Browse entries in the PDBbind-CN Database
HEADER 3DIW_COMPLEX COMPND 3DIW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 PRO VAL THR ALA VAL VAL GLN ARG VAL GLU ILE HIS LYS SEQRES 2 A 108 LEU ARG GLN GLY GLU ASN LEU ILE LEU GLY PHE SER ILE SEQRES 3 A 108 GLY GLY GLY ILE ASP GLN ASP PRO SER GLN ASN PRO PHE SEQRES 4 A 108 SER GLU ASP LYS THR ASP LYS GLY ILE TYR VAL THR ARG SEQRES 5 A 108 VAL SER GLU GLY GLY PRO ALA GLU ILE ALA GLY LEU GLN SEQRES 6 A 108 ILE GLY ASP LYS ILE MET GLN VAL ASN GLY TRP ASP MET SEQRES 7 A 108 THR MET VAL THR HIS ASP GLN ALA ARG LYS ARG LEU THR SEQRES 8 A 108 LYS ARG SER GLU GLU VAL VAL ARG LEU LEU VAL THR ARG SEQRES 9 A 108 GLN SER LEU GLN HET GLN A 186 150 ATOM 1 N PRO A 8 -0.169 8.445 -14.446 1.00 48.58 N ATOM 2 CA PRO A 8 -1.460 7.885 -13.954 1.00 48.30 C ATOM 3 C PRO A 8 -1.211 6.548 -13.257 1.00 47.64 C ATOM 4 O PRO A 8 -0.437 5.719 -13.741 1.00 49.13 O ATOM 5 CB PRO A 8 -2.425 7.712 -15.118 1.00 48.85 C ATOM 6 HA PRO A 8 -1.904 8.574 -13.236 1.00 0.00 H ATOM 7 HN3 PRO A 8 0.262 7.780 -15.120 1.00 0.00 H ATOM 8 HN2 PRO A 8 0.474 8.590 -13.641 1.00 0.00 H ATOM 9 HN1 PRO A 8 -0.345 9.354 -14.919 1.00 0.00 H ATOM 10 HB2 PRO A 8 -2.606 8.680 -15.585 1.00 0.00 H ATOM 11 HB3 PRO A 8 -1.991 7.030 -15.849 1.00 0.00 H ATOM 12 N VAL A 9 -1.883 6.336 -12.130 1.00 45.87 N ATOM 13 CA VAL A 9 -1.693 5.120 -11.349 1.00 43.73 C ATOM 14 C VAL A 9 -2.811 4.083 -11.365 1.00 41.56 C ATOM 15 O VAL A 9 -3.939 4.366 -10.962 1.00 42.87 O ATOM 16 CB VAL A 9 -1.420 5.472 -9.881 1.00 43.65 C ATOM 17 CG1 VAL A 9 -0.060 6.113 -9.749 1.00 44.54 C ATOM 18 CG2 VAL A 9 -2.493 6.416 -9.377 1.00 44.50 C ATOM 19 HA VAL A 9 -0.850 4.648 -11.854 1.00 0.00 H ATOM 20 HB VAL A 9 -1.437 4.561 -9.283 1.00 0.00 H ATOM 21 HG11 VAL A 9 0.703 5.418 -10.100 1.00 0.00 H ATOM 22 HG12 VAL A 9 -0.029 7.023 -10.349 1.00 0.00 H ATOM 23 HG13 VAL A 9 0.124 6.359 -8.703 1.00 0.00 H ATOM 24 HG21 VAL A 9 -2.485 7.327 -9.976 1.00 0.00 H ATOM 25 HG22 VAL A 9 -3.467 5.934 -9.460 1.00 0.00 H ATOM 26 HG23 VAL A 9 -2.296 6.664 -8.334 1.00 0.00 H ATOM 27 H VAL A 9 -2.559 7.053 -11.798 1.00 0.00 H ATOM 28 N THR A 10 -2.481 2.877 -11.822 1.00 38.28 N ATOM 29 CA THR A 10 -3.431 1.766 -11.852 1.00 34.73 C ATOM 30 C THR A 10 -2.853 0.672 -10.969 1.00 30.87 C ATOM 31 O THR A 10 -1.833 0.066 -11.299 1.00 29.72 O ATOM 32 CB THR A 10 -3.627 1.197 -13.272 1.00 35.64 C ATOM 33 OG1 THR A 10 -4.182 2.207 -14.120 1.00 35.90 O ATOM 34 CG2 THR A 10 -4.573 -0.003 -13.237 1.00 34.21 C ATOM 35 HA THR A 10 -4.403 2.120 -11.508 1.00 0.00 H ATOM 36 HB THR A 10 -2.659 0.878 -13.658 1.00 0.00 H ATOM 37 HG1 THR A 10 -3.566 2.981 -14.157 1.00 0.00 H ATOM 38 HG23 THR A 10 -4.154 -0.775 -12.592 1.00 0.00 H ATOM 39 HG21 THR A 10 -5.542 0.311 -12.848 1.00 0.00 H ATOM 40 HG22 THR A 10 -4.695 -0.397 -14.246 1.00 0.00 H ATOM 41 H THR A 10 -1.514 2.720 -12.170 1.00 0.00 H ATOM 42 N ALA A 11 -3.503 0.427 -9.840 1.00 27.32 N ATOM 43 CA ALA A 11 -3.036 -0.584 -8.899 1.00 23.71 C ATOM 44 C ALA A 11 -3.561 -1.979 -9.203 1.00 20.63 C ATOM 45 O ALA A 11 -4.736 -2.156 -9.526 1.00 18.52 O ATOM 46 CB ALA A 11 -3.432 -0.189 -7.477 1.00 23.55 C ATOM 47 HA ALA A 11 -1.951 -0.625 -8.999 1.00 0.00 H ATOM 48 HB1 ALA A 11 -2.980 0.771 -7.229 1.00 0.00 H ATOM 49 HB2 ALA A 11 -4.517 -0.109 -7.412 1.00 0.00 H ATOM 50 HB3 ALA A 11 -3.080 -0.949 -6.779 1.00 0.00 H ATOM 51 H ALA A 11 -4.364 0.967 -9.621 1.00 0.00 H ATOM 52 N VAL A 12 -2.679 -2.969 -9.103 1.00 19.06 N ATOM 53 CA VAL A 12 -3.069 -4.355 -9.321 1.00 17.70 C ATOM 54 C VAL A 12 -3.436 -4.890 -7.942 1.00 18.99 C ATOM 55 O VAL A 12 -2.600 -4.904 -7.034 1.00 19.15 O ATOM 56 CB VAL A 12 -1.913 -5.197 -9.905 1.00 15.73 C ATOM 57 CG1 VAL A 12 -2.311 -6.659 -9.958 1.00 15.67 C ATOM 58 CG2 VAL A 12 -1.562 -4.708 -11.297 1.00 16.82 C ATOM 59 HA VAL A 12 -3.889 -4.414 -10.037 1.00 0.00 H ATOM 60 HB VAL A 12 -1.040 -5.089 -9.261 1.00 0.00 H ATOM 61 HG11 VAL A 12 -2.537 -7.009 -8.951 1.00 0.00 H ATOM 62 HG12 VAL A 12 -3.192 -6.772 -10.590 1.00 0.00 H ATOM 63 HG13 VAL A 12 -1.489 -7.243 -10.371 1.00 0.00 H ATOM 64 HG21 VAL A 12 -2.434 -4.800 -11.944 1.00 0.00 H ATOM 65 HG22 VAL A 12 -1.254 -3.664 -11.247 1.00 0.00 H ATOM 66 HG23 VAL A 12 -0.746 -5.310 -11.697 1.00 0.00 H ATOM 67 H VAL A 12 -1.691 -2.749 -8.864 1.00 0.00 H ATOM 68 N VAL A 13 -4.691 -5.301 -7.777 1.00 19.03 N ATOM 69 CA VAL A 13 -5.143 -5.826 -6.497 1.00 16.93 C ATOM 70 C VAL A 13 -5.374 -7.326 -6.539 1.00 18.01 C ATOM 71 O VAL A 13 -5.774 -7.890 -7.562 1.00 17.56 O ATOM 72 CB VAL A 13 -6.454 -5.146 -6.020 1.00 17.22 C ATOM 73 CG1 VAL A 13 -6.241 -3.650 -5.889 1.00 17.92 C ATOM 74 CG2 VAL A 13 -7.591 -5.445 -6.988 1.00 18.16 C ATOM 75 HA VAL A 13 -4.339 -5.605 -5.795 1.00 0.00 H ATOM 76 HB VAL A 13 -6.726 -5.547 -5.044 1.00 0.00 H ATOM 77 HG11 VAL A 13 -5.451 -3.459 -5.163 1.00 0.00 H ATOM 78 HG12 VAL A 13 -5.953 -3.239 -6.857 1.00 0.00 H ATOM 79 HG13 VAL A 13 -7.166 -3.181 -5.554 1.00 0.00 H ATOM 80 HG21 VAL A 13 -7.334 -5.066 -7.977 1.00 0.00 H ATOM 81 HG22 VAL A 13 -7.748 -6.522 -7.040 1.00 0.00 H ATOM 82 HG23 VAL A 13 -8.502 -4.960 -6.637 1.00 0.00 H ATOM 83 H VAL A 13 -5.358 -5.246 -8.573 1.00 0.00 H ATOM 84 N GLN A 14 -5.101 -7.971 -5.415 1.00 17.36 N ATOM 85 CA GLN A 14 -5.299 -9.402 -5.294 1.00 19.28 C ATOM 86 C GLN A 14 -5.787 -9.691 -3.891 1.00 19.39 C ATOM 87 O GLN A 14 -5.639 -8.869 -2.981 1.00 19.21 O ATOM 88 CB GLN A 14 -4.002 -10.152 -5.583 1.00 18.55 C ATOM 89 CG GLN A 14 -2.843 -9.726 -4.733 1.00 20.37 C ATOM 90 CD GLN A 14 -1.556 -10.363 -5.189 1.00 21.06 C ATOM 91 OE1 GLN A 14 -1.356 -11.571 -5.036 1.00 23.54 O ATOM 92 NE2 GLN A 14 -0.678 -9.559 -5.772 1.00 17.40 N ATOM 93 HA GLN A 14 -6.037 -9.741 -6.021 1.00 0.00 H ATOM 94 HB2 GLN A 14 -4.177 -11.215 -5.415 1.00 0.00 H ATOM 95 HB3 GLN A 14 -3.738 -9.989 -6.628 1.00 0.00 H ATOM 96 HG2 GLN A 14 -2.741 -8.642 -4.791 1.00 0.00 H ATOM 97 HG3 GLN A 14 -3.036 -10.017 -3.700 1.00 0.00 H ATOM 98 HE22 GLN A 14 -0.891 -8.547 -5.879 1.00 0.00 H ATOM 99 HE21 GLN A 14 0.224 -9.941 -6.123 1.00 0.00 H ATOM 100 H GLN A 14 -4.736 -7.438 -4.600 1.00 0.00 H ATOM 101 N ARG A 15 -6.359 -10.867 -3.709 1.00 19.66 N ATOM 102 CA ARG A 15 -6.912 -11.214 -2.421 1.00 20.24 C ATOM 103 C ARG A 15 -6.042 -12.115 -1.565 1.00 18.02 C ATOM 104 O ARG A 15 -5.250 -12.902 -2.065 1.00 17.66 O ATOM 105 CB ARG A 15 -8.280 -11.826 -2.655 1.00 24.45 C ATOM 106 CG ARG A 15 -9.028 -11.030 -3.707 1.00 31.28 C ATOM 107 CD ARG A 15 -10.419 -11.543 -3.935 1.00 38.78 C ATOM 108 NE ARG A 15 -10.398 -12.878 -4.517 1.00 42.90 N ATOM 109 CZ ARG A 15 -11.021 -13.202 -5.643 1.00 45.69 C ATOM 110 NH1 ARG A 15 -10.948 -14.444 -6.103 1.00 46.50 N ATOM 111 NH2 ARG A 15 -11.713 -12.284 -6.309 1.00 47.54 N ATOM 112 HA ARG A 15 -6.978 -10.296 -1.837 1.00 0.00 H ATOM 113 HB2 ARG A 15 -8.163 -12.855 -2.995 1.00 0.00 H ATOM 114 HB3 ARG A 15 -8.845 -11.815 -1.723 1.00 0.00 H ATOM 115 HG2 ARG A 15 -9.087 -9.991 -3.383 1.00 0.00 H ATOM 116 HG3 ARG A 15 -8.476 -11.086 -4.646 1.00 0.00 H ATOM 117 HD2 ARG A 15 -10.941 -10.867 -4.613 1.00 0.00 H ATOM 118 HD3 ARG A 15 -10.946 -11.578 -2.982 1.00 0.00 H ATOM 119 HE ARG A 15 -9.864 -13.620 -4.022 1.00 0.00 H ATOM 120 HH12 ARG A 15 -11.435 -14.701 -6.985 1.00 0.00 H ATOM 121 HH11 ARG A 15 -10.404 -15.161 -5.582 1.00 0.00 H ATOM 122 HH22 ARG A 15 -12.201 -12.539 -7.191 1.00 0.00 H ATOM 123 HH21 ARG A 15 -11.767 -11.310 -5.948 1.00 0.00 H ATOM 124 H ARG A 15 -6.411 -11.545 -4.496 1.00 0.00 H ATOM 125 N VAL A 16 -6.188 -11.954 -0.259 1.00 17.33 N ATOM 126 CA VAL A 16 -5.453 -12.734 0.718 1.00 16.34 C ATOM 127 C VAL A 16 -6.433 -12.985 1.846 1.00 17.48 C ATOM 128 O VAL A 16 -6.929 -12.038 2.449 1.00 18.82 O ATOM 129 CB VAL A 16 -4.255 -11.952 1.294 1.00 15.98 C ATOM 130 CG1 VAL A 16 -3.529 -12.808 2.330 1.00 12.38 C ATOM 131 CG2 VAL A 16 -3.311 -11.542 0.177 1.00 15.72 C ATOM 132 HA VAL A 16 -5.064 -13.643 0.259 1.00 0.00 H ATOM 133 HB VAL A 16 -4.618 -11.048 1.782 1.00 0.00 H ATOM 134 HG11 VAL A 16 -4.217 -13.061 3.137 1.00 0.00 H ATOM 135 HG12 VAL A 16 -3.170 -13.722 1.857 1.00 0.00 H ATOM 136 HG13 VAL A 16 -2.684 -12.250 2.733 1.00 0.00 H ATOM 137 HG21 VAL A 16 -2.945 -12.433 -0.333 1.00 0.00 H ATOM 138 HG22 VAL A 16 -3.843 -10.909 -0.533 1.00 0.00 H ATOM 139 HG23 VAL A 16 -2.470 -10.991 0.598 1.00 0.00 H ATOM 140 H VAL A 16 -6.859 -11.236 0.081 1.00 0.00 H ATOM 141 N GLU A 17 -6.731 -14.251 2.112 1.00 17.49 N ATOM 142 CA GLU A 17 -7.648 -14.597 3.187 1.00 17.01 C ATOM 143 C GLU A 17 -6.844 -15.140 4.338 1.00 14.85 C ATOM 144 O GLU A 17 -6.131 -16.126 4.189 1.00 15.73 O ATOM 145 CB GLU A 17 -8.653 -15.653 2.738 1.00 19.38 C ATOM 146 CG GLU A 17 -9.671 -15.139 1.761 1.00 26.91 C ATOM 147 CD GLU A 17 -10.852 -16.070 1.627 1.00 30.39 C ATOM 148 OE1 GLU A 17 -11.769 -15.738 0.845 1.00 34.43 O ATOM 149 OE2 GLU A 17 -10.863 -17.124 2.304 1.00 31.09 O ATOM 150 HA GLU A 17 -8.201 -13.705 3.481 1.00 0.00 H ATOM 151 HB2 GLU A 17 -8.107 -16.471 2.268 1.00 0.00 H ATOM 152 HB3 GLU A 17 -9.177 -16.026 3.618 1.00 0.00 H ATOM 153 HG2 GLU A 17 -10.027 -14.167 2.103 1.00 0.00 H ATOM 154 HG3 GLU A 17 -9.198 -15.029 0.785 1.00 0.00 H ATOM 155 H GLU A 17 -6.302 -15.008 1.542 1.00 0.00 H ATOM 156 N ILE A 18 -6.966 -14.493 5.487 1.00 13.73 N ATOM 157 CA ILE A 18 -6.236 -14.906 6.670 1.00 12.79 C ATOM 158 C ILE A 18 -7.182 -15.540 7.689 1.00 15.82 C ATOM 159 O ILE A 18 -8.282 -15.028 7.939 1.00 12.66 O ATOM 160 CB ILE A 18 -5.536 -13.697 7.334 1.00 12.95 C ATOM 161 CG1 ILE A 18 -4.731 -12.916 6.291 1.00 12.30 C ATOM 162 CG2 ILE A 18 -4.624 -14.176 8.459 1.00 12.44 C ATOM 163 CD1 ILE A 18 -4.062 -11.671 6.850 1.00 13.57 C ATOM 164 HA ILE A 18 -5.488 -15.634 6.357 1.00 0.00 H ATOM 165 HB ILE A 18 -6.293 -13.036 7.755 1.00 0.00 H ATOM 166 HG12 ILE A 18 -3.959 -13.572 5.889 1.00 0.00 H ATOM 167 HG13 ILE A 18 -5.405 -12.615 5.489 1.00 0.00 H ATOM 168 HD11 ILE A 18 -4.823 -10.999 7.247 1.00 0.00 H ATOM 169 HD12 ILE A 18 -3.375 -11.956 7.647 1.00 0.00 H ATOM 170 HD13 ILE A 18 -3.510 -11.169 6.055 1.00 0.00 H ATOM 171 HG21 ILE A 18 -5.217 -14.703 9.206 1.00 0.00 H ATOM 172 HG22 ILE A 18 -3.869 -14.849 8.052 1.00 0.00 H ATOM 173 HG23 ILE A 18 -4.136 -13.317 8.920 1.00 0.00 H ATOM 174 H ILE A 18 -7.600 -13.670 5.542 1.00 0.00 H ATOM 175 N HIS A 19 -6.754 -16.664 8.256 1.00 15.54 N ATOM 176 CA HIS A 19 -7.540 -17.350 9.269 1.00 17.96 C ATOM 177 C HIS A 19 -6.873 -17.066 10.610 1.00 17.34 C ATOM 178 O HIS A 19 -5.792 -17.579 10.904 1.00 19.66 O ATOM 179 CB HIS A 19 -7.576 -18.853 9.001 1.00 20.28 C ATOM 180 CG HIS A 19 -8.403 -19.235 7.814 1.00 22.11 C ATOM 181 ND1 HIS A 19 -8.113 -18.811 6.534 1.00 24.30 N ATOM 182 CD2 HIS A 19 -9.519 -19.998 7.714 1.00 25.20 C ATOM 183 CE1 HIS A 19 -9.014 -19.297 5.697 1.00 25.06 C ATOM 184 NE2 HIS A 19 -9.878 -20.020 6.387 1.00 24.90 N ATOM 185 HA HIS A 19 -8.571 -16.998 9.261 1.00 0.00 H ATOM 186 HB2 HIS A 19 -6.555 -19.197 8.834 1.00 0.00 H ATOM 187 HB3 HIS A 19 -7.986 -19.349 9.880 1.00 0.00 H ATOM 188 HD2 HIS A 19 -10.035 -20.500 8.532 1.00 0.00 H ATOM 189 HE1 HIS A 19 -9.040 -19.129 4.620 1.00 0.00 H ATOM 190 H HIS A 19 -5.837 -17.061 7.969 1.00 0.00 H ATOM 191 N LYS A 20 -7.508 -16.228 11.414 1.00 18.78 N ATOM 192 CA LYS A 20 -6.952 -15.862 12.700 1.00 21.35 C ATOM 193 C LYS A 20 -6.635 -17.059 13.573 1.00 22.71 C ATOM 194 O LYS A 20 -7.236 -18.124 13.442 1.00 21.60 O ATOM 195 CB LYS A 20 -7.910 -14.925 13.433 1.00 23.23 C ATOM 196 CG LYS A 20 -8.232 -13.666 12.650 1.00 26.12 C ATOM 197 CD LYS A 20 -9.034 -12.665 13.485 1.00 25.95 C ATOM 198 CE LYS A 20 -9.398 -11.441 12.650 1.00 28.27 C ATOM 199 NZ LYS A 20 -10.146 -10.386 13.392 1.00 26.87 N ATOM 200 HA LYS A 20 -6.007 -15.356 12.502 1.00 0.00 H ATOM 201 HB2 LYS A 20 -8.840 -15.461 13.625 1.00 0.00 H ATOM 202 HB3 LYS A 20 -7.455 -14.637 14.381 1.00 0.00 H ATOM 203 HG2 LYS A 20 -7.299 -13.197 12.337 1.00 0.00 H ATOM 204 HG3 LYS A 20 -8.814 -13.937 11.769 1.00 0.00 H ATOM 205 HD2 LYS A 20 -9.948 -13.143 13.838 1.00 0.00 H ATOM 206 HD3 LYS A 20 -8.436 -12.351 14.340 1.00 0.00 H ATOM 207 HE2 LYS A 20 -10.014 -11.770 11.813 1.00 0.00 H ATOM 208 HE3 LYS A 20 -8.476 -11.001 12.270 1.00 0.00 H ATOM 209 HZ1 LYS A 20 -11.037 -10.783 13.752 1.00 0.00 H ATOM 210 HZ2 LYS A 20 -9.569 -10.049 14.188 1.00 0.00 H ATOM 211 HZ3 LYS A 20 -10.352 -9.593 12.751 1.00 0.00 H ATOM 212 H LYS A 20 -8.420 -15.826 11.118 1.00 0.00 H ATOM 213 N LEU A 21 -5.670 -16.866 14.461 1.00 23.07 N ATOM 214 CA LEU A 21 -5.252 -17.897 15.392 1.00 24.08 C ATOM 215 C LEU A 21 -5.871 -17.515 16.728 1.00 24.84 C ATOM 216 O LEU A 21 -5.660 -16.404 17.209 1.00 24.24 O ATOM 217 CB LEU A 21 -3.723 -17.908 15.514 1.00 22.38 C ATOM 218 CG LEU A 21 -3.027 -19.083 16.219 1.00 24.98 C ATOM 219 CD1 LEU A 21 -1.547 -18.776 16.379 1.00 20.05 C ATOM 220 CD2 LEU A 21 -3.655 -19.335 17.573 1.00 24.15 C ATOM 221 HA LEU A 21 -5.565 -18.888 15.064 1.00 0.00 H ATOM 222 HB2 LEU A 21 -3.324 -17.865 14.501 1.00 0.00 H ATOM 223 HB3 LEU A 21 -3.441 -17.003 16.053 1.00 0.00 H ATOM 224 HG LEU A 21 -3.146 -19.981 15.612 1.00 0.00 H ATOM 225 HD21 LEU A 21 -3.556 -18.442 18.190 1.00 0.00 H ATOM 226 HD22 LEU A 21 -4.711 -19.574 17.444 1.00 0.00 H ATOM 227 HD23 LEU A 21 -3.149 -20.170 18.057 1.00 0.00 H ATOM 228 HD11 LEU A 21 -1.100 -18.626 15.396 1.00 0.00 H ATOM 229 HD12 LEU A 21 -1.427 -17.872 16.976 1.00 0.00 H ATOM 230 HD13 LEU A 21 -1.056 -19.611 16.879 1.00 0.00 H ATOM 231 H LEU A 21 -5.195 -15.941 14.491 1.00 0.00 H ATOM 232 N ARG A 22 -6.651 -18.415 17.317 1.00 27.38 N ATOM 233 CA ARG A 22 -7.260 -18.133 18.611 1.00 31.53 C ATOM 234 C ARG A 22 -6.542 -18.878 19.725 1.00 33.28 C ATOM 235 O ARG A 22 -6.750 -20.079 19.913 1.00 33.46 O ATOM 236 CB ARG A 22 -8.748 -18.520 18.632 1.00 34.06 C ATOM 237 CG ARG A 22 -9.663 -17.647 17.770 1.00 38.35 C ATOM 238 CD ARG A 22 -11.147 -17.996 17.975 1.00 39.42 C ATOM 239 NE ARG A 22 -12.014 -17.201 17.106 1.00 41.92 N ATOM 240 CZ ARG A 22 -12.409 -15.953 17.350 1.00 43.30 C ATOM 241 NH1 ARG A 22 -12.032 -15.326 18.457 1.00 42.45 N ATOM 242 NH2 ARG A 22 -13.172 -15.319 16.466 1.00 44.91 N ATOM 243 HA ARG A 22 -7.171 -17.059 18.773 1.00 0.00 H ATOM 244 HB2 ARG A 22 -8.834 -19.548 18.280 1.00 0.00 H ATOM 245 HB3 ARG A 22 -9.097 -18.460 19.663 1.00 0.00 H ATOM 246 HG2 ARG A 22 -9.506 -16.602 18.036 1.00 0.00 H ATOM 247 HG3 ARG A 22 -9.407 -17.796 16.721 1.00 0.00 H ATOM 248 HD2 ARG A 22 -11.415 -17.804 19.014 1.00 0.00 H ATOM 249 HD3 ARG A 22 -11.296 -19.053 17.752 1.00 0.00 H ATOM 250 HE ARG A 22 -12.349 -17.646 16.228 1.00 0.00 H ATOM 251 HH12 ARG A 22 -12.347 -14.351 18.636 1.00 0.00 H ATOM 252 HH11 ARG A 22 -11.421 -15.809 19.146 1.00 0.00 H ATOM 253 HH22 ARG A 22 -13.483 -14.344 16.652 1.00 0.00 H ATOM 254 HH21 ARG A 22 -13.458 -15.798 15.588 1.00 0.00 H ATOM 255 H ARG A 22 -6.828 -19.328 16.851 1.00 0.00 H ATOM 256 N GLN A 23 -5.683 -18.167 20.448 1.00 35.08 N ATOM 257 CA GLN A 23 -4.968 -18.750 21.573 1.00 37.06 C ATOM 258 C GLN A 23 -5.687 -18.248 22.808 1.00 39.13 C ATOM 259 O GLN A 23 -5.301 -17.238 23.400 1.00 40.00 O ATOM 260 CB GLN A 23 -3.508 -18.296 21.591 1.00 38.10 C ATOM 261 CG GLN A 23 -2.648 -18.993 20.555 1.00 40.16 C ATOM 262 CD GLN A 23 -2.488 -20.479 20.830 1.00 40.97 C ATOM 263 OE1 GLN A 23 -1.769 -20.875 21.747 1.00 43.38 O ATOM 264 NE2 GLN A 23 -3.166 -21.309 20.043 1.00 39.81 N ATOM 265 HA GLN A 23 -4.956 -19.838 21.516 1.00 0.00 H ATOM 266 HB2 GLN A 23 -3.477 -17.223 21.401 1.00 0.00 H ATOM 267 HB3 GLN A 23 -3.094 -18.501 22.578 1.00 0.00 H ATOM 268 HG2 GLN A 23 -3.110 -18.867 19.576 1.00 0.00 H ATOM 269 HG3 GLN A 23 -1.661 -18.530 20.552 1.00 0.00 H ATOM 270 HE22 GLN A 23 -3.762 -20.931 19.279 1.00 0.00 H ATOM 271 HE21 GLN A 23 -3.100 -22.336 20.191 1.00 0.00 H ATOM 272 H GLN A 23 -5.518 -17.170 20.204 1.00 0.00 H ATOM 273 N GLY A 24 -6.750 -18.953 23.181 1.00 40.82 N ATOM 274 CA GLY A 24 -7.532 -18.553 24.333 1.00 43.07 C ATOM 275 C GLY A 24 -8.314 -17.292 24.017 1.00 44.85 C ATOM 276 O GLY A 24 -9.201 -17.295 23.162 1.00 45.88 O ATOM 277 HA3 GLY A 24 -6.865 -18.363 25.174 1.00 0.00 H ATOM 278 HA2 GLY A 24 -8.226 -19.352 24.594 1.00 0.00 H ATOM 279 H GLY A 24 -7.023 -19.799 22.641 1.00 0.00 H ATOM 280 N GLU A 25 -7.977 -16.211 24.712 1.00 46.10 N ATOM 281 CA GLU A 25 -8.629 -14.919 24.523 1.00 47.40 C ATOM 282 C GLU A 25 -7.666 -14.050 23.719 1.00 47.16 C ATOM 283 O GLU A 25 -7.758 -12.820 23.723 1.00 48.16 O ATOM 284 CB GLU A 25 -8.872 -14.265 25.881 1.00 48.11 C ATOM 285 CG GLU A 25 -7.572 -13.870 26.575 1.00 52.00 C ATOM 286 CD GLU A 25 -7.753 -13.521 28.038 1.00 54.28 C ATOM 287 OE1 GLU A 25 -8.536 -12.594 28.343 1.00 54.43 O ATOM 288 OE2 GLU A 25 -7.104 -14.175 28.885 1.00 56.02 O ATOM 289 HA GLU A 25 -9.584 -15.036 24.011 1.00 0.00 H ATOM 290 HB2 GLU A 25 -9.478 -13.371 25.736 1.00 0.00 H ATOM 291 HB3 GLU A 25 -9.410 -14.968 26.517 1.00 0.00 H ATOM 292 HG2 GLU A 25 -6.874 -14.704 26.502 1.00 0.00 H ATOM 293 HG3 GLU A 25 -7.155 -13.003 26.062 1.00 0.00 H ATOM 294 H GLU A 25 -7.218 -16.289 25.419 1.00 0.00 H ATOM 295 N ASN A 26 -6.739 -14.701 23.031 1.00 45.92 N ATOM 296 CA ASN A 26 -5.736 -13.992 22.252 1.00 43.07 C ATOM 297 C ASN A 26 -5.873 -14.292 20.757 1.00 40.17 C ATOM 298 O ASN A 26 -5.435 -15.345 20.300 1.00 39.29 O ATOM 299 CB ASN A 26 -4.352 -14.407 22.771 1.00 44.99 C ATOM 300 CG ASN A 26 -3.268 -13.395 22.454 1.00 46.59 C ATOM 301 OD1 ASN A 26 -3.543 -12.214 22.238 1.00 49.40 O ATOM 302 ND2 ASN A 26 -2.021 -13.851 22.452 1.00 46.51 N ATOM 303 HA ASN A 26 -5.874 -12.917 22.368 1.00 0.00 H ATOM 304 HB2 ASN A 26 -4.409 -14.527 23.853 1.00 0.00 H ATOM 305 HB3 ASN A 26 -4.082 -15.359 22.315 1.00 0.00 H ATOM 306 HD22 ASN A 26 -1.835 -14.857 22.640 1.00 0.00 H ATOM 307 HD21 ASN A 26 -1.230 -13.202 22.263 1.00 0.00 H ATOM 308 H ASN A 26 -6.729 -15.741 23.048 1.00 0.00 H ATOM 309 N LEU A 27 -6.501 -13.380 20.010 1.00 36.96 N ATOM 310 CA LEU A 27 -6.666 -13.541 18.560 1.00 33.46 C ATOM 311 C LEU A 27 -5.460 -12.934 17.853 1.00 29.81 C ATOM 312 O LEU A 27 -5.087 -11.790 18.118 1.00 30.34 O ATOM 313 CB LEU A 27 -7.947 -12.866 18.064 1.00 35.88 C ATOM 314 CG LEU A 27 -9.237 -13.675 18.241 1.00 39.03 C ATOM 315 CD1 LEU A 27 -9.560 -13.806 19.729 1.00 37.98 C ATOM 316 CD2 LEU A 27 -10.382 -12.995 17.491 1.00 37.40 C ATOM 317 HA LEU A 27 -6.741 -14.605 18.336 1.00 0.00 H ATOM 318 HB2 LEU A 27 -8.063 -11.928 18.606 1.00 0.00 H ATOM 319 HB3 LEU A 27 -7.826 -12.657 17.001 1.00 0.00 H ATOM 320 HG LEU A 27 -9.103 -14.674 17.827 1.00 0.00 H ATOM 321 HD21 LEU A 27 -10.529 -11.990 17.888 1.00 0.00 H ATOM 322 HD22 LEU A 27 -10.136 -12.936 16.431 1.00 0.00 H ATOM 323 HD23 LEU A 27 -11.295 -13.575 17.621 1.00 0.00 H ATOM 324 HD11 LEU A 27 -8.740 -14.316 20.234 1.00 0.00 H ATOM 325 HD12 LEU A 27 -9.692 -12.813 20.160 1.00 0.00 H ATOM 326 HD13 LEU A 27 -10.478 -14.382 19.851 1.00 0.00 H ATOM 327 H LEU A 27 -6.885 -12.530 20.470 1.00 0.00 H ATOM 328 N ILE A 28 -4.864 -13.696 16.943 1.00 24.45 N ATOM 329 CA ILE A 28 -3.662 -13.254 16.246 1.00 20.43 C ATOM 330 C ILE A 28 -3.741 -13.365 14.724 1.00 18.36 C ATOM 331 O ILE A 28 -4.244 -14.353 14.193 1.00 17.43 O ATOM 332 CB ILE A 28 -2.457 -14.076 16.740 1.00 18.51 C ATOM 333 CG1 ILE A 28 -2.414 -14.041 18.271 1.00 20.52 C ATOM 334 CG2 ILE A 28 -1.166 -13.531 16.150 1.00 21.18 C ATOM 335 CD1 ILE A 28 -1.466 -15.036 18.897 1.00 18.63 C ATOM 336 HA ILE A 28 -3.553 -12.194 16.476 1.00 0.00 H ATOM 337 HB ILE A 28 -2.564 -15.110 16.412 1.00 0.00 H ATOM 338 HG12 ILE A 28 -2.110 -13.041 18.580 1.00 0.00 H ATOM 339 HG13 ILE A 28 -3.417 -14.246 18.644 1.00 0.00 H ATOM 340 HD11 ILE A 28 -1.761 -16.046 18.612 1.00 0.00 H ATOM 341 HD12 ILE A 28 -0.452 -14.840 18.547 1.00 0.00 H ATOM 342 HD13 ILE A 28 -1.503 -14.938 19.982 1.00 0.00 H ATOM 343 HG21 ILE A 28 -1.213 -13.587 15.062 1.00 0.00 H ATOM 344 HG22 ILE A 28 -1.038 -12.493 16.456 1.00 0.00 H ATOM 345 HG23 ILE A 28 -0.325 -14.124 16.510 1.00 0.00 H ATOM 346 H ILE A 28 -5.264 -14.630 16.722 1.00 0.00 H ATOM 347 N LEU A 29 -3.233 -12.345 14.034 1.00 16.39 N ATOM 348 CA LEU A 29 -3.215 -12.323 12.568 1.00 16.58 C ATOM 349 C LEU A 29 -1.796 -12.586 12.067 1.00 15.17 C ATOM 350 O LEU A 29 -1.598 -13.119 10.976 1.00 14.29 O ATOM 351 CB LEU A 29 -3.696 -10.971 12.038 1.00 16.58 C ATOM 352 CG LEU A 29 -5.167 -10.655 12.283 1.00 16.73 C ATOM 353 CD1 LEU A 29 -5.504 -9.270 11.753 1.00 19.98 C ATOM 354 CD2 LEU A 29 -6.004 -11.698 11.587 1.00 20.39 C ATOM 355 HA LEU A 29 -3.887 -13.101 12.205 1.00 0.00 H ATOM 356 HB2 LEU A 29 -3.101 -10.192 12.515 1.00 0.00 H ATOM 357 HB3 LEU A 29 -3.523 -10.951 10.962 1.00 0.00 H ATOM 358 HG LEU A 29 -5.374 -10.668 13.353 1.00 0.00 H ATOM 359 HD21 LEU A 29 -5.792 -11.678 10.518 1.00 0.00 H ATOM 360 HD22 LEU A 29 -5.763 -12.682 11.988 1.00 0.00 H ATOM 361 HD23 LEU A 29 -7.060 -11.485 11.753 1.00 0.00 H ATOM 362 HD11 LEU A 29 -4.890 -8.528 12.263 1.00 0.00 H ATOM 363 HD12 LEU A 29 -5.305 -9.234 10.682 1.00 0.00 H ATOM 364 HD13 LEU A 29 -6.558 -9.059 11.935 1.00 0.00 H ATOM 365 H LEU A 29 -2.835 -11.536 14.553 1.00 0.00 H ATOM 366 N GLY A 30 -0.813 -12.200 12.873 1.00 14.90 N ATOM 367 CA GLY A 30 0.570 -12.428 12.508 1.00 13.07 C ATOM 368 C GLY A 30 1.164 -11.464 11.499 1.00 13.25 C ATOM 369 O GLY A 30 1.878 -11.879 10.589 1.00 15.17 O ATOM 370 HA3 GLY A 30 0.643 -13.433 12.091 1.00 0.00 H ATOM 371 HA2 GLY A 30 1.168 -12.369 13.417 1.00 0.00 H ATOM 372 H GLY A 30 -1.038 -11.730 13.773 1.00 0.00 H ATOM 373 N PHE A 31 0.865 -10.180 11.638 1.00 13.05 N ATOM 374 CA PHE A 31 1.438 -9.186 10.743 1.00 14.64 C ATOM 375 C PHE A 31 1.287 -7.799 11.342 1.00 14.55 C ATOM 376 O PHE A 31 0.422 -7.571 12.193 1.00 13.78 O ATOM 377 CB PHE A 31 0.834 -9.291 9.322 1.00 12.65 C ATOM 378 CG PHE A 31 -0.533 -8.677 9.161 1.00 12.92 C ATOM 379 CD1 PHE A 31 -0.674 -7.329 8.817 1.00 12.11 C ATOM 380 CD2 PHE A 31 -1.677 -9.460 9.275 1.00 12.17 C ATOM 381 CE1 PHE A 31 -1.936 -6.775 8.582 1.00 11.83 C ATOM 382 CE2 PHE A 31 -2.947 -8.917 9.045 1.00 11.51 C ATOM 383 CZ PHE A 31 -3.077 -7.573 8.695 1.00 11.62 C ATOM 384 HA PHE A 31 2.505 -9.382 10.633 1.00 0.00 H ATOM 385 HB2 PHE A 31 1.512 -8.793 8.629 1.00 0.00 H ATOM 386 HB3 PHE A 31 0.763 -10.347 9.062 1.00 0.00 H ATOM 387 HD2 PHE A 31 -1.584 -10.511 9.547 1.00 0.00 H ATOM 388 HE2 PHE A 31 -3.833 -9.544 9.139 1.00 0.00 H ATOM 389 HZ PHE A 31 -4.064 -7.148 8.511 1.00 0.00 H ATOM 390 HE1 PHE A 31 -2.029 -5.723 8.311 1.00 0.00 H ATOM 391 HD1 PHE A 31 0.213 -6.701 8.731 1.00 0.00 H ATOM 392 H PHE A 31 0.215 -9.881 12.393 1.00 0.00 H ATOM 393 N SER A 32 2.162 -6.889 10.919 1.00 13.09 N ATOM 394 CA SER A 32 2.167 -5.521 11.419 1.00 11.86 C ATOM 395 C SER A 32 1.746 -4.522 10.344 1.00 11.53 C ATOM 396 O SER A 32 2.038 -4.712 9.162 1.00 10.38 O ATOM 397 CB SER A 32 3.570 -5.166 11.931 1.00 12.89 C ATOM 398 OG SER A 32 4.026 -6.112 12.889 1.00 14.29 O ATOM 399 HA SER A 32 1.444 -5.460 12.232 1.00 0.00 H ATOM 400 HB2 SER A 32 3.540 -4.179 12.393 1.00 0.00 H ATOM 401 HB3 SER A 32 4.262 -5.151 11.089 1.00 0.00 H ATOM 402 HG SER A 32 4.060 -7.010 12.474 1.00 0.00 H ATOM 403 H SER A 32 2.867 -7.165 10.206 1.00 0.00 H ATOM 404 N ILE A 33 1.060 -3.461 10.765 1.00 10.79 N ATOM 405 CA ILE A 33 0.596 -2.423 9.849 1.00 12.41 C ATOM 406 C ILE A 33 1.133 -1.041 10.223 1.00 13.29 C ATOM 407 O ILE A 33 1.278 -0.709 11.401 1.00 12.82 O ATOM 408 CB ILE A 33 -0.960 -2.315 9.814 1.00 12.76 C ATOM 409 CG1 ILE A 33 -1.498 -2.013 11.216 1.00 14.33 C ATOM 410 CG2 ILE A 33 -1.572 -3.597 9.262 1.00 12.26 C ATOM 411 CD1 ILE A 33 -3.004 -1.819 11.274 1.00 11.64 C ATOM 412 HA ILE A 33 0.974 -2.724 8.872 1.00 0.00 H ATOM 413 HB ILE A 33 -1.241 -1.495 9.153 1.00 0.00 H ATOM 414 HG12 ILE A 33 -1.234 -2.844 11.871 1.00 0.00 H ATOM 415 HG13 ILE A 33 -1.021 -1.102 11.577 1.00 0.00 H ATOM 416 HD11 ILE A 33 -3.286 -0.983 10.634 1.00 0.00 H ATOM 417 HD12 ILE A 33 -3.499 -2.726 10.928 1.00 0.00 H ATOM 418 HD13 ILE A 33 -3.303 -1.609 12.301 1.00 0.00 H ATOM 419 HG21 ILE A 33 -1.205 -3.766 8.250 1.00 0.00 H ATOM 420 HG22 ILE A 33 -1.289 -4.436 9.897 1.00 0.00 H ATOM 421 HG23 ILE A 33 -2.658 -3.502 9.246 1.00 0.00 H ATOM 422 H ILE A 33 0.848 -3.369 11.779 1.00 0.00 H ATOM 423 N GLY A 34 1.417 -0.243 9.200 1.00 12.71 N ATOM 424 CA GLY A 34 1.897 1.107 9.410 1.00 12.51 C ATOM 425 C GLY A 34 1.083 2.042 8.533 1.00 14.13 C ATOM 426 O GLY A 34 0.426 1.597 7.584 1.00 13.37 O ATOM 427 HA3 GLY A 34 2.951 1.171 9.139 1.00 0.00 H ATOM 428 HA2 GLY A 34 1.775 1.384 10.457 1.00 0.00 H ATOM 429 H GLY A 34 1.292 -0.595 8.229 1.00 0.00 H ATOM 430 N GLY A 35 1.104 3.333 8.847 1.00 12.32 N ATOM 431 CA GLY A 35 0.361 4.281 8.043 1.00 14.86 C ATOM 432 C GLY A 35 -0.982 4.699 8.603 1.00 15.24 C ATOM 433 O GLY A 35 -1.324 4.400 9.746 1.00 16.56 O ATOM 434 HA3 GLY A 35 0.192 3.832 7.064 1.00 0.00 H ATOM 435 HA2 GLY A 35 0.971 5.177 7.930 1.00 0.00 H ATOM 436 H GLY A 35 1.652 3.662 9.667 1.00 0.00 H ATOM 437 N GLY A 36 -1.756 5.385 7.772 1.00 18.12 N ATOM 438 CA GLY A 36 -3.053 5.885 8.195 1.00 19.06 C ATOM 439 C GLY A 36 -3.042 7.367 7.887 1.00 19.28 C ATOM 440 O GLY A 36 -1.974 7.990 7.883 1.00 19.89 O ATOM 441 HA3 GLY A 36 -3.194 5.720 9.263 1.00 0.00 H ATOM 442 HA2 GLY A 36 -3.851 5.388 7.643 1.00 0.00 H ATOM 443 H GLY A 36 -1.429 5.568 6.802 1.00 0.00 H ATOM 444 N ILE A 37 -4.212 7.938 7.628 1.00 18.58 N ATOM 445 CA ILE A 37 -4.296 9.351 7.284 1.00 19.57 C ATOM 446 C ILE A 37 -3.743 10.285 8.361 1.00 19.96 C ATOM 447 O ILE A 37 -3.331 11.402 8.057 1.00 19.58 O ATOM 448 CB ILE A 37 -5.753 9.773 6.977 1.00 20.33 C ATOM 449 CG1 ILE A 37 -6.615 9.620 8.227 1.00 18.09 C ATOM 450 CG2 ILE A 37 -6.317 8.929 5.834 1.00 20.91 C ATOM 451 CD1 ILE A 37 -8.037 10.069 8.031 1.00 21.16 C ATOM 452 HA ILE A 37 -3.672 9.454 6.397 1.00 0.00 H ATOM 453 HB ILE A 37 -5.762 10.819 6.672 1.00 0.00 H ATOM 454 HG12 ILE A 37 -6.621 8.569 8.516 1.00 0.00 H ATOM 455 HG13 ILE A 37 -6.172 10.213 9.027 1.00 0.00 H ATOM 456 HD11 ILE A 37 -8.049 11.123 7.752 1.00 0.00 H ATOM 457 HD12 ILE A 37 -8.498 9.477 7.240 1.00 0.00 H ATOM 458 HD13 ILE A 37 -8.591 9.932 8.960 1.00 0.00 H ATOM 459 HG21 ILE A 37 -5.707 9.074 4.942 1.00 0.00 H ATOM 460 HG22 ILE A 37 -6.302 7.877 6.119 1.00 0.00 H ATOM 461 HG23 ILE A 37 -7.342 9.237 5.629 1.00 0.00 H ATOM 462 H ILE A 37 -5.081 7.368 7.671 1.00 0.00 H ATOM 463 N ASP A 38 -3.723 9.834 9.610 1.00 17.44 N ATOM 464 CA ASP A 38 -3.230 10.680 10.692 1.00 17.81 C ATOM 465 C ASP A 38 -1.718 10.644 10.883 1.00 18.20 C ATOM 466 O ASP A 38 -1.190 11.332 11.750 1.00 19.59 O ATOM 467 CB ASP A 38 -3.927 10.304 11.998 1.00 15.92 C ATOM 468 CG ASP A 38 -3.705 8.854 12.377 1.00 15.34 C ATOM 469 OD1 ASP A 38 -3.808 7.983 11.487 1.00 14.98 O ATOM 470 OD2 ASP A 38 -3.436 8.583 13.562 1.00 13.61 O ATOM 471 HA ASP A 38 -3.468 11.704 10.404 1.00 0.00 H ATOM 472 HB2 ASP A 38 -3.540 10.938 12.796 1.00 0.00 H ATOM 473 HB3 ASP A 38 -4.997 10.476 11.886 1.00 0.00 H ATOM 474 H ASP A 38 -4.061 8.873 9.818 1.00 0.00 H ATOM 475 N GLN A 39 -1.024 9.850 10.070 1.00 18.86 N ATOM 476 CA GLN A 39 0.425 9.742 10.164 1.00 18.72 C ATOM 477 C GLN A 39 1.109 10.410 8.975 1.00 21.82 C ATOM 478 O GLN A 39 0.545 10.489 7.879 1.00 21.58 O ATOM 479 CB GLN A 39 0.854 8.269 10.240 1.00 18.54 C ATOM 480 CG GLN A 39 0.266 7.496 11.419 1.00 14.97 C ATOM 481 CD GLN A 39 0.864 6.102 11.573 1.00 17.66 C ATOM 482 OE1 GLN A 39 1.575 5.614 10.687 1.00 14.64 O ATOM 483 NE2 GLN A 39 0.565 5.446 12.697 1.00 12.39 N ATOM 484 HA GLN A 39 0.732 10.255 11.076 1.00 0.00 H ATOM 485 HB2 GLN A 39 0.542 7.776 9.320 1.00 0.00 H ATOM 486 HB3 GLN A 39 1.941 8.235 10.318 1.00 0.00 H ATOM 487 HG2 GLN A 39 0.455 8.059 12.333 1.00 0.00 H ATOM 488 HG3 GLN A 39 -0.809 7.399 11.270 1.00 0.00 H ATOM 489 HE22 GLN A 39 -0.037 5.895 13.416 1.00 0.00 H ATOM 490 HE21 GLN A 39 0.934 4.486 12.853 1.00 0.00 H ATOM 491 H GLN A 39 -1.529 9.294 9.351 1.00 0.00 H ATOM 492 N ASP A 40 2.325 10.896 9.208 1.00 24.39 N ATOM 493 CA ASP A 40 3.121 11.556 8.175 1.00 26.31 C ATOM 494 C ASP A 40 3.575 10.500 7.176 1.00 25.75 