Browse entries in the PDBbind-CN Database
HEADER 3RDQ_COMPLEX COMPND 3RDQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 1 HIS SEQRES 1 A 123 THR ALA GLU ALA GLY ILE THR GLY THR TRP TYR ASN GLN SEQRES 2 A 123 LEU GLY SER THR LEU ILE VAL THR ALA GLY ALA ASP GLY SEQRES 3 A 123 ALA LEU THR GLY THR TYR GLU SER ALA VAL GLY ASN ALA SEQRES 4 A 123 GLU GLY SER TYR VAL LEU THR GLY ARG TYR ASP SER ALA SEQRES 5 A 123 PRO ALA THR ASP GLY SER GLY THR ALA LEU GLY TRP THR SEQRES 6 A 123 VAL ALA TRP LYS ASN ASN TYR ARG ASN ALA HIS SER ALA SEQRES 7 A 123 SER THR TRP SER GLY GLN TYR VAL GLY GLY ALA GLU ALA SEQRES 8 A 123 ARG ILE ASN THR GLN VAL LEU THR THR SER GLY THR THR SEQRES 9 A 123 GLU ALA ASN ALA TRP LYS SER THR LEU VAL GLY HIS ASP SEQRES 10 A 123 THR PHE THR LYS VAL LYS HET NI A 1 1 HET DTB A 265 32 ATOM 1 N HIS A -6 30.876 29.584 14.993 1.00 22.13 N ATOM 2 CA HIS A -6 29.573 30.275 15.145 1.00 22.74 C ATOM 3 C HIS A -6 28.408 29.309 15.167 1.00 25.13 C ATOM 4 O HIS A -6 27.315 29.669 15.591 1.00 26.99 O ATOM 5 CB HIS A -6 29.388 31.278 14.027 1.00 20.31 C ATOM 6 CG HIS A -6 30.167 32.532 14.224 1.00 18.07 C ATOM 7 ND1 HIS A -6 31.264 32.853 13.454 1.00 19.19 N ATOM 8 CD2 HIS A -6 30.013 33.541 15.111 1.00 20.15 C ATOM 9 CE1 HIS A -6 31.746 34.018 13.849 1.00 18.76 C ATOM 10 NE2 HIS A -6 31.008 34.454 14.857 1.00 19.51 N ATOM 11 HA HIS A -6 29.588 30.788 16.106 1.00 0.00 H ATOM 12 HB2 HIS A -6 29.706 30.817 13.092 1.00 0.00 H ATOM 13 HB3 HIS A -6 28.330 31.534 13.963 1.00 0.00 H ATOM 14 HD2 HIS A -6 29.245 33.616 15.881 1.00 0.00 H ATOM 15 HE1 HIS A -6 32.605 34.532 13.418 1.00 0.00 H ATOM 16 HN3 HIS A -6 30.882 29.051 14.100 1.00 0.00 H ATOM 17 HN2 HIS A -6 31.015 28.930 15.789 1.00 0.00 H ATOM 18 HN1 HIS A -6 31.641 30.288 14.984 1.00 0.00 H TER 19 HIS A -6 ATOM 20 N THR A 12 1.991 25.257 14.147 1.00 34.66 N ATOM 21 CA THR A 12 3.084 24.301 14.011 1.00 33.83 C ATOM 22 C THR A 12 3.863 24.552 12.728 1.00 31.92 C ATOM 23 O THR A 12 3.356 25.175 11.774 1.00 30.84 O ATOM 24 CB THR A 12 2.582 22.834 14.009 1.00 34.43 C ATOM 25 OG1 THR A 12 1.760 22.588 12.857 1.00 36.89 O ATOM 26 CG2 THR A 12 1.788 22.533 15.276 1.00 39.04 C ATOM 27 HA THR A 12 3.731 24.446 14.876 1.00 0.00 H ATOM 28 HB THR A 12 3.453 22.180 13.975 1.00 0.00 H ATOM 29 HG1 THR A 12 1.448 21.649 12.870 1.00 0.00 H ATOM 30 HG23 THR A 12 2.414 22.720 16.149 1.00 0.00 H ATOM 31 HG21 THR A 12 0.908 23.176 15.313 1.00 0.00 H ATOM 32 HG22 THR A 12 1.476 21.489 15.268 1.00 0.00 H ATOM 33 HN3 THR A 12 1.345 25.161 13.337 1.00 0.00 H ATOM 34 HN2 THR A 12 2.377 26.222 14.171 1.00 0.00 H ATOM 35 HN1 THR A 12 1.474 25.067 15.029 1.00 0.00 H ATOM 36 N ALA A 13 5.106 24.084 12.705 1.00 29.81 N ATOM 37 CA ALA A 13 5.859 24.134 11.475 1.00 26.91 C ATOM 38 C ALA A 13 5.205 23.265 10.410 1.00 24.90 C ATOM 39 O ALA A 13 5.208 23.619 9.231 1.00 23.83 O ATOM 40 CB ALA A 13 7.320 23.720 11.697 1.00 28.12 C ATOM 41 HA ALA A 13 5.858 25.166 11.124 1.00 0.00 H ATOM 42 HB1 ALA A 13 7.783 24.397 12.415 1.00 0.00 H ATOM 43 HB2 ALA A 13 7.353 22.701 12.083 1.00 0.00 H ATOM 44 HB3 ALA A 13 7.858 23.769 10.750 1.00 0.00 H ATOM 45 H ALA A 13 5.533 23.685 13.566 1.00 0.00 H ATOM 46 N GLU A 14 4.627 22.131 10.808 1.00 24.74 N ATOM 47 CA GLU A 14 4.017 21.259 9.810 1.00 24.59 C ATOM 48 C GLU A 14 2.918 22.031 9.073 1.00 23.31 C ATOM 49 O GLU A 14 2.857 22.043 7.823 1.00 23.57 O ATOM 50 CB GLU A 14 3.413 19.998 10.458 1.00 26.10 C ATOM 51 CG GLU A 14 2.712 19.097 9.444 1.00 30.76 C ATOM 52 CD GLU A 14 2.081 17.846 10.044 1.00 28.68 C ATOM 53 OE1 GLU A 14 1.531 17.044 9.255 1.00 32.34 O ATOM 54 OE2 GLU A 14 2.088 17.673 11.283 1.00 32.44 O ATOM 55 HA GLU A 14 4.791 20.942 9.112 1.00 0.00 H ATOM 56 HB2 GLU A 14 4.214 19.432 10.934 1.00 0.00 H ATOM 57 HB3 GLU A 14 2.689 20.305 11.212 1.00 0.00 H ATOM 58 HG2 GLU A 14 1.926 19.676 8.959 1.00 0.00 H ATOM 59 HG3 GLU A 14 3.445 18.786 8.700 1.00 0.00 H ATOM 60 H GLU A 14 4.611 21.872 11.815 1.00 0.00 H ATOM 61 N ALA A 15 2.079 22.707 9.847 1.00 23.35 N ATOM 62 CA ALA A 15 0.962 23.458 9.290 1.00 23.05 C ATOM 63 C ALA A 15 1.444 24.684 8.518 1.00 23.43 C ATOM 64 O ALA A 15 0.869 25.034 7.456 1.00 24.53 O ATOM 65 CB ALA A 15 -0.002 23.878 10.414 1.00 24.05 C ATOM 66 HA ALA A 15 0.435 22.811 8.589 1.00 0.00 H ATOM 67 HB1 ALA A 15 -0.382 22.988 10.916 1.00 0.00 H ATOM 68 HB2 ALA A 15 0.529 24.503 11.132 1.00 0.00 H ATOM 69 HB3 ALA A 15 -0.833 24.439 9.987 1.00 0.00 H ATOM 70 H ALA A 15 2.222 22.701 10.877 1.00 0.00 H ATOM 71 N GLY A 16 2.487 25.337 9.038 1.00 22.32 N ATOM 72 CA GLY A 16 2.980 26.585 8.446 1.00 22.35 C ATOM 73 C GLY A 16 3.759 26.415 7.147 1.00 21.70 C ATOM 74 O GLY A 16 3.728 27.271 6.261 1.00 21.79 O ATOM 75 HA3 GLY A 16 3.633 27.070 9.172 1.00 0.00 H ATOM 76 HA2 GLY A 16 2.122 27.227 8.245 1.00 0.00 H ATOM 77 H GLY A 16 2.960 24.952 9.881 1.00 0.00 H ATOM 78 N ILE A 17 4.514 25.327 7.036 1.00 19.91 N ATOM 79 CA ILE A 17 5.317 25.111 5.851 1.00 19.15 C ATOM 80 C ILE A 17 4.467 24.595 4.682 1.00 18.75 C ATOM 81 O ILE A 17 4.741 24.889 3.503 1.00 19.21 O ATOM 82 CB ILE A 17 6.444 24.092 6.161 1.00 19.08 C ATOM 83 CG1 ILE A 17 7.458 24.727 7.124 1.00 21.02 C ATOM 84 CG2 ILE A 17 7.101 23.587 4.862 1.00 20.96 C ATOM 85 CD1 ILE A 17 8.426 23.698 7.695 1.00 20.44 C ATOM 86 HA ILE A 17 5.750 26.068 5.560 1.00 0.00 H ATOM 87 HB ILE A 17 6.020 23.216 6.652 1.00 0.00 H ATOM 88 HG12 ILE A 17 8.027 25.485 6.586 1.00 0.00 H ATOM 89 HG13 ILE A 17 6.917 25.196 7.946 1.00 0.00 H ATOM 90 HD11 ILE A 17 7.867 22.939 8.241 1.00 0.00 H ATOM 91 HD12 ILE A 17 8.978 23.229 6.880 1.00 0.00 H ATOM 92 HD13 ILE A 17 9.124 24.193 8.370 1.00 0.00 H ATOM 93 HG21 ILE A 17 6.349 23.100 4.241 1.00 0.00 H ATOM 94 HG22 ILE A 17 7.530 24.431 4.321 1.00 0.00 H ATOM 95 HG23 ILE A 17 7.888 22.874 5.108 1.00 0.00 H ATOM 96 H ILE A 17 4.528 24.627 7.805 1.00 0.00 H ATOM 97 N THR A 18 3.463 23.787 4.988 1.00 19.26 N ATOM 98 CA THR A 18 2.662 23.187 3.924 1.00 19.93 C ATOM 99 C THR A 18 1.997 24.240 3.038 1.00 20.82 C ATOM 100 O THR A 18 1.360 25.183 3.537 1.00 22.50 O ATOM 101 CB THR A 18 1.593 22.286 4.544 1.00 20.44 C ATOM 102 OG1 THR A 18 2.242 21.151 5.135 1.00 21.56 O ATOM 103 CG2 THR A 18 0.625 21.785 3.476 1.00 21.76 C ATOM 104 HA THR A 18 3.331 22.604 3.291 1.00 0.00 H ATOM 105 HB THR A 18 1.038 22.856 5.289 1.00 0.00 H ATOM 106 HG1 THR A 18 1.561 20.558 5.541 1.00 0.00 H ATOM 107 HG23 THR A 18 0.122 22.635 3.016 1.00 0.00 H ATOM 108 HG21 THR A 18 1.178 21.233 2.716 1.00 0.00 H ATOM 109 HG22 THR A 18 -0.114 21.130 3.936 1.00 0.00 H ATOM 110 H THR A 18 3.245 23.580 5.984 1.00 0.00 H ATOM 111 N GLY A 19 2.103 24.072 1.722 1.00 20.69 N ATOM 112 CA GLY A 19 1.409 24.959 0.807 1.00 21.52 C ATOM 113 C GLY A 19 2.321 25.438 -0.302 1.00 20.97 C ATOM 114 O GLY A 19 3.371 24.836 -0.569 1.00 20.39 O ATOM 115 HA3 GLY A 19 1.041 25.823 1.361 1.00 0.00 H ATOM 116 HA2 GLY A 19 0.566 24.426 0.367 1.00 0.00 H ATOM 117 H GLY A 19 2.688 23.299 1.346 1.00 0.00 H ATOM 118 N THR A 20 1.945 26.559 -0.897 1.00 21.41 N ATOM 119 CA THR A 20 2.627 27.070 -2.075 1.00 20.75 C ATOM 120 C THR A 20 3.444 28.272 -1.662 1.00 21.45 C ATOM 121 O THR A 20 2.965 29.141 -0.913 1.00 22.31 O ATOM 122 CB THR A 20 1.596 27.526 -3.124 1.00 22.06 C ATOM 123 OG1 THR A 20 0.767 26.405 -3.447 1.00 24.58 O ATOM 124 CG2 THR A 20 2.281 28.023 -4.396 1.00 22.16 C ATOM 125 HA THR A 20 3.258 26.289 -2.500 1.00 0.00 H ATOM 126 HB THR A 20 1.009 28.348 -2.713 1.00 0.00 H ATOM 127 HG1 THR A 20 0.095 26.676 -4.122 1.00 0.00 H ATOM 128 HG23 THR A 20 2.914 28.877 -4.156 1.00 0.00 H ATOM 129 HG21 THR A 20 2.891 27.223 -4.815 1.00 0.00 H ATOM 130 HG22 THR A 20 1.524 28.322 -5.121 1.00 0.00 H ATOM 131 H THR A 20 1.138 27.090 -0.511 1.00 0.00 H ATOM 132 N TRP A 21 4.681 28.330 -2.153 1.00 18.41 N ATOM 133 CA TRP A 21 5.552 29.475 -1.866 1.00 18.66 C ATOM 134 C TRP A 21 6.164 29.975 -3.146 1.00 19.74 C ATOM 135 O TRP A 21 6.276 29.226 -4.115 1.00 20.13 O ATOM 136 CB TRP A 21 6.694 29.083 -0.932 1.00 19.32 C ATOM 137 CG TRP A 21 6.287 28.583 0.424 1.00 18.37 C ATOM 138 CD1 TRP A 21 5.801 27.332 0.759 1.00 18.91 C ATOM 139 CD2 TRP A 21 6.377 29.320 1.650 1.00 18.65 C ATOM 140 NE1 TRP A 21 5.584 27.264 2.125 1.00 17.27 N ATOM 141 CE2 TRP A 21 5.932 28.473 2.686 1.00 19.14 C ATOM 142 CE3 TRP A 21 6.791 30.623 1.960 1.00 18.85 C ATOM 143 CZ2 TRP A 21 5.908 28.879 4.023 1.00 18.95 C ATOM 144 CZ3 TRP A 21 6.772 31.030 3.281 1.00 19.19 C ATOM 145 CH2 TRP A 21 6.311 30.168 4.299 1.00 18.78 C ATOM 146 HA TRP A 21 4.941 30.243 -1.392 1.00 0.00 H ATOM 147 HB2 TRP A 21 7.270 28.297 -1.420 1.00 0.00 H ATOM 148 HB3 TRP A 21 7.326 29.960 -0.790 1.00 0.00 H ATOM 149 HE1 TRP A 21 5.219 26.438 2.641 1.00 0.00 H ATOM 150 HD1 TRP A 21 5.617 26.522 0.054 1.00 0.00 H ATOM 151 HZ2 TRP A 21 5.584 28.204 4.815 1.00 0.00 H ATOM 152 HH2 TRP A 21 6.273 30.530 5.327 1.00 0.00 H ATOM 153 HZ3 TRP A 21 7.118 32.031 3.540 1.00 0.00 H ATOM 154 HE3 TRP A 21 7.122 31.302 1.174 1.00 0.00 H ATOM 155 H TRP A 21 5.034 27.553 -2.748 1.00 0.00 H ATOM 156 N TYR A 22 6.581 31.244 -3.137 1.00 18.20 N ATOM 157 CA TYR A 22 7.097 31.896 -4.333 1.00 18.48 C ATOM 158 C TYR A 22 8.411 32.600 -3.992 1.00 18.51 C ATOM 159 O TYR A 22 8.499 33.238 -2.927 1.00 19.22 O ATOM 160 CB TYR A 22 6.104 32.970 -4.764 1.00 19.41 C ATOM 161 CG TYR A 22 4.709 32.440 -4.995 1.00 19.12 C ATOM 162 CD1 TYR A 22 3.747 32.480 -3.980 1.00 20.90 C ATOM 163 CD2 TYR A 22 4.380 31.828 -6.192 1.00 