C ATOM 495 O ASP A 40 4.283 9.559 7.534 1.00 27.64 O ATOM 496 CB ASP A 40 4.344 12.232 8.805 1.00 28.92 C ATOM 497 CG ASP A 40 5.212 12.954 7.782 1.00 31.94 C ATOM 498 OD1 ASP A 40 4.982 12.790 6.564 1.00 32.90 O ATOM 499 OD2 ASP A 40 6.135 13.684 8.204 1.00 33.95 O ATOM 500 HA ASP A 40 2.524 12.318 7.675 1.00 0.00 H ATOM 501 HB2 ASP A 40 4.000 12.956 9.543 1.00 0.00 H ATOM 502 HB3 ASP A 40 4.948 11.470 9.299 1.00 0.00 H ATOM 503 H ASP A 40 2.725 10.803 10.163 1.00 0.00 H ATOM 504 N PRO A 41 3.182 10.648 5.904 1.00 24.77 N ATOM 505 CA PRO A 41 3.547 9.697 4.852 1.00 26.08 C ATOM 506 C PRO A 41 4.986 9.753 4.341 1.00 27.04 C ATOM 507 O PRO A 41 5.479 8.782 3.763 1.00 27.72 O ATOM 508 CB PRO A 41 2.535 10.009 3.756 1.00 25.26 C ATOM 509 CG PRO A 41 2.382 11.498 3.883 1.00 25.30 C ATOM 510 CD PRO A 41 2.266 11.681 5.385 1.00 25.05 C ATOM 511 HA PRO A 41 3.514 8.677 5.236 1.00 0.00 H ATOM 512 HD3 PRO A 41 2.585 12.679 5.686 1.00 0.00 H ATOM 513 HD2 PRO A 41 1.245 11.509 5.725 1.00 0.00 H ATOM 514 HG3 PRO A 41 1.486 11.849 3.371 1.00 0.00 H ATOM 515 HG2 PRO A 41 3.253 12.020 3.487 1.00 0.00 H ATOM 516 HB2 PRO A 41 2.918 9.733 2.773 1.00 0.00 H ATOM 517 HB3 PRO A 41 1.589 9.497 3.933 1.00 0.00 H ATOM 518 N SER A 42 5.661 10.878 4.550 1.00 27.97 N ATOM 519 CA SER A 42 7.038 11.028 4.077 1.00 28.58 C ATOM 520 C SER A 42 7.947 9.962 4.672 1.00 27.66 C ATOM 521 O SER A 42 9.000 9.646 4.123 1.00 27.26 O ATOM 522 CB SER A 42 7.581 12.410 4.449 1.00 28.56 C ATOM 523 OG SER A 42 7.758 12.519 5.849 1.00 28.53 O ATOM 524 HA SER A 42 7.025 10.915 2.993 1.00 0.00 H ATOM 525 HB2 SER A 42 6.877 13.173 4.117 1.00 0.00 H ATOM 526 HB3 SER A 42 8.540 12.563 3.954 1.00 0.00 H ATOM 527 HG SER A 42 6.888 12.384 6.302 1.00 0.00 H ATOM 528 H SER A 42 5.205 11.663 5.057 1.00 0.00 H ATOM 529 N GLN A 43 7.512 9.397 5.789 1.00 27.70 N ATOM 530 CA GLN A 43 8.275 8.393 6.517 1.00 27.62 C ATOM 531 C GLN A 43 8.044 6.932 6.106 1.00 26.08 C ATOM 532 O GLN A 43 8.692 6.023 6.634 1.00 23.84 O ATOM 533 CB GLN A 43 7.962 8.563 7.991 1.00 33.17 C ATOM 534 CG GLN A 43 8.944 7.944 8.938 1.00 37.73 C ATOM 535 CD GLN A 43 8.619 8.338 10.359 1.00 40.29 C ATOM 536 OE1 GLN A 43 8.094 9.428 10.596 1.00 41.88 O ATOM 537 NE2 GLN A 43 8.930 7.465 11.313 1.00 40.57 N ATOM 538 HA GLN A 43 9.322 8.571 6.274 1.00 0.00 H ATOM 539 HB2 GLN A 43 7.919 9.631 8.204 1.00 0.00 H ATOM 540 HB3 GLN A 43 6.986 8.116 8.180 1.00 0.00 H ATOM 541 HG2 GLN A 43 8.898 6.859 8.846 1.00 0.00 H ATOM 542 HG3 GLN A 43 9.949 8.287 8.690 1.00 0.00 H ATOM 543 HE22 GLN A 43 9.372 6.557 11.063 1.00 0.00 H ATOM 544 HE21 GLN A 43 8.731 7.690 12.309 1.00 0.00 H ATOM 545 H GLN A 43 6.584 9.683 6.162 1.00 0.00 H ATOM 546 N ASN A 44 7.120 6.705 5.178 1.00 24.73 N ATOM 547 CA ASN A 44 6.821 5.352 4.716 1.00 23.36 C ATOM 548 C ASN A 44 8.049 4.763 4.006 1.00 23.84 C ATOM 549 O ASN A 44 8.523 5.325 3.021 1.00 24.43 O ATOM 550 CB ASN A 44 5.631 5.385 3.758 1.00 20.87 C ATOM 551 CG ASN A 44 5.138 4.003 3.402 1.00 17.88 C ATOM 552 OD1 ASN A 44 5.928 3.108 3.113 1.00 16.21 O ATOM 553 ND2 ASN A 44 3.827 3.823 3.413 1.00 16.63 N ATOM 554 HA ASN A 44 6.571 4.726 5.573 1.00 0.00 H ATOM 555 HB2 ASN A 44 4.817 5.936 4.229 1.00 0.00 H ATOM 556 HB3 ASN A 44 5.932 5.896 2.843 1.00 0.00 H ATOM 557 HD22 ASN A 44 3.196 4.611 3.664 1.00 0.00 H ATOM 558 HD21 ASN A 44 3.428 2.894 3.170 1.00 0.00 H ATOM 559 H ASN A 44 6.599 7.508 4.772 1.00 0.00 H ATOM 560 N PRO A 45 8.566 3.618 4.496 1.00 24.15 N ATOM 561 CA PRO A 45 9.738 2.905 3.964 1.00 25.90 C ATOM 562 C PRO A 45 9.480 1.960 2.789 1.00 27.71 C ATOM 563 O PRO A 45 10.370 1.187 2.399 1.00 28.55 O ATOM 564 CB PRO A 45 10.224 2.132 5.175 1.00 27.02 C ATOM 565 CG PRO A 45 8.919 1.677 5.762 1.00 24.82 C ATOM 566 CD PRO A 45 8.068 2.939 5.708 1.00 24.36 C ATOM 567 HA PRO A 45 10.447 3.612 3.533 1.00 0.00 H ATOM 568 HD3 PRO A 45 7.010 2.696 5.615 1.00 0.00 H ATOM 569 HD2 PRO A 45 8.221 3.555 6.594 1.00 0.00 H ATOM 570 HG3 PRO A 45 9.048 1.333 6.788 1.00 0.00 H ATOM 571 HG2 PRO A 45 8.477 0.879 5.166 1.00 0.00 H ATOM 572 HB2 PRO A 45 10.851 1.288 4.887 1.00 0.00 H ATOM 573 HB3 PRO A 45 10.773 2.772 5.866 1.00 0.00 H ATOM 574 N PHE A 46 8.273 2.011 2.237 1.00 26.57 N ATOM 575 CA PHE A 46 7.906 1.137 1.129 1.00 26.90 C ATOM 576 C PHE A 46 7.311 1.924 -0.022 1.00 27.95 C ATOM 577 O PHE A 46 7.650 1.703 -1.180 1.00 30.07 O ATOM 578 CB PHE A 46 6.857 0.113 1.580 1.00 22.96 C ATOM 579 CG PHE A 46 7.263 -0.697 2.774 1.00 20.85 C ATOM 580 CD1 PHE A 46 8.371 -1.537 2.718 1.00 18.65 C ATOM 581 CD2 PHE A 46 6.535 -0.625 3.956 1.00 19.58 C ATOM 582 CE1 PHE A 46 8.748 -2.293 3.814 1.00 16.89 C ATOM 583 CE2 PHE A 46 6.905 -1.379 5.063 1.00 19.23 C ATOM 584 CZ PHE A 46 8.016 -2.216 4.990 1.00 17.42 C ATOM 585 HA PHE A 46 8.819 0.638 0.803 1.00 0.00 H ATOM 586 HB2 PHE A 46 5.940 0.648 1.825 1.00 0.00 H ATOM 587 HB3 PHE A 46 6.667 -0.570 0.752 1.00 0.00 H ATOM 588 HD2 PHE A 46 5.665 0.029 4.015 1.00 0.00 H ATOM 589 HE2 PHE A 46 6.328 -1.316 5.985 1.00 0.00 H ATOM 590 HZ PHE A 46 8.310 -2.810 5.856 1.00 0.00 H ATOM 591 HE1 PHE A 46 9.618 -2.947 3.754 1.00 0.00 H ATOM 592 HD1 PHE A 46 8.951 -1.600 1.797 1.00 0.00 H ATOM 593 H PHE A 46 7.574 2.689 2.603 1.00 0.00 H ATOM 594 N SER A 47 6.418 2.844 0.325 1.00 29.93 N ATOM 595 CA SER A 47 5.688 3.660 -0.639 1.00 31.61 C ATOM 596 C SER A 47 6.386 4.195 -1.881 1.00 33.99 C ATOM 597 O SER A 47 7.555 4.595 -1.872 1.00 32.12 O ATOM 598 CB SER A 47 4.986 4.819 0.075 1.00 30.05 C ATOM 599 OG SER A 47 5.896 5.612 0.808 1.00 33.39 O ATOM 600 HA SER A 47 5.010 2.917 -1.060 1.00 0.00 H ATOM 601 HB2 SER A 47 4.241 4.413 0.759 1.00 0.00 H ATOM 602 HB3 SER A 47 4.492 5.444 -0.669 1.00 0.00 H ATOM 603 HG SER A 47 5.406 6.348 1.254 1.00 0.00 H ATOM 604 H SER A 47 6.229 2.990 1.337 1.00 0.00 H ATOM 605 N GLU A 48 5.601 4.180 -2.952 1.00 36.79 N ATOM 606 CA GLU A 48 5.976 4.646 -4.273 1.00 39.17 C ATOM 607 C GLU A 48 5.948 6.169 -4.216 1.00 39.02 C ATOM 608 O GLU A 48 6.951 6.849 -4.451 1.00 38.90 O ATOM 609 CB GLU A 48 4.936 4.126 -5.272 1.00 42.58 C ATOM 610 CG GLU A 48 3.683 3.541 -4.583 1.00 46.35 C ATOM 611 CD GLU A 48 2.530 4.531 -4.444 1.00 48.53 C ATOM 612 OE1 GLU A 48 1.776 4.704 -5.431 1.00 50.23 O ATOM 613 OE2 GLU A 48 2.382 5.134 -3.355 1.00 47.67 O ATOM 614 HA GLU A 48 6.962 4.297 -4.579 1.00 0.00 H ATOM 615 HB2 GLU A 48 4.627 4.951 -5.915 1.00 0.00 H ATOM 616 HB3 GLU A 48 5.396 3.346 -5.879 1.00 0.00 H ATOM 617 HG2 GLU A 48 3.335 2.690 -5.169 1.00 0.00 H ATOM 618 HG3 GLU A 48 3.966 3.203 -3.586 1.00 0.00 H ATOM 619 H GLU A 48 4.639 3.803 -2.834 1.00 0.00 H ATOM 620 N ASP A 49 4.770 6.676 -3.880 1.00 37.74 N ATOM 621 CA ASP A 49 4.509 8.095 -3.747 1.00 36.86 C ATOM 622 C ASP A 49 4.619 8.399 -2.252 1.00 36.68 C ATOM 623 O ASP A 49 3.846 7.868 -1.455 1.00 35.47 O ATOM 624 CB ASP A 49 3.093 8.374 -4.242 1.00 37.69 C ATOM 625 CG ASP A 49 2.784 9.842 -4.320 1.00 38.88 C ATOM 626 OD1 ASP A 49 3.091 10.561 -3.349 1.00 40.27 O ATOM 627 OD2 ASP A 49 2.227 10.269 -5.352 1.00 40.96 O ATOM 628 HA ASP A 49 5.202 8.708 -4.323 1.00 0.00 H ATOM 629 HB2 ASP A 49 2.979 7.940 -5.235 1.00 0.00 H ATOM 630 HB3 ASP A 49 2.386 7.904 -3.558 1.00 0.00 H ATOM 631 H ASP A 49 3.987 6.016 -3.701 1.00 0.00 H ATOM 632 N LYS A 50 5.573 9.243 -1.866 1.00 35.45 N ATOM 633 CA LYS A 50 5.753 9.560 -0.451 1.00 34.54 C ATOM 634 C LYS A 50 4.649 10.418 0.168 1.00 33.93 C ATOM 635 O LYS A 50 4.817 10.965 1.255 1.00 34.85 O ATOM 636 CB LYS A 50 7.121 10.211 -0.227 1.00 34.63 C ATOM 637 CG LYS A 50 8.279 9.316 -0.627 1.00 34.68 C ATOM 638 CD LYS A 50 8.380 8.090 0.265 1.00 35.65 C ATOM 639 CE LYS A 50 9.144 6.972 -0.436 1.00 35.13 C ATOM 640 NZ LYS A 50 9.481 5.849 0.488 1.00 33.53 N ATOM 641 HA LYS A 50 5.693 8.603 0.068 1.00 0.00 H ATOM 642 HB2 LYS A 50 7.170 11.127 -0.816 1.00 0.00 H ATOM 643 HB3 LYS A 50 7.220 10.455 0.831 1.00 0.00 H ATOM 644 HG2 LYS A 50 8.135 8.992 -1.658 1.00 0.00 H ATOM 645 HG3 LYS A 50 9.206 9.884 -0.552 1.00 0.00 H ATOM 646 HD2 LYS A 50 8.902 8.358 1.184 1.00 0.00 H ATOM 647 HD3 LYS A 50 7.376 7.740 0.507 1.00 0.00 H ATOM 648 HE2 LYS A 50 10.069 7.381 -0.843 1.00 0.00 H ATOM 649 HE3 LYS A 50 8.531 6.585 -1.250 1.00 0.00 H ATOM 650 HZ1 LYS A 50 10.073 6.206 1.265 1.00 0.00 H ATOM 651 HZ2 LYS A 50 8.604 5.446 0.876 1.00 0.00 H ATOM 652 HZ3 LYS A 50 9.999 5.115 -0.035 1.00 0.00 H ATOM 653 H LYS A 50 6.195 9.680 -2.576 1.00 0.00 H ATOM 654 N THR A 51 3.519 10.533 -0.522 1.00 32.83 N ATOM 655 CA THR A 51 2.387 11.294 -0.002 1.00 31.10 C ATOM 656 C THR A 51 1.262 10.300 0.286 1.00 29.11 C ATOM 657 O THR A 51 0.174 10.678 0.719 1.00 28.84 O ATOM 658 CB THR A 51 1.873 12.346 -1.020 1.00 31.63 C ATOM 659 OG1 THR A 51 1.236 11.689 -2.124 1.00 29.64 O ATOM 660 CG2 THR A 51 3.028 13.195 -1.538 1.00 31.88 C ATOM 661 HA THR A 51 2.704 11.830 0.893 1.00 0.00 H ATOM 662 HB THR A 51 1.155 12.991 -0.515 1.00 0.00 H ATOM 663 HG1 THR A 51 1.887 11.092 -2.572 1.00 0.00 H ATOM 664 HG23 THR A 51 3.514 13.695 -0.700 1.00 0.00 H ATOM 665 HG21 THR A 51 3.748 12.555 -2.047 1.00 0.00 H ATOM 666 HG22 THR A 51 2.645 13.940 -2.236 1.00 0.00 H ATOM 667 H THR A 51 3.440 10.072 -1.451 1.00 0.00 H ATOM 668 N ASP A 52 1.547 9.024 0.036 1.00 27.93 N ATOM 669 CA ASP A 52 0.596 7.930 0.246 1.00 25.17 C ATOM 670 C ASP A 52 0.384 7.712 1.741 1.00 23.09 C ATOM 671 O ASP A 52 1.326 7.401 2.464 1.00 22.62 O ATOM 672 CB ASP A 52 1.151 6.649 -0.384 1.00 26.03 C ATOM 673 CG ASP A 52 0.140 5.506 -0.411 1.00 26.54 C ATOM 674 OD1 ASP A 52 -0.745 5.441 0.471 1.00 24.10 O ATOM 675 OD2 ASP A 52 0.250 4.654 -1.319 1.00 25.42 O ATOM 676 HA ASP A 52 -0.357 8.184 -0.218 1.00 0.00 H ATOM 677 HB2 ASP A 52 1.453 6.869 -1.408 1.00 0.00 H ATOM 678 HB3 ASP A 52 2.021 6.329 0.190 1.00 0.00 H ATOM 679 H ASP A 52 2.494 8.792 -0.327 1.00 0.00 H ATOM 680 N LYS A 53 -0.852 7.868 2.199 1.00 23.66 N ATOM 681 CA LYS A 53 -1.168 7.686 3.615 1.00 24.58 C ATOM 682 C LYS A 53 -1.864 6.351 3.854 1.00 22.28 C ATOM 683 O LYS A 53 -2.494 6.148 4.892 1.00 19.76 O ATOM 684 CB LYS A 53 -2.082 8.810 4.098 1.00 26.33 C ATOM 685 CG LYS A 53 -1.924 10.079 3.310 1.00 30.45 C ATOM 686 CD LYS A 53 -1.341 11.199 4.138 1.00 33.11 C ATOM 687 CE LYS A 53 -2.413 12.228 4.459 1.00 35.15 C ATOM 688 NZ LYS A 53 -1.800 13.558 4.744 1.00 36.70 N ATOM 689 HA LYS A 53 -0.229 7.703 4.169 1.00 0.00 H ATOM 690 HB2 LYS A 53 -3.116 8.476 4.015 1.00 0.00 H ATOM 691 HB3 LYS A 53 -1.852 9.019 5.143 1.00 0.00 H ATOM 692 HG2 LYS A 53 -1.263 9.887 2.465 1.00 0.00 H ATOM 693 HG3 LYS A 53 -2.902 10.388 2.942 1.00 0.00 H ATOM 694 HD2 LYS A 53 -0.944 10.791 5.067 1.00 0.00 H ATOM 695 HD3 LYS A 53 -0.537 11.679 3.580 1.00 0.00 H ATOM 696 HE2 LYS A 53 -2.975 11.898 5.333 1.00 0.00 H ATOM 697 HE3 LYS A 53 -3.087 12.320 3.608 1.00 0.00 H ATOM 698 HZ1 LYS A 53 -1.158 13.475 5.558 1.00 0.00 H ATOM 699 HZ2 LYS A 53 -1.265 13.878 3.911 1.00 0.00 H ATOM 700 HZ3 LYS A 53 -2.550 14.245 4.961 1.00 0.00 H ATOM 701 H LYS A 53 -1.612 8.125 1.537 1.00 0.00 H ATOM 702 N GLY A 54 -1.743 5.447 2.887 1.00 21.30 N ATOM 703 CA GLY A 54 -2.381 4.150 3.003 1.00 19.26 C ATOM 704 C GLY A 54 -1.793 3.260 4.079 1.00 17.98 C ATOM 705 O GLY A 54 -0.772 3.582 4.695 1.00 17.65 O ATOM 706 HA3 GLY A 54 -2.288 3.636 2.046 1.00 0.00 H ATOM 707 HA2 GLY A 54 -3.436 4.307 3.228 1.00 0.00 H ATOM 708 H GLY A 54 -1.185 5.672 2.039 1.00 0.00 H ATOM 709 N ILE A 55 -2.456 2.128 4.294 1.00 16.96 N ATOM 710 CA ILE A 55 -2.045 1.140 5.281 1.00 14.12 C ATOM 711 C ILE A 55 -1.133 0.124 4.608 1.00 14.94 C ATOM 712 O ILE A 55 -1.539 -0.546 3.654 1.00 14.22 O ATOM 713 CB ILE A 55 -3.272 0.399 5.848 1.00 13.61 C ATOM 714 CG1 ILE A 55 -4.243 1.410 6.461 1.00 10.71 C ATOM 715 CG2 ILE A 55 -2.829 -0.653 6.861 1.00 11.23 C ATOM 716 CD1 ILE A 55 -3.656 2.210 7.607 1.00 11.38 C ATOM 717 HA ILE A 55 -1.527 1.648 6.095 1.00 0.00 H ATOM 718 HB ILE A 55 -3.793 -0.122 5.045 1.00 0.00 H ATOM 719 HG12 ILE A 55 -4.553 2.105 5.681 1.00 0.00 H ATOM 720 HG13 ILE A 55 -5.114 0.869 6.831 1.00 0.00 H ATOM 721 HD11 ILE A 55 -3.351 1.531 8.404 1.00 0.00 H ATOM 722 HD12 ILE A 55 -2.790 2.768 7.252 1.00 0.00 H ATOM 723 HD13 ILE A 55 -4.407 2.903 7.986 1.00 0.00 H ATOM 724 HG21 ILE A 55 -2.171 -1.372 6.372 1.00 0.00 H ATOM 725 HG22 ILE A 55 -2.295 -0.167 7.678 1.00 0.00 H ATOM 726 HG23 ILE A 55 -3.705 -1.169 7.254 1.00 0.00 H ATOM 727 H ILE A 55 -3.309 1.939 3.730 1.00 0.00 H ATOM 728 N TYR A 56 0.093 0.012 5.111 1.00 14.76 N ATOM 729 CA TYR A 56 1.080 -0.914 4.564 1.00 15.30 C ATOM 730 C TYR A 56 1.475 -1.999 5.558 1.00 14.45 C ATOM 731 O TYR A 56 1.556 -1.749 6.761 1.00 14.30 O ATOM 732 CB TYR A 56 2.346 -0.152 4.150 1.00 16.39 C ATOM 733 CG TYR A 56 2.244 0.570 2.826 1.00 18.25 C ATOM 734 CD1 TYR A 56 2.912 0.095 1.699 1.00 18.88 C ATOM 735 CD2 TYR A 56 1.462 1.716 2.695 1.00 19.44 C ATOM 736 CE1 TYR A 56 2.803 0.743 0.469 1.00 20.39 C ATOM 737 CE2 TYR A 56 1.347 2.371 1.475 1.00 18.86 C ATOM 738 CZ TYR A 56 2.019 1.881 0.367 1.00 21.63 C ATOM 739 OH TYR A 56 1.908 2.536 -0.840 1.00 23.81 O ATOM 740 HA TYR A 56 0.615 -1.391 3.701 1.00 0.00 H ATOM 741 HB3 TYR A 56 3.167 -0.866 4.085 1.00 0.00 H ATOM 742 HB2 TYR A 56 2.567 0.584 4.923 1.00 0.00 H ATOM 743 HD2 TYR A 56 0.932 2.105 3.564 1.00 0.00 H ATOM 744 HE2 TYR A 56 0.731 3.266 1.390 1.00 0.00 H ATOM 745 HE1 TYR A 56 3.330 0.358 -0.404 1.00 0.00 H ATOM 746 HD1 TYR A 56 3.531 -0.799 1.780 1.00 0.00 H ATOM 747 HH TYR A 56 0.958 2.553 -1.119 1.00 0.00 H ATOM 748 H TYR A 56 0.358 0.605 5.923 1.00 0.00 H ATOM 749 N VAL A 57 1.730 -3.197 5.041 1.00 12.81 N ATOM 750 CA VAL A 57 2.156 -4.334 5.857 1.00 13.69 C ATOM 751 C VAL A 57 3.660 -4.172 6.065 1.00 15.04 C ATOM 752 O VAL A 57 4.422 -4.176 5.098 1.00 15.44 O ATOM 753 CB VAL A 57 1.899 -5.685 5.128 1.00 12.75 C ATOM 754 CG1 VAL A 57 2.537 -6.827 5.901 1.00 7.19 C ATOM 755 CG2 VAL A 57 0.401 -5.923 4.979 1.00 11.81 C ATOM 756 HA VAL A 57 1.599 -4.350 6.794 1.00 0.00 H ATOM 757 HB VAL A 57 2.348 -5.640 4.136 1.00 0.00 H ATOM 758 HG11 VAL A 57 3.611 -6.659 