21.61 C ATOM 164 CE1 TYR A 22 2.476 31.985 -4.182 1.00 20.91 C ATOM 165 CE2 TYR A 22 3.095 31.327 -6.412 1.00 20.94 C ATOM 166 CZ TYR A 22 2.146 31.426 -5.406 1.00 22.52 C ATOM 167 OH TYR A 22 0.866 30.895 -5.569 1.00 22.76 O ATOM 168 HA TYR A 22 7.248 31.156 -5.119 1.00 0.00 H ATOM 169 HB3 TYR A 22 6.461 33.419 -5.691 1.00 0.00 H ATOM 170 HB2 TYR A 22 6.060 33.732 -3.986 1.00 0.00 H ATOM 171 HD2 TYR A 22 5.134 31.736 -6.974 1.00 0.00 H ATOM 172 HE2 TYR A 22 2.841 30.863 -7.365 1.00 0.00 H ATOM 173 HE1 TYR A 22 1.735 32.033 -3.384 1.00 0.00 H ATOM 174 HD1 TYR A 22 4.007 32.910 -3.013 1.00 0.00 H ATOM 175 HH TYR A 22 0.427 31.328 -6.343 1.00 0.00 H ATOM 176 H TYR A 22 6.536 31.783 -2.249 1.00 0.00 H ATOM 177 N ASN A 23 9.444 32.451 -4.833 1.00 17.07 N ATOM 178 CA ASN A 23 10.683 33.152 -4.542 1.00 16.81 C ATOM 179 C ASN A 23 10.854 34.420 -5.357 1.00 18.66 C ATOM 180 O ASN A 23 9.988 34.777 -6.155 1.00 19.31 O ATOM 181 CB ASN A 23 11.909 32.232 -4.594 1.00 17.13 C ATOM 182 CG ASN A 23 12.370 31.909 -6.004 1.00 15.95 C ATOM 183 OD1 ASN A 23 11.877 32.453 -7.001 1.00 17.70 O ATOM 184 ND2 ASN A 23 13.358 30.989 -6.091 1.00 16.54 N ATOM 185 HA ASN A 23 10.603 33.483 -3.506 1.00 0.00 H ATOM 186 HB2 ASN A 23 12.729 32.720 -4.067 1.00 0.00 H ATOM 187 HB3 ASN A 23 11.660 31.298 -4.090 1.00 0.00 H ATOM 188 HD22 ASN A 23 13.744 30.557 -5.227 1.00 0.00 H ATOM 189 HD21 ASN A 23 13.732 30.714 -7.022 1.00 0.00 H ATOM 190 H ASN A 23 9.361 31.847 -5.675 1.00 0.00 H ATOM 191 N GLN A 24 11.971 35.093 -5.125 1.00 18.75 N ATOM 192 CA GLN A 24 12.199 36.425 -5.688 1.00 20.16 C ATOM 193 C GLN A 24 12.478 36.373 -7.193 1.00 20.02 C ATOM 194 O GLN A 24 12.526 37.419 -7.870 1.00 21.50 O ATOM 195 CB GLN A 24 13.340 37.113 -4.909 1.00 20.95 C ATOM 196 CG GLN A 24 14.753 36.695 -5.318 1.00 20.27 C ATOM 197 CD GLN A 24 15.155 35.315 -4.827 1.00 21.19 C ATOM 198 OE1 GLN A 24 14.446 34.674 -4.044 1.00 20.18 O ATOM 199 NE2 GLN A 24 16.306 34.835 -5.316 1.00 21.46 N ATOM 200 HA GLN A 24 11.290 37.016 -5.577 1.00 0.00 H ATOM 201 HB2 GLN A 24 13.250 38.189 -5.059 1.00 0.00 H ATOM 202 HB3 GLN A 24 13.213 36.883 -3.851 1.00 0.00 H ATOM 203 HG2 GLN A 24 14.812 36.702 -6.406 1.00 0.00 H ATOM 204 HG3 GLN A 24 15.457 37.422 -4.913 1.00 0.00 H ATOM 205 HE22 GLN A 24 16.872 35.409 -5.973 1.00 0.00 H ATOM 206 HE21 GLN A 24 16.634 33.888 -5.039 1.00 0.00 H ATOM 207 H GLN A 24 12.706 34.664 -4.527 1.00 0.00 H ATOM 208 N LEU A 25 12.695 35.161 -7.703 1.00 19.39 N ATOM 209 CA LEU A 25 12.967 34.934 -9.136 1.00 20.66 C ATOM 210 C LEU A 25 11.694 34.641 -9.895 1.00 21.60 C ATOM 211 O LEU A 25 11.721 34.591 -11.150 1.00 23.90 O ATOM 212 CB LEU A 25 13.885 33.732 -9.333 1.00 21.86 C ATOM 213 CG LEU A 25 15.243 33.845 -8.638 1.00 22.64 C ATOM 214 CD1 LEU A 25 16.054 32.571 -8.841 1.00 22.05 C ATOM 215 CD2 LEU A 25 16.022 35.060 -9.103 1.00 24.32 C ATOM 216 HA LEU A 25 13.435 35.845 -9.509 1.00 0.00 H ATOM 217 HB2 LEU A 25 13.377 32.849 -8.945 1.00 0.00 H ATOM 218 HB3 LEU A 25 14.059 33.609 -10.402 1.00 0.00 H ATOM 219 HG LEU A 25 15.054 33.975 -7.572 1.00 0.00 H ATOM 220 HD21 LEU A 25 16.194 34.990 -10.177 1.00 0.00 H ATOM 221 HD22 LEU A 25 15.451 35.962 -8.883 1.00 0.00 H ATOM 222 HD23 LEU A 25 16.979 35.098 -8.582 1.00 0.00 H ATOM 223 HD11 LEU A 25 15.510 31.725 -8.421 1.00 0.00 H ATOM 224 HD12 LEU A 25 16.213 32.409 -9.907 1.00 0.00 H ATOM 225 HD13 LEU A 25 17.017 32.671 -8.339 1.00 0.00 H ATOM 226 H LEU A 25 12.672 34.340 -7.064 1.00 0.00 H ATOM 227 N GLY A 26 10.614 34.408 -9.155 1.00 20.94 N ATOM 228 CA GLY A 26 9.326 34.029 -9.766 1.00 21.04 C ATOM 229 C GLY A 26 9.100 32.518 -9.794 1.00 21.28 C ATOM 230 O GLY A 26 8.138 32.057 -10.414 1.00 21.54 O ATOM 231 HA3 GLY A 26 9.303 34.403 -10.790 1.00 0.00 H ATOM 232 HA2 GLY A 26 8.521 34.490 -9.194 1.00 0.00 H ATOM 233 H GLY A 26 10.679 34.495 -8.121 1.00 0.00 H ATOM 234 N SER A 27 9.977 31.738 -9.141 1.00 19.69 N ATOM 235 CA SER A 27 9.775 30.282 -9.092 1.00 19.69 C ATOM 236 C SER A 27 8.693 29.905 -8.071 1.00 20.59 C ATOM 237 O SER A 27 8.410 30.676 -7.159 1.00 19.56 O ATOM 238 CB SER A 27 11.079 29.576 -8.726 1.00 19.43 C ATOM 239 OG SER A 27 12.074 29.926 -9.670 1.00 17.38 O ATOM 240 HA SER A 27 9.450 29.962 -10.082 1.00 0.00 H ATOM 241 HB2 SER A 27 10.927 28.497 -8.739 1.00 0.00 H ATOM 242 HB3 SER A 27 11.395 29.885 -7.730 1.00 0.00 H ATOM 243 HG SER A 27 12.922 29.471 -9.438 1.00 0.00 H ATOM 244 H SER A 27 10.800 32.164 -8.669 1.00 0.00 H ATOM 245 N THR A 28 8.100 28.724 -8.237 1.00 20.28 N ATOM 246 CA THR A 28 7.018 28.273 -7.375 1.00 20.43 C ATOM 247 C THR A 28 7.356 26.938 -6.736 1.00 20.39 C ATOM 248 O THR A 28 7.793 26.009 -7.406 1.00 21.35 O ATOM 249 CB THR A 28 5.720 28.076 -8.193 1.00 21.72 C ATOM 250 OG1 THR A 28 5.371 29.301 -8.829 1.00 26.59 O ATOM 251 CG2 THR A 28 4.560 27.686 -7.268 1.00 25.21 C ATOM 252 HA THR A 28 6.879 29.035 -6.609 1.00 0.00 H ATOM 253 HB THR A 28 5.894 27.290 -8.927 1.00 0.00 H ATOM 254 HG1 THR A 28 6.104 29.578 -9.433 1.00 0.00 H ATOM 255 HG23 THR A 28 4.798 26.749 -6.765 1.00 0.00 H ATOM 256 HG21 THR A 28 4.409 28.470 -6.526 1.00 0.00 H ATOM 257 HG22 THR A 28 3.652 27.563 -7.858 1.00 0.00 H ATOM 258 H THR A 28 8.421 28.104 -9.008 1.00 0.00 H ATOM 259 N LEU A 29 7.190 26.889 -5.411 1.00 18.42 N ATOM 260 CA LEU A 29 7.426 25.681 -4.602 1.00 20.26 C ATOM 261 C LEU A 29 6.064 25.223 -4.107 1.00 20.68 C ATOM 262 O LEU A 29 5.260 26.036 -3.626 1.00 20.84 O ATOM 263 CB LEU A 29 8.316 26.034 -3.395 1.00 21.11 C ATOM 264 CG LEU A 29 8.294 25.173 -2.126 1.00 18.05 C ATOM 265 CD1 LEU A 29 8.836 23.767 -2.396 1.00 21.65 C ATOM 266 CD2 LEU A 29 9.074 25.845 -0.957 1.00 21.30 C ATOM 267 HA LEU A 29 7.923 24.904 -5.183 1.00 0.00 H ATOM 268 HB2 LEU A 29 9.345 26.031 -3.755 1.00 0.00 H ATOM 269 HB3 LEU A 29 8.042 27.044 -3.091 1.00 0.00 H ATOM 270 HG LEU A 29 7.251 25.084 -1.822 1.00 0.00 H ATOM 271 HD21 LEU A 29 10.113 25.993 -1.253 1.00 0.00 H ATOM 272 HD22 LEU A 29 8.620 26.808 -0.725 1.00 0.00 H ATOM 273 HD23 LEU A 29 9.033 25.202 -0.078 1.00 0.00 H ATOM 274 HD11 LEU A 29 8.222 23.282 -3.155 1.00 0.00 H ATOM 275 HD12 LEU A 29 9.865 23.837 -2.749 1.00 0.00 H ATOM 276 HD13 LEU A 29 8.806 23.184 -1.475 1.00 0.00 H ATOM 277 H LEU A 29 6.876 27.753 -4.923 1.00 0.00 H ATOM 278 N ILE A 30 5.760 23.931 -4.250 1.00 20.13 N ATOM 279 CA ILE A 30 4.497 23.410 -3.716 1.00 22.31 C ATOM 280 C ILE A 30 4.884 22.234 -2.829 1.00 21.97 C ATOM 281 O ILE A 30 5.452 21.248 -3.323 1.00 22.90 O ATOM 282 CB ILE A 30 3.528 22.964 -4.832 1.00 25.67 C ATOM 283 CG1 ILE A 30 3.193 24.161 -5.738 1.00 28.82 C ATOM 284 CG2 ILE A 30 2.261 22.410 -4.204 1.00 29.00 C ATOM 285 CD1 ILE A 30 2.188 23.811 -6.826 1.00 30.17 C ATOM 286 HA ILE A 30 3.963 24.183 -3.163 1.00 0.00 H ATOM 287 HB ILE A 30 3.997 22.188 -5.437 1.00 0.00 H ATOM 288 HG12 ILE A 30 2.777 24.959 -5.123 1.00 0.00 H ATOM 289 HG13 ILE A 30 4.112 24.509 -6.210 1.00 0.00 H ATOM 290 HD11 ILE A 30 2.596 23.020 -7.455 1.00 0.00 H ATOM 291 HD12 ILE A 30 1.261 23.470 -6.366 1.00 0.00 H ATOM 292 HD13 ILE A 30 1.990 24.694 -7.434 1.00 0.00 H ATOM 293 HG21 ILE A 30 2.512 21.556 -3.575 1.00 0.00 H ATOM 294 HG22 ILE A 30 1.789 23.183 -3.598 1.00 0.00 H ATOM 295 HG23 ILE A 30 1.575 22.094 -4.990 1.00 0.00 H ATOM 296 H ILE A 30 6.419 23.293 -4.740 1.00 0.00 H ATOM 297 N VAL A 31 4.655 22.346 -1.523 1.00 20.15 N ATOM 298 CA VAL A 31 5.248 21.370 -0.599 1.00 20.40 C ATOM 299 C VAL A 31 4.276 20.931 0.477 1.00 21.20 C ATOM 300 O VAL A 31 3.426 21.712 0.923 1.00 21.69 O ATOM 301 CB VAL A 31 6.530 21.948 0.028 1.00 21.65 C ATOM 302 CG1 VAL A 31 6.218 23.167 0.905 1.00 21.58 C ATOM 303 CG2 VAL A 31 7.283 20.859 0.821 1.00 22.08 C ATOM 304 HA VAL A 31 5.500 20.481 -1.178 1.00 0.00 H ATOM 305 HB VAL A 31 7.181 22.288 -0.778 1.00 0.00 H ATOM 306 HG11 VAL A 31 5.749 23.940 0.297 1.00 0.00 H ATOM 307 HG12 VAL A 31 5.541 22.873 1.707 1.00 0.00 H ATOM 308 HG13 VAL A 31 7.144 23.552 1.333 1.00 0.00 H ATOM 309 HG21 VAL A 31 6.640 20.480 1.615 1.00 0.00 H ATOM 310 HG22 VAL A 31 7.553 20.044 0.150 1.00 0.00 H ATOM 311 HG23 VAL A 31 8.186 21.287 1.256 1.00 0.00 H ATOM 312 H VAL A 31 4.061 23.118 -1.159 1.00 0.00 H ATOM 313 N THR A 32 4.360 19.655 0.851 1.00 20.78 N ATOM 314 CA THR A 32 3.601 19.155 1.988 1.00 20.89 C ATOM 315 C THR A 32 4.629 18.764 3.034 1.00 20.77 C ATOM 316 O THR A 32 5.585 18.053 2.721 1.00 20.64 O ATOM 317 CB THR A 32 2.771 17.906 1.635 1.00 22.29 C ATOM 318 OG1 THR A 32 1.743 18.259 0.695 1.00 27.49 O ATOM 319 CG2 THR A 32 2.101 17.375 2.874 1.00 25.50 C ATOM 320 HA THR A 32 2.904 19.921 2.327 1.00 0.00 H ATOM 321 HB THR A 32 3.435 17.154 1.210 1.00 0.00 H ATOM 322 HG1 THR A 32 2.159 18.621 -0.127 1.00 0.00 H ATOM 323 HG23 THR A 32 2.860 17.099 3.606 1.00 0.00 H ATOM 324 HG21 THR A 32 1.453 18.145 3.293 1.00 0.00 H ATOM 325 HG22 THR A 32 1.506 16.498 2.617 1.00 0.00 H ATOM 326 H THR A 32 4.977 19.006 0.322 1.00 0.00 H ATOM 327 N ALA A 33 4.424 19.228 4.268 1.00 21.18 N ATOM 328 CA ALA A 33 5.253 18.834 5.416 1.00 21.50 C ATOM 329 C ALA A 33 4.581 17.705 6.173 1.00 22.27 C ATOM 330 O ALA A 33 3.395 17.803 6.517 1.00 23.78 O ATOM 331 CB ALA A 33 5.481 20.016 6.358 1.00 21.53 C ATOM 332 HA ALA A 33 6.220 18.500 5.039 1.00 0.00 H ATOM 333 HB1 ALA A 33 5.987 20.816 5.819 1.00 0.00 H ATOM 334 HB2 ALA A 33 4.520 20.376 6.727 1.00 0.00 H ATOM 335 HB3 ALA A 33 6.097 19.696 7.198 1.00 0.00 H ATOM 336 H ALA A 33 3.644 19.898 4.424 1.00 0.00 H ATOM 337 N GLY