5.974 1.00 0.00 H ATOM 759 HG12 VAL A 57 2.106 -6.873 6.901 1.00 0.00 H ATOM 760 HG13 VAL A 57 2.350 -7.766 5.380 1.00 0.00 H ATOM 761 HG21 VAL A 57 -0.060 -5.955 5.966 1.00 0.00 H ATOM 762 HG22 VAL A 57 -0.038 -5.113 4.397 1.00 0.00 H ATOM 763 HG23 VAL A 57 0.234 -6.871 4.468 1.00 0.00 H ATOM 764 H VAL A 57 1.622 -3.331 4.015 1.00 0.00 H ATOM 765 N THR A 58 4.083 -4.035 7.317 1.00 15.02 N ATOM 766 CA THR A 58 5.497 -3.839 7.631 1.00 15.97 C ATOM 767 C THR A 58 6.220 -5.106 8.069 1.00 16.91 C ATOM 768 O THR A 58 7.444 -5.196 7.954 1.00 19.30 O ATOM 769 CB THR A 58 5.675 -2.778 8.751 1.00 17.77 C ATOM 770 OG1 THR A 58 4.973 -3.202 9.929 1.00 14.67 O ATOM 771 CG2 THR A 58 5.129 -1.427 8.300 1.00 16.18 C ATOM 772 HA THR A 58 5.943 -3.505 6.694 1.00 0.00 H ATOM 773 HB THR A 58 6.738 -2.675 8.968 1.00 0.00 H ATOM 774 HG1 THR A 58 5.088 -2.525 10.642 1.00 0.00 H ATOM 775 HG23 THR A 58 5.660 -1.102 7.405 1.00 0.00 H ATOM 776 HG21 THR A 58 4.066 -1.522 8.079 1.00 0.00 H ATOM 777 HG22 THR A 58 5.272 -0.695 9.095 1.00 0.00 H ATOM 778 H THR A 58 3.391 -4.068 8.093 1.00 0.00 H ATOM 779 N ARG A 59 5.471 -6.078 8.578 1.00 15.86 N ATOM 780 CA ARG A 59 6.069 -7.328 9.040 1.00 17.53 C ATOM 781 C ARG A 59 5.099 -8.497 8.935 1.00 17.70 C ATOM 782 O ARG A 59 3.886 -8.323 9.074 1.00 14.63 O ATOM 783 CB ARG A 59 6.519 -7.179 10.494 1.00 20.81 C ATOM 784 CG ARG A 59 7.548 -6.084 10.692 1.00 29.09 C ATOM 785 CD ARG A 59 7.467 -5.500 12.078 1.00 34.75 C ATOM 786 NE ARG A 59 8.080 -6.352 13.088 1.00 39.95 N ATOM 787 CZ ARG A 59 7.998 -6.114 14.392 1.00 43.44 C ATOM 788 NH1 ARG A 59 7.322 -5.054 14.826 1.00 45.20 N ATOM 789 NH2 ARG A 59 8.595 -6.923 15.259 1.00 43.55 N ATOM 790 HA ARG A 59 6.924 -7.539 8.397 1.00 0.00 H ATOM 791 HB2 ARG A 59 5.646 -6.949 11.105 1.00 0.00 H ATOM 792 HB3 ARG A 59 6.951 -8.124 10.822 1.00 0.00 H ATOM 793 HG2 ARG A 59 8.544 -6.500 10.540 1.00 0.00 H ATOM 794 HG3 ARG A 59 7.371 -5.294 9.963 1.00 0.00 H ATOM 795 HD2 ARG A 59 6.417 -5.356 12.334 1.00 0.00 H ATOM 796 HD3 ARG A 59 7.976 -4.536 12.080 1.00 0.00 H ATOM 797 HE ARG A 59 8.609 -7.190 12.772 1.00 0.00 H ATOM 798 HH12 ARG A 59 7.254 -4.862 15.846 1.00 0.00 H ATOM 799 HH11 ARG A 59 6.861 -4.417 14.145 1.00 0.00 H ATOM 800 HH22 ARG A 59 8.528 -6.732 16.279 1.00 0.00 H ATOM 801 HH21 ARG A 59 9.130 -7.747 14.918 1.00 0.00 H ATOM 802 H ARG A 59 4.442 -5.947 8.649 1.00 0.00 H ATOM 803 N VAL A 60 5.641 -9.682 8.671 1.00 14.46 N ATOM 804 CA VAL A 60 4.838 -10.893 8.581 1.00 16.31 C ATOM 805 C VAL A 60 5.530 -11.916 9.474 1.00 17.57 C ATOM 806 O VAL A 60 6.706 -12.232 9.278 1.00 18.28 O ATOM 807 CB VAL A 60 4.748 -11.411 7.128 1.00 17.27 C ATOM 808 CG1 VAL A 60 3.927 -12.700 7.082 1.00 15.71 C ATOM 809 CG2 VAL A 60 4.099 -10.346 6.235 1.00 16.06 C ATOM 810 HA VAL A 60 3.812 -10.704 8.898 1.00 0.00 H ATOM 811 HB VAL A 60 5.754 -11.619 6.762 1.00 0.00 H ATOM 812 HG11 VAL A 60 4.406 -13.456 7.704 1.00 0.00 H ATOM 813 HG12 VAL A 60 2.922 -12.503 7.456 1.00 0.00 H ATOM 814 HG13 VAL A 60 3.870 -13.056 6.053 1.00 0.00 H ATOM 815 HG21 VAL A 60 3.096 -10.127 6.603 1.00 0.00 H ATOM 816 HG22 VAL A 60 4.702 -9.438 6.258 1.00 0.00 H ATOM 817 HG23 VAL A 60 4.039 -10.719 5.212 1.00 0.00 H ATOM 818 H VAL A 60 6.669 -9.746 8.525 1.00 0.00 H ATOM 819 N SER A 61 4.801 -12.405 10.472 1.00 16.82 N ATOM 820 CA SER A 61 5.341 -13.362 11.430 1.00 16.81 C ATOM 821 C SER A 61 5.542 -14.761 10.876 1.00 16.94 C ATOM 822 O SER A 61 4.626 -15.348 10.301 1.00 13.89 O ATOM 823 CB SER A 61 4.427 -13.454 12.657 1.00 16.48 C ATOM 824 OG SER A 61 4.280 -12.195 13.277 1.00 18.75 O ATOM 825 HA SER A 61 6.327 -12.978 11.692 1.00 0.00 H ATOM 826 HB2 SER A 61 4.859 -14.155 13.371 1.00 0.00 H ATOM 827 HB3 SER A 61 3.447 -13.814 12.345 1.00 0.00 H ATOM 828 HG SER A 61 5.167 -11.865 13.567 1.00 0.00 H ATOM 829 H SER A 61 3.813 -12.095 10.573 1.00 0.00 H ATOM 830 N GLU A 62 6.743 -15.296 11.077 1.00 17.56 N ATOM 831 CA GLU A 62 7.069 -16.640 10.629 1.00 18.76 C ATOM 832 C GLU A 62 6.141 -17.619 11.338 1.00 18.23 C ATOM 833 O GLU A 62 5.956 -17.536 12.553 1.00 16.86 O ATOM 834 CB GLU A 62 8.519 -16.984 10.983 1.00 22.85 C ATOM 835 CG GLU A 62 8.965 -18.341 10.458 1.00 28.83 C ATOM 836 CD GLU A 62 10.230 -18.854 11.124 1.00 30.49 C ATOM 837 OE1 GLU A 62 11.166 -18.052 11.334 1.00 31.57 O ATOM 838 OE2 GLU A 62 10.287 -20.067 11.423 1.00 32.95 O ATOM 839 HA GLU A 62 6.947 -16.702 9.548 1.00 0.00 H ATOM 840 HB2 GLU A 62 9.169 -16.219 10.559 1.00 0.00 H ATOM 841 HB3 GLU A 62 8.619 -16.983 12.068 1.00 0.00 H ATOM 842 HG2 GLU A 62 8.165 -19.060 10.633 1.00 0.00 H ATOM 843 HG3 GLU A 62 9.147 -18.255 9.387 1.00 0.00 H ATOM 844 H GLU A 62 7.469 -14.737 11.569 1.00 0.00 H ATOM 845 N GLY A 63 5.560 -18.541 10.576 1.00 19.00 N ATOM 846 CA GLY A 63 4.659 -19.521 11.154 1.00 18.52 C ATOM 847 C GLY A 63 3.291 -18.980 11.527 1.00 17.92 C ATOM 848 O GLY A 63 2.469 -19.707 12.091 1.00 19.02 O ATOM 849 HA3 GLY A 63 5.124 -19.921 12.055 1.00 0.00 H ATOM 850 HA2 GLY A 63 4.521 -20.325 10.431 1.00 0.00 H ATOM 851 H GLY A 63 5.753 -18.560 9.554 1.00 0.00 H ATOM 852 N GLY A 64 3.035 -17.711 11.216 1.00 16.93 N ATOM 853 CA GLY A 64 1.747 -17.116 11.547 1.00 13.98 C ATOM 854 C GLY A 64 0.695 -17.242 10.454 1.00 14.87 C ATOM 855 O GLY A 64 1.013 -17.618 9.331 1.00 10.26 O ATOM 856 HA3 GLY A 64 1.903 -16.056 11.750 1.00 0.00 H ATOM 857 HA2 GLY A 64 1.367 -17.604 12.444 1.00 0.00 H ATOM 858 H GLY A 64 3.759 -17.141 10.734 1.00 0.00 H ATOM 859 N PRO A 65 -0.576 -16.921 10.752 1.00 14.65 N ATOM 860 CA PRO A 65 -1.644 -17.018 9.751 1.00 14.88 C ATOM 861 C PRO A 65 -1.443 -16.165 8.497 1.00 13.36 C ATOM 862 O PRO A 65 -1.728 -16.623 7.394 1.00 13.01 O ATOM 863 CB PRO A 65 -2.903 -16.636 10.537 1.00 16.02 C ATOM 864 CG PRO A 65 -2.394 -15.810 11.658 1.00 18.46 C ATOM 865 CD PRO A 65 -1.114 -16.502 12.056 1.00 15.93 C ATOM 866 HA PRO A 65 -1.687 -18.018 9.321 1.00 0.00 H ATOM 867 HD3 PRO A 65 -0.435 -15.818 12.564 1.00 0.00 H ATOM 868 HD2 PRO A 65 -1.310 -17.360 12.698 1.00 0.00 H ATOM 869 HG3 PRO A 65 -3.103 -15.797 12.486 1.00 0.00 H ATOM 870 HG2 PRO A 65 -2.199 -14.788 11.332 1.00 0.00 H ATOM 871 HB2 PRO A 65 -3.589 -16.062 9.914 1.00 0.00 H ATOM 872 HB3 PRO A 65 -3.411 -17.525 10.911 1.00 0.00 H ATOM 873 N ALA A 66 -0.939 -14.944 8.661 1.00 11.21 N ATOM 874 CA ALA A 66 -0.717 -14.054 7.523 1.00 11.81 C ATOM 875 C ALA A 66 0.329 -14.605 6.554 1.00 12.91 C ATOM 876 O ALA A 66 0.196 -14.473 5.334 1.00 11.42 O ATOM 877 CB ALA A 66 -0.298 -12.665 8.016 1.00 12.70 C ATOM 878 HA ALA A 66 -1.658 -13.981 6.978 1.00 0.00 H ATOM 879 HB1 ALA A 66 -1.085 -12.252 8.646 1.00 0.00 H ATOM 880 HB2 ALA A 66 0.624 -12.748 8.592 1.00 0.00 H ATOM 881 HB3 ALA A 66 -0.135 -12.011 7.160 1.00 0.00 H ATOM 882 H ALA A 66 -0.698 -14.617 9.618 1.00 0.00 H ATOM 883 N GLU A 67 1.370 -15.226 7.096 1.00 12.77 N ATOM 884 CA GLU A 67 2.422 -15.787 6.261 1.00 14.93 C ATOM 885 C GLU A 67 1.872 -16.885 5.362 1.00 14.64 C ATOM 886 O GLU A 67 2.068 -16.862 4.148 1.00 14.03 O ATOM 887 CB GLU A 67 3.551 -16.364 7.126 1.00 16.78 C ATOM 888 CG GLU A 67 4.666 -17.031 6.313 1.00 22.76 C ATOM 889 CD GLU A 67 5.780 -17.595 7.182 1.00 23.68 C ATOM 890 OE1 GLU A 67 5.511 -18.510 7.988 1.00 25.68 O ATOM 891 OE2 GLU A 67 6.928 -17.124 7.058 1.00 25.35 O ATOM 892 HA GLU A 67 2.817 -14.981 5.642 1.00 0.00 H ATOM 893 HB2 GLU A 67 3.987 -15.553 7.710 1.00 0.00 H ATOM 894 HB3 GLU A 67 3.124 -17.107 7.800 1.00 0.00 H ATOM 895 HG2 GLU A 67 4.233 -17.845 5.732 1.00 0.00 H ATOM 896 HG3 GLU A 67 5.094 -16.291 5.637 1.00 0.00 H ATOM 897 H GLU A 67 1.435 -15.313 8.130 1.00 0.00 H ATOM 898 N ILE A 68 1.177 -17.843 5.965 1.00 14.19 N ATOM 899 CA ILE A 68 0.626 -18.957 5.210 1.00 14.74 C ATOM 900 C ILE A 68 -0.454 -18.501 4.238 1.00 13.51 C ATOM 901 O ILE A 68 -0.714 -19.167 3.242 1.00 15.82 O ATOM 902 CB ILE A 68 0.061 -20.050 6.156 1.00 14.32 C ATOM 903 CG1 ILE A 68 -0.154 -21.347 5.376 1.00 13.21 C ATOM 904 CG2 ILE A 68 -1.241 -19.587 6.793 1.00 14.03 C ATOM 905 CD1 ILE A 68 1.132 -21.932 4.786 1.00 16.31 C ATOM 906 HA ILE A 68 1.445 -19.383 4.631 1.00 0.00 H ATOM 907 HB ILE A 68 0.781 -20.232 6.954 1.00 0.00 H ATOM 908 HG12 ILE A 68 -0.591 -22.085 6.049 1.00 0.00 H ATOM 909 HG13 ILE A 68 -0.847 -21.147 4.559 1.00 0.00 H ATOM 910 HD11 ILE A 68 1.577 -21.211 4.100 1.00 0.00 H ATOM 911 HD12 ILE A 68 1.833 -22.150 5.591 1.00 0.00 H ATOM 912 HD13 ILE A 68 0.898 -22.851 4.248 1.00 0.00 H ATOM 913 HG21 ILE A 68 -1.060 -18.680 7.369 1.00 0.00 H ATOM 914 HG22 ILE A 68 -1.973 -19.382 6.012 1.00 0.00 H ATOM 915 HG23 ILE A 68 -1.619 -20.368 7.452 1.00 0.00 H ATOM 916 H ILE A 68 1.025 -17.796 6.993 1.00 0.00 H ATOM 917 N ALA A 69 -1.075 -17.362 4.525 1.00 12.41 N ATOM 918 CA ALA A 69 -2.119 -16.826 3.658 1.00 11.87 C ATOM 919 C ALA A 69 -1.510 -16.122 2.443 1.00 11.96 C ATOM 920 O ALA A 69 -2.198 -15.857 1.455 1.00 13.25 O ATOM 921 CB ALA A 69 -3.010 -15.861 4.447 1.00 13.43 C ATOM 922 HA ALA A 69 -2.729 -17.654 3.297 1.00 0.00 H ATOM 923 HB1 ALA A 69 -3.472 -16.393 5.279 1.00 0.00 H ATOM 924 HB2 ALA A 69 -2.404 -15.040 4.830 1.00 0.00 H ATOM 925 HB3 ALA A 69 -3.786 -15.466 3.791 1.00 0.00 H ATOM 926 H ALA A 69 -0.811 -16.841 5.386 1.00 0.00 H ATOM 927 N GLY A 70 -0.218 -15.820 2.515 1.00 10.45 N ATOM 928 CA GLY A 70 0.440 -15.167 1.396 1.00 11.74 C ATOM 929 C GLY A 70 0.678 -13.666 1.496 1.00 13.64 C ATOM 930 O GLY A 70 1.124 -13.052 0.521 1.00 15.62 O ATOM 931 HA3 GLY A 70 -0.171 -15.342 0.511 1.00 0.00 H ATOM 932 HA2 GLY A 70 1.412 -15.644 1.265 1.00 0.00 H ATOM 933 H GLY A 70 0.323 -16.051 3.373 1.00 0.00 H ATOM 934 N LEU A 71 0.383 -13.065 2.649 1.00 12.55 N ATOM 935 CA LEU A 71 0.596 -11.630 2.824 1.00 12.98 C ATOM 936 C LEU A 71 2.098 -11.391 2.749 1.00 12.89 C ATOM 937 O LEU A 71 2.877 -12.203 3.236 1.00 12.57 O ATOM 938 CB LEU A 71 0.099 -11.155 4.188 1.00 10.51 C ATOM 939 CG LEU A 71 -0.827 -9.932 4.280 1.00 12.94 C ATOM 940 CD1 LEU A 71 -0.685 -9.324 5.683 1.00 9.67 C ATOM 941 CD2 LEU A 71 -0.486 -8.897 3.236 1.00 15.14 C ATOM 942 HA LEU A 71 0.049 -11.084 2.055 1.00 0.00 H ATOM 943 HB2 LEU A 71 -0.436 -11.991 4.638 1.00 0.00 H ATOM 944 HB3 LEU A 71 0.983 -10.928 4.785 1.00 0.00 H ATOM 945 HG LEU A 71 -1.854 -10.251 4.099 1.00 0.00 H ATOM 946 HD21 LEU A 71 0.542 -8.563 3.380 1.00 0.00 H ATOM 947 HD22 LEU A 71 -0.592 -9.335 2.244 1.00 0.00 H ATOM 948 HD23 LEU A 71 -1.163 -8.048 3.333 1.00 0.00 H ATOM 949 HD11 LEU A 71 -0.969 -10.066 6.429 1.00 0.00 H ATOM 950 HD12 LEU A 71 0.350 -9.023 5.844 1.00 0.00 H ATOM 951 HD13 LEU A 71 -1.335 -8.454 5.768 1.00 0.00 H ATOM 952 H LEU A 71 -0.004 -13.625 3.435 1.00 0.00 H ATOM 953 N GLN A 72 2.495 -10.273 2.154 1.00 13.82 N ATOM 954 CA GLN A 72 3.907 -9.942 2.018 1.00 15.26 C ATOM 955 C GLN A 72 4.240 -8.565 2.577 1.00 15.19 C ATOM 956 O GLN A 72 3.447 -7.627 2.469 1.00 14.36 O ATOM 957 CB GLN A 72 4.315 -9.992 0.541 1.00 16.71 C ATOM 958 CG GLN A 72 4.241 -11.375 -0.086 1.00 22.35 C ATOM 959 CD GLN A 72 4.937 -11.439 -1.435 1.00 24.89 C ATOM 960 OE1 GLN A 72 6.071 -10.985 -1.580 1.00 31.08 O ATOM 961 NE2 GLN A 72 4.267 -12.012 -2.421 1.00 28.03 N ATOM 962 HA GLN A 72 4.463 -10.681 2.595 1.00 0.00 H ATOM 963 HB2 GLN A 72 3.655 -9.329 -0.018 1.00 0.00 H ATOM 964 HB3 GLN A 72 5.341 -9.635 0.459 1.00 0.00 H ATOM 965 HG2 GLN A 72 4.715 -12.090 0.587 1.00 0.00 H ATOM 966 HG3 GLN A 72 3.193 -11.643 -0.220 1.00 0.00 H ATOM 967 HE22 GLN A 72 3.310 -12.382 -2.253 1.00 0.00 H ATOM 968 HE21 GLN A 72 4.697 -12.092 -3.364 1.00 0.00 H ATOM 969 H GLN A 72 1.781 -9.618 1.776 1.00 0.00 H ATOM 970 N ILE A 73 5.415 -8.452 3.188 1.00 15.25 N ATOM 971 CA ILE A 73 5.873 -7.177 3.724 1.00 15.59 C ATOM 972 C ILE A 73 5.833 -6.212 2.536 1.00 15.42 C ATOM 973 O ILE A 73 6.243 -6.572 1.432 1.00 15.98 O ATOM 974 CB ILE A 73 7.332 -7.288 4.256 1.00 17.93 C ATOM 975 CG1 ILE A 73 7.369 -8.198 5.488 1.00 17.47 C ATOM 976 CG2 ILE A 73 7.888 -5.900 4.584 1.00 17.42 C ATOM 977 CD1 ILE A 73 8.768 -8.451 6.038 1.00 21.24 C ATOM 978 HA ILE A 73 5.253 -6.848 4.558 1.00 0.00 H ATOM 979 HB ILE A 73 7.961 -7.727 3.482 1.00 0.00 H ATOM 980 HG12 ILE A 73 6.772 -7.735 6.273 1.00 0.00 H ATOM 981 HG13 ILE A 73 6.929 -9.158 5.217 1.00 0.00 H ATOM 982 HD11 ILE A 73 9.378 -8.927 5.270 1.00 0.00 H ATOM 983 HD12 ILE A 73 9.220 -7.502 6.327 1.00 0.00 H ATOM 984 HD13 ILE A 73 8.702 -9.104 6.908 1.00 0.00 H ATOM 985 HG21 ILE A 73 7.884 -5.286 3.683 1.00 0.00 H ATOM 986 HG22 ILE A 73 7.266 -5.432 5.347 1.00 0.00 H ATOM 987 HG23 ILE A 73 8.909 -5.997 4.954 1.00 0.00 H ATOM 988 H ILE A 73 6.021 -9.292 3.286 1.00 0.00 H ATOM 989 N GLY A 74 5.319 -5.005 2.748 1.00 12.70 N ATOM 990 CA GLY A 74 5.253 -4.042 1.661 1.00 12.14 C ATOM 991 C GLY A 74 3.899 -3.964 0.972 1.00 12.53 C ATOM 992 O GLY A 74 3.647 -3.033 0.212 1.00 11.26 O ATOM 993 HA3 GLY A 74 6.000 -4.317 0.916 1.00 0.00 H ATOM 994 HA2 GLY A 74 5.488 -3.057 2.063 1.00 0.00 H ATOM 995 H GLY A 74 4.964 -4.749 3.692 1.00 0.00 H ATOM 996 N ASP A 75 3.032 -4.943 1.220 1.00 12.28 N ATOM 997 CA ASP A 75 1.702 -4.950 0.626 1.00 13.20 C ATOM 998 C ASP A 75 0.901 -3.783 1.174 1.00 14.15 C ATOM 999 O ASP A 75 0.996 -3.448 2.358 1.00 14.44 O ATOM 1000 CB ASP A 75 0.926 -6.232 0.968 1.00 13.32 C ATOM 1001 CG ASP A 75 1.484 -7.465 0.290 1.00 15.45 C ATOM 1002 OD1 ASP A 75 2.326 -7.320 -0.623 1.00 14.30 O ATOM 1003 OD2 ASP A 75 1.058 -8.582 0.670 1.00 14.84 O ATOM 1004 HA ASP A 75 1.832 -4.884 -0.454 1.00 0.00 H ATOM 1005 HB2 ASP A 75 0.963 -6.383 2.047 1.00 0.00 H ATOM 1006 HB3 ASP A 75 -0.110 -6.104 0.656 1.00 0.00 H ATOM 1007 H ASP A 75 3.310 -5.720 1.852 1.00 0.00 H ATOM 1008 N LYS A 76 0.099 -3.182 0.309 1.00 13.12 N ATOM 1009 CA LYS A 76 -0.755 -2.081 0.699 1.00 13.87 C ATOM 1010 C LYS A 76 -2.159 -2.646 0.845 1.00 14.92 C ATOM 1011 O LYS A 76 -2.676 -3.272 -0.081 1.00 14.95 O ATOM 1012 CB LYS A 76 -0.754 -1.005 -0.382 1.00 16.32 C ATOM 1013 CG LYS A 76 -1.934 -0.061 -0.287 1.00 21.08 C ATOM 1014 CD LYS A 76 -1.589 1.171 0.494 1.00 23.35 C ATOM 1015 CE LYS A 76 -1.298 