A 34 5.322 16.623 6.416 1.00 21.78 N ATOM 338 CA GLY A 34 4.778 15.448 7.091 1.00 22.62 C ATOM 339 C GLY A 34 5.003 15.545 8.593 1.00 22.86 C ATOM 340 O GLY A 34 5.902 16.267 9.060 1.00 23.13 O ATOM 341 HA3 GLY A 34 5.273 14.554 6.711 1.00 0.00 H ATOM 342 HA2 GLY A 34 3.708 15.382 6.892 1.00 0.00 H ATOM 343 H GLY A 34 6.318 16.616 6.116 1.00 0.00 H ATOM 344 N ALA A 35 4.202 14.802 9.356 1.00 24.09 N ATOM 345 CA ALA A 35 4.294 14.851 10.803 1.00 25.99 C ATOM 346 C ALA A 35 5.661 14.442 11.346 1.00 27.81 C ATOM 347 O ALA A 35 6.026 14.834 12.448 1.00 30.25 O ATOM 348 CB ALA A 35 3.203 13.955 11.421 1.00 26.41 C ATOM 349 HA ALA A 35 4.148 15.893 11.087 1.00 0.00 H ATOM 350 HB1 ALA A 35 2.222 14.311 11.108 1.00 0.00 H ATOM 351 HB2 ALA A 35 3.343 12.928 11.083 1.00 0.00 H ATOM 352 HB3 ALA A 35 3.275 13.994 12.508 1.00 0.00 H ATOM 353 H ALA A 35 3.501 14.178 8.908 1.00 0.00 H ATOM 354 N ASP A 36 6.392 13.617 10.612 1.00 27.54 N ATOM 355 CA ASP A 36 7.658 13.150 11.136 1.00 29.63 C ATOM 356 C ASP A 36 8.849 13.733 10.389 1.00 27.87 C ATOM 357 O ASP A 36 9.926 13.138 10.390 1.00 29.01 O ATOM 358 CB ASP A 36 7.719 11.637 11.093 1.00 33.61 C ATOM 359 CG ASP A 36 6.665 11.004 11.965 1.00 47.95 C ATOM 360 OD1 ASP A 36 6.672 11.233 13.199 1.00 37.96 O ATOM 361 OD2 ASP A 36 5.812 10.287 11.412 1.00 38.57 O ATOM 362 HA ASP A 36 7.719 13.494 12.169 1.00 0.00 H ATOM 363 HB2 ASP A 36 7.570 11.308 10.065 1.00 0.00 H ATOM 364 HB3 ASP A 36 8.701 11.314 11.438 1.00 0.00 H ATOM 365 H ASP A 36 6.062 13.310 9.675 1.00 0.00 H ATOM 366 N GLY A 37 8.662 14.888 9.756 1.00 24.05 N ATOM 367 CA GLY A 37 9.831 15.612 9.252 1.00 21.22 C ATOM 368 C GLY A 37 9.999 15.575 7.746 1.00 19.75 C ATOM 369 O GLY A 37 10.938 16.168 7.215 1.00 19.06 O ATOM 370 HA3 GLY A 37 10.722 15.176 9.704 1.00 0.00 H ATOM 371 HA2 GLY A 37 9.743 16.654 9.558 1.00 0.00 H ATOM 372 H GLY A 37 7.704 15.270 9.622 1.00 0.00 H ATOM 373 N ALA A 38 9.119 14.880 7.038 1.00 19.35 N ATOM 374 CA ALA A 38 9.268 14.814 5.580 1.00 19.32 C ATOM 375 C ALA A 38 8.828 16.105 4.896 1.00 19.61 C ATOM 376 O ALA A 38 7.870 16.747 5.346 1.00 20.29 O ATOM 377 CB ALA A 38 8.458 13.642 5.017 1.00 21.23 C ATOM 378 HA ALA A 38 10.329 14.669 5.375 1.00 0.00 H ATOM 379 HB1 ALA A 38 8.817 12.711 5.455 1.00 0.00 H ATOM 380 HB2 ALA A 38 7.405 13.779 5.262 1.00 0.00 H ATOM 381 HB3 ALA A 38 8.578 13.606 3.934 1.00 0.00 H ATOM 382 H ALA A 38 8.334 14.388 7.510 1.00 0.00 H ATOM 383 N LEU A 39 9.477 16.450 3.775 1.00 18.38 N ATOM 384 CA LEU A 39 8.955 17.458 2.845 1.00 17.60 C ATOM 385 C LEU A 39 8.851 16.763 1.496 1.00 18.06 C ATOM 386 O LEU A 39 9.776 16.066 1.066 1.00 18.82 O ATOM 387 CB LEU A 39 9.928 18.641 2.688 1.00 17.83 C ATOM 388 CG LEU A 39 10.201 19.466 3.943 1.00 17.71 C ATOM 389 CD1 LEU A 39 11.217 20.543 3.570 1.00 17.93 C ATOM 390 CD2 LEU A 39 8.910 20.109 4.506 1.00 18.95 C ATOM 391 HA LEU A 39 8.005 17.846 3.212 1.00 0.00 H ATOM 392 HB2 LEU A 39 10.881 18.243 2.339 1.00 0.00 H ATOM 393 HB3 LEU A 39 9.517 19.311 1.933 1.00 0.00 H ATOM 394 HG LEU A 39 10.589 18.818 4.728 1.00 0.00 H ATOM 395 HD21 LEU A 39 8.475 20.767 3.753 1.00 0.00 H ATOM 396 HD22 LEU A 39 8.197 19.325 4.761 1.00 0.00 H ATOM 397 HD23 LEU A 39 9.152 20.686 5.398 1.00 0.00 H ATOM 398 HD11 LEU A 39 12.133 20.070 3.217 1.00 0.00 H ATOM 399 HD12 LEU A 39 10.805 21.172 2.781 1.00 0.00 H ATOM 400 HD13 LEU A 39 11.436 21.153 4.446 1.00 0.00 H ATOM 401 H LEU A 39 10.382 15.987 3.557 1.00 0.00 H ATOM 402 N THR A 40 7.696 16.888 0.871 1.00 18.91 N ATOM 403 CA THR A 40 7.505 16.320 -0.465 1.00 19.07 C ATOM 404 C THR A 40 6.701 17.301 -1.290 1.00 19.91 C ATOM 405 O THR A 40 5.782 17.938 -0.790 1.00 21.88 O ATOM 406 CB THR A 40 6.682 15.002 -0.426 1.00 20.12 C ATOM 407 OG1 THR A 40 5.432 15.242 0.222 1.00 23.97 O ATOM 408 CG2 THR A 40 7.427 13.918 0.330 1.00 23.46 C ATOM 409 HA THR A 40 8.492 16.120 -0.881 1.00 0.00 H ATOM 410 HB THR A 40 6.521 14.669 -1.451 1.00 0.00 H ATOM 411 HG1 THR A 40 5.596 15.558 1.146 1.00 0.00 H ATOM 412 HG23 THR A 40 8.383 13.728 -0.158 1.00 0.00 H ATOM 413 HG21 THR A 40 7.600 14.245 1.355 1.00 0.00 H ATOM 414 HG22 THR A 40 6.832 13.005 0.334 1.00 0.00 H ATOM 415 H THR A 40 6.913 17.395 1.332 1.00 0.00 H ATOM 416 N GLY A 41 7.014 17.406 -2.575 1.00 18.42 N ATOM 417 CA GLY A 41 6.232 18.322 -3.396 1.00 18.50 C ATOM 418 C GLY A 41 6.823 18.476 -4.780 1.00 18.43 C ATOM 419 O GLY A 41 7.463 17.550 -5.300 1.00 18.98 O ATOM 420 HA3 GLY A 41 6.207 19.298 -2.911 1.00 0.00 H ATOM 421 HA2 GLY A 41 5.216 17.937 -3.486 1.00 0.00 H ATOM 422 H GLY A 41 7.793 16.852 -2.984 1.00 0.00 H ATOM 423 N THR A 42 6.639 19.655 -5.365 1.00 18.53 N ATOM 424 CA THR A 42 7.172 19.907 -6.701 1.00 18.88 C ATOM 425 C THR A 42 7.705 21.320 -6.749 1.00 19.18 C ATOM 426 O THR A 42 7.351 22.133 -5.890 1.00 19.90 O ATOM 427 CB THR A 42 6.123 19.735 -7.803 1.00 21.28 C ATOM 428 OG1 THR A 42 5.018 20.606 -7.558 1.00 25.37 O ATOM 429 CG2 THR A 42 5.610 18.295 -7.826 1.00 24.86 C ATOM 430 HA THR A 42 7.958 19.174 -6.885 1.00 0.00 H ATOM 431 HB THR A 42 6.586 19.975 -8.760 1.00 0.00 H ATOM 432 HG1 THR A 42 4.613 20.385 -6.682 1.00 0.00 H ATOM 433 HG23 THR A 42 6.443 17.617 -8.012 1.00 0.00 H ATOM 434 HG21 THR A 42 5.154 18.058 -6.865 1.00 0.00 H ATOM 435 HG22 THR A 42 4.868 18.187 -8.617 1.00 0.00 H ATOM 436 H THR A 42 6.113 20.402 -4.869 1.00 0.00 H ATOM 437 N TYR A 43 8.528 21.598 -7.758 1.00 18.45 N ATOM 438 CA TYR A 43 9.150 22.910 -7.902 1.00 17.29 C ATOM 439 C TYR A 43 9.113 23.291 -9.359 1.00 19.02 C ATOM 440 O TYR A 43 9.381 22.458 -10.223 1.00 19.56 O ATOM 441 CB TYR A 43 10.616 22.830 -7.461 1.00 16.58 C ATOM 442 CG TYR A 43 11.223 24.169 -7.139 1.00 16.36 C ATOM 443 CD1 TYR A 43 11.779 24.947 -8.140 1.00 16.60 C ATOM 444 CD2 TYR A 43 11.257 24.625 -5.815 1.00 15.76 C ATOM 445 CE1 TYR A 43 12.365 26.214 -7.861 1.00 16.64 C ATOM 446 CE2 TYR A 43 11.840 25.869 -5.516 1.00 16.76 C ATOM 447 CZ TYR A 43 12.385 26.643 -6.534 1.00 16.46 C ATOM 448 OH TYR A 43 12.950 27.869 -6.231 1.00 18.06 O ATOM 449 HA TYR A 43 8.620 23.642 -7.293 1.00 0.00 H ATOM 450 HB3 TYR A 43 11.194 22.374 -8.265 1.00 0.00 H ATOM 451 HB2 TYR A 43 10.675 22.202 -6.572 1.00 0.00 H ATOM 452 HD2 TYR A 43 10.832 24.016 -5.017 1.00 0.00 H ATOM 453 HE2 TYR A 43 11.865 26.226 -4.487 1.00 0.00 H ATOM 454 HE1 TYR A 43 12.784 26.828 -8.658 1.00 0.00 H ATOM 455 HD1 TYR A 43 11.768 24.581 -9.167 1.00 0.00 H ATOM 456 HH TYR A 43 13.289 28.289 -7.061 1.00 0.00 H ATOM 457 H TYR A 43 8.733 20.861 -8.462 1.00 0.00 H ATOM 458 N GLU A 44 8.787 24.560 -9.632 1.00 18.38 N ATOM 459 CA GLU A 44 8.804 25.089 -10.997 1.00 19.04 C ATOM 460 C GLU A 44 9.737 26.295 -11.006 1.00 19.65 C ATOM 461 O GLU A 44 9.496 27.274 -10.285 1.00 19.71 O ATOM 462 CB GLU A 44 7.404 25.533 -11.408 1.00 22.03 C ATOM 463 CG GLU A 44 7.376 26.093 -12.818 1.00 36.45 C ATOM 464 CD GLU A 44 5.968 26.216 -13.397 1.00 27.95 C ATOM 465 OE1 GLU A 44 4.970 25.965 -12.670 1.00 38.74 O ATOM 466 OE2 GLU A 44 5.875 26.517 -14.604 1.00 39.37 O ATOM 467 HA GLU A 44 9.142 24.323 -11.695 1.00 0.00 H ATOM 468 HB2 GLU A 44 6.733 24.675 -11.356 1.00 0.00 H ATOM 469 HB3 GLU A 44 7.061 26.303 -10.716 1.00 0.00 H ATOM 470 HG2 GLU A 44 7.832 27.083 -12.805 1.00 0.00 H ATOM 471 HG3 GLU A 44 7.958 25.435 -13.463 1.00 0.00 H ATOM 472 H GLU A 44 8.513 25.189 -8.851 1.00 0.00 H ATOM 473 N SER A 45 10.839 26.203 -11.761 1.00 18.27 N ATOM 474 CA SER A 45 11.807 27.315 -11.766 1.00 18.36 C ATOM 475 C SER A 45 11.506 28.320 -12.855 1.00 20.00 C ATOM 476 O SER A 45 11.270 27.944 -14.021 1.00 20.87 O ATOM 477 CB SER A 45 13.233 26.800 -11.978 1.00 18.90 C ATOM 478 OG SER A 45 14.131 27.906 -12.020 1.00 18.61 O ATOM 479 HA SER A 45 11.721 27.799 -10.793 1.00 0.00 H ATOM 480 HB2 SER A 45 13.286 26.251 -12.918 1.00 0.00 H ATOM 481 HB3 SER A 45 13.508 26.138 -11.156 1.00 0.00 H ATOM 482 HG SER A 45 13.880 28.505 -12.767 1.00 0.00 H ATOM 483 H SER A 45 11.010 25.355 -12.338 1.00 0.00 H ATOM 484 N ALA A 46 11.557 29.602 -12.514 1.00 19.59 N ATOM 485 CA ALA A 46 11.345 30.636 -13.499 1.00 20.75 C ATOM 486 C ALA A 46 12.604 30.935 -14.299 1.00 20.54 C ATOM 487 O ALA A 46 12.544 31.689 -15.294 1.00 21.95 O ATOM 488 CB ALA A 46 10.853 31.901 -12.838 1.00 21.31 C ATOM 489 HA ALA A 46 10.589 30.265 -14.191 1.00 0.00 H ATOM 490 HB1 ALA A 46 9.912 31.700 -12.326 1.00 0.00 H ATOM 491 HB2 ALA A 46 11.594 32.244 -12.116 1.00 0.00 H ATOM 492 HB3 ALA A 46 10.699 32.669 -13.596 1.00 0.00 H ATOM 493 H ALA A 46 11.752 29.864 -11.527 1.00 0.00 H ATOM 494 N VAL A 47 13.732 30.374 -13.876 1.00 19.18 N ATOM 495 CA VAL A 47 14.995 30.644 -14.563 1.00 19.63 C ATOM 496 C VAL A 47 15.743 29.358 -14.877 1.00 19.47 C ATOM 497 O VAL A 47 15.401 28.294 -14.348 1.00 19.65 O ATOM 498 CB VAL A 47 15.924 31.525 -13.703 1.00 20.02 C ATOM 499 CG1 VAL A 47 15.268 32.904 -13.451 1.00 20.40 C ATOM 500 CG2 VAL A 47 16.274 30.833 -12.371 1.00 19.67 C ATOM 501 HA VAL A 47 14.735 31.161 -15.487 1.00 0.00 H ATOM 502 HB VAL A 47 16.855 31.676 -14.250 1.00 0.00 H ATOM 503 HG11 VAL A 47 15.088 33.399 -14.405 1.00 0.00 H ATOM 504 HG12 VAL A 47 14.322 32.765 -12.928 1.00 0.00 H ATOM 505 HG13 VAL A 47 15.934 33.516 -12.843 1.00 0.00 H ATOM 506 HG21 VAL A 47 15.359 30.642 -11.811 1.00 0.00 H ATOM 507 HG22 VAL A 47 16.780 29.889 -12.575 1.00 0.00 H ATOM 508 HG23 VAL A 47 16.930 31.480 -11.788 1.00 0.00 H ATOM 509 H VAL A 47 13.717 29.740 -13.052 1.00 0.00 H ATOM 510 N GLY A 48 16.780 29.466 -15.723 