2.318 -0.449 1.00 23.39 C ATOM 1016 NZ LYS A 76 -2.518 2.753 -1.175 1.00 24.55 N ATOM 1017 HA LYS A 76 -0.405 -1.631 1.628 1.00 0.00 H ATOM 1018 HB2 LYS A 76 0.163 -0.423 -0.291 1.00 0.00 H ATOM 1019 HB3 LYS A 76 -0.778 -1.493 -1.356 1.00 0.00 H ATOM 1020 HG2 LYS A 76 -2.237 0.230 -1.293 1.00 0.00 H ATOM 1021 HG3 LYS A 76 -2.760 -0.574 0.206 1.00 0.00 H ATOM 1022 HD2 LYS A 76 -2.427 1.437 1.138 1.00 0.00 H ATOM 1023 HD3 LYS A 76 -0.709 0.975 1.107 1.00 0.00 H ATOM 1024 HE2 LYS A 76 -0.550 1.999 -1.174 1.00 0.00 H ATOM 1025 HE3 LYS A 76 -0.910 3.159 0.126 1.00 0.00 H ATOM 1026 HZ1 LYS A 76 -2.891 1.957 -1.731 1.00 0.00 H ATOM 1027 HZ2 LYS A 76 -3.235 3.065 -0.489 1.00 0.00 H ATOM 1028 HZ3 LYS A 76 -2.279 3.540 -1.811 1.00 0.00 H ATOM 1029 H LYS A 76 0.082 -3.510 -0.678 1.00 0.00 H ATOM 1030 N ILE A 77 -2.776 -2.428 2.002 1.00 15.23 N ATOM 1031 CA ILE A 77 -4.124 -2.925 2.234 1.00 15.43 C ATOM 1032 C ILE A 77 -5.149 -1.923 1.716 1.00 16.64 C ATOM 1033 O ILE A 77 -5.240 -0.794 2.205 1.00 16.21 O ATOM 1034 CB ILE A 77 -4.372 -3.194 3.735 1.00 15.25 C ATOM 1035 CG1 ILE A 77 -3.381 -4.257 4.233 1.00 14.30 C ATOM 1036 CG2 ILE A 77 -5.820 -3.629 3.952 1.00 11.55 C ATOM 1037 CD1 ILE A 77 -3.484 -4.580 5.729 1.00 13.09 C ATOM 1038 HA ILE A 77 -4.230 -3.866 1.695 1.00 0.00 H ATOM 1039 HB ILE A 77 -4.210 -2.282 4.309 1.00 0.00 H ATOM 1040 HG12 ILE A 77 -3.559 -5.176 3.674 1.00 0.00 H ATOM 1041 HG13 ILE A 77 -2.371 -3.901 4.031 1.00 0.00 H ATOM 1042 HD11 ILE A 77 -3.295 -3.676 6.308 1.00 0.00 H ATOM 1043 HD12 ILE A 77 -4.484 -4.953 5.951 1.00 0.00 H ATOM 1044 HD13 ILE A 77 -2.746 -5.340 5.987 1.00 0.00 H ATOM 1045 HG21 ILE A 77 -6.490 -2.839 3.612 1.00 0.00 H ATOM 1046 HG22 ILE A 77 -6.013 -4.540 3.386 1.00 0.00 H ATOM 1047 HG23 ILE A 77 -5.987 -3.817 5.013 1.00 0.00 H ATOM 1048 H ILE A 77 -2.289 -1.895 2.751 1.00 0.00 H ATOM 1049 N MET A 78 -5.914 -2.350 0.719 1.00 15.63 N ATOM 1050 CA MET A 78 -6.932 -1.509 0.102 1.00 17.25 C ATOM 1051 C MET A 78 -8.286 -1.679 0.773 1.00 16.43 C ATOM 1052 O MET A 78 -9.047 -0.725 0.921 1.00 14.94 O ATOM 1053 CB MET A 78 -7.087 -1.884 -1.370 1.00 18.47 C ATOM 1054 CG MET A 78 -5.813 -1.784 -2.180 1.00 21.82 C ATOM 1055 SD MET A 78 -5.284 -0.082 -2.333 1.00 27.38 S ATOM 1056 CE MET A 78 -6.280 0.441 -3.727 1.00 25.13 C ATOM 1057 HA MET A 78 -6.607 -0.474 0.212 1.00 0.00 H ATOM 1058 HB2 MET A 78 -7.445 -2.912 -1.424 1.00 0.00 H ATOM 1059 HB3 MET A 78 -7.827 -1.219 -1.815 1.00 0.00 H ATOM 1060 HG2 MET A 78 -5.989 -2.194 -3.175 1.00 0.00 H ATOM 1061 HG3 MET A 78 -5.030 -2.358 -1.685 1.00 0.00 H ATOM 1062 HE1 MET A 78 -6.041 -0.174 -4.594 1.00 0.00 H ATOM 1063 HE2 MET A 78 -7.336 0.328 -3.480 1.00 0.00 H ATOM 1064 HE3 MET A 78 -6.068 1.486 -3.952 1.00 0.00 H ATOM 1065 H MET A 78 -5.782 -3.319 0.365 1.00 0.00 H ATOM 1066 N GLN A 79 -8.575 -2.908 1.180 1.00 17.70 N ATOM 1067 CA GLN A 79 -9.863 -3.229 1.778 1.00 18.32 C ATOM 1068 C GLN A 79 -9.774 -4.433 2.713 1.00 17.75 C ATOM 1069 O GLN A 79 -8.889 -5.283 2.570 1.00 15.59 O ATOM 1070 CB GLN A 79 -10.846 -3.492 0.631 1.00 17.99 C ATOM 1071 CG GLN A 79 -12.165 -4.148 0.963 1.00 22.84 C ATOM 1072 CD GLN A 79 -12.955 -4.438 -0.306 1.00 23.12 C ATOM 1073 OE1 GLN A 79 -13.336 -3.521 -1.029 1.00 22.35 O ATOM 1074 NE2 GLN A 79 -13.180 -5.714 -0.590 1.00 22.42 N ATOM 1075 HA GLN A 79 -10.203 -2.396 2.393 1.00 0.00 H ATOM 1076 HB2 GLN A 79 -11.069 -2.531 0.169 1.00 0.00 H ATOM 1077 HB3 GLN A 79 -10.338 -4.132 -0.091 1.00 0.00 H ATOM 1078 HG2 GLN A 79 -11.977 -5.084 1.490 1.00 0.00 H ATOM 1079 HG3 GLN A 79 -12.745 -3.483 1.602 1.00 0.00 H ATOM 1080 HE22 GLN A 79 -12.839 -6.458 0.052 1.00 0.00 H ATOM 1081 HE21 GLN A 79 -13.698 -5.971 -1.455 1.00 0.00 H ATOM 1082 H GLN A 79 -7.865 -3.660 1.069 1.00 0.00 H ATOM 1083 N VAL A 80 -10.696 -4.488 3.671 1.00 17.40 N ATOM 1084 CA VAL A 80 -10.758 -5.575 4.644 1.00 19.01 C ATOM 1085 C VAL A 80 -12.228 -5.941 4.850 1.00 19.05 C ATOM 1086 O VAL A 80 -12.993 -5.162 5.417 1.00 18.64 O ATOM 1087 CB VAL A 80 -10.146 -5.150 6.005 1.00 18.80 C ATOM 1088 CG1 VAL A 80 -10.262 -6.288 7.007 1.00 20.59 C ATOM 1089 CG2 VAL A 80 -8.682 -4.763 5.822 1.00 18.83 C ATOM 1090 HA VAL A 80 -10.187 -6.423 4.268 1.00 0.00 H ATOM 1091 HB VAL A 80 -10.695 -4.288 6.384 1.00 0.00 H ATOM 1092 HG11 VAL A 80 -11.313 -6.540 7.149 1.00 0.00 H ATOM 1093 HG12 VAL A 80 -9.727 -7.159 6.629 1.00 0.00 H ATOM 1094 HG13 VAL A 80 -9.829 -5.978 7.958 1.00 0.00 H ATOM 1095 HG21 VAL A 80 -8.128 -5.616 5.430 1.00 0.00 H ATOM 1096 HG22 VAL A 80 -8.612 -3.931 5.122 1.00 0.00 H ATOM 1097 HG23 VAL A 80 -8.263 -4.467 6.784 1.00 0.00 H ATOM 1098 H VAL A 80 -11.401 -3.726 3.729 1.00 0.00 H ATOM 1099 N ASN A 81 -12.619 -7.124 4.384 1.00 19.22 N ATOM 1100 CA ASN A 81 -14.003 -7.572 4.504 1.00 19.94 C ATOM 1101 C ASN A 81 -14.999 -6.520 3.999 1.00 20.31 C ATOM 1102 O ASN A 81 -15.981 -6.200 4.678 1.00 20.68 O ATOM 1103 CB ASN A 81 -14.319 -7.932 5.955 1.00 18.67 C ATOM 1104 CG ASN A 81 -13.579 -9.179 6.421 1.00 21.31 C ATOM 1105 OD1 ASN A 81 -13.161 -10.010 5.611 1.00 20.85 O ATOM 1106 ND2 ASN A 81 -13.431 -9.322 7.730 1.00 20.84 N ATOM 1107 HA ASN A 81 -14.111 -8.456 3.875 1.00 0.00 H ATOM 1108 HB2 ASN A 81 -14.032 -7.096 6.593 1.00 0.00 H ATOM 1109 HB3 ASN A 81 -15.391 -8.107 6.047 1.00 0.00 H ATOM 1110 HD22 ASN A 81 -13.799 -8.596 8.377 1.00 0.00 H ATOM 1111 HD21 ASN A 81 -12.947 -10.160 8.110 1.00 0.00 H ATOM 1112 H ASN A 81 -11.922 -7.744 3.924 1.00 0.00 H ATOM 1113 N GLY A 82 -14.731 -5.983 2.810 1.00 18.59 N ATOM 1114 CA GLY A 82 -15.605 -4.983 2.218 1.00 18.56 C ATOM 1115 C GLY A 82 -15.360 -3.535 2.627 1.00 19.43 C ATOM 1116 O GLY A 82 -15.759 -2.614 1.910 1.00 19.43 O ATOM 1117 HA3 GLY A 82 -16.630 -5.235 2.491 1.00 0.00 H ATOM 1118 HA2 GLY A 82 -15.493 -5.045 1.136 1.00 0.00 H ATOM 1119 H GLY A 82 -13.880 -6.285 2.295 1.00 0.00 H ATOM 1120 N TRP A 83 -14.713 -3.325 3.770 1.00 17.85 N ATOM 1121 CA TRP A 83 -14.435 -1.975 4.270 1.00 18.74 C ATOM 1122 C TRP A 83 -13.211 -1.343 3.627 1.00 18.71 C ATOM 1123 O TRP A 83 -12.141 -1.952 3.585 1.00 17.46 O ATOM 1124 CB TRP A 83 -14.213 -1.993 5.784 1.00 18.81 C ATOM 1125 CG TRP A 83 -15.400 -2.397 6.585 1.00 20.60 C ATOM 1126 CD1 TRP A 83 -15.980 -3.633 6.636 1.00 21.48 C ATOM 1127 CD2 TRP A 83 -16.145 -1.564 7.477 1.00 20.57 C ATOM 1128 NE1 TRP A 83 -17.042 -3.620 7.512 1.00 22.96 N ATOM 1129 CE2 TRP A 83 -17.164 -2.361 8.041 1.00 22.19 C ATOM 1130 CE3 TRP A 83 -16.049 -0.219 7.856 1.00 21.18 C ATOM 1131 CZ2 TRP A 83 -18.084 -1.857 8.966 1.00 24.49 C ATOM 1132 CZ3 TRP A 83 -16.967 0.284 8.778 1.00 24.94 C ATOM 1133 CH2 TRP A 83 -17.969 -0.536 9.321 1.00 23.76 C ATOM 1134 HA TRP A 83 -15.311 -1.380 4.011 1.00 0.00 H ATOM 1135 HB2 TRP A 83 -13.404 -2.691 6.000 1.00 0.00 H ATOM 1136 HB3 TRP A 83 -13.919 -0.991 6.096 1.00 0.00 H ATOM 1137 HE1 TRP A 83 -17.652 -4.432 7.736 1.00 0.00 H ATOM 1138 HD1 TRP A 83 -15.650 -4.502 6.067 1.00 0.00 H ATOM 1139 HZ2 TRP A 83 -18.864 -2.490 9.390 1.00 0.00 H ATOM 1140 HH2 TRP A 83 -18.671 -0.114 10.040 1.00 0.00 H ATOM 1141 HZ3 TRP A 83 -16.906 1.329 9.081 1.00 0.00 H ATOM 1142 HE3 TRP A 83 -15.272 0.422 7.439 1.00 0.00 H ATOM 1143 H TRP A 83 -14.394 -4.144 4.326 1.00 0.00 H ATOM 1144 N ASP A 84 -13.363 -0.117 3.139 1.00 18.15 N ATOM 1145 CA ASP A 84 -12.240 0.565 2.524 1.00 21.39 C ATOM 1146 C ASP A 84 -11.182 0.845 3.577 1.00 20.56 C ATOM 1147 O ASP A 84 -11.501 1.077 4.741 1.00 22.18 O ATOM 1148 CB ASP A 84 -12.670 1.879 1.878 1.00 23.44 C ATOM 1149 CG ASP A 84 -11.489 2.650 1.314 1.00 24.10 C ATOM 1150 OD1 ASP A 84 -10.675 3.146 2.112 1.00 28.31 O ATOM 1151 OD2 ASP A 84 -11.366 2.749 0.076 1.00 26.69 O ATOM 1152 HA ASP A 84 -11.836 -0.081 1.744 1.00 0.00 H ATOM 1153 HB2 ASP A 84 -13.367 1.662 1.069 1.00 0.00 H ATOM 1154 HB3 ASP A 84 -13.166 2.494 2.628 1.00 0.00 H ATOM 1155 H ASP A 84 -14.288 0.355 3.198 1.00 0.00 H ATOM 1156 N MET A 85 -9.923 0.825 3.153 1.00 19.79 N ATOM 1157 CA MET A 85 -8.792 1.057 4.041 1.00 19.14 C ATOM 1158 C MET A 85 -7.844 2.100 3.451 1.00 20.42 C ATOM 1159 O MET A 85 -6.774 2.354 4.006 1.00 18.38 O ATOM 1160 CB MET A 85 -8.026 -0.257 4.250 1.00 18.61 C ATOM 1161 CG MET A 85 -8.791 -1.331 5.011 1.00 19.26 C ATOM 1162 SD MET A 85 -8.863 -0.987 6.792 1.00 19.77 S ATOM 1163 CE MET A 85 -7.367 -1.793 7.346 1.00 20.58 C ATOM 1164 HA MET A 85 -9.172 1.426 4.994 1.00 0.00 H ATOM 1165 HB2 MET A 85 -7.765 -0.657 3.270 1.00 0.00 H ATOM 1166 HB3 MET A 85 -7.114 -0.033 4.804 1.00 0.00 H ATOM 1167 HG2 MET A 85 -8.296 -2.290 4.858 1.00 0.00 H ATOM 1168 HG3 MET A 85 -9.808 -1.381 4.621 1.00 0.00 H ATOM 1169 HE1 MET A 85 -7.416 -2.854 7.103 1.00 0.00 H ATOM 1170 HE2 MET A 85 -6.508 -1.344 6.848 1.00 0.00 H ATOM 1171 HE3 MET A 85 -7.268 -1.671 8.425 1.00 0.00 H ATOM 1172 H MET A 85 -9.738 0.636 2.147 1.00 0.00 H ATOM 1173 N THR A 86 -8.241 2.698 2.328 1.00 21.65 N ATOM 1174 CA THR A 86 -7.415 3.690 1.643 1.00 23.33 C ATOM 1175 C THR A 86 -7.288 5.025 2.377 1.00 25.57 C ATOM 1176 O THR A 86 -6.239 5.668 2.321 1.00 27.11 O ATOM 1177 CB THR A 86 -7.933 3.957 0.213 1.00 22.30 C ATOM 1178 OG1 THR A 86 -9.213 4.601 0.269 1.00 21.52 O ATOM 1179 CG2 THR A 86 -8.066 2.646 -0.546 1.00 22.44 C ATOM 1180 HA THR A 86 -6.421 3.243 1.615 1.00 0.00 H ATOM 1181 HB THR A 86 -7.222 4.603 -0.301 1.00 0.00 H ATOM 1182 HG1 THR A 86 -9.855 4.017 0.745 1.00 0.00 H ATOM 1183 HG23 THR A 86 -7.095 2.153 -0.591 1.00 0.00 H ATOM 1184 HG21 THR A 86 -8.779 2.001 -0.032 1.00 0.00 H ATOM 1185 HG22 THR A 86 -8.420 2.847 -1.557 1.00 0.00 H ATOM 1186 H THR A 86 -9.168 2.451 1.926 1.00 0.00 H ATOM 1187 N MET A 87 -8.345 5.447 3.063 1.00 25.46 N ATOM 1188 CA MET A 87 -8.287 6.707 3.791 1.00 27.43 C ATOM 1189 C MET A 87 -8.856 6.608 5.204 1.00 25.14 C ATOM 1190 O MET A 87 -9.874 7.220 5.526 1.00 26.70 O ATOM 1191 CB MET A 87 -9.003 7.816 3.007 1.00 31.69 C ATOM 1192 CG MET A 87 -8.304 8.239 1.701 1.00 37.11 C ATOM 1193 SD MET A 87 -6.552 8.780 1.861 1.00 42.73 S ATOM 1194 CE MET A 87 -6.754 10.496 2.388 1.00 41.78 C ATOM 1195 HA MET A 87 -7.231 6.957 3.893 1.00 0.00 H ATOM 1196 HB2 MET A 87 -10.004 7.463 2.757 1.00 0.00 H ATOM 1197 HB3 MET A 87 -9.078 8.692 3.651 1.00 0.00 H ATOM 1198 HG2 MET A 87 -8.871 9.065 1.272 1.00 0.00 H ATOM 1199 HG3 MET A 87 -8.330 7.390 1.019 1.00 0.00 H ATOM 1200 HE1 MET A 87 -7.308 11.046 1.627 1.00 0.00 H ATOM 1201 HE2 MET A 87 -7.302 10.523 3.330 1.00 0.00 H ATOM 1202 HE3 MET A 87 -5.773 10.951 2.524 1.00 0.00 H ATOM 1203 H MET A 87 -9.215 4.877 3.080 1.00 0.00 H ATOM 1204 N VAL A 88 -8.190 5.829 6.047 1.00 22.07 N ATOM 1205 CA VAL A 88 -8.614 5.662 7.432 1.00 18.65 C ATOM 1206 C VAL A 88 -7.443 6.016 8.344 1.00 17.26 C ATOM 1207 O VAL A 88 -6.301 6.088 7.887 1.00 13.34 O ATOM 1208 CB VAL A 88 -9.047 4.205 7.715 1.00 18.57 C ATOM 1209 CG1 VAL A 88 -10.282 3.865 6.902 1.00 18.97 C ATOM 1210 CG2 VAL A 88 -7.903 3.240 7.380 1.00 18.79 C ATOM 1211 HA VAL A 88 -9.467 6.315 7.617 1.00 0.00 H ATOM 1212 HB VAL A 88 -9.286 4.104 8.774 1.00 0.00 H ATOM 1213 HG11 VAL A 88 -11.093 4.541 7.175 1.00 0.00 H ATOM 1214 HG12 VAL A 88 -10.058 3.974 5.841 1.00 0.00 H ATOM 1215 HG13 VAL A 88 -10.579 2.837 7.108 1.00 0.00 H ATOM 1216 HG21 VAL A 88 -7.643 3.338 6.326 1.00 0.00 H ATOM 1217 HG22 VAL A 88 -7.035 3.481 7.993 1.00 0.00 H ATOM 1218 HG23 VAL A 88 -8.221 2.217 7.584 1.00 0.00 H ATOM 1219 H VAL A 88 -7.344 5.325 5.711 1.00 0.00 H ATOM 1220 N THR A 89 -7.728 6.264 9.620 1.00 16.34 N ATOM 1221 CA THR A 89 -6.671 6.574 10.575 1.00 14.93 C ATOM 1222 C THR A 89 -5.997 5.253 10.937 1.00 13.89 C ATOM 1223 O THR A 89 -6.509 4.170 10.622 1.00 12.60 O ATOM 1224 CB THR A 89 -7.222 7.213 11.869 1.00 16.27 C ATOM 1225 OG1 THR A 89 -8.140 6.310 12.494 1.00 21.16 O ATOM 1226 CG2 THR A 89 -7.938 8.516 11.560 1.00 18.66 C ATOM 1227 HA THR A 89 -5.983 7.288 10.124 1.00 0.00 H ATOM 1228 HB THR A 89 -6.386 7.419 12.537 1.00 0.00 H ATOM 1229 HG1 THR A 89 -8.492 6.721 13.323 1.00 0.00 H ATOM 1230 HG23 THR A 89 -7.243 9.207 11.084 1.00 0.00 H ATOM 1231 HG21 THR A 89 -8.774 8.319 10.889 1.00 0.00 H ATOM 1232 HG22 THR A 89 -8.310 8.953 12.487 1.00 0.00 H ATOM 1233 H THR A 89 -8.717 6.236 9.940 1.00 0.00 H ATOM 1234 N HIS A 90 -4.846 5.337 11.588 1.00 11.11 N ATOM 1235 CA HIS A 90 -4.129 4.136 11.980 1.00 11.90 C ATOM 1236 C HIS A 90 -5.035 3.299 12.883 1.00 14.00 C ATOM 1237 O HIS A 90 -5.170 2.086 12.701 1.00 14.80 O ATOM 1238 CB HIS A 90 -2.846 4.509 12.724 1.00 8.94 C ATOM 1239 CG HIS A 90 -1.907 3.362 12.906 1.00 13.23 C ATOM 1240 ND1 HIS A 90 -1.140 2.859 11.878 1.00 13.59 N ATOM 1241 CD2 HIS A 90 -1.651 2.582 13.983 1.00 11.80 C ATOM 1242 CE1 HIS A 90 -0.455 1.816 12.313 1.00 12.89 C ATOM 1243 NE2 HIS A 90 -0.748 1.628 13.586 1.00 14.43 N ATOM 1244 HA HIS A 90 -3.858 3.562 11.094 1.00 0.00 H ATOM 1245 HB2 HIS A 90 -2.334 5.288 12.160 1.00 0.00 H ATOM 1246 HB3 HIS A 90 -3.117 4.893 13.708 1.00 0.00 H ATOM 1247 HD2 HIS A 90 -2.081 2.691 14.978 1.00 0.00 H ATOM 1248 HE1 HIS A 90 0.234 1.214 11.721 1.00 0.00 H ATOM 1249 H HIS A 90 -4.452 6.271 11.820 1.00 0.00 H ATOM 1250 N ASP A 91 -5.680 3.962 13.839 1.00 16.07 N ATOM 1251 CA ASP A 91 -6.564 3.280 14.779 1.00 18.46 C ATOM 1252 C ASP A 91 -7.736 2.603 14.082 1.00 18.14 C ATOM 1253 O ASP A 91 -8.066 1.452 14.381 1.00 18.97 O ATOM 1254 CB ASP A 91 -7.080 4.267 15.829 1.00 21.52 C ATOM 1255 CG ASP A 91 -7.958 3.603 16.867 1.00 22.80 C ATOM 1256 OD1 ASP A 91 -7.518 2.594 17.467 1.00 23.27 O ATOM 1257 OD2 ASP A 91 -9.083 4.093 17.081 1.00 23.08 O ATOM 1258 HA ASP A 91 -5.978 2.500 15.265 1.00 0.00 H ATOM 1259 HB2 ASP A 91 -6.226 4.721 16.332 1.00 0.00 H ATOM 1260 HB3 ASP A 91 -7.658 5.042 15.326 1.00 0.00 H ATOM 1261 H ASP A 91 -5.551 4.991 13.919 1.00 0.00 H ATOM 1262 N GLN A 92 -8.370 3.315 13.156 1.00 18.67 N ATOM 1263 CA GLN A 92 -9.491 2.746 12.416 1.00 19.26 C ATOM 1264 C GLN A 92 -9.037 1.507 11.656 1.00 17.70 C ATOM 1265 O GLN A 92 -9.735 0.495 11.626 1.00 17.18 O ATOM 1266 CB GLN A 92 -10.055 3.770 11.439 1.00 20.99 C ATOM 1267 CG GLN A 92 -10.924 4.829 12.092 1.00 22.13 C ATOM 1268 CD GLN A 92 -11.440 5.835 11.090 1.00 25.08 C ATOM 1269 OE1 GLN A 92 -12.608 6.224 11.131 1.00 27.58 O ATOM 1270 NE2 GLN A 92 -10.568 6.267 10.181 1.00 21.94 N ATOM 1271 HA GLN A 92 -10.271 2.468 13.125 1.00 0.00 H ATOM 1272 HB2 GLN A 92 -9.221 4.267 10.943 1.00 0.00 H ATOM 1273 HB3 GLN A 92 -10.655 3.243 10.697 1.00 0.00 H ATOM 1274 HG2 GLN A 92 -11.773 4.342 12.571 1.00 0.00 H ATOM 1275 HG3 GLN A 92 -10.335 5.352 12.845 1.00 0.00 H ATOM 1276 HE22 GLN A 92 -9.591 5.909 10.186 1.00 0.00 H ATOM 1277 HE21 GLN A 92 -10.864 6.962 9.466 1.00 0.00 H ATOM 1278 H GLN A 92 -8.064 4.289 12.957 1.00 0.00 H ATOM 1279 N ALA A 93 -7.864 1.595 11.037 1.00 17.23 N ATOM 1280 CA ALA A 93 -7.312 0.474 10.292 1.00 15.72 C ATOM 1281 C ALA A 93 -7.206 -0.720 11.232 1.00 16.81 C ATOM 1282 O ALA A 93 -7.655 -1.824 10.911 1.00 18.07 O ATOM 1283 CB ALA A 93 -5.941 0.841 9.747 1.00 16.80 C ATOM 1284 HA ALA A 93 -7.958 0.225 9.450 1.00 0.00 H ATOM 1285 HB1 ALA A 93 -6.033 1.703 9.086 1.00 0.00 H ATOM 1286 HB2 ALA A 93 -5.276 1.086 10.575 1.00 0.00 H ATOM 1287 HB3 ALA A 93 -5.535 -0.004 9.191 1.00 0.00 H ATOM 1288 H ALA A 93 -7.329 2.485 11.086 1.00 0.00 H ATOM 1289 N ARG A 94 -6.625 -0.486 12.403 1.00 16.63 N ATOM 1290 CA ARG A 94 -6.458 -1.533 13.403 1.00 17.94 C ATOM 1291 C ARG A 94 -7.782 -2.168 13.820 1.00 18.51 C ATOM 1292 O ARG A 94 -7.909 -3.396 13.861 1.00 18.74 O ATOM 1293 CB ARG A 94 -5.754 -0.974 14.641 1.00 16.63 C ATOM 1294 CG ARG A 94 -5.753 -1.926 15.835 1.00 21.22 C ATOM 1295 CD ARG A 94 -4.892 -1.374 16.965 1.00 23.25 C ATOM 1296 NE ARG A 94 -5.238 0.008 17.288 1.00 28.12 N ATOM 1297 CZ ARG A 94 -4.359 0.923 17.695 1.00 30.40 C ATOM 1298 NH1 ARG A 94 -3.075 0.604 17.828 1.00 32.47 N ATOM 1299 NH2 ARG A 94 -4.760 2.157 17.966 1.00 30.50 N ATOM 1300 HA ARG A 94 -5.850 -2.311 12.941 1.00 0.00 H ATOM 1301 HB2 ARG A 94 -4.720 -0.753 14.377 1.00 0.00 H ATOM 1302 HB3 ARG A 94 -6.257 -0.053 14.936 1.00 0.00 H ATOM 1303 HG2 ARG A 94 -6.775 -2.053 16.193 1.00 0.00 H ATOM 1304 HG3 ARG A 94 -5.357 -2.892 15.522 1.00 0.00 H ATOM 1305 HD2 ARG A 94 -3.845 -1.414 16.663 1.00 0.00 H ATOM 1306 HD3 ARG A 94 -5.037 -1.990 17.852 1.00 0.00 H ATOM 1307 HE ARG A 94 -6.233 0.296 17.194 1.00 0.00 H ATOM 1308 HH12 ARG A 94 -2.391 1.320 18.146 1.00 0.00 H ATOM 1309 HH11 ARG A 94 -2.754 -0.362 17.614 1.00 0.00 H ATOM 1310 HH22 ARG A 94 -4.072 2.869 18.284 1.00 0.00 H ATOM 1311 HH21 ARG A 94 -5.763 2.413 17.861 1.00 0.00 H ATOM 1312 H ARG A 94 -6.279 0.472 12.613 1.00 0.00 H ATOM 1313 N LYS A 95 -8.764 -1.331 14.137 1.00 18.85 N ATOM 1314 CA LYS A 95 -10.070 -1.819 14.560 1.00 21.00 C ATOM 1315 C LYS A 95 -10.720 -2.723 13.513 1.00 20.03 C ATOM 1316 O LYS A 95 -11.322 -3.738 13.855 1.00 19.91 O ATOM 1317 CB LYS A 95 -10.996 -0.639 14.883 1.00 21.40 C ATOM 1318 CG LYS A 95 -10.683 0.060 16.210 1.00 26.41 C ATOM 1319 CD LYS A 95 -11.657 1.215 16.464 1.00 30.11 C ATOM 1320 CE LYS A 95 -11.712 1.618 17.940 1.00 34.33 C ATOM 1321 NZ LYS A 95 -10.474 2.275 18.455 1.00 34.40 N ATOM 1322 HA LYS A 95 -9.915 -2.420 15.456 1.00 0.00 H ATOM 1323 HB2 LYS A 95 -10.908 0.094 14.081 1.00 0.00 H ATOM 1324 HB3 LYS A 95 -12.020 -1.009 14.925 1.00 0.00 H ATOM 1325 HG2 LYS A 95 -10.766 -0.662 17.022 1.00 0.00 H ATOM 1326 HG3 LYS A 95 -9.666 0.451 16.176 1.00 0.00 H ATOM 1327 HD2 LYS A 95 -11.339 2.077 15.877 1.00 0.00 H ATOM 1328 HD3 LYS A 95 -12.654 0.909 16.147 1.00 0.00 H ATOM 1329 HE2 LYS A 95 -11.891 0.720 18.531 1.00 0.00 H ATOM 1330 HE3 LYS A 95 -12.544 2.310 18.072 1.00 0.00 H ATOM 1331 HZ1 LYS A 95 -9.669 1.625 18.350 1.00 0.00 H ATOM 1332 HZ2 LYS A 95 -10.293 3.144 17.913 1.00 0.00 H ATOM 1333 HZ3 LYS A 95 -10.601 2.512 19.460 1.00 0.00 H ATOM 1334 H LYS A 95 -8.597 -0.306 14.082 1.00 0.00 H ATOM 1335 N ARG A 96 -10.583 -2.351 12.243 1.00 20.54 N ATOM 1336 CA ARG A 96 -11.156 -3.111 11.129 1.00 21.98 C ATOM 1337 C ARG A 96 -10.545 -4.508 11.011 1.00 21.30 C ATOM 1338 O ARG A 96 -11.195 -5.451 10.552 1.00 19.88 O ATOM 1339 CB ARG A 96 -10.920 -2.373 9.808 1.00 21.32 C ATOM 1340 CG ARG A 96 -11.414 -0.938 9.755 1.00 28.08 C ATOM 1341 CD ARG A 96 -12.854 -0.861 9.299 1.00 31.15 C ATOM 1342 NE ARG A 96 -13.113 0.334 8.492 1.00 33.50 N ATOM 1343 CZ ARG A 96 -13.257 1.562 8.978 1.00 33.39 C ATOM 1344 NH1 ARG A 96 -13.168 1.777 10.285 1.00 35.29 N ATOM 1345 NH2 ARG A 96 -13.506 2.574 8.154 1.00 31.35 N ATOM 1346 HA ARG A 96 -12.222 -3.209 11.332 1.00 0.00 H ATOM 1347 HB2 ARG A 96 -9.847 -2.365 9.616 1.00 0.00 H ATOM 1348 HB3 ARG A 96 -11.425 -2.930 9.019 1.00 0.00 H ATOM 1349 HG2 ARG A 96 -11.334 -0.499 10.749 1.00 0.00 H ATOM 1350 HG3 ARG A 96 -10.792 -0.375 9.059 1.00 0.00 H ATOM 1351 HD2 ARG A 96 -13.500 -0.840 10.176 1.00 0.00 H ATOM 1352 HD3 ARG A 96 -13.082 -1.744 8.703 1.00 0.00 H ATOM 1353 HE ARG A 96 -13.190 0.212 7.462 1.00 0.00 H ATOM 1354 HH12 ARG A 96 -13.281 2.739 10.663 1.00 0.00 H ATOM 1355 HH11 ARG A 96 -12.985 0.983 10.931 1.00 0.00 H ATOM 1356 HH22 ARG A 96 -13.619 3.536 8.532 1.00 0.00 H ATOM 1357 HH21 ARG A 96 -13.588 2.404 7.131 1.00 0.00 H ATOM 1358 H ARG A 96 -10.047 -1.485 12.032 1.00 0.00 H ATOM 1359 N LEU A 97 -9.286 -4.626 11.415 1.00 21.07 N ATOM 1360 CA LEU A 97 -8.562 -5.888 11.344 1.00 22.06 C ATOM 1361 C LEU A 97 -8.599 -6.674 12.650 1.00 23.96 C ATOM 1362 O LEU A 97 -8.028 -7.761 12.739 1.00 27.42 O ATOM 1363 CB LEU A 97 -7.107 -5.615 10.953 1.00 19.35 C ATOM 1364 CG LEU A 97 -6.913 -5.091 9.528 1.00 19.86 C ATOM 1365 CD1 LEU A 97 -5.574 -4.365 9.396 1.00 18.65 C ATOM 1366 CD2 LEU A 97 -7.006 -6.262 8.561 1.00 18.03 C ATOM 1367 HA LEU A 97 -9.059 -6.501 10.592 1.00 0.00 H ATOM 1368 HB2 LEU A 97 -6.703 -4.876 11.644 1.00 0.00 H ATOM 1369 HB3 LEU A 97 -6.549 -6.546 11.051 1.00 0.00 H ATOM 1370 HG LEU A 97 -7.694 -4.368 9.291 1.00 0.00 H ATOM 1371 HD21 LEU A 97 -6.230 -6.989 8.798 1.00 0.00 H ATOM 1372 HD22 LEU A 97 -7.986 -6.731 8.654 1.00 0.00 H ATOM 1373 HD23 LEU A 97 -6.869 -5.901 7.542 1.00 0.00 H ATOM 1374 HD11 LEU A 97 -5.549 -3.523 10.088 1.00 0.00 H ATOM 1375 HD12 LEU A 97 -4.763 -5.055 9.632 1.00 0.00 H ATOM 1376 HD13 LEU A 97 -5.458 -4.002 8.375 1.00 0.00 H ATOM 1377 H LEU A 97 -8.800 -3.789 11.795 1.00 0.00 H ATOM 1378 N THR A 98 -9.274 -6.137 13.660 1.00 24.03 N ATOM 1379 CA THR A 98 -9.336 -6.812 14.951 1.00 23.50 C ATOM 1380 C THR A 98 -10.747 -7.043 15.484 1.00 23.92 C ATOM 1381 O THR A 98 -10.999 -6.877 16.677 1.00 23.88 O ATOM 1382 CB THR A 98 -8.526 -6.035 16.020 1.00 23.33 C ATOM 1383 OG1 THR A 98 -9.083 -4.727 16.195 1.00 23.19 O ATOM 1384 CG2 THR A 98 -7.069 -5.904 15.592 1.00 22.86 C ATOM 1385 HA THR A 98 -8.901 -7.794 14.765 1.00 0.00 H ATOM 1386 HB THR A 98 -8.575 -6.586 16.959 1.00 0.00 H ATOM 1387 HG1 THR A 98 -9.047 -4.237 15.336 1.00 0.00 H ATOM 1388 HG23 THR A 98 -6.640 -6.897 15.457 1.00 0.00 H ATOM 1389 HG21 THR A 98 -7.016 -5.354 14.653 1.00 0.00 H ATOM 1390 HG22 THR A 98 -6.513 -5.368 16.361 1.00 0.00 H ATOM 1391 H THR A 98 -9.762 -5.228 13.529 1.00 0.00 H ATOM 1392 N LYS A 99 -11.670 -7.419 14.607 1.00 23.94 N ATOM 1393 CA LYS A 99 -13.033 -7.687 15.049 1.00 25.11 C ATOM 1394 C LYS A 99 -12.999 -9.098 15.625 1.00 25.11 C ATOM 1395 O LYS A 99 -12.859 -10.077 14.890 1.00 23.73 O ATOM 1396 CB LYS A 99 -14.012 -7.622 13.876 1.00 27.69 C ATOM 1397 CG LYS A 99 -13.876 -6.376 13.005 1.00 31.94 C ATOM 1398 CD LYS A 99 -14.005 -5.083 13.806 1.00 33.91 C ATOM 1399 CE LYS A 99 -15.388 -4.918 14.415 1.00 36.00 C ATOM 1400 NZ LYS A 99 -15.545 -3.563 15.018 1.00 37.99 N ATOM 1401 HA LYS A 99 -13.367 -6.950 15.779 1.00 0.00 H ATOM 1402 HB2 LYS A 99 -13.848 -8.497 13.247 1.00 0.00 H ATOM 1403 HB3 LYS A 99 -15.025 -7.649 14.276 1.00 0.00 H ATOM 1404 HG2 LYS A 99 -12.899 -6.392 12.522 1.00 0.00 H ATOM 1405 HG3 LYS A 99 -14.656 -6.395 12.244 1.00 0.00 H ATOM 1406 HD2 LYS A 99 -13.267 -5.092 14.608 1.00 0.00 H ATOM 1407 HD3 LYS A 99 -13.810 -4.239 13.144 1.00 0.00 H ATOM 1408 HE2 LYS A 99 -15.530 -5.672 15.189 1.00 0.00 H ATOM 1409 HE3 LYS A 99 -16.139 -5.052 13.637 1.00 0.00 H ATOM 1410 HZ1 LYS A 99 -14.832 -3.432 15.764 1.00 0.00 H ATOM 1411 HZ2 LYS A 99 -15.415 -2.840 14.282 1.00 0.00 H ATOM 1412 HZ3 LYS A 99 -16.497 -3.475 15.427 1.00 0.00 H ATOM 1413 H LYS A 99 -11.420 -7.523 13.603 1.00 0.00 H ATOM 1414 N ARG A 100 -13.116 -9.192 16.944 1.00 25.55 N ATOM 1415 CA ARG A 100 -13.070 -10.476 17.629 1.00 26.92 C ATOM 1416 C ARG A 100 -14.077 -11.490 17.094 1.00 26.06 C ATOM 1417 O ARG A 100 -13.816 -12.690 17.106 1.00 26.24 O ATOM 1418 CB ARG A 100 -13.284 -10.276 19.134 1.00 28.52 C ATOM 1419 CG ARG A 100 -12.396 -9.197 19.747 1.00 33.67 C ATOM 1420 CD ARG A 100 -12.307 -9.319 21.264 1.00 38.53 C ATOM 1421 NE ARG A 100 -11.242 -10.234 21.673 1.00 43.45 N ATOM 1422 CZ ARG A 100 -11.361 -11.143 22.637 1.00 44.78 C ATOM 1423 NH1 ARG A 100 -12.503 -11.268 23.298 1.00 46.63 N ATOM 1424 NH2 ARG A 100 -10.339 -11.930 22.941 1.00 45.33 N ATOM 1425 HA ARG A 100 -12.080 -10.890 17.438 1.00 0.00 H ATOM 1426 HB2 ARG A 100 -14.325 -9.999 19.299 1.00 0.00 H ATOM 1427 HB3 ARG A 100 -13.076 -11.219 19.639 1.00 0.00 H ATOM 1428 HG2 ARG A 100 -11.394 -9.286 19.328 1.00 0.00 H ATOM 1429 HG3 ARG A 100 -12.807 -8.219 19.497 1.00 0.00 H ATOM 1430 HD2 ARG A 100 -13.258 -9.691 21.645 1.00 0.00 H ATOM 1431 HD3 ARG A 100 -12.108 -8.334 21.687 1.00 0.00 H ATOM 1432 HE ARG A 100 -10.330 -10.170 21.177 1.00 0.00 H ATOM 1433 HH12 ARG A 100 -12.593 -11.980 24.051 1.00 0.00 H ATOM 1434 HH11 ARG A 100 -13.309 -10.654 23.064 1.00 0.00 H ATOM 1435 HH22 ARG A 100 -10.435 -12.640 23.695 1.00 0.00 H ATOM 1436 HH21 ARG A 100 -9.441 -11.838 22.425 1.00 0.00 H ATOM 1437 H ARG A 100 -13.244 -8.325 17.503 1.00 0.00 H ATOM 1438 N SER A 101 -15.218 -11.010 16.613 1.00 25.65 N ATOM 1439 CA SER A 101 -16.255 -11.902 16.099 1.00 27.11 C ATOM 1440 C SER A 101 -15.923 -12.500 14.735 1.00 26.70 C ATOM 1441 O SER A 101 -16.616 -13.403 14.262 1.00 28.58 O ATOM 1442 CB SER A 101 -17.590 -11.162 16.004 1.00 26.31 C ATOM 1443 OG SER A 101 -17.561 -10.196 14.966 1.00 28.79 O ATOM 1444 HA SER A 101 -16.319 -12.727 16.809 1.00 0.00 H ATOM 1445 HB2 SER A 101 -17.789 -10.662 16.952 1.00 0.00 H ATOM 1446 HB3 SER A 101 -18.383 -11.881 15.800 1.00 0.00 H ATOM 1447 HG SER A 101 -18.434 -9.731 14.925 1.00 0.00 H ATOM 1448 H SER A 101 -15.376 -9.982 16.602 1.00 0.00 H ATOM 1449 N GLU A 102 -14.871 -11.999 14.100 1.00 25.32 N ATOM 1450 CA GLU A 102 -14.490 -12.502 12.787 1.00 25.43 C ATOM 1451 C GLU A 102 -13.283 -13.430 12.872 1.00 24.81 C ATOM 1452 O GLU A 102 -12.271 -13.099 13.495 1.00 24.17 O ATOM 1453 CB GLU A 102 -14.185 -11.337 11.842 1.00 25.47 C ATOM 1454 CG GLU A 102 -15.296 -10.303 11.759 1.00 26.94 C ATOM 1455 CD GLU A 102 -15.027 -9.244 10.708 1.00 29.05 C ATOM 1456 OE1 GLU A 102 -13.901 -8.704 10.688 1.00 27.02 O ATOM 1457 OE2 GLU A 102 -15.941 -8.948 9.905 1.00 30.40 O ATOM 1458 HA GLU A 102 -15.330 -13.076 12.396 1.00 0.00 H ATOM 1459 HB2 GLU A 102 -13.279 -10.841 12.190 1.00 0.00 H ATOM 1460 HB3 GLU A 102 -14.016 -11.740 10.844 1.00 0.00 H ATOM 1461 HG2 GLU A 102 -16.229 -10.811 11.513 1.00 0.00 H ATOM 1462 HG3 GLU A 102 -15.394 -9.816 12.729 1.00 0.00 H ATOM 1463 H GLU A 102 -14.314 -11.241 14.543 1.00 0.00 H ATOM 1464 N GLU A 103 -13.403 -14.593 12.241 1.00 22.76 N ATOM 1465 CA GLU A 103 -12.335 -15.586 12.231 1.00 22.64 C ATOM 1466 C GLU A 103 -11.506 -15.443 10.970 1.00 20.84 C ATOM 1467 O GLU A 103 -10.285 -15.593 10.992 1.00 19.09 O ATOM 1468 CB GLU A 103 -12.916 -16.998 12.268 1.00 25.14 C ATOM 1469 CG GLU A 103 -11.865 -18.060 12.471 1.00 28.90 C ATOM 1470 CD GLU A 103 -11.199 -17.910 13.817 1.00 33.06 C ATOM 1471 OE1 GLU A 103 -11.911 -18.033 14.837 1.00 34.92 O ATOM 1472 OE2 GLU A 103 -9.976 -17.656 13.856 1.00 34.04 O ATOM 1473 HA GLU A 103 -11.713 -15.422 13.111 1.00 0.00 H ATOM 1474 HB2 GLU A 103 -13.634 -17.058 13.086 1.00 0.00 H ATOM 1475 HB3 GLU A 103 -13.426 -17.189 11.324 1.00 0.00 H ATOM 1476 HG2 GLU A 103 -12.334 -19.042 12.412 1.00 0.00 H ATOM 1477 HG3 GLU A 103 -11.112 -17.971 11.688 1.00 0.00 H ATOM 1478 H GLU A 103 -14.288 -14.802 11.737 1.00 0.00 H ATOM 1479 N VAL A 104 -12.190 -15.165 9.866 1.00 20.41 N ATOM 1480 CA VAL A 104 -11.534 -15.009 8.577 1.00 21.86 C ATOM 1481 C VAL A 104 -11.558 -13.561 8.128 1.00 22.71 C ATOM 1482 O VAL A 104 -12.624 -12.951 8.006 1.00 24.14 O ATOM 1483 CB VAL A 104 -12.220 -15.858 7.496 1.00 21.58 C ATOM 1484 CG1 VAL A 104 -11.463 -15.738 6.185 1.00 21.56 C ATOM 1485 CG2 VAL A 104 -12.294 -17.304 7.947 1.00 21.47 C ATOM 1486 HA VAL A 104 -10.504 -15.342 8.705 1.00 0.00 H ATOM 1487 HB VAL A 104 -13.235 -15.493 7.340 1.00 0.00 H ATOM 1488 HG11 VAL A 104 -11.450 -14.695 5.869 1.00 0.00 H ATOM 1489 HG12 VAL A 104 -10.441 -16.090 6.324 1.00 0.00 H ATOM 1490 HG13 VAL A 104 -11.957 -16.343 5.425 1.00 0.00 H ATOM 1491 HG21 VAL A 104 -11.286 -17.682 8.117 1.00 0.00 H ATOM 1492 HG22 VAL A 104 -12.867 -17.366 8.872 1.00 0.00 H ATOM 1493 HG23 VAL A 104 -12.782 -17.899 7.175 1.00 0.00 H ATOM 1494 H VAL A 104 -13.223 -15.056 9.925 1.00 0.00 H ATOM 1495 N VAL A 105 -10.376 -13.008 7.892 1.00 23.18 N ATOM 1496 CA VAL A 105 -10.281 -11.636 7.439 1.00 23.07 C ATOM 1497 C VAL A 105 -9.840 -11.669 5.978 1.00 23.51 C ATOM 1498 O VAL A 105 -8.738 -12.132 5.648 1.00 22.00 O ATOM 1499 CB VAL A 105 -9.293 -10.820 8.324 1.00 25.38 C ATOM 1500 CG1 VAL A 105 -7.872 -11.311 8.148 1.00 27.16 C ATOM 1501 CG2 VAL A 105 -9.400 -9.354 7.997 1.00 27.56 C ATOM 1502 HA VAL A 105 -11.245 -11.135 7.524 1.00 0.00 H ATOM 1503 HB VAL A 105 -9.564 -10.965 9.370 1.00 0.00 H ATOM 1504 HG11 VAL A 105 -7.813 -12.361 8.436 1.00 0.00 H ATOM 1505 HG12 VAL A 105 -7.578 -11.202 7.104 1.00 0.00 H ATOM 1506 HG13 VAL A 105 -7.205 -10.723 8.778 1.00 0.00 H ATOM 1507 HG21 VAL A 105 -9.154 -9.198 6.947 1.00 0.00 H ATOM 1508 HG22 VAL A 105 -10.418 -9.014 8.187 1.00 0.00 H ATOM 1509 HG23 VAL A 105 -8.705 -8.792 8.621 1.00 0.00 H ATOM 1510 H VAL A 105 -9.509 -13.565 8.034 1.00 0.00 H ATOM 1511 N ARG A 106 -10.734 -11.217 5.100 1.00 