1.00 19.36 N ATOM 511 CA GLY A 48 17.640 28.319 -15.967 1.00 18.63 C ATOM 512 C GLY A 48 17.082 27.365 -17.005 1.00 20.06 C ATOM 513 O GLY A 48 16.070 27.638 -17.646 1.00 20.21 O ATOM 514 HA3 GLY A 48 17.768 27.776 -15.030 1.00 0.00 H ATOM 515 HA2 GLY A 48 18.609 28.679 -16.312 1.00 0.00 H ATOM 516 H GLY A 48 16.968 30.369 -16.203 1.00 0.00 H ATOM 517 N ASN A 49 17.738 26.221 -17.131 1.00 20.49 N ATOM 518 CA ASN A 49 17.378 25.208 -18.117 1.00 22.17 C ATOM 519 C ASN A 49 16.313 24.283 -17.520 1.00 21.58 C ATOM 520 O ASN A 49 16.600 23.169 -17.092 1.00 21.85 O ATOM 521 CB ASN A 49 18.627 24.395 -18.478 1.00 24.06 C ATOM 522 CG ASN A 49 18.390 23.424 -19.613 1.00 30.68 C ATOM 523 OD1 ASN A 49 17.333 23.442 -20.233 1.00 27.02 O ATOM 524 ND2 ASN A 49 19.380 22.562 -19.892 1.00 26.92 N ATOM 525 HA ASN A 49 16.982 25.683 -19.015 1.00 0.00 H ATOM 526 HB2 ASN A 49 19.419 25.085 -18.770 1.00 0.00 H ATOM 527 HB3 ASN A 49 18.942 23.833 -17.599 1.00 0.00 H ATOM 528 HD22 ASN A 49 20.260 22.584 -19.338 1.00 0.00 H ATOM 529 HD21 ASN A 49 19.267 21.872 -20.662 1.00 0.00 H ATOM 530 H ASN A 49 18.544 26.037 -16.500 1.00 0.00 H ATOM 531 N ALA A 50 15.093 24.792 -17.442 1.00 20.58 N ATOM 532 CA ALA A 50 14.033 24.142 -16.706 1.00 20.63 C ATOM 533 C ALA A 50 12.700 24.495 -17.327 1.00 22.08 C ATOM 534 O ALA A 50 12.495 25.621 -17.779 1.00 23.43 O ATOM 535 CB ALA A 50 14.065 24.606 -15.234 1.00 20.19 C ATOM 536 HA ALA A 50 14.173 23.062 -16.743 1.00 0.00 H ATOM 537 HB1 ALA A 50 15.027 24.344 -14.793 1.00 0.00 H ATOM 538 HB2 ALA A 50 13.927 25.686 -15.192 1.00 0.00 H ATOM 539 HB3 ALA A 50 13.264 24.114 -14.682 1.00 0.00 H ATOM 540 H ALA A 50 14.891 25.690 -17.927 1.00 0.00 H ATOM 541 N GLU A 51 11.797 23.531 -17.386 1.00 22.40 N ATOM 542 CA GLU A 51 10.443 23.813 -17.835 1.00 23.91 C ATOM 543 C GLU A 51 9.511 22.809 -17.178 1.00 24.09 C ATOM 544 O GLU A 51 9.838 21.615 -17.066 1.00 24.76 O ATOM 545 CB GLU A 51 10.332 23.777 -19.370 1.00 25.98 C ATOM 546 CG GLU A 51 10.155 22.396 -19.984 1.00 33.50 C ATOM 547 CD GLU A 51 9.877 22.430 -21.496 1.00 28.66 C ATOM 548 OE1 GLU A 51 8.709 22.214 -21.889 1.00 35.16 O ATOM 549 OE2 GLU A 51 10.816 22.658 -22.299 1.00 34.50 O ATOM 550 HA GLU A 51 10.160 24.824 -17.540 1.00 0.00 H ATOM 551 HB2 GLU A 51 9.475 24.385 -19.659 1.00 0.00 H ATOM 552 HB3 GLU A 51 11.241 24.214 -19.783 1.00 0.00 H ATOM 553 HG2 GLU A 51 11.066 21.822 -19.813 1.00 0.00 H ATOM 554 HG3 GLU A 51 9.318 21.903 -19.490 1.00 0.00 H ATOM 555 H GLU A 51 12.057 22.563 -17.109 1.00 0.00 H ATOM 556 N GLY A 52 8.371 23.301 -16.711 1.00 23.46 N ATOM 557 CA GLY A 52 7.417 22.430 -16.039 1.00 23.37 C ATOM 558 C GLY A 52 7.817 22.231 -14.585 1.00 22.88 C ATOM 559 O GLY A 52 8.673 22.950 -14.046 1.00 23.73 O ATOM 560 HA3 GLY A 52 7.396 21.463 -16.542 1.00 0.00 H ATOM 561 HA2 GLY A 52 6.426 22.882 -16.081 1.00 0.00 H ATOM 562 H GLY A 52 8.158 24.312 -16.825 1.00 0.00 H ATOM 563 N SER A 53 7.202 21.236 -13.954 1.00 21.84 N ATOM 564 CA SER A 53 7.454 20.900 -12.547 1.00 20.74 C ATOM 565 C SER A 53 8.451 19.762 -12.369 1.00 20.46 C ATOM 566 O SER A 53 8.500 18.830 -13.197 1.00 21.35 O ATOM 567 CB SER A 53 6.133 20.507 -11.888 1.00 21.97 C ATOM 568 OG SER A 53 5.231 21.598 -11.951 1.00 25.49 O ATOM 569 HA SER A 53 7.889 21.784 -12.080 1.00 0.00 H ATOM 570 HB2 SER A 53 6.311 20.242 -10.846 1.00 0.00 H ATOM 571 HB3 SER A 53 5.706 19.651 -12.411 1.00 0.00 H ATOM 572 HG SER A 53 4.375 21.342 -11.524 1.00 0.00 H ATOM 573 H SER A 53 6.509 20.668 -14.482 1.00 0.00 H ATOM 574 N TYR A 54 9.193 19.813 -11.264 1.00 18.70 N ATOM 575 CA TYR A 54 10.204 18.820 -10.938 1.00 17.20 C ATOM 576 C TYR A 54 9.910 18.312 -9.548 1.00 17.74 C ATOM 577 O TYR A 54 9.460 19.062 -8.681 1.00 18.14 O ATOM 578 CB TYR A 54 11.600 19.486 -10.924 1.00 16.20 C ATOM 579 CG TYR A 54 11.981 19.939 -12.293 1.00 17.73 C ATOM 580 CD1 TYR A 54 11.518 21.156 -12.792 1.00 18.54 C ATOM 581 CD2 TYR A 54 12.812 19.161 -13.080 1.00 17.62 C ATOM 582 CE1 TYR A 54 11.867 21.560 -14.102 1.00 17.62 C ATOM 583 CE2 TYR A 54 13.163 19.543 -14.375 1.00 17.43 C ATOM 584 CZ TYR A 54 12.703 20.753 -14.869 1.00 19.33 C ATOM 585 OH TYR A 54 13.045 21.122 -16.166 1.00 18.43 O ATOM 586 HA TYR A 54 10.191 18.013 -11.671 1.00 0.00 H ATOM 587 HB3 TYR A 54 12.337 18.766 -10.567 1.00 0.00 H ATOM 588 HB2 TYR A 54 11.580 20.346 -10.255 1.00 0.00 H ATOM 589 HD2 TYR A 54 13.202 18.226 -12.678 1.00 0.00 H ATOM 590 HE2 TYR A 54 13.791 18.898 -14.990 1.00 0.00 H ATOM 591 HE1 TYR A 54 11.484 22.496 -14.508 1.00 0.00 H ATOM 592 HD1 TYR A 54 10.888 21.795 -12.173 1.00 0.00 H ATOM 593 HH TYR A 54 14.030 21.179 -16.243 1.00 0.00 H ATOM 594 H TYR A 54 9.042 20.601 -10.602 1.00 0.00 H ATOM 595 N VAL A 55 10.190 17.034 -9.320 1.00 17.13 N ATOM 596 CA VAL A 55 9.995 16.473 -7.974 1.00 17.24 C ATOM 597 C VAL A 55 10.934 17.100 -6.943 1.00 17.69 C ATOM 598 O VAL A 55 12.130 17.324 -7.207 1.00 18.42 O ATOM 599 CB VAL A 55 10.192 14.944 -8.011 1.00 17.92 C ATOM 600 CG1 VAL A 55 10.163 14.350 -6.583 1.00 20.02 C ATOM 601 CG2 VAL A 55 9.150 14.299 -8.928 1.00 20.88 C ATOM 602 HA VAL A 55 8.976 16.706 -7.666 1.00 0.00 H ATOM 603 HB VAL A 55 11.176 14.723 -8.425 1.00 0.00 H ATOM 604 HG11 VAL A 55 10.963 14.793 -5.990 1.00 0.00 H ATOM 605 HG12 VAL A 55 9.201 14.569 -6.119 1.00 0.00 H ATOM 606 HG13 VAL A 55 10.304 13.271 -6.637 1.00 0.00 H ATOM 607 HG21 VAL A 55 8.151 14.522 -8.554 1.00 0.00 H ATOM 608 HG22 VAL A 55 9.259 14.698 -9.937 1.00 0.00 H ATOM 609 HG23 VAL A 55 9.301 13.220 -8.945 1.00 0.00 H ATOM 610 H VAL A 55 10.546 16.432 -10.090 1.00 0.00 H ATOM 611 N LEU A 56 10.397 17.384 -5.761 1.00 18.59 N ATOM 612 CA LEU A 56 11.172 17.957 -4.642 1.00 19.54 C ATOM 613 C LEU A 56 11.009 17.005 -3.452 1.00 18.81 C ATOM 614 O LEU A 56 9.927 16.452 -3.227 1.00 18.68 O ATOM 615 CB LEU A 56 10.608 19.338 -4.301 1.00 22.99 C ATOM 616 CG LEU A 56 10.931 20.155 -3.061 1.00 25.81 C ATOM 617 CD1 LEU A 56 10.608 21.661 -3.351 1.00 24.98 C ATOM 618 CD2 LEU A 56 10.171 19.582 -1.846 1.00 22.14 C ATOM 619 HA LEU A 56 12.226 18.069 -4.897 1.00 0.00 H ATOM 620 HB2 LEU A 56 10.883 19.974 -5.142 1.00 0.00 H ATOM 621 HB3 LEU A 56 9.526 19.208 -4.284 1.00 0.00 H ATOM 622 HG LEU A 56 11.991 20.095 -2.812 1.00 0.00 H ATOM 623 HD21 LEU A 56 9.099 19.624 -2.037 1.00 0.00 H ATOM 624 HD22 LEU A 56 10.473 18.547 -1.686 1.00 0.00 H ATOM 625 HD23 LEU A 56 10.407 20.172 -0.960 1.00 0.00 H ATOM 626 HD11 LEU A 56 11.213 22.006 -4.190 1.00 0.00 H ATOM 627 HD12 LEU A 56 9.551 21.764 -3.597 1.00 0.00 H ATOM 628 HD13 LEU A 56 10.836 22.257 -2.467 1.00 0.00 H ATOM 629 H LEU A 56 9.385 17.194 -5.617 1.00 0.00 H ATOM 630 N THR A 57 12.093 16.787 -2.706 1.00 17.08 N ATOM 631 CA THR A 57 11.979 16.066 -1.441 1.00 17.07 C ATOM 632 C THR A 57 12.948 16.683 -0.429 1.00 16.72 C ATOM 633 O THR A 57 14.016 17.177 -0.802 1.00 17.09 O ATOM 634 CB THR A 57 12.252 14.538 -1.638 1.00 18.09 C ATOM 635 OG1 THR A 57 12.026 13.841 -0.413 1.00 11.20 O ATOM 636 CG2 THR A 57 13.681 14.300 -2.100 1.00 12.66 C ATOM 637 HA THR A 57 10.962 16.158 -1.061 1.00 0.00 H ATOM 638 HB THR A 57 11.570 14.165 -2.402 1.00 0.00 H ATOM 639 HG1 THR A 57 11.087 13.971 -0.129 1.00 0.00 H ATOM 640 HG23 THR A 57 13.853 14.833 -3.035 1.00 0.00 H ATOM 641 HG21 THR A 57 14.373 14.665 -1.341 1.00 0.00 H ATOM 642 HG22 THR A 57 13.839 13.233 -2.254 1.00 0.00 H ATOM 643 H THR A 57 13.021 17.131 -3.026 1.00 0.00 H ATOM 644 N GLY A 58 12.592 16.672 0.851 1.00 17.00 N ATOM 645 CA GLY A 58 13.495 17.259 1.826 1.00 16.85 C ATOM 646 C GLY A 58 13.104 16.849 3.223 1.00 15.92 C ATOM 647 O GLY A 58 12.312 15.898 3.421 1.00 16.35 O ATOM 648 HA3 GLY A 58 13.453 18.345 1.746 1.00 0.00 H ATOM 649 HA2 GLY A 58 14.511 16.920 1.624 1.00 0.00 H ATOM 650 H GLY A 58 11.688 16.253 1.148 1.00 0.00 H ATOM 651 N ARG A 59 13.631 17.587 4.197 1.00 15.06 N ATOM 652 CA ARG A 59 13.340 17.308 5.616 1.00 15.71 C ATOM 653 C ARG A 59 13.245 18.638 6.342 1.00 17.05 C ATOM 654 O ARG A 59 13.876 19.629 5.967 1.00 16.88 O ATOM 655 CB ARG A 59 14.478 16.480 6.272 1.00 16.26 C ATOM 656 CG ARG A 59 14.833 15.170 5.564 1.00 17.30 C ATOM 657 CD ARG A 59 13.790 14.072 5.785 1.00 17.56 C ATOM 658 NE ARG A 59 13.671 13.771 7.224 1.00 18.17 N ATOM 659 CZ ARG A 59 12.649 13.111 7.776 1.00 16.94 C ATOM 660 NH1 ARG A 59 11.625 12.676 7.012 1.00 20.59 N ATOM 661 NH2 ARG A 59 12.632 12.941 9.113 1.00 20.37 N ATOM 662 HA ARG A 59 12.412 16.739 5.681 1.00 0.00 H ATOM 663 HB2 ARG A 59 15.373 17.101 6.298 1.00 0.00 H ATOM 664 HB3 ARG A 59 14.174 16.240 7.291 1.00 0.00 H ATOM 665 HG2 ARG A 59 14.914 15.363 4.494 1.00 0.00 H ATOM 666 HG3 ARG A 59 15.793 14.819 5.942 1.00 0.00 H ATOM 667 HD2 ARG A 59 14.095 13.172 5.252 1.00 0.00 H ATOM 668 HD3 ARG A 59 12.825 14.409 5.405 1.00 0.00 H ATOM 669 HE ARG A 59 14.435 14.095 7.852 1.00 0.00 H ATOM 670 HH12 ARG A 59 10.832 12.163 7.448 1.00 0.00 H ATOM 671 HH11 ARG A 59 11.629 12.854 5.987 1.00 0.00 H ATOM 672 HH22 ARG A 59 11.845 12.430 9.562 1.00 0.00 H ATOM 673 HH21 ARG A 59 13.405 13.321 9.695 1.00 0.00 H ATOM 674 H ARG A 59 14.261 18.377 3.953 1.00 0.00 H ATOM 675 N TYR A 60 12.494 18.657 7.439 1.00 17.83 N ATOM 676 CA TYR A 60 12.497 19.820 8.313 1.00 17.66 C ATOM 677 C TYR A 60 12.449 19.354 9.752 1.00 18.15 C ATOM 678 O TYR A 60 12.107 18.189 10.036 1.00 18.58 O ATOM 679 CB TYR A 60 11.295 20.736 8.003 1.00 17.32 C ATOM 680 CG TYR A 60 9.968 20.208 8.509 1.00 18.96 C ATOM 681 CD1 TYR A 60 9.358 19.107 7.906 1.00 19.29 C ATOM 682 CD2 TYR A 60 9.330 20.786 9.625 1.00 19.65 C ATOM 683 CE1 TYR A 60 8.139 18.601 8.378 1.00 20.48 C ATOM 684 CE2 TYR A 60 8.104 20.284 10.102 1.00 20.53 C ATOM 685 CZ TYR A 60 7.538 19.188 9.489 1.00 20.76 C ATOM 686 OH TYR A 60 6.340 18.698 9.975 1.00 22.55 O ATOM 687 HA TYR A 60 13.408 20.395 8.146 1.00 0.00 H ATOM 688 HB3 TYR A 60 11.226 20.856 6.922 1.00 0.00 H ATOM 689 HB2 TYR A 60 11.476 21.707 8.465 1.00 0.00 H ATOM 690 HD2 TYR A 60 9.793 21.635 10.127 1.00 0.00 H ATOM 691 HE2 TYR A 60 7.607 20.758 10.948 1.00 0.00 H ATOM 692 HE1 TYR A 60 7.665 17.755 7.880 1.00 0.00 H ATOM 693 HD1 TYR A 60 9.839 18.631 7.051 1.00 0.00 H ATOM 694 HH TYR A 60 6.062 17.916 9.436 1.00 0.00 H ATOM 695 H TYR A 60 11.901 17.836 7.674 1.00 0.00 H ATOM 696 N ASP A 61 12.828 20.257 10.657 1.00 17.33 N ATOM 697 CA ASP A 61 12.741 20.004 12.112 1.00 18.47 C ATOM 698 C ASP A 61 11.270 20.039 12.520 1.00 20.22 C ATOM 699 O ASP A 61 10.653 21.114 12.574 1.00 20.13 O ATOM 700 CB ASP A 61 13.553 21.075 12.824 1.00 19.17 C ATOM 701 CG ASP A 61 13.451 20.987 14.338 1.00 21.65 C ATOM 702 OD1 ASP A 61 12.803 20.035 14.837 1.00 21.39 O ATOM 703 OD2 ASP A 61 14.045 21.854 15.012 1.00 20.92 O ATOM 704 HA ASP A 61 13.144 19.028 12.382 1.00 0.00 H ATOM 705 HB2 ASP A 61 14.599 20.965 12.539 1.00 0.00 H ATOM 706 HB3 ASP A 61 13.192 22.053 12.507 1.00 0.00 H ATOM 707 H ASP A 61 13.198 21.172 10.328 1.00 0.00 H ATOM 708 N SER A 62 10.708 18.867 12.804 1.00 21.17 N ATOM 709 CA SER A 62 9.280 18.760 13.137 1.00 23.38 C ATOM 710 C SER A 62 8.956 19.035 14.605 1.00 26.36 C ATOM 711 O SER A 62 7.805 18.862 15.034 1.00 27.85 O ATOM 712 CB SER A 62 8.730 17.390 12.729 1.00 24.38 C ATOM 713 OG SER A 62 9.521 16.361 13.281 1.00 28.71 O ATOM 714 HA SER A 62 8.789 19.547 12.564 1.00 0.00 H ATOM 715 HB2 SER A 62 8.739 17.308 11.642 1.00 0.00 H ATOM 716 HB3 SER A 62 7.707 17.291 13.091 1.00 0.00 H ATOM 717 HG SER A 62 9.154 15.483 13.009 1.00 0.00 H ATOM 718 H SER A 62 11.292 18.007 12.790 1.00 0.00 H ATOM 719 N ALA A 63 9.953 19.418 15.387 1.00 26.16 N ATOM 720 CA ALA A 63 9.693 19.843 16.757 1.00 28.18 C ATOM 721 C ALA A 63 10.644 20.979 17.114 1.00 28.26 C ATOM 722 O ALA A 63 11.503 20.831 17.993 1.00 28.28 O ATOM 723 CB ALA A 63 9.832 18.689 17.725 1.00 29.44 C ATOM 724 HA ALA A 63 8.665 20.198 16.832 1.00 0.00 H ATOM 725 HB1 ALA A 63 9.119 17.908 17.462 1.00 0.00 H ATOM 726 HB2 ALA A 63 10.845 18.291 17.671 1.00 0.00 H ATOM 727 HB3 ALA A 63 9.632 19.040 18.737 1.00 0.00 H ATOM 728 H ALA A 63 10.927 19.416 15.022 1.00 0.00 H ATOM 729 N PRO A 64 10.476 22.128 16.444 1.00 28.68 N ATOM 730 CA PRO A 64 11.437 23.216 16.598 1.00 28.94 C ATOM 731 C PRO A 64 11.326 23.909 17.956 1.00 31.65 C ATOM 732 O PRO A 64 10.353 23.718 18.688 1.00 31.88 O ATOM 733 CB PRO A 64 11.067 24.170 15.463 1.00 28.68 C ATOM 734 CG PRO A 64 9.586 23.951 15.298 1.00 31.72 C ATOM 735 CD PRO A 64 9.432 22.461 15.451 1.00 28.82 C ATOM 736 HA PRO A 64 12.468 22.864 16.555 1.00 0.00 H ATOM 737 HD3 PRO A 64 8.440 22.204 15.822 1.00 0.00 H ATOM 738 HD2 PRO A 64 9.610 21.948 14.506 1.00 0.00 H ATOM 739 HG3 PRO A 64 9.251 24.279 14.314 1.00 0.00 H ATOM 740 HG2 PRO A 64 9.025 24.482 16.067 1.00 0.00 H ATOM 741 HB2 PRO A 64 11.282 25.203 15.735 1.00 0.00 H ATOM 742 HB3 PRO A 64 11.604 23.917 14.549 1.00 0.00 H ATOM 743 N ALA A 65 12.352 24.686 18.287 1.00 34.52 N ATOM 744 CA ALA A 65 12.381 25.420 19.544 1.00 38.36 C ATOM 745 C ALA A 65 11.271 26.456 19.512 1.00 41.61 C ATOM 746 O ALA A 65 10.892 26.934 18.449 1.00 41.94 O ATOM 747 CB ALA A 65 13.759 26.086 19.744 1.00 38.41 C ATOM 748 HA ALA A 65 12.223 24.742 20.383 1.00 0.00 H ATOM 749 HB1 ALA A 65 14.533 25.319 19.761 1.00 0.00 H ATOM 750 HB2 ALA A 65 13.950 26.777 18.923 1.00 0.00 H ATOM 751 HB3 ALA A 65 13.764 26.631 20.688 1.00 0.00 H ATOM 752 H ALA A 65 13.155 24.772 17.631 1.00 0.00 H ATOM 753 N THR A 66 10.731 26.792 20.674 1.00 44.93 N ATOM 754 CA THR A 66 9.667 27.791 20.745 1.00 46.80 C ATOM 755 C THR A 66 10.163 29.052 21.442 1.00 47.79 C ATOM 756 O THR A 66 9.424 29.682 22.191 1.00 49.95 O ATOM 757 CB THR A 66 8.438 27.257 21.512 1.00 47.99 C ATOM 758 OG1 THR A 66 8.874 26.666 22.743 1.00 55.13 O ATOM 759 CG2 THR A 66 7.691 26.210 20.669 1.00 54.28 C ATOM 760 HA THR A 66 9.375 28.020 19.720 1.00 0.00 H ATOM 761 HB THR A 66 7.758 28.084 21.718 1.00 0.00 H ATOM 762 HG1 THR A 66 9.338 27.349 23.290 1.00 0.00 H ATOM 763 HG23 THR A 66 7.362 26.665 19.735 1.00 0.00 H ATOM 764 HG21 THR A 66 8.359 25.376 20.453 1.00 0.00 H ATOM 765 HG22 THR A 66 6.825 25.850 21.224 1.00 0.00 H ATOM 766 H THR A 66 11.069 26.339 21.547 1.00 0.00 H ATOM 767 N ASP A 67 11.416 29.413 21.187 1.00 46.21 N ATOM 768 CA ASP A 67 12.063 30.541 21.838 1.00 45.41 C ATOM 769 C ASP A 67 12.211 31.728 20.889 1.00 44.18 C ATOM 770 O ASP A 67 12.992 32.643 21.161 1.00 45.25 O ATOM 771 CB ASP A 67 13.464 30.126 22.265 1.00 45.18 C ATOM 772 CG ASP A 67 14.308 29.690 21.085 1.00 52.93 C ATOM 773 OD1 ASP A 67 13.753 29.619 19.970 1.00 43.59 O ATOM 774 OD2 ASP A 67 15.512 29.421 21.257 1.00 44.11 O ATOM 775 HA ASP A 67 11.446 30.833 22.688 1.00 0.00 H ATOM 776 HB2 ASP A 67 13.949 30.972 22.752 1.00 0.00 H ATOM 777 HB3 ASP A 67 13.387 29.297 22.969 1.00 0.00 H ATOM 778 H ASP A 67 11.959 28.864 20.490 1.00 0.00 H ATOM 779 N GLY A 68 11.491 31.705 19.771 1.00 41.46 N ATOM 780 CA GLY A 68 11.601 32.767 18.765 1.00 39.08 C ATOM 781 C GLY A 68 12.503 32.396 17.589 1.00 36.06 C ATOM 782 O GLY A 68 12.696 33.183 16.652 1.00 36.38 O ATOM 783 HA3 GLY A 68 12.007 33.658 19.245 1.00 0.00 H ATOM 784 HA2 GLY A 68 10.604 32.985 18.381 1.00 0.00 H ATOM 785 H GLY A 68 10.834 30.915 19.606 1.00 0.00 H ATOM 786 N SER A 69 13.075 31.201 17.634 1.00 32.54 N ATOM 787 CA SER A 69 13.932 30.741 16.550 1.00 28.69 C ATOM 788 C SER A 69 13.139 30.274 15.328 1.00 25.71 C ATOM 789 O SER A 69 11.977 29.860 15.430 1.00 26.19 O ATOM 790 CB SER A 69 14.811 29.583 17.043 1.00 29.08 C ATOM 791 OG SER A 69 15.603 29.998 18.129 1.00 46.09 O ATOM 792 HA SER A 69 14.543 31.591 16.245 1.00 0.00 H ATOM 793 HB2 SER A 69 15.459 29.252 16.231 1.00 0.00 H ATOM 794 HB3 SER A 69 14.174 28.756 17.358 1.00 0.00 H ATOM 795 HG SER A 69 15.017 30.296 18.869 1.00 0.00 H ATOM 796 H SER A 69 12.910 30.584 18.454 1.00 0.00 H ATOM 797 N GLY A 70 13.766 30.322 14.156 1.00 22.45 N ATOM 798 CA GLY A 70 13.146 29.727 12.990 1.00 21.09 C ATOM 799 C GLY A 70 13.245 28.203 13.021 1.00 20.68 C ATOM 800 O GLY A 70 13.814 27.609 13.952 1.00 20.36 O ATOM 801 HA3 GLY A 70 13.646 30.097 12.095 1.00 0.00 H ATOM 802 HA2 GLY A 70 12.095 30.014 12.962 1.00 0.00 H ATOM 803 H GLY A 70 14.695 30.783 14.077 1.00 0.00 H ATOM 804 N THR A 71 12.675 27.583 11.998 1.00 19.54 N ATOM 805 CA THR A 71 12.605 26.129 11.896 1.00 19.11 C ATOM 806 C THR A 71 13.509 25.672 10.779 1.00 18.32 C ATOM 807 O THR A 71 13.285 26.026 9.614 1.00 18.43 O ATOM 808 CB THR A 71 11.159 25.699 11.585 1.00 19.53 C ATOM 809 OG1 THR A 71 10.334 26.063 12.707 1.00 23.30 O ATOM 810 CG2 THR A 71 11.087 24.169 11.327 1.00 22.40 C ATOM 811 HA THR A 71 12.920 25.682 12.839 1.00 0.00 H ATOM 812 HB THR A 71 10.806 26.200 10.684 1.00 0.00 H ATOM 813 HG1 THR A 71 10.378 27.043 12.843 1.00 0.00 H ATOM 814 HG23 THR A 71 11.718 23.915 10.475 1.00 0.00 H ATOM 815 HG21 THR A 71 11.437 23.636 12.211 1.00 0.00 H ATOM 816 HG22 THR A 71 10.056 23.886 11.115 1.00 0.00 H ATOM 817 H THR A 71 12.260 28.157 11.236 1.00 0.00 H ATOM 818 N ALA A 72 14.547 24.908 11.125 1.00 16.50 N ATOM 819 CA ALA A 72 15.518 24.479 10.121 1.00 16.27 C ATOM 820 C ALA A 72 14.923 23.508 9.110 1.00 16.58 C ATOM 821 O ALA A 72 14.099 22.650 9.469 1.00 17.60 O ATOM 822 CB ALA A 72 16.735 23.841 10.765 1.00 16.56 C ATOM 823 HA ALA A 72 15.818 25.383 9.591 1.00 0.00 H ATOM 824 HB1 ALA A 72 17.215 24.563 11.425 1.00 0.00 H ATOM 825 HB2 ALA A 72 16.425 22.970 11.341 1.00 0.00 H ATOM 826 HB3 ALA A 72 17.436 23.534 9.989 1.00 0.00 H ATOM 827 H ALA A 72 14.666 24.616 12.116 1.00 0.00 H ATOM 828 N LEU A 73 15.344 23.631 7.849 1.00 16.72 N ATOM 829 CA LEU A 73 14.886 22.719 6.838 1.00 17.34 C ATOM 830 C LEU A 73 15.806 22.704 5.623 1.00 17.38 C ATOM 831 O LEU A 73 16.771 23.502 5.506 1.00 17.38 O ATOM 832 CB LEU A 73 13.446 23.053 6.379 1.00 18.74 C ATOM 833 CG LEU A 73 13.203 24.497 5.921 1.00 21.66 C ATOM 834 CD1 LEU A 73 13.975 24.872 4.689 1.00 21.86 C ATOM 835 CD2 LEU A 73 11.690 24.685 5.676 1.00 21.39 C ATOM 836 HA LEU A 73 14.895 21.730 7.297 1.00 0.00 H ATOM 837 HB2 LEU A 73 13.200 22.393 5.547 1.00 0.00 H ATOM 838 HB3 LEU A 73 12.774 22.850 7.213 1.00 0.00 H ATOM 839 HG LEU A 73 13.560 25.158 6.711 1.00 0.00 H ATOM 840 HD21 LEU A 73 11.359 23.989 4.905 1.00 0.00 H ATOM 841 HD22 LEU A 73 11.147 24.491 6.601 1.00 0.00 H ATOM 842 HD23 LEU A 73 11.500 25.708 5.349 1.00 0.00 H ATOM 843 HD11 LEU A 73 15.042 24.766 4.884 1.00 0.00 H ATOM 844 HD12 LEU A 73 13.687 24.216 3.868 1.00 0.00 H ATOM 845 HD13 LEU A 73 13.754 25.906 4.424 1.00 0.00 H ATOM 846 H LEU A 73 16.007 24.391 7.597 1.00 0.00 H ATOM 847 N GLY A 74 15.520 21.772 4.730 1.00 16.26 N ATOM 848 CA GLY A 74 16.251 21.703 3.459 1.00 15.90 C ATOM 849 C GLY A 74 15.519 20.839 2.468 1.00 15.94 C ATOM 850 O GLY A 74 14.715 19.984 2.839 1.00 15.65 O ATOM 851 HA3 GLY A 74 17.241 21.282 3.638 1.00 0.00 H ATOM 852 HA2 GLY A 74 16.353 22.708 3.050 1.00 0.00 H ATOM 853 H GLY A 74 14.769 21.081 4.930 1.00 0.00 H ATOM 854 N TRP A 75 15.772 21.050 1.185 1.00 15.03 N