22.61 N ATOM 1512 CA ARG A 106 -10.461 -11.184 3.666 1.00 22.88 C ATOM 1513 C ARG A 106 -9.883 -9.830 3.281 1.00 20.73 C ATOM 1514 O ARG A 106 -10.493 -8.794 3.532 1.00 21.69 O ATOM 1515 CB ARG A 106 -11.747 -11.442 2.874 1.00 25.32 C ATOM 1516 CG ARG A 106 -12.372 -12.805 3.132 1.00 31.60 C ATOM 1517 CD ARG A 106 -13.657 -12.985 2.334 1.00 35.59 C ATOM 1518 NE ARG A 106 -14.646 -11.954 2.650 1.00 40.21 N ATOM 1519 CZ ARG A 106 -15.170 -11.754 3.858 1.00 42.55 C ATOM 1520 NH1 ARG A 106 -14.804 -12.515 4.884 1.00 43.69 N ATOM 1521 NH2 ARG A 106 -16.065 -10.790 4.043 1.00 43.21 N ATOM 1522 HA ARG A 106 -9.739 -11.965 3.429 1.00 0.00 H ATOM 1523 HB2 ARG A 106 -12.474 -10.675 3.142 1.00 0.00 H ATOM 1524 HB3 ARG A 106 -11.516 -11.366 1.811 1.00 0.00 H ATOM 1525 HG2 ARG A 106 -11.663 -13.581 2.844 1.00 0.00 H ATOM 1526 HG3 ARG A 106 -12.598 -12.897 4.194 1.00 0.00 H ATOM 1527 HD2 ARG A 106 -14.081 -13.962 2.564 1.00 0.00 H ATOM 1528 HD3 ARG A 106 -13.422 -12.934 1.271 1.00 0.00 H ATOM 1529 HE ARG A 106 -14.962 -11.334 1.877 1.00 0.00 H ATOM 1530 HH12 ARG A 106 -15.217 -12.353 5.825 1.00 0.00 H ATOM 1531 HH11 ARG A 106 -14.104 -13.272 4.746 1.00 0.00 H ATOM 1532 HH22 ARG A 106 -16.474 -10.634 4.986 1.00 0.00 H ATOM 1533 HH21 ARG A 106 -16.357 -10.191 3.244 1.00 0.00 H ATOM 1534 H ARG A 106 -11.654 -10.877 5.446 1.00 0.00 H ATOM 1535 N LEU A 107 -8.706 -9.839 2.666 1.00 18.86 N ATOM 1536 CA LEU A 107 -8.065 -8.593 2.268 1.00 18.20 C ATOM 1537 C LEU A 107 -7.878 -8.402 0.770 1.00 18.55 C ATOM 1538 O LEU A 107 -7.717 -9.356 0.010 1.00 16.89 O ATOM 1539 CB LEU A 107 -6.688 -8.471 2.923 1.00 19.04 C ATOM 1540 CG LEU A 107 -6.534 -8.003 4.372 1.00 19.72 C ATOM 1541 CD1 LEU A 107 -7.496 -8.727 5.283 1.00 21.58 C ATOM 1542 CD2 LEU A 107 -5.096 -8.248 4.795 1.00 20.17 C ATOM 1543 HA LEU A 107 -8.757 -7.821 2.604 1.00 0.00 H ATOM 1544 HB2 LEU A 107 -6.232 -9.459 2.868 1.00 0.00 H ATOM 1545 HB3 LEU A 107 -6.116 -7.773 2.311 1.00 0.00 H ATOM 1546 HG LEU A 107 -6.768 -6.941 4.445 1.00 0.00 H ATOM 1547 HD21 LEU A 107 -4.872 -9.312 4.717 1.00 0.00 H ATOM 1548 HD22 LEU A 107 -4.426 -7.686 4.144 1.00 0.00 H ATOM 1549 HD23 LEU A 107 -4.961 -7.922 5.826 1.00 0.00 H ATOM 1550 HD11 LEU A 107 -8.518 -8.531 4.960 1.00 0.00 H ATOM 1551 HD12 LEU A 107 -7.299 -9.798 5.239 1.00 0.00 H ATOM 1552 HD13 LEU A 107 -7.363 -8.373 6.305 1.00 0.00 H ATOM 1553 H LEU A 107 -8.237 -10.745 2.466 1.00 0.00 H ATOM 1554 N LEU A 108 -7.932 -7.145 0.356 1.00 17.38 N ATOM 1555 CA LEU A 108 -7.657 -6.789 -1.020 1.00 17.29 C ATOM 1556 C LEU A 108 -6.390 -5.979 -0.836 1.00 17.32 C ATOM 1557 O LEU A 108 -6.392 -4.965 -0.134 1.00 18.11 O ATOM 1558 CB LEU A 108 -8.756 -5.917 -1.624 1.00 17.94 C ATOM 1559 CG LEU A 108 -9.826 -6.695 -2.389 1.00 20.17 C ATOM 1560 CD1 LEU A 108 -10.738 -5.716 -3.113 1.00 21.22 C ATOM 1561 CD2 LEU A 108 -9.162 -7.633 -3.390 1.00 18.52 C ATOM 1562 HA LEU A 108 -7.584 -7.644 -1.693 1.00 0.00 H ATOM 1563 HB2 LEU A 108 -9.243 -5.371 -0.815 1.00 0.00 H ATOM 1564 HB3 LEU A 108 -8.292 -5.209 -2.311 1.00 0.00 H ATOM 1565 HG LEU A 108 -10.418 -7.288 -1.691 1.00 0.00 H ATOM 1566 HD21 LEU A 108 -8.567 -7.050 -4.093 1.00 0.00 H ATOM 1567 HD22 LEU A 108 -8.517 -8.332 -2.858 1.00 0.00 H ATOM 1568 HD23 LEU A 108 -9.929 -8.185 -3.933 1.00 0.00 H ATOM 1569 HD11 LEU A 108 -11.214 -5.059 -2.385 1.00 0.00 H ATOM 1570 HD12 LEU A 108 -10.149 -5.121 -3.811 1.00 0.00 H ATOM 1571 HD13 LEU A 108 -11.502 -6.269 -3.659 1.00 0.00 H ATOM 1572 H LEU A 108 -8.178 -6.397 1.035 1.00 0.00 H ATOM 1573 N VAL A 109 -5.297 -6.450 -1.415 1.00 16.15 N ATOM 1574 CA VAL A 109 -4.039 -5.743 -1.282 1.00 17.40 C ATOM 1575 C VAL A 109 -3.407 -5.523 -2.636 1.00 17.32 C ATOM 1576 O VAL A 109 -3.814 -6.120 -3.640 1.00 16.79 O ATOM 1577 CB VAL A 109 -3.031 -6.533 -0.426 1.00 17.98 C ATOM 1578 CG1 VAL A 109 -3.629 -6.840 0.941 1.00 15.85 C ATOM 1579 CG2 VAL A 109 -2.637 -7.818 -1.148 1.00 18.47 C ATOM 1580 HA VAL A 109 -4.267 -4.792 -0.801 1.00 0.00 H ATOM 1581 HB VAL A 109 -2.135 -5.930 -0.277 1.00 0.00 H ATOM 1582 HG11 VAL A 109 -3.873 -5.906 1.447 1.00 0.00 H ATOM 1583 HG12 VAL A 109 -4.534 -7.434 0.815 1.00 0.00 H ATOM 1584 HG13 VAL A 109 -2.906 -7.399 1.535 1.00 0.00 H ATOM 1585 HG21 VAL A 109 -3.526 -8.427 -1.314 1.00 0.00 H ATOM 1586 HG22 VAL A 109 -2.181 -7.570 -2.106 1.00 0.00 H ATOM 1587 HG23 VAL A 109 -1.924 -8.372 -0.538 1.00 0.00 H ATOM 1588 H VAL A 109 -5.341 -7.330 -1.967 1.00 0.00 H ATOM 1589 N THR A 110 -2.409 -4.654 -2.657 1.00 16.64 N ATOM 1590 CA THR A 110 -1.681 -4.383 -3.879 1.00 17.30 C ATOM 1591 C THR A 110 -0.190 -4.353 -3.561 1.00 17.69 C ATOM 1592 O THR A 110 0.241 -3.729 -2.588 1.00 14.77 O ATOM 1593 CB THR A 110 -2.111 -3.039 -4.520 1.00 18.19 C ATOM 1594 OG1 THR A 110 -1.421 -2.877 -5.765 1.00 15.77 O ATOM 1595 CG2 THR A 110 -1.791 -1.858 -3.603 1.00 16.78 C ATOM 1596 HA THR A 110 -1.904 -5.171 -4.598 1.00 0.00 H ATOM 1597 HB THR A 110 -3.189 -3.059 -4.681 1.00 0.00 H ATOM 1598 HG1 THR A 110 -1.653 -3.626 -6.369 1.00 0.00 H ATOM 1599 HG23 THR A 110 -2.316 -1.982 -2.656 1.00 0.00 H ATOM 1600 HG21 THR A 110 -0.717 -1.821 -3.422 1.00 0.00 H ATOM 1601 HG22 THR A 110 -2.113 -0.932 -4.080 1.00 0.00 H ATOM 1602 H THR A 110 -2.144 -4.158 -1.782 1.00 0.00 H ATOM 1603 N ARG A 111 0.586 -5.067 -4.368 1.00 19.39 N ATOM 1604 CA ARG A 111 2.032 -5.117 -4.205 1.00 20.85 C ATOM 1605 C ARG A 111 2.629 -4.877 -5.585 1.00 23.74 C ATOM 1606 O ARG A 111 3.802 -5.152 -5.820 1.00 24.18 O ATOM 1607 CB ARG A 111 2.465 -6.491 -3.701 1.00 18.97 C ATOM 1608 CG ARG A 111 2.097 -7.613 -4.650 1.00 19.30 C ATOM 1609 CD ARG A 111 2.503 -8.962 -4.107 1.00 20.15 C ATOM 1610 NE ARG A 111 1.931 -9.197 -2.789 1.00 16.43 N ATOM 1611 CZ ARG A 111 1.645 -10.401 -2.312 1.00 20.48 C ATOM 1612 NH1 ARG A 111 1.878 -11.476 -3.053 1.00 19.72 N ATOM 1613 NH2 ARG A 111 1.121 -10.534 -1.102 1.00 16.21 N ATOM 1614 HA ARG A 111 2.365 -4.373 -3.482 1.00 0.00 H ATOM 1615 HB2 ARG A 111 3.547 -6.488 -3.569 1.00 0.00 H ATOM 1616 HB3 ARG A 111 1.984 -6.676 -2.741 1.00 0.00 H ATOM 1617 HG2 ARG A 111 1.018 -7.605 -4.805 1.00 0.00 H ATOM 1618 HG3 ARG A 111 2.601 -7.449 -5.603 1.00 0.00 H ATOM 1619 HD2 ARG A 111 3.590 -9.003 -4.035 1.00 0.00 H ATOM 1620 HD3 ARG A 111 2.155 -9.738 -4.789 1.00 0.00 H ATOM 1621 HE ARG A 111 1.735 -8.372 -2.186 1.00 0.00 H ATOM 1622 HH12 ARG A 111 1.655 -12.422 -2.682 1.00 0.00 H ATOM 1623 HH11 ARG A 111 2.284 -11.373 -4.005 1.00 0.00 H ATOM 1624 HH22 ARG A 111 0.899 -11.480 -0.733 1.00 0.00 H ATOM 1625 HH21 ARG A 111 0.932 -9.692 -0.522 1.00 0.00 H ATOM 1626 H ARG A 111 0.147 -5.607 -5.141 1.00 0.00 H ATOM 1627 N GLN A 112 1.807 -4.353 -6.490 1.00 27.10 N ATOM 1628 CA GLN A 112 2.223 -4.097 -7.861 1.00 30.69 C ATOM 1629 C GLN A 112 1.366 -3.028 -8.544 1.00 32.24 C ATOM 1630 O GLN A 112 0.161 -2.954 -8.318 1.00 31.26 O ATOM 1631 CB GLN A 112 2.123 -5.397 -8.665 1.00 32.29 C ATOM 1632 CG GLN A 112 2.017 -5.184 -10.155 1.00 35.11 C ATOM 1633 CD GLN A 112 1.783 -6.471 -10.913 1.00 38.92 C ATOM 1634 OE1 GLN A 112 0.995 -7.320 -10.488 1.00 41.17 O ATOM 1635 NE2 GLN A 112 2.453 -6.617 -12.053 1.00 38.38 N ATOM 1636 HA GLN A 112 3.249 -3.730 -7.828 1.00 0.00 H ATOM 1637 HB2 GLN A 112 3.013 -5.994 -8.465 1.00 0.00 H ATOM 1638 HB3 GLN A 112 1.239 -5.941 -8.331 1.00 0.00 H ATOM 1639 HG2 GLN A 112 1.186 -4.507 -10.353 1.00 0.00 H ATOM 1640 HG3 GLN A 112 2.944 -4.733 -10.510 1.00 0.00 H ATOM 1641 HE22 GLN A 112 3.107 -5.873 -12.371 1.00 0.00 H ATOM 1642 HE21 GLN A 112 2.323 -7.475 -12.626 1.00 0.00 H ATOM 1643 H GLN A 112 0.834 -4.118 -6.208 1.00 0.00 H ATOM 1644 N SER A 113 1.996 -2.203 -9.377 1.00 35.17 N ATOM 1645 CA SER A 113 1.307 -1.162 -10.143 1.00 38.64 C ATOM 1646 C SER A 113 1.318 -1.665 -11.589 1.00 41.23 C ATOM 1647 O SER A 113 2.095 -2.567 -11.915 1.00 42.03 O ATOM 1648 CB SER A 113 2.056 0.171 -10.007 1.00 37.84 C ATOM 1649 OG SER A 113 1.558 0.907 -8.881 1.00 39.51 O ATOM 1650 HA SER A 113 0.291 -0.982 -9.793 1.00 0.00 H ATOM 1651 HB2 SER A 113 1.913 0.759 -10.914 1.00 0.00 H ATOM 1652 HB3 SER A 113 3.119 -0.026 -9.867 1.00 0.00 H ATOM 1653 HG SER A 113 2.049 1.763 -8.805 1.00 0.00 H ATOM 1654 H SER A 113 3.025 -2.302 -9.489 1.00 0.00 H ATOM 1655 N LEU A 114 0.466 -1.117 -12.453 1.00 44.46 N ATOM 1656 CA LEU A 114 0.393 -1.573 -13.854 1.00 47.65 C ATOM 1657 C LEU A 114 1.260 -0.768 -14.816 1.00 50.43 C ATOM 1658 O LEU A 114 0.826 0.342 -15.186 1.00 51.82 O ATOM 1659 CB LEU A 114 -1.071 -1.489 -14.334 1.00 46.16 C ATOM 1660 CG LEU A 114 -1.637 -2.026 -15.668 1.00 45.64 C ATOM 1661 CD1 LEU A 114 -1.144 -3.421 -15.825 1.00 45.19 C ATOM 1662 CD2 LEU A 114 -3.179 -2.025 -15.716 1.00 44.68 C ATOM 1663 HA LEU A 114 0.772 -2.595 -13.863 1.00 0.00 H ATOM 1664 HB2 LEU A 114 -1.652 -1.989 -13.559 1.00 0.00 H ATOM 1665 HB3 LEU A 114 -1.308 -0.425 -14.334 1.00 0.00 H ATOM 1666 HG LEU A 114 -1.302 -1.372 -16.474 1.00 0.00 H ATOM 1667 HD21 LEU A 114 -3.567 -2.655 -14.915 1.00 0.00 H ATOM 1668 HD22 LEU A 114 -3.545 -1.006 -15.588 1.00 0.00 H ATOM 1669 HD23 LEU A 114 -3.512 -2.414 -16.679 1.00 0.00 H ATOM 1670 HD11 LEU A 114 -0.054 -3.420 -15.843 1.00 0.00 H ATOM 1671 HD12 LEU A 114 -1.494 -4.025 -14.988 1.00 0.00 H ATOM 1672 HD13 LEU A 114 -1.524 -3.836 -16.759 1.00 0.00 H ATOM 1673 H LEU A 114 -0.161 -0.351 -12.133 1.00 0.00 H ATOM 1674 N GLN A 115 2.451 -1.260 -15.200 1.00 54.20 N ATOM 1675 CA GLN A 115 3.352 -0.558 -16.166 1.00 56.74 C ATOM 1676 C GLN A 115 4.577 0.014 -15.491 1.00 57.98 C ATOM 1677 O GLN A 115 4.827 1.231 -15.695 1.00 58.50 O ATOM 1678 CB GLN A 115 2.712 0.648 -16.895 1.00 57.39 C ATOM 1679 CG GLN A 115 1.417 0.457 -17.712 1.00 59.43 C ATOM 1680 CD GLN A 115 0.564 1.750 -17.681 1.00 61.49 C ATOM 1681 OE1 GLN A 115 0.830 2.680 -16.885 1.00 63.11 O ATOM 1682 NE2 GLN A 115 -0.461 1.807 -18.529 1.00 62.59 N ATOM 1683 HA GLN A 115 3.587 -1.348 -16.879 1.00 0.00 H ATOM 1684 HB2 GLN A 115 2.496 1.398 -16.134 1.00 0.00 H ATOM 1685 HB3 GLN A 115 3.464 1.036 -17.582 1.00 0.00 H ATOM 1686 HG2 GLN A 115 1.675 0.221 -18.744 1.00 0.00 H ATOM 1687 HG3 GLN A 115 0.841 -0.364 -17.286 1.00 0.00 H ATOM 1688 HE22 GLN A 115 -0.647 1.013 -19.174 1.00 0.00 H ATOM 1689 HE21 GLN A 115 -1.075 2.646 -18.547 1.00 0.00 H ATOM 1690 H GLN A 115 2.760 -2.172 -14.807 1.00 0.00 H TER 1691 GLN A 115 HETATM 1692 O HOH 1 4.825 -6.531 -0.899 1.00 17.86 O HETATM 1693 O HOH 2 -14.701 -4.443 -3.830 1.00 37.63 O HETATM 1694 O HOH 3 3.903 7.505 1.675 1.00 24.12 O HETATM 1695 O HOH 4 -4.474 1.838 2.588 1.00 16.36 O HETATM 1696 O HOH 5 -12.596 -7.350 1.261 1.00 18.72 O HETATM 1697 O HOH 6 -1.403 6.706 14.348 1.00 12.74 O HETATM 1698 O HOH 7 -6.887 10.526 15.223 1.00 24.39 O HETATM 1699 O HOH 8 1.996 -14.748 9.908 1.00 9.51 O HETATM 1700 O HOH 9 -0.741 -6.602 -6.168 1.00 20.59 O HETATM 1701 O HOH 10 -2.740 8.593 0.385 1.00 23.45 O HETATM 1702 O HOH 11 -4.201 5.736 0.476 1.00 22.21 O HETATM 1703 O HOH 12 2.470 -1.796 -2.650 1.00 23.25 O HETATM 1704 O HOH 13 -5.043 6.677 14.872 1.00 12.29 O HETATM 1705 O HOH 14 -16.050 -6.088 9.623 1.00 35.08 O HETATM 1706 O HOH 15 -15.064 -15.472 9.833 1.00 27.83 O HETATM 1707 O HOH 16 1.494 5.399 4.453 1.00 17.05 O HETATM 1708 O HOH 17 -4.966 -16.065 0.721 1.00 19.57 O HETATM 1709 O HOH 18 -1.077 12.663 8.155 1.00 42.87 O HETATM 1710 O HOH 19 0.518 8.034 6.306 1.00 13.81 O HETATM 1711 O HOH 20 -7.112 -12.123 -6.222 1.00 24.45 O HETATM 1712 O HOH 21 -0.107 -0.738 -6.446 1.00 24.98 O HETATM 1713 O HOH 22 11.599 3.881 -0.305 1.00 36.42 O HETATM 1714 O HOH 23 7.162 -10.686 3.040 1.00 23.85 O HETATM 1715 O HOH 24 9.051 -3.054 15.653 1.00 45.95 O HETATM 1716 O HOH 25 -12.833 -9.931 -2.333 1.00 34.22 O HETATM 1717 O HOH 26 -2.284 14.173 12.774 1.00 43.68 O HETATM 1718 O HOH 27 -9.830 7.294 14.575 1.00 30.97 O HETATM 1719 O HOH 28 -16.477 -17.418 7.760 1.00 52.29 O HETATM 1720 O HOH 29 -8.417 -0.656 18.512 1.00 33.39 O HETATM 1721 O HOH 30 10.949 -16.435 13.684 1.00 30.14 O HETATM 1722 O HOH 31 -9.322 -19.795 11.770 1.00 43.51 O HETATM 1723 O HOH 32 -3.282 -13.618 -3.742 1.00 29.97 O HETATM 1724 O HOH 33 -5.725 5.123 5.208 1.00 19.93 O HETATM 1725 O HOH 34 -5.848 -18.409 2.580 1.00 25.18 O HETATM 1726 O HOH 35 6.001 -11.364 -4.914 1.00 37.85 O HETATM 1727 O HOH 36 2.864 -19.861 8.541 1.00 23.52 O HETATM 1728 O HOH 37 -11.119 -13.719 27.988 1.00 39.59 O HETATM 1729 O HOH 38 -16.512 -11.555 6.972 1.00 33.02 O HETATM 1730 O HOH 39 -1.811 -15.339 -1.845 1.00 26.57 O HETATM 1731 O HOH 40 -13.477 -11.697 -8.348 1.00 44.67 O HETATM 1732 O HOH 41 13.626 5.702 -0.641 1.00 38.44 O HETATM 1733 O HOH 42 5.460 -1.792 -1.397 1.00 26.85 O HETATM 1734 O HOH 43 4.948 13.735 2.381 1.00 40.19 O HETATM 1735 O HOH 44 -15.884 -3.383 10.921 1.00 31.95 O HETATM 1736 O HOH 45 -4.275 -17.952 7.453 1.00 10.02 O HETATM 1737 O HOH 46 -4.720 -19.608 5.014 1.00 28.55 O HETATM 1738 O HOH 47 -11.486 -8.243 11.637 1.00 19.89 O HETATM 1739 O HOH 48 3.689 -8.875 12.943 1.00 32.49 O HETATM 1740 O HOH 49 5.969 -10.048 13.387 1.00 27.94 O HETATM 1741 O HOH 50 8.268 -10.657 11.944 1.00 20.57 O HETATM 1742 O HOH 51 8.501 -9.846 9.581 1.00 16.45 O HETATM 1743 O HOH 52 9.103 -13.376 11.631 1.00 19.90 O HETATM 1744 O HOH 53 3.671 -14.780 2.810 1.00 29.57 O HETATM 1745 O HOH 54 -3.969 4.852 -2.037 1.00 35.19 O HETATM 1746 O HOH 55 2.503 -12.407 15.870 1.00 33.27 O HETATM 1747 O HOH 56 -14.762 -9.476 1.104 1.00 51.31 O HETATM 1748 O HOH 57 -7.194 7.955 15.804 1.00 28.00 O HETATM 1749 O HOH 58 -2.714 7.800 -3.888 1.00 33.37 O HETATM 1750 O HOH 59 -3.268 7.496 -6.672 1.00 42.71 O HETATM 1751 O HOH 60 -18.170 -3.864 -0.278 1.00 23.99 O HETATM 1752 O HOH 61 -14.335 4.269 13.424 1.00 31.60 O HETATM 1753 O HOH 62 5.526 -4.292 -2.737 1.00 35.97 O HETATM 1754 O HOH 63 6.086 -8.425 -2.648 1.00 32.36 O HETATM 1755 O HOH 64 6.346 -7.764 -5.327 1.00 38.46 O HETATM 1756 O HOH 65 0.000 -13.291 -2.388 1.00 31.42 O HETATM 1757 O HOH 66 2.049 -14.693 -1.842 1.00 54.57 O HETATM 1758 O HOH 67 3.714 -15.933 -0.131 1.00 36.60 O HETATM 1759 O HOH 68 5.899 -2.690 