ATOM 855 CA TRP A 75 15.221 20.145 0.176 1.00 16.09 C ATOM 856 C TRP A 75 16.064 20.151 -1.082 1.00 16.04 C ATOM 857 O TRP A 75 16.938 21.009 -1.255 1.00 15.37 O ATOM 858 CB TRP A 75 13.762 20.500 -0.175 1.00 16.54 C ATOM 859 CG TRP A 75 13.600 21.855 -0.870 1.00 17.00 C ATOM 860 CD1 TRP A 75 13.675 22.101 -2.216 1.00 17.27 C ATOM 861 CD2 TRP A 75 13.291 23.113 -0.253 1.00 17.01 C ATOM 862 NE1 TRP A 75 13.453 23.443 -2.462 1.00 17.93 N ATOM 863 CE2 TRP A 75 13.214 24.078 -1.280 1.00 18.16 C ATOM 864 CE3 TRP A 75 13.079 23.523 1.072 1.00 18.73 C ATOM 865 CZ2 TRP A 75 12.957 25.435 -1.024 1.00 18.29 C ATOM 866 CZ3 TRP A 75 12.820 24.889 1.319 1.00 19.21 C ATOM 867 CH2 TRP A 75 12.769 25.812 0.266 1.00 20.76 C ATOM 868 HA TRP A 75 15.236 19.145 0.609 1.00 0.00 H ATOM 869 HB2 TRP A 75 13.370 19.727 -0.836 1.00 0.00 H ATOM 870 HB3 TRP A 75 13.182 20.516 0.747 1.00 0.00 H ATOM 871 HE1 TRP A 75 13.466 23.895 -3.398 1.00 0.00 H ATOM 872 HD1 TRP A 75 13.879 21.350 -2.979 1.00 0.00 H ATOM 873 HZ2 TRP A 75 12.910 26.162 -1.835 1.00 0.00 H ATOM 874 HH2 TRP A 75 12.573 26.861 0.489 1.00 0.00 H ATOM 875 HZ3 TRP A 75 12.658 25.230 2.342 1.00 0.00 H ATOM 876 HE3 TRP A 75 13.113 22.804 1.891 1.00 0.00 H ATOM 877 H TRP A 75 16.361 21.857 0.896 1.00 0.00 H ATOM 878 N THR A 76 15.805 19.161 -1.934 1.00 15.42 N ATOM 879 CA THR A 76 16.553 18.975 -3.160 1.00 15.32 C ATOM 880 C THR A 76 15.602 18.835 -4.323 1.00 15.85 C ATOM 881 O THR A 76 14.514 18.228 -4.219 1.00 16.05 O ATOM 882 CB THR A 76 17.388 17.671 -3.104 1.00 16.51 C ATOM 883 OG1 THR A 76 18.259 17.713 -1.966 1.00 17.57 O ATOM 884 CG2 THR A 76 18.255 17.547 -4.321 1.00 18.16 C ATOM 885 HA THR A 76 17.205 19.840 -3.280 1.00 0.00 H ATOM 886 HB THR A 76 16.697 16.830 -3.046 1.00 0.00 H ATOM 887 HG1 THR A 76 17.718 17.796 -1.141 1.00 0.00 H ATOM 888 HG23 THR A 76 17.627 17.512 -5.211 1.00 0.00 H ATOM 889 HG21 THR A 76 18.922 18.407 -4.379 1.00 0.00 H ATOM 890 HG22 THR A 76 18.844 16.632 -4.254 1.00 0.00 H ATOM 891 H THR A 76 15.037 18.496 -1.711 1.00 0.00 H ATOM 892 N VAL A 77 16.044 19.365 -5.466 1.00 15.33 N ATOM 893 CA VAL A 77 15.411 19.138 -6.751 1.00 15.75 C ATOM 894 C VAL A 77 16.500 18.707 -7.710 1.00 15.89 C ATOM 895 O VAL A 77 17.505 19.396 -7.836 1.00 17.42 O ATOM 896 CB VAL A 77 14.748 20.433 -7.324 1.00 15.58 C ATOM 897 CG1 VAL A 77 14.267 20.176 -8.763 1.00 17.58 C ATOM 898 CG2 VAL A 77 13.571 20.841 -6.479 1.00 17.74 C ATOM 899 HA VAL A 77 14.628 18.389 -6.629 1.00 0.00 H ATOM 900 HB VAL A 77 15.489 21.233 -7.316 1.00 0.00 H ATOM 901 HG11 VAL A 77 15.118 19.899 -9.385 1.00 0.00 H ATOM 902 HG12 VAL A 77 13.538 19.366 -8.762 1.00 0.00 H ATOM 903 HG13 VAL A 77 13.806 21.081 -9.158 1.00 0.00 H ATOM 904 HG21 VAL A 77 12.834 20.038 -6.473 1.00 0.00 H ATOM 905 HG22 VAL A 77 13.907 21.035 -5.460 1.00 0.00 H ATOM 906 HG23 VAL A 77 13.123 21.744 -6.894 1.00 0.00 H ATOM 907 H VAL A 77 16.887 19.973 -5.433 1.00 0.00 H ATOM 908 N ALA A 78 16.339 17.542 -8.356 1.00 16.06 N ATOM 909 CA ALA A 78 17.185 17.213 -9.498 1.00 16.33 C ATOM 910 C ALA A 78 16.435 17.672 -10.747 1.00 16.91 C ATOM 911 O ALA A 78 15.230 17.395 -10.923 1.00 17.57 O ATOM 912 CB ALA A 78 17.442 15.704 -9.564 1.00 16.69 C ATOM 913 HA ALA A 78 18.154 17.705 -9.414 1.00 0.00 H ATOM 914 HB1 ALA A 78 17.941 15.381 -8.650 1.00 0.00 H ATOM 915 HB2 ALA A 78 16.492 15.179 -9.665 1.00 0.00 H ATOM 916 HB3 ALA A 78 18.075 15.482 -10.423 1.00 0.00 H ATOM 917 H ALA A 78 15.609 16.872 -8.042 1.00 0.00 H ATOM 918 N TRP A 79 17.146 18.404 -11.609 1.00 17.42 N ATOM 919 CA TRP A 79 16.522 19.105 -12.733 1.00 17.22 C ATOM 920 C TRP A 79 16.341 18.222 -13.947 1.00 18.32 C ATOM 921 O TRP A 79 16.739 18.564 -15.075 1.00 18.96 O ATOM 922 CB TRP A 79 17.326 20.374 -13.052 1.00 16.69 C ATOM 923 CG TRP A 79 17.362 21.321 -11.908 1.00 16.80 C ATOM 924 CD1 TRP A 79 18.446 21.611 -11.112 1.00 16.48 C ATOM 925 CD2 TRP A 79 16.283 22.150 -11.441 1.00 17.11 C ATOM 926 NE1 TRP A 79 18.094 22.548 -10.150 1.00 16.14 N ATOM 927 CE2 TRP A 79 16.768 22.879 -10.323 1.00 15.75 C ATOM 928 CE3 TRP A 79 14.944 22.297 -11.814 1.00 17.42 C ATOM 929 CZ2 TRP A 79 15.977 23.804 -9.624 1.00 17.25 C ATOM 930 CZ3 TRP A 79 14.131 23.212 -11.097 1.00 18.26 C ATOM 931 CH2 TRP A 79 14.658 23.948 -10.022 1.00 16.20 C ATOM 932 HA TRP A 79 15.513 19.392 -12.438 1.00 0.00 H ATOM 933 HB2 TRP A 79 18.347 20.088 -13.303 1.00 0.00 H ATOM 934 HB3 TRP A 79 16.869 20.873 -13.906 1.00 0.00 H ATOM 935 HE1 TRP A 79 18.726 22.935 -9.420 1.00 0.00 H ATOM 936 HD1 TRP A 79 19.437 21.170 -11.221 1.00 0.00 H ATOM 937 HZ2 TRP A 79 16.385 24.387 -8.799 1.00 0.00 H ATOM 938 HH2 TRP A 79 14.014 24.648 -9.489 1.00 0.00 H ATOM 939 HZ3 TRP A 79 13.088 23.346 -11.383 1.00 0.00 H ATOM 940 HE3 TRP A 79 14.532 21.719 -12.641 1.00 0.00 H ATOM 941 H TRP A 79 18.175 18.478 -11.478 1.00 0.00 H ATOM 942 N LYS A 80 15.719 17.066 -13.697 1.00 18.02 N ATOM 943 CA LYS A 80 15.290 16.164 -14.734 1.00 19.66 C ATOM 944 C LYS A 80 13.792 15.911 -14.546 1.00 20.08 C ATOM 945 O LYS A 80 13.337 15.615 -13.419 1.00 19.70 O ATOM 946 CB LYS A 80 16.043 14.847 -14.619 1.00 21.72 C ATOM 947 CG LYS A 80 15.471 13.730 -15.547 1.00 25.87 C ATOM 948 CD LYS A 80 16.233 12.435 -15.323 1.00 27.54 C ATOM 949 CE LYS A 80 15.682 11.291 -16.138 1.00 28.98 C ATOM 950 NZ LYS A 80 14.224 11.089 -15.925 1.00 32.36 N ATOM 951 HA LYS A 80 15.488 16.596 -15.715 1.00 0.00 H ATOM 952 HB2 LYS A 80 17.086 15.019 -14.885 1.00 0.00 H ATOM 953 HB3 LYS A 80 15.985 14.503 -13.586 1.00 0.00 H ATOM 954 HG2 LYS A 80 14.417 13.574 -15.319 1.00 0.00 H ATOM 955 HG3 LYS A 80 15.575 14.036 -16.588 1.00 0.00 H ATOM 956 HD2 LYS A 80 17.276 12.591 -15.599 1.00 0.00 H ATOM 957 HD3 LYS A 80 16.173 12.172 -14.267 1.00 0.00 H ATOM 958 HE2 LYS A 80 16.206 10.377 -15.857 1.00 0.00 H ATOM 959 HE3 LYS A 80 15.856 11.498 -17.194 1.00 0.00 H ATOM 960 HZ1 LYS A 80 14.047 10.882 -14.921 1.00 0.00 H ATOM 961 HZ2 LYS A 80 13.712 11.952 -16.198 1.00 0.00 H ATOM 962 HZ3 LYS A 80 13.897 10.292 -16.508 1.00 0.00 H ATOM 963 H LYS A 80 15.536 16.806 -12.707 1.00 0.00 H ATOM 964 N ASN A 81 13.048 16.050 -15.635 1.00 19.84 N ATOM 965 CA ASN A 81 11.642 15.636 -15.636 1.00 20.52 C ATOM 966 C ASN A 81 11.312 15.103 -17.022 1.00 23.16 C ATOM 967 O ASN A 81 12.219 14.728 -17.769 1.00 23.17 O ATOM 968 CB ASN A 81 10.698 16.774 -15.173 1.00 20.42 C ATOM 969 CG ASN A 81 10.670 17.937 -16.131 1.00 22.24 C ATOM 970 OD1 ASN A 81 11.240 17.867 -17.227 1.00 21.78 O ATOM 971 ND2 ASN A 81 9.972 19.017 -15.745 1.00 20.48 N ATOM 972 HA ASN A 81 11.483 14.841 -14.907 1.00 0.00 H ATOM 973 HB2 ASN A 81 9.688 16.374 -15.082 1.00 0.00 H ATOM 974 HB3 ASN A 81 11.035 17.132 -14.200 1.00 0.00 H ATOM 975 HD22 ASN A 81 9.509 19.031 -14.814 1.00 0.00 H ATOM 976 HD21 ASN A 81 9.894 19.839 -16.377 1.00 0.00 H ATOM 977 H ASN A 81 13.466 16.456 -16.496 1.00 0.00 H ATOM 978 N ASN A 82 10.034 15.028 -17.353 1.00 26.08 N ATOM 979 CA ASN A 82 9.694 14.454 -18.658 1.00 30.30 C ATOM 980 C ASN A 82 10.070 15.338 -19.831 1.00 30.74 C ATOM 981 O ASN A 82 10.140 14.874 -20.991 1.00 32.38 O ATOM 982 CB ASN A 82 8.213 14.091 -18.712 1.00 35.08 C ATOM 983 CG ASN A 82 7.892 12.845 -17.900 1.00 37.12 C ATOM 984 OD1 ASN A 82 8.785 12.074 -17.528 1.00 38.52 O ATOM 985 ND2 ASN A 82 6.614 12.643 -17.620 1.00 38.60 N ATOM 986 HA ASN A 82 10.296 13.551 -18.758 1.00 0.00 H ATOM 987 HB2 ASN A 82 7.633 14.925 -18.318 1.00 0.00 H ATOM 988 HB3 ASN A 82 7.933 13.914 -19.751 1.00 0.00 H ATOM 989 HD22 ASN A 82 5.896 13.317 -17.953 1.00 0.00 H ATOM 990 HD21 ASN A 82 6.328 11.810 -17.067 1.00 0.00 H ATOM 991 H ASN A 82 9.293 15.366 -16.707 1.00 0.00 H ATOM 992 N TYR A 83 10.305 16.613 -19.561 1.00 29.09 N ATOM 993 CA TYR A 83 10.564 17.583 -20.624 1.00 29.87 C ATOM 994 C TYR A 83 12.040 17.839 -20.889 1.00 28.01 C ATOM 995 O TYR A 83 12.445 18.033 -22.032 1.00 28.34 O ATOM 996 CB TYR A 83 9.929 18.932 -20.276 1.00 32.02 C ATOM 997 CG TYR A 83 8.428 18.901 -20.185 1.00 39.23 C ATOM 998 CD1 TYR A 83 7.645 18.775 -21.322 1.00 36.10 C ATOM 999 CD2 TYR A 83 7.793 19.009 -18.964 1.00 34.42 C ATOM 1000 CE1 TYR A 83 6.263 18.742 -21.236 1.00 41.95 C ATOM 1001 CE2 TYR A 83 6.425 18.981 -18.860 1.00 39.93 C ATOM 1002 CZ TYR A 83 5.663 18.840 -19.994 1.00 37.06 C ATOM 1003 OH TYR A 83 4.285 18.817 -19.898 1.00 42.65 O ATOM 1004 HA TYR A 83 10.129 17.140 -21.520 1.00 0.00 H ATOM 1005 HB3 TYR A 83 10.210 19.651 -21.045 1.00 0.00 H ATOM 1006 HB2 TYR A 83 10.324 19.258 -19.314 1.00 0.00 H ATOM 1007 HD2 TYR A 83 8.393 19.119 -18.061 1.00 0.00 H ATOM 1008 HE2 TYR A 83 5.947 19.070 -17.885 1.00 0.00 H ATOM 1009 HE1 TYR A 83 5.656 18.640 -22.136 1.00 0.00 H ATOM 1010 HD1 TYR A 83 8.124 18.701 -22.298 1.00 0.00 H ATOM 1011 HH TYR A 83 3.894 18.710 -20.801 1.00 0.00 H ATOM 1012 H TYR A 83 10.305 16.931 -18.571 1.00 0.00 H ATOM 1013 N ARG A 84 12.836 17.881 -19.824 1.00 25.45 N ATOM 1014 CA ARG A 84 14.224 18.285 -19.956 1.00 25.50 C ATOM 1015 C ARG A 84 15.073 17.617 -18.917 1.00 23.15 C ATOM 1016 O ARG A 84 14.555 17.142 -17.891 1.00 22.20 O ATOM 1017 CB ARG A 84 14.388 19.788 -19.728 1.00 27.73 C ATOM 1018 CG ARG A 84 13.823 20.662 -20.811 1.00 33.46 C ATOM 1019 CD ARG A 84 14.300 22.078 -20.613 1.00 30.16 C ATOM 1020 NE ARG A 84 13.421 23.031 -21.291 1.00 33.46 N ATOM 1021 CZ ARG A 84 13.685 24.330 -21.384 1.00 30.34 C ATOM 1022 NH1 ARG A 84 14.831 24.811 -20.907 1.00 32.80 N ATOM 1023 NH2 ARG A 84 12.825 25.142 -21.994 1.00 34.79 N ATOM 1024 HA ARG A 84 14.529 18.005 -20.964 1.00 0.00 H ATOM 1025 HB2 ARG A 84 13.890 20.044 -18.793 1.00 0.00 H ATOM 1026 HB3 ARG A 84 15.453 20.003 -19.642 1.00 0.00 H ATOM 1027 HG2 ARG A 84 14.156 20.298 -21.783 1.00 0.00 H ATOM 1028 HG3 ARG A 84 12.734 20.636 -20.769 1.00 0.00 H ATOM 1029 HD2 ARG A 84 15.308 22.174 -21.017 1.00 0.00 H ATOM 1030 HD3 ARG A 84 14.314 22.303 -19.547 1.00 0.00 H ATOM 1031 HE ARG A 84 12.545 22.673 -21.722 1.00 0.00 H ATOM 1032 HH12 ARG A 84 15.039 25.828 -20.979 1.00 0.00 H ATOM 1033 HH11 ARG A 84 15.519 24.170 -20.462 1.00 0.00 H ATOM 1034 HH22 ARG A 84 13.032 26.159 -22.067 1.00 0.00 H ATOM 1035 HH21 ARG A 84 11.946 24.760 -22.398 1.00 0.00 H ATOM 1036 H ARG A 84 12.461 17.622 -18.889 1.00 0.00 H ATOM 1037 N ASN A 85 16.377 17.618 -19.183 1.00 22.49 N ATOM 1038 CA ASN A 85 17.343 17.182 -18.183 1.00 21.85 C ATOM 1039 C ASN A 85 18.552 18.105 -18.270 1.00 21.41 C ATOM 1040 O ASN A 85 19.285 18.099 -19.270 1.00 22.50 O ATOM 1041 CB ASN A 85 17.756 15.729 -18.403 1.00 22.29 C ATOM 1042 CG ASN A 85 18.597 15.195 -17.245 1.00 24.96 C ATOM 1043 OD1 ASN A 85 18.993 15.955 -16.373 1.00 21.43 O ATOM 1044 ND2 ASN A 85 18.851 13.885 -17.233 1.00 22.76 N ATOM 1045 HA ASN A 85 16.895 17.234 -17.191 1.00 0.00 H ATOM 1046 HB2 ASN A 85 16.859 15.118 -18.499 1.00 0.00 H ATOM 1047 HB3 ASN A 85 18.339 15.663 -19.322 1.00 0.00 H ATOM 1048 HD22 ASN A 85 18.492 13.279 -17.998 1.00 0.00 H ATOM 1049 HD21 ASN A 85 19.408 13.470 -16.459 1.00 0.00 H ATOM 1050 H ASN A 85 16.711 17.934 -20.116 1.00 0.00 H ATOM 1051 N ALA A 86 18.727 18.938 -17.258 1.00 19.81 N ATOM 1052 CA ALA A 86 19.836 19.888 -17.230 1.00 19.41 C ATOM 1053 C ALA A 86 21.120 19.269 -16.644 1.00 19.97 C ATOM 1054 O ALA A 86 22.135 19.936 -16.567 1.00 20.30 O ATOM 1055 CB ALA A 86 19.443 21.113 -16.431 1.00 20.23 C ATOM 1056 HA ALA A 86 20.051 20.170 -18.261 1.00 0.00 H ATOM 1057 HB1 ALA A 86 18.576 21.584 -16.894 1.00 0.00 H ATOM 1058 HB2 ALA A 86 19.196 20.816 -15.412 1.00 0.00 H ATOM 1059 HB3 ALA A 86 20.275 21.817 -16.415 1.00 0.00 H ATOM 1060 H ALA A 86 18.058 18.916 -16.462 1.00 0.00 H ATOM 1061 N HIS A 87 21.044 18.010 -16.205 1.00 19.21 N ATOM 1062 CA HIS A 87 22.177 17.330 -15.557 1.00 19.78 C ATOM 1063 C HIS A 87 22.712 18.141 -14.380 1.00 19.69 C ATOM 1064 O HIS A 87 23.919 18.394 -14.270 1.00 21.71 O ATOM 1065 CB HIS A 87 23.281 17.065 -16.565 1.00 20.58 C ATOM 1066 CG HIS A 87 22.823 16.216 -17.697 1.00 21.08 C ATOM 1067 ND1 HIS A 87 22.238 14.981 -17.500 1.00 20.67 N ATOM 1068 CD2 HIS A 87 22.788 16.444 -19.034 1.00 22.01 C ATOM 1069 CE1 HIS A 87 21.912 14.459 -18.669 1.00 22.15 C ATOM 1070 NE2 HIS A 87 22.226 15.333 -19.610 1.00 23.41 N ATOM 1071 HA HIS A 87 21.819 16.376 -15.169 1.00 0.00 H ATOM 1072 HB2 HIS A 87 23.630 18.019 -16.961 1.00 0.00 H ATOM 1073 HB3 HIS A 87 24.104 16.560 -16.059 1.00 0.00 H ATOM 1074 HD2 HIS A 87 23.139 17.337 -19.551 1.00 0.00 H ATOM 1075 HE1 HIS A 87 21.463 13.479 -18.830 1.00 0.00 H ATOM 1076 H HIS A 87 20.151 17.491 -16.326 1.00 0.00 H ATOM 1077 N SER A 88 21.797 18.583 -13.526 1.00 18.08 N ATOM 1078 CA SER A 88 22.143 19.415 -12.373 1.00 16.70 C ATOM 1079 C SER A 88 21.112 19.168 -11.269 1.00 16.30 C ATOM 1080 O SER A 88 20.041 18.562 -11.511 1.00 16.96 O ATOM 1081 CB SER A 88 22.108 20.897 -12.763 1.00 17.83 C ATOM 1082 OG SER A 88 20.808 21.220 -13.202 1.00 18.00 O ATOM 1083 HA SER A 88 23.145 19.161 -12.028 1.00 0.00 H ATOM 1084 HB2 SER A 88 22.823 21.082 -13.565 1.00 0.00 H ATOM 1085 HB3 SER A 88 22.366 21.510 -11.899 1.00 0.00 H ATOM 1086 HG SER A 88 20.775 22.176 -13.456 1.00 0.00 H ATOM 1087 H SER A 88 20.800 18.329 -13.682 1.00 0.00 H ATOM 1088 N ALA A 89 21.417 19.633 -10.053 1.00 16.06 N ATOM 1089 CA ALA A 89 20.504 19.436 -8.909 1.00 16.65 C ATOM 1090 C ALA A 89 20.762 20.593 -7.973 1.00 16.46 C ATOM 1091 O ALA A 89 21.920 21.003 -7.832 1.00 16.82 O ATOM 1092 CB ALA A 89 20.803 18.122 -8.175 1.00 16.41 C ATOM 1093 HA ALA A 89 19.469 19.391 -9.249 1.00 0.00 H ATOM 1094 HB1 ALA A 89 20.681 17.286 -8.864 1.00 0.00 H ATOM 1095 HB2 ALA A 89 21.827 18.140 -7.802 1.00 0.00 H ATOM 1096 HB3 ALA A 89 20.113 18.009 -7.339 1.00 0.00 H ATOM 1097 H ALA A 89 22.313 20.142 -9.910 1.00 0.00 H ATOM 1098 N SER A 90 19.711 21.104 -7.340 1.00 16.23 N ATOM 1099 CA SER A 90 19.851 22.191 -6.382 1.00 14.72 C ATOM 1100 C SER A 90 19.424 21.689 -5.016 1.00 14.91 C ATOM 1101 O SER A 90 18.469 20.889 -4.909 1.00 15.71 O ATOM 1102 CB SER A 90 18.922 23.348 -6.802 1.00 14.90 C ATOM 1103 OG SER A 90 19.362 23.918 -8.043 1.00 16.24 O ATOM 1104 HA SER A 90 20.884 22.536 -6.351 1.00 0.00 H ATOM 1105 HB2 SER A 90 18.934 24.117 -6.029 1.00 0.00 H ATOM 1106 HB3 SER A 90 17.907 22.969 -6.920 1.00 0.00 H ATOM 1107 HG SER A 90 20.283 24.266 -7.937 1.00 0.00 H ATOM 1108 H SER A 90 18.765 20.718 -7.534 1.00 0.00 H ATOM 1109 N THR A 91 20.090 22.191 -3.981 1.00 14.90 N ATOM 1110 CA THR A 91 19.684 21.915 -2.587 1.00 15.13 C ATOM 1111 C THR A 91 19.580 23.240 -1.871 1.00 15.75 C ATOM 1112 O THR A 91 20.541 24.027 -1.851 1.00 16.05 O ATOM 1113 CB THR A 91 20.679 21.059 -1.794 1.00 16.07 C ATOM 1114 OG1 THR A 91 21.961 21.716 -1.751 1.00 19.11 O ATOM 1115 CG2 THR A 91 20.846 19.719 -2.444 1.00 19.31 C ATOM 1116 HA THR A 91 18.747 21.360 -2.640 1.00 0.00 H ATOM 1117 HB THR A 91 20.293 20.927 -0.783 1.00 0.00 H ATOM 1118 HG1 THR A 91 21.864 22.598 -1.312 1.00 0.00 H ATOM 1119 HG23 THR A 91 19.882 19.212 -2.482 1.00 0.00 H ATOM 1120 HG21 THR A 91 21.228 19.853 -3.456 1.00 0.00 H ATOM 1121 HG22 THR A 91 21.550 19.121 -1.865 1.00 0.00 H ATOM 1122 H THR A 91 20.919 22.794 -4.157 1.00 0.00 H ATOM 1123 N TRP A 92 18.413 23.487 -1.289 1.00 14.71 N ATOM 1124 CA TRP A 92 18.190 24.704 -0.532 1.00 14.01 C ATOM 1125 C TRP A 92 18.280 24.355 0.929 1.00 15.14 C ATOM 1126 O TRP A 92 17.654 23.370 1.369 1.00 16.03 O ATOM 1127 CB TRP A 92 16.753 25.182 -0.770 1.00 14.39 C ATOM 1128 CG TRP A 92 16.434 25.802 -2.157 1.00 14.98 C ATOM 1129 CD1 TRP A 92 16.303 27.133 -2.435 1.00 15.03 C ATOM 1130 CD2 TRP A 92 16.183 25.105 -3.382 1.00 15.04 C ATOM 1131 NE1 TRP A 92 15.972 27.311 -3.780 1.00 16.07 N ATOM 1132 CE2 TRP A 92 15.874 26.072 -4.366 1.00 15.17 C ATOM 1133 CE3 TRP A 92 16.123 23.737 -3.728 1.00 15.00 C ATOM 1134 CZ2 TRP A 92 15.528 25.725 -5.680 1.00 15.40 C ATOM 1135 CZ3 TRP A 92 15.818 23.394 -5.038 1.00 16.02 C ATOM 1136 CH2 TRP A 92 15.505 24.384 -6.001 1.00 16.16 C ATOM 1137 HA TRP A 92 18.914 25.464 -0.826 1.00 0.00 H ATOM 1138 HB2 TRP A 92 16.095 24.324 -0.634 1.00 0.00 H ATOM 1139 HB3 TRP A 92 16.528 25.934 -0.014 1.00 0.00 H ATOM 1140 HE1 TRP A 92 15.825 28.224 -4.256 1.00 0.00 H ATOM 1141 HD1 TRP A 92 16.437 27.938 -1.713 1.00 0.00 H ATOM 1142 HZ2 TRP A 92 15.286 26.487 -6.421 1.00 0.00 H ATOM 1143 HH2 TRP A 92 15.241 24.081 -7.014 1.00 0.00 H ATOM 1144 HZ3 TRP A 92 15.819 22.344 -5.331 1.00 0.00 H ATOM 1145 HE3 TRP A 92 16.312 22.966 -2.981 1.00 0.00 H ATOM 1146 H TRP A 92 17.643 22.794 -1.378 1.00 0.00 H ATOM 1147 N SER A 93 18.974 25.192 1.684 1.00 14.51 N ATOM 1148 CA SER A 93 19.119 25.016 3.145 1.00 15.09 C ATOM 1149 C SER A 93 18.715 26.316 3.803 1.00 16.25 C ATOM 1150 O SER A 93 19.205 27.395 3.419 1.00 16.44 O ATOM 1151 CB SER A 93 20.598 24.730 3.457 1.00 15.76 C ATOM 1152 OG SER A 93 20.790 24.525 4.862 1.00 17.13 O ATOM 1153 HA SER A 93 18.501 24.194 3.508 1.00 0.00 H ATOM 1154 HB2 SER A 93 21.202 25.577 3.133 1.00 0.00 H ATOM 1155 HB3 SER A 93 20.911 23.835 2.919 1.00 0.00 H ATOM 1156 HG SER A 93 21.747 24.343 5.040 1.00 0.00 H ATOM 1157 H SER A 93 19.436 26.006 1.231 1.00 0.00 H ATOM 1158 N GLY A 94 17.846 26.261 4.815 1.00 15.92 N ATOM 1159 CA GLY A 94 17.386 27.528 5.378 1.00 15.88 C ATOM 1160 C GLY A 94 16.471 27.334 6.555 1.00 16.80 C ATOM 1161 O GLY A 94 16.487 26.291 7.200 1.00 17.11 O ATOM 1162 HA3 GLY A 94 16.851 28.081 4.606 1.00 0.00 H ATOM 1163 HA2 GLY A 94 18.254 28.104 5.700 1.00 0.00 H ATOM 1164 H GLY A 94 17.509 25.351 5.188 1.00 0.00 H ATOM 1165 N GLN A 95 15.683 28.364 6.820 1.00 16.81 N ATOM 1166 CA GLN A 95 14.727 28.222 7.875 1.00 18.59 C ATOM 1167 C GLN A 95 13.404 28.851 7.545 1.00 18.53 C ATOM 1168 O GLN A 95 13.346 29.849 6.843 1.00 19.57 O ATOM 1169 CB GLN A 95 15.301 28.736 9.186 1.00 21.08 C ATOM 1170 CG GLN A 95 15.822 30.111 9.242 1.00 21.98 C ATOM 1171 CD GLN A 95 16.548 30.389 10.584 1.00 23.95 C ATOM 1172 OE1 GLN A 95 16.083 30.010 11.657 1.00 21.21 O ATOM 1173 NE2 GLN A 95 17.676 31.112 10.509 1.00 21.24 N ATOM 1174 HA GLN A 95 14.522 27.158 7.993 1.00 0.00 H ATOM 1175 HB2 GLN A 95 14.510 28.662 9.933 1.00 0.00 H ATOM 1176 HB3 GLN A 95 16.121 28.071 9.459 1.00 0.00 H ATOM 1177 HG2 GLN A 95 16.525 30.258 8.422 1.00 0.00 H ATOM 1178 HG3 GLN A 95 14.992 30.809 9.137 1.00 0.00 H ATOM 1179 HE22 GLN A 95 18.039 31.415 9.583 1.00 0.00 H ATOM 1180 HE21 GLN A 95 18.187 31.370 11.377 1.00 0.00 H ATOM 1181 H GLN A 95 15.756 29.249 6.278 1.00 0.00 H ATOM 1182 N TYR A 96 12.348 28.222 8.054 1.00 17.38 N ATOM 1183 CA TYR A 96 11.006 28.754 7.972 1.00 17.77 C ATOM 1184 C TYR A 96 10.778 29.675 9.154 1.00 18.71 C ATOM 1185 O TYR A 96 11.036 29.309 10.313 1.00 19.03 O ATOM 1186 CB TYR A 96 10.029 27.572 7.994 1.00 17.89 C ATOM 1187 CG TYR A 96 8.632 27.930 8.418 1.00 19.24 C ATOM 1188 CD1 TYR A 96 7.778 28.584 7.556 1.00 18.82 C ATOM 1189 CD2 TYR A 96 8.198 27.651 9.703 1.00 19.20 C ATOM 1190 CE1 TYR A 96 6.496 28.921 7.933 1.00 19.47 C ATOM 1191 CE2 TYR A 96 6.904 27.984 10.106 1.00 21.10 