16.492 1.00 50.82 O HETATM 1760 O HOH 69 -13.083 -16.457 -6.238 1.00 33.68 O HETATM 1761 O HOH 70 -13.824 -4.742 8.596 1.00 31.43 O HETATM 1762 O HOH 71 -1.358 3.633 -14.921 1.00 46.20 O HETATM 1763 O HOH 72 -11.935 -13.062 -1.993 1.00 51.57 O HETATM 1764 O HOH 73 -13.425 -14.431 -3.606 1.00 48.94 O HETATM 1765 O HOH 74 -10.117 -11.125 0.060 1.00 40.15 O HETATM 1766 O HOH 75 -4.182 9.114 -1.526 1.00 48.63 O HETATM 1767 O HOH 76 -6.197 -10.635 21.005 1.00 37.55 O HETATM 1768 O HOH 77 6.672 -15.024 3.277 1.00 47.24 O HETATM 1769 N GLN A 78 3.074 16.278 12.908 1.00 0.24 N HETATM 1770 CA GLN A 78 3.644 15.986 14.253 1.00 0.07 C HETATM 1771 C GLN A 78 3.718 14.481 14.515 1.00 0.23 C HETATM 1772 O GLN A 78 4.749 13.976 14.960 1.00 -0.39 O HETATM 1773 N GLN A 78 2.628 13.769 14.235 1.00 -0.26 N HETATM 1774 CA GLN A 78 2.585 12.326 14.460 1.00 0.13 C HETATM 1775 C GLN A 78 3.354 11.581 13.370 1.00 0.20 C HETATM 1776 O GLN A 78 3.021 11.666 12.185 1.00 -0.39 O HETATM 1777 N GLN A 78 4.383 10.851 13.788 1.00 -0.26 N HETATM 1778 CA GLN A 78 5.234 10.095 12.879 1.00 0.13 C HETATM 1779 C GLN A 78 4.634 8.779 12.377 1.00 0.20 C HETATM 1780 O GLN A 78 3.707 8.225 12.971 1.00 -0.39 O HETATM 1781 N GLN A 78 5.185 8.294 11.267 1.00 -0.26 N HETATM 1782 CA GLN A 78 4.757 7.044 10.651 1.00 0.14 C HETATM 1783 C GLN A 78 5.276 5.931 11.557 1.00 0.21 C HETATM 1784 O GLN A 78 6.475 5.883 11.852 1.00 -0.39 O HETATM 1785 N GLN A 78 4.386 5.059 12.019 1.00 -0.26 N HETATM 1786 CA GLN A 78 4.804 3.942 12.870 1.00 0.14 C HETATM 1787 C GLN A 78 3.894 2.744 12.651 1.00 0.21 C HETATM 1788 O GLN A 78 2.794 2.889 12.109 1.00 -0.39 O HETATM 1789 N GLN A 78 4.347 1.564 13.075 1.00 -0.26 N HETATM 1790 CA GLN A 78 3.551 0.361 12.896 1.00 0.14 C HETATM 1791 C GLN A 78 3.142 -0.319 14.199 1.00 0.21 C HETATM 1792 O GLN A 78 3.715 -0.067 15.260 1.00 -0.39 O HETATM 1793 N GLN A 78 2.136 -1.181 14.095 1.00 -0.26 N HETATM 1794 CA GLN A 78 1.600 -1.914 15.235 1.00 0.16 C HETATM 1795 C GLN A 78 1.412 -3.382 14.856 1.00 0.21 C HETATM 1796 O GLN A 78 1.038 -3.693 13.719 1.00 -0.39 O HETATM 1797 N GLN A 78 1.668 -4.277 15.810 1.00 -0.26 N HETATM 1798 CA GLN A 78 1.553 -5.714 15.576 1.00 0.14 C HETATM 1799 C GLN A 78 0.135 -6.240 15.792 1.00 0.20 C HETATM 1800 O GLN A 78 -0.549 -5.846 16.738 1.00 -0.39 O HETATM 1801 N GLN A 78 -0.292 -7.137 14.906 1.00 -0.27 N HETATM 1802 CA GLN A 78 -1.631 -7.723 14.951 1.00 0.09 C HETATM 1803 C GLN A 78 -1.575 -9.245 14.870 1.00 0.06 C HETATM 1804 O GLN A 78 -2.565 -9.894 15.267 1.00 -0.57 O HETATM 1805 OXT GLN A 78 -0.551 -9.769 14.384 1.00 -0.57 O HETATM 1806 CB GLN A 78 -2.480 -7.183 13.795 1.00 -0.02 C HETATM 1807 CG GLN A 78 -3.198 -5.833 13.932 1.00 -0.04 C HETATM 1808 CD1 GLN A 78 -2.252 -4.755 14.425 1.00 -0.06 C HETATM 1809 H66 GLN A 78 -2.795 -3.803 14.512 1.00 0.02 H HETATM 1810 H67 GLN A 78 -1.423 -4.640 13.711 1.00 0.02 H HETATM 1811 H68 GLN A 78 -1.852 -5.040 15.409 1.00 0.02 H HETATM 1812 CD2 GLN A 78 -3.776 -5.451 12.581 1.00 -0.06 C HETATM 1813 H69 GLN A 78 -4.459 -6.242 12.238 1.00 0.02 H HETATM 1814 H70 GLN A 78 -2.960 -5.330 11.854 1.00 0.02 H HETATM 1815 H71 GLN A 78 -4.328 -4.504 12.673 1.00 0.02 H HETATM 1816 H65 GLN A 78 -4.018 -5.938 14.657 1.00 0.03 H HETATM 1817 H63 GLN A 78 -3.256 -7.936 13.593 1.00 0.03 H HETATM 1818 H64 GLN A 78 -1.814 -7.101 12.924 1.00 0.03 H HETATM 1819 H62 GLN A 78 -2.104 -7.439 15.903 1.00 0.07 H HETATM 1820 H61 GLN A 78 0.331 -7.423 14.177 1.00 0.19 H HETATM 1821 CB GLN A 78 2.527 -6.479 16.479 1.00 0.04 C HETATM 1822 CG GLN A 78 3.940 -5.922 16.419 1.00 0.04 C HETATM 1823 OD1 GLN A 78 4.418 -5.614 15.305 1.00 -0.57 O HETATM 1824 OD2 GLN A 78 4.578 -5.801 17.490 1.00 -0.57 O HETATM 1825 H59 GLN A 78 2.550 -7.532 16.161 1.00 0.05 H HETATM 1826 H60 GLN A 78 2.168 -6.417 17.517 1.00 0.05 H HETATM 1827 H58 GLN A 78 1.828 -5.906 14.528 1.00 0.08 H HETATM 1828 H57 GLN A 78 1.948 -3.954 16.714 1.00 0.19 H HETATM 1829 CB GLN A 78 0.238 -1.309 15.683 1.00 0.09 C HETATM 1830 OG1 GLN A 78 -0.663 -1.278 14.573 1.00 -0.39 O HETATM 1831 H53 GLN A 78 -0.292 -0.743 13.881 1.00 0.21 H HETATM 1832 CG2 GLN A 78 0.421 0.116 16.175 1.00 -0.03 C HETATM 1833 H54 GLN A 78 -0.552 0.524 16.486 1.00 0.03 H HETATM 1834 H55 GLN A 78 0.835 0.734 15.364 1.00 0.03 H HETATM 1835 H56 GLN A 78 1.112 0.123 17.031 1.00 0.03 H HETATM 1836 H52 GLN A 78 -0.185 -1.926 16.489 1.00 0.06 H HETATM 1837 H51 GLN A 78 2.312 -1.846 16.070 1.00 0.08 H HETATM 1838 H50 GLN A 78 1.729 -1.333 13.195 1.00 0.19 H HETATM 1839 CB GLN A 78 4.285 -0.632 11.978 1.00 0.04 C HETATM 1840 CG GLN A 78 5.582 -1.156 12.578 1.00 0.04 C HETATM 1841 OD1 GLN A 78 6.020 -0.646 13.633 1.00 -0.57 O HETATM 1842 OD2 GLN A 78 6.169 -2.085 11.980 1.00 -0.57 O HETATM 1843 H48 GLN A 78 4.518 -0.125 11.030 1.00 0.05 H HETATM 1844 H49 GLN A 78 3.620 -1.486 11.784 1.00 0.05 H HETATM 1845 H47 GLN A 78 2.623 0.663 12.388 1.00 0.08 H HETATM 1846 H46 GLN A 78 5.241 1.506 13.519 1.00 0.19 H HETATM 1847 CB GLN A 78 4.803 4.329 14.361 1.00 0.02 C HETATM 1848 CG GLN A 78 3.428 4.569 14.942 1.00 -0.04 C HETATM 1849 CD1 GLN A 78 2.864 5.842 14.935 1.00 -0.06 C HETATM 1850 CE1 GLN A 78 1.602 6.075 15.507 1.00 -0.07 C HETATM 1851 CZ GLN A 78 0.895 5.016 16.091 1.00 -0.07 C HETATM 1852 CE2 GLN A 78 1.448 3.740 16.099 1.00 -0.07 C HETATM 1853 CD2 GLN A 78 2.712 3.523 15.525 1.00 -0.06 C HETATM 1854 H42 GLN A 78 3.138 2.526 15.535 1.00 0.06 H HETATM 1855 H44 GLN A 78 0.905 2.915 16.547 1.00 0.06 H HETATM 1856 H45 GLN A 78 -0.079 5.190 16.535 1.00 0.06 H HETATM 1857 H43 GLN A 78 1.176 7.072 15.496 1.00 0.06 H HETATM 1858 H41 GLN A 78 3.406 6.664 14.482 1.00 0.06 H HETATM 1859 H39 GLN A 78 5.392 5.251 14.478 1.00 0.05 H HETATM 1860 H40 GLN A 78 5.279 3.516 14.928 1.00 0.05 H HETATM 1861 H38 GLN A 78 5.829 3.660 12.587 1.00 0.08 H HETATM 1862 H37 GLN A 78 3.420 5.166 11.783 1.00 0.19 H HETATM 1863 CB GLN A 78 5.397 6.902 9.261 1.00 0.00 C HETATM 1864 CG GLN A 78 4.642 6.032 8.296 1.00 -0.04 C HETATM 1865 CD1 GLN A 78 3.622 6.414 7.477 1.00 0.02 C HETATM 1866 NE1 GLN A 78 3.182 5.346 6.732 1.00 -0.29 N HETATM 1867 CE2 GLN A 78 3.918 4.241 7.065 1.00 0.06 C HETATM 1868 CD2 GLN A 78 4.851 4.636 8.050 1.00 -0.02 C HETATM 1869 CE3 GLN A 78 5.734 3.679 8.567 1.00 -0.07 C HETATM 1870 CZ3 GLN A 78 5.657 2.368 8.085 1.00 -0.08 C HETATM 1871 CH2 GLN A 78 4.716 2.010 7.103 1.00 -0.08 C HETATM 1872 CZ2 GLN A 78 3.842 2.928 6.583 1.00 -0.04 C HETATM 1873 H34 GLN A 78 3.118 2.648 5.826 1.00 0.05 H HETATM 1874 H36 GLN A 78 4.681 0.986 6.750 1.00 0.05 H HETATM 1875 H35 GLN A 78 6.333 1.616 8.475 1.00 0.05 H HETATM 1876 H33 GLN A 78 6.461 3.949 9.324 1.00 0.05 H HETATM 1877 H32 GLN A 78 2.422 5.373 6.037 1.00 0.22 H HETATM 1878 H31 GLN A 78 3.214 7.422 7.421 1.00 0.08 H HETATM 1879 H29 GLN A 78 6.402 6.474 9.391 1.00 0.04 H HETATM 1880 H30 GLN A 78 5.481 7.906 8.820 1.00 0.04 H HETATM 1881 H28 GLN A 78 3.661 7.005 10.569 1.00 0.08 H HETATM 1882 H27 GLN A 78 5.926 8.810 10.836 1.00 0.19 H HETATM 1883 CB GLN A 78 6.579 9.823 13.551 1.00 -0.02 C HETATM 1884 H24 GLN A 78 7.223 9.252 12.866 1.00 0.03 H HETATM 1885 H25 GLN A 78 6.418 9.243 14.472 1.00 0.03 H HETATM 1886 H26 GLN A 78 7.064 10.778 13.800 1.00 0.03 H HETATM 1887 H23 GLN A 78 5.411 10.728 11.997 1.00 0.08 H HETATM 1888 H22 GLN A 78 4.581 10.819 14.768 1.00 0.19 H HETATM 1889 CB GLN A 78 1.130 11.840 14.513 1.00 -0.01 C HETATM 1890 CG GLN A 78 0.878 10.417 15.025 1.00 -0.04 C HETATM 1891 CD1 GLN A 78 1.451 10.261 16.427 1.00 -0.06 C HETATM 1892 H16 GLN A 78 1.266 9.238 16.787 1.00 0.02 H HETATM 1893 H17 GLN A 78 0.967 10.981 17.103 1.00 0.02 H HETATM 1894 H18 GLN A 78 2.534 10.451 16.404 1.00 0.02 H HETATM 1895 CD2 GLN A 78 -0.621 10.132 15.029 1.00 -0.06 C HETATM 1896 H19 GLN A 78 -1.019 10.249 14.010 1.00 0.02 H HETATM 1897 H20 GLN A 78 -1.127 10.838 15.704 1.00 0.02 H HETATM 1898 H21 GLN A 78 -0.798 9.103 15.376 1.00 0.02 H HETATM 1899 H15 GLN A 78 1.376 9.701 14.355 1.00 0.03 H HETATM 1900 H13 GLN A 78 0.725 11.899 13.492 1.00 0.03 H HETATM 1901 H14 GLN A 78 0.576 12.529 15.168 1.00 0.03 H HETATM 1902 H12 GLN A 78 3.060 12.111 15.428 1.00 0.08 H HETATM 1903 H11 GLN A 78 1.823 14.231 13.863 1.00 0.19 H HETATM 1904 CB GLN A 78 2.797 16.663 15.338 1.00 0.02 C HETATM 1905 CG GLN A 78 3.152 16.276 16.774 1.00 0.04 C HETATM 1906 CD GLN A 78 4.533 16.745 17.205 1.00 0.17 C HETATM 1907 OE1 GLN A 78 5.551 16.311 16.662 1.00 -0.40 O HETATM 1908 NE2 GLN A 78 4.571 17.636 18.189 1.00 -0.30 N HETATM 1909 H9 GLN A 78 5.450 17.982 18.516 1.00 0.18 H HETATM 1910 H10 GLN A 78 3.720 17.961 18.603 1.00 0.18 H HETATM 1911 H7 GLN A 78 3.115 15.180 16.859 1.00 0.05 H HETATM 1912 H8 GLN A 78 2.407 16.722 17.449 1.00 0.05 H HETATM 1913 H5 GLN A 78 1.744 16.397 15.164 1.00 0.04 H HETATM 1914 H6 GLN A 78 2.921 17.751 15.238 1.00 0.04 H HETATM 1915 H4 GLN A 78 4.664 16.396 14.294 1.00 0.11 H HETATM 1916 H1 GLN A 78 3.039 17.276 12.767 1.00 0.20 H HETATM 1917 H2 GLN A 78 2.143 15.897 12.848 1.00 0.20 H HETATM 1918 H3 GLN A 78 3.655 15.859 12.199 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1769 1770 1916 1917 1918 CONECT 1770 1769 1771 1904 1915 CONECT 1771 1770 1772 1773 CONECT 1772 1771 CONECT 1773 1771 1774 1903 CONECT 1774 1773 1775 1889 1902 CONECT 1775 1774 1776 1777 CONECT 1776 1775 CONECT 1777 1775 1778 1888 CONECT 1778 1777 1779 1883 1887 CONECT 1779 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 1782 1882 CONECT 1782 1781 1783 1863 1881 CONECT 1783 1782 1784 1785 CONECT 1784 1783 CONECT 1785 1783 1786 1862 CONECT 1786 1785 1787 1847 1861 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 1790 1846 CONECT 1790 1789 1791 1839 1845 CONECT 1791 1790 1792 1793 CONECT 1792 1791 CONECT 1793 1791 1794 1838 CONECT 1794 1793 1795 1829 1837 CONECT 1795 1794 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 1828 CONECT 1798 1797 1799 1821 1827 CONECT 1799 1798 1800 1801 CONECT 1800 1799 CONECT 1801 1799 1802 1820 CONECT 1802 1801 1803 1806 1819 CONECT 1803 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 CONECT 1806 1802 1807 1817 1818 CONECT 1807 1806 1808 1812 1816 CONECT 1808 1807 1809 1810 1811 CONECT 1809 1808 CONECT 1810 1808 CONECT 1811 1808 CONECT 1812 1807 1813 1814 1815 CONECT 1813 1812 CONECT 1814 1812 CONECT 1815 1812 CONECT 1816 1807 CONECT 1817 1806 CONECT 1818 1806 CONECT 1819 1802 CONECT 1820 1801 CONECT 1821 1798 1822 1825 1826 CONECT 1822 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1821 CONECT 1826 1821 CONECT 1827 1798 CONECT 1828 1797 CONECT 1829 1794 1830 1832 1836 CONECT 1830 1829 1831 CONECT 1831 1830 CONECT 1832 1829 1833 1834 1835 CONECT 1833 1832 CONECT 1834 1832 CONECT 1835 1832 CONECT 1836 1829 CONECT 1837 1794 CONECT 1838 1793 CONECT 1839 1790 1840 1843 1844 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1839 CONECT 1844 1839 CONECT 1845 1790 CONECT 1846 1789 CONECT 1847 1786 1848 1859 1860 CONECT 1848 1847 1849 1853 CONECT 1849 1848 1850 1858 CONECT 1850 1849 1851 1857 CONECT 1851 1850 1852 1856 CONECT 1852 1851 1853 1855 CONECT 1853 1848 1852 1854 CONECT 1854 1853 CONECT 1855 1852 CONECT 1856 1851 CONECT 1857 1850 CONECT 1858 1849 CONECT 1859 1847 CONECT 1860 1847 CONECT 1861 1786 CONECT 1862 1785 CONECT 1863 1782 1864 1879 1880 CONECT 1864 1863 1865 1868 CONECT 1865 1864 1866 1878 CONECT 1866 1865 1867 1877 CONECT 1867 1866 1868 1872 CONECT 1868 1864 1867 1869 CONECT 1869 1868 1870 1876 CONECT 1870 1869 1871 1875 CONECT 1871 1870 1872 1874 CONECT 1872 1867 1871 1873 CONECT 1873 1872 CONECT 1874 1871 CONECT 1875 1870 CONECT 1876 1869 CONECT 1877 1866 CONECT 1878 1865 CONECT 1879 1863 CONECT 1880 1863 CONECT 1881 1782 CONECT 1882 1781 CONECT 1883 1778 1884 1885 1886 CONECT 1884 1883 CONECT 1885 1883 CONECT 1886 1883 CONECT 1887 1778 CONECT 1888 1777 CONECT 1889 1774 1890 1900 1901 CONECT 1890 1889 1891 1895 1899 CONECT 1891 1890 1892 1893 1894 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1891 CONECT 1895 1890 1896 1897 1898 CONECT 1896 1895 CONECT 1897 1895 CONECT 1898 1895 CONECT 1899 1890 CONECT 1900 1889 CONECT 1901 1889 CONECT 1902 1774 CONECT 1903 1773 CONECT 1904 1770 1905 1913 1914 CONECT 1905 1904 1906 1911 1912 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 1909 1910 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1905 CONECT 1912 1905 CONECT 1913 1904 CONECT 1914 1904 CONECT 1915 1770 CONECT 1916 1769 CONECT 1917 1769 CONECT 1918 1769 MASTER 0 0 0 0 0 0 0 0 1917 1 154 9 END
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Protein Sequence Similarity
4e3b
RCSB PDB
PDBbind
102aa, >4E3B_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
3diw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tax-interacting protein-1 (TIP-1)
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.19uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 384: pp. 255-263
Ligand Properties
Formula
C
5
2
H
7
4
N
1
1
O
1
6
Molecular Weight
1109.210
Exact Mass
1108.530
No. of atoms
153
No. of bonds
155
Polar Surface Area
451.45
LOGP Value
1.17 (
Computed with XLOGP3
)
1.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 3
Canonical SMILES
CC(C[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)O)CC(C)C)CC(=O)O)[C@H](O)C)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C
InChI String
InChI=1S/C52H73N11O16/c1-25(2)18-34(58-45(71)32(53)16-17-40(54)65)46(72)56-27(5)44(70)57-36(21-30-24-55-33-15-11-10-14-31(30)33)48(74)59-35(20-29-12-8-7-9-13-29)47(73)60-38(23-42(68)69)50(76)63-43(28(6)64)51(77)61-37(22-41(66)67)49(75)62-39(52(78)79)19-26(3)4/h7-15,24-28,32,34-39,43,55,64H,16-23,53H2,1-6H3,(H2,54,65)(H,56,72)(H,57,70)(H,58,71)(H,59,74)(H,60,73)(H,61,77)(H,62,75)(H,63,76)(H,66,67)(H,68,69)(H,78,79)/p+1/t27-,28+,32-,34-,35-,36-,37-,38-,39-,43-/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):
Q9DBG9
P35222
Entrez Gene ID
NCBI Entrez Gene ID:
76281
1499
ASD
Information of known allosteric effects of PDB entries
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