C ATOM 1192 CZ TYR A 96 6.081 28.641 9.227 1.00 19.90 C ATOM 1193 OH TYR A 96 4.809 28.964 9.639 1.00 22.07 O ATOM 1194 HA TYR A 96 10.855 29.325 7.056 1.00 0.00 H ATOM 1195 HB3 TYR A 96 10.414 26.823 8.686 1.00 0.00 H ATOM 1196 HB2 TYR A 96 9.983 27.148 6.991 1.00 0.00 H ATOM 1197 HD2 TYR A 96 8.874 27.166 10.407 1.00 0.00 H ATOM 1198 HE2 TYR A 96 6.552 27.726 11.105 1.00 0.00 H ATOM 1199 HE1 TYR A 96 5.819 29.400 7.226 1.00 0.00 H ATOM 1200 HD1 TYR A 96 8.124 28.840 6.555 1.00 0.00 H ATOM 1201 HH TYR A 96 4.860 29.556 10.431 1.00 0.00 H ATOM 1202 H TYR A 96 12.494 27.309 8.531 1.00 0.00 H ATOM 1203 N VAL A 97 10.263 30.867 8.852 1.00 19.36 N ATOM 1204 CA VAL A 97 9.978 31.884 9.863 1.00 20.79 C ATOM 1205 C VAL A 97 8.503 32.186 9.738 1.00 22.42 C ATOM 1206 O VAL A 97 8.034 32.712 8.721 1.00 22.67 O ATOM 1207 CB VAL A 97 10.802 33.152 9.610 1.00 21.29 C ATOM 1208 CG1 VAL A 97 10.471 34.192 10.661 1.00 27.54 C ATOM 1209 CG2 VAL A 97 12.281 32.815 9.620 1.00 26.61 C ATOM 1210 HA VAL A 97 10.237 31.532 10.861 1.00 0.00 H ATOM 1211 HB VAL A 97 10.554 33.562 8.631 1.00 0.00 H ATOM 1212 HG11 VAL A 97 9.409 34.433 10.610 1.00 0.00 H ATOM 1213 HG12 VAL A 97 10.708 33.797 11.649 1.00 0.00 H ATOM 1214 HG13 VAL A 97 11.059 35.092 10.478 1.00 0.00 H ATOM 1215 HG21 VAL A 97 12.551 32.397 10.590 1.00 0.00 H ATOM 1216 HG22 VAL A 97 12.491 32.086 8.838 1.00 0.00 H ATOM 1217 HG23 VAL A 97 12.860 33.721 9.440 1.00 0.00 H ATOM 1218 H VAL A 97 10.055 31.082 7.856 1.00 0.00 H ATOM 1219 N GLY A 98 7.761 31.825 10.770 1.00 22.48 N ATOM 1220 CA GLY A 98 6.297 31.884 10.700 1.00 23.66 C ATOM 1221 C GLY A 98 5.778 33.271 10.995 1.00 25.64 C ATOM 1222 O GLY A 98 6.544 34.201 11.263 1.00 26.77 O ATOM 1223 HA3 GLY A 98 5.880 31.188 11.428 1.00 0.00 H ATOM 1224 HA2 GLY A 98 5.979 31.593 9.699 1.00 0.00 H ATOM 1225 H GLY A 98 8.221 31.495 11.643 1.00 0.00 H ATOM 1226 N GLY A 99 4.460 33.408 10.945 1.00 27.08 N ATOM 1227 CA GLY A 99 3.821 34.685 11.262 1.00 28.38 C ATOM 1228 C GLY A 99 3.110 35.306 10.078 1.00 28.07 C ATOM 1229 O GLY A 99 3.018 34.708 9.014 1.00 27.66 O ATOM 1230 HA3 GLY A 99 4.586 35.379 11.610 1.00 0.00 H ATOM 1231 HA2 GLY A 99 3.093 34.521 12.057 1.00 0.00 H ATOM 1232 H GLY A 99 3.871 32.594 10.676 1.00 0.00 H ATOM 1233 N ALA A 100 2.596 36.516 10.268 1.00 29.00 N ATOM 1234 CA ALA A 100 1.824 37.187 9.229 1.00 29.93 C ATOM 1235 C ALA A 100 2.611 37.458 7.961 1.00 30.10 C ATOM 1236 O ALA A 100 2.029 37.539 6.867 1.00 31.36 O ATOM 1237 CB ALA A 100 1.259 38.479 9.768 1.00 30.80 C ATOM 1238 HA ALA A 100 1.022 36.504 8.951 1.00 0.00 H ATOM 1239 HB1 ALA A 100 0.611 38.264 10.618 1.00 0.00 H ATOM 1240 HB2 ALA A 100 2.076 39.126 10.087 1.00 0.00 H ATOM 1241 HB3 ALA A 100 0.683 38.976 8.987 1.00 0.00 H ATOM 1242 H ALA A 100 2.748 36.996 11.178 1.00 0.00 H ATOM 1243 N GLU A 101 3.926 37.623 8.101 1.00 28.67 N ATOM 1244 CA GLU A 101 4.803 37.813 6.964 1.00 27.62 C ATOM 1245 C GLU A 101 5.750 36.629 6.880 1.00 25.65 C ATOM 1246 O GLU A 101 6.970 36.804 6.952 1.00 27.04 O ATOM 1247 CB GLU A 101 5.629 39.077 7.164 1.00 29.13 C ATOM 1248 CG GLU A 101 4.814 40.311 7.449 1.00 40.04 C ATOM 1249 CD GLU A 101 4.239 40.899 6.194 1.00 31.38 C ATOM 1250 OE1 GLU A 101 4.491 42.096 5.928 1.00 41.02 O ATOM 1251 OE2 GLU A 101 3.536 40.168 5.466 1.00 40.38 O ATOM 1252 HA GLU A 101 4.210 37.899 6.053 1.00 0.00 H ATOM 1253 HB2 GLU A 101 6.306 38.914 8.002 1.00 0.00 H ATOM 1254 HB3 GLU A 101 6.210 39.253 6.258 1.00 0.00 H ATOM 1255 HG2 GLU A 101 3.998 40.048 8.122 1.00 0.00 H ATOM 1256 HG3 GLU A 101 5.453 41.054 7.927 1.00 0.00 H ATOM 1257 H GLU A 101 4.335 37.615 9.057 1.00 0.00 H ATOM 1258 N ALA A 102 5.197 35.433 6.741 1.00 21.89 N ATOM 1259 CA ALA A 102 6.019 34.236 6.796 1.00 20.84 C ATOM 1260 C ALA A 102 7.033 34.180 5.674 1.00 20.38 C ATOM 1261 O ALA A 102 6.793 34.655 4.558 1.00 20.28 O ATOM 1262 CB ALA A 102 5.147 33.011 6.764 1.00 21.86 C ATOM 1263 HA ALA A 102 6.575 34.268 7.733 1.00 0.00 H ATOM 1264 HB1 ALA A 102 4.473 33.024 7.621 1.00 0.00 H ATOM 1265 HB2 ALA A 102 4.565 33.005 5.842 1.00 0.00 H ATOM 1266 HB3 ALA A 102 5.773 32.120 6.806 1.00 0.00 H ATOM 1267 H ALA A 102 4.171 35.351 6.592 1.00 0.00 H ATOM 1268 N ARG A 103 8.176 33.557 5.959 1.00 19.48 N ATOM 1269 CA ARG A 103 9.246 33.438 4.977 1.00 19.84 C ATOM 1270 C ARG A 103 9.893 32.084 5.104 1.00 19.49 C ATOM 1271 O ARG A 103 9.932 31.527 6.204 1.00 20.38 O ATOM 1272 CB ARG A 103 10.333 34.469 5.279 1.00 21.77 C ATOM 1273 CG ARG A 103 9.901 35.926 5.068 1.00 24.88 C ATOM 1274 CD ARG A 103 9.807 36.264 3.600 1.00 25.85 C ATOM 1275 NE ARG A 103 9.522 37.700 3.431 1.00 27.13 N ATOM 1276 CZ ARG A 103 8.309 38.238 3.476 1.00 29.02 C ATOM 1277 NH1 ARG A 103 7.222 37.486 3.700 1.00 28.09 N ATOM 1278 NH2 ARG A 103 8.180 39.553 3.309 1.00 30.30 N ATOM 1279 HA ARG A 103 8.823 33.586 3.983 1.00 0.00 H ATOM 1280 HB2 ARG A 103 10.636 34.350 6.319 1.00 0.00 H ATOM 1281 HB3 ARG A 103 11.184 34.268 4.628 1.00 0.00 H ATOM 1282 HG2 ARG A 103 8.926 36.078 5.531 1.00 0.00 H ATOM 1283 HG3 ARG A 103 10.631 36.585 5.538 1.00 0.00 H ATOM 1284 HD2 ARG A 103 9.006 35.681 3.145 1.00 0.00 H ATOM 1285 HD3 ARG A 103 10.752 36.023 3.113 1.00 0.00 H ATOM 1286 HE ARG A 103 10.327 38.337 3.265 1.00 0.00 H ATOM 1287 HH12 ARG A 103 6.281 37.928 3.731 1.00 0.00 H ATOM 1288 HH11 ARG A 103 7.320 36.460 3.843 1.00 0.00 H ATOM 1289 HH22 ARG A 103 7.237 39.991 3.341 1.00 0.00 H ATOM 1290 HH21 ARG A 103 9.022 40.142 3.146 1.00 0.00 H ATOM 1291 H ARG A 103 8.308 33.146 6.905 1.00 0.00 H ATOM 1292 N ILE A 104 10.405 31.566 3.990 1.00 17.35 N ATOM 1293 CA ILE A 104 11.462 30.545 4.078 1.00 16.80 C ATOM 1294 C ILE A 104 12.725 31.212 3.511 1.00 17.69 C ATOM 1295 O ILE A 104 12.790 31.543 2.317 1.00 17.81 O ATOM 1296 CB ILE A 104 11.124 29.266 3.279 1.00 16.94 C ATOM 1297 CG1 ILE A 104 9.787 28.671 3.741 1.00 20.93 C ATOM 1298 CG2 ILE A 104 12.218 28.207 3.525 1.00 19.82 C ATOM 1299 CD1 ILE A 104 9.416 27.382 2.942 1.00 20.16 C ATOM 1300 HA ILE A 104 11.587 30.218 5.110 1.00 0.00 H ATOM 1301 HB ILE A 104 11.063 29.532 2.224 1.00 0.00 H ATOM 1302 HG12 ILE A 104 9.859 28.421 4.800 1.00 0.00 H ATOM 1303 HG13 ILE A 104 9.002 29.413 3.597 1.00 0.00 H ATOM 1304 HD11 ILE A 104 9.335 27.624 1.882 1.00 0.00 H ATOM 1305 HD12 ILE A 104 10.192 26.631 3.086 1.00 0.00 H ATOM 1306 HD13 ILE A 104 8.463 26.995 3.302 1.00 0.00 H ATOM 1307 HG21 ILE A 104 13.181 28.599 3.198 1.00 0.00 H ATOM 1308 HG22 ILE A 104 12.262 27.972 4.589 1.00 0.00 H ATOM 1309 HG23 ILE A 104 11.981 27.304 2.962 1.00 0.00 H ATOM 1310 H ILE A 104 10.060 31.881 3.061 1.00 0.00 H ATOM 1311 N ASN A 105 13.720 31.430 4.364 1.00 17.91 N ATOM 1312 CA ASN A 105 14.938 32.133 3.932 1.00 16.94 C ATOM 1313 C ASN A 105 15.987 31.065 3.698 1.00 17.05 C ATOM 1314 O ASN A 105 16.303 30.320 4.612 1.00 18.52 O ATOM 1315 CB ASN A 105 15.396 33.071 5.056 1.00 18.90 C ATOM 1316 CG ASN A 105 14.390 34.181 5.318 1.00 21.79 C ATOM 1317 OD1 ASN A 105 14.071 34.497 6.475 1.00 23.01 O ATOM 1318 ND2 ASN A 105 13.898 34.773 4.256 1.00 20.15 N ATOM 1319 HA ASN A 105 14.770 32.723 3.031 1.00 0.00 H ATOM 1320 HB2 ASN A 105 15.525 32.490 5.969 1.00 0.00 H ATOM 1321 HB3 ASN A 105 16.349 33.519 4.774 1.00 0.00 H ATOM 1322 HD22 ASN A 105 14.197 34.471 3.307 1.00 0.00 H ATOM 1323 HD21 ASN A 105 13.208 35.544 4.363 1.00 0.00 H ATOM 1324 H ASN A 105 13.637 31.100 5.347 1.00 0.00 H ATOM 1325 N THR A 106 16.506 30.991 2.473 1.00 15.57 N ATOM 1326 CA THR A 106 17.419 29.916 2.120 1.00 16.67 C ATOM 1327 C THR A 106 18.716 30.395 1.483 1.00 16.86 C ATOM 1328 O THR A 106 18.809 31.509 0.898 1.00 17.32 O ATOM 1329 CB THR A 106 16.803 28.917 1.122 1.00 17.32 C ATOM 1330 OG1 THR A 106 16.668 29.548 -0.169 1.00 18.02 O ATOM 1331 CG2 THR A 106 15.460 28.431 1.616 1.00 17.20 C ATOM 1332 HA THR A 106 17.624 29.443 3.080 1.00 0.00 H ATOM 1333 HB THR A 106 17.461 28.053 1.031 1.00 0.00 H ATOM 1334 HG1 THR A 106 16.079 30.340 -0.088 1.00 0.00 H ATOM 1335 HG23 THR A 106 15.582 27.958 2.591 1.00 0.00 H ATOM 1336 HG21 THR A 106 14.779 29.277 1.704 1.00 0.00 H ATOM 1337 HG22 THR A 106 15.054 27.708 0.908 1.00 0.00 H ATOM 1338 H THR A 106 16.256 31.709 1.763 1.00 0.00 H ATOM 1339 N GLN A 107 19.712 29.526 1.571 1.00 16.50 N ATOM 1340 CA GLN A 107 20.853 29.593 0.644 1.00 16.95 C ATOM 1341 C GLN A 107 20.808 28.311 -0.171 1.00 15.19 C ATOM 1342 O GLN A 107 20.243 27.283 0.283 1.00 16.13 O ATOM 1343 CB GLN A 107 22.142 29.729 1.434 1.00 18.99 C ATOM 1344 CG GLN A 107 22.052 31.120 2.051 1.00 28.43 C ATOM 1345 CD GLN A 107 23.236 31.562 2.809 1.00 25.67 C ATOM 1346 OE1 GLN A 107 23.997 32.403 2.318 1.00 30.36 O ATOM 1347 NE2 GLN A 107 23.349 31.117 4.074 1.00 29.39 N ATOM 1348 HA GLN A 107 20.805 30.457 -0.019 1.00 0.00 H ATOM 1349 HB2 GLN A 107 22.204 28.965 2.209 1.00 0.00 H ATOM 1350 HB3 GLN A 107 23.009 29.651 0.778 1.00 0.00 H ATOM 1351 HG2 GLN A 107 21.885 31.834 1.245 1.00 0.00 H ATOM 1352 HG3 GLN A 107 21.198 31.132 2.728 1.00 0.00 H ATOM 1353 HE22 GLN A 107 22.681 30.408 4.437 1.00 0.00 H ATOM 1354 HE21 GLN A 107 24.104 31.483 4.688 1.00 0.00 H ATOM 1355 H GLN A 107 19.687 28.788 2.303 1.00 0.00 H ATOM 1356 N VAL A 108 21.282 28.344 -1.414 1.00 14.62 N ATOM 1357 CA VAL A 108 21.026 27.189 -2.289 1.00 15.70 C ATOM 1358 C VAL A 108 22.243 26.892 -3.125 1.00 15.25 C ATOM 1359 O VAL A 108 22.891 27.821 -3.658 1.00 15.53 O ATOM 1360 CB VAL A 108 19.785 27.461 -3.214 1.00 16.89 C ATOM 1361 CG1 VAL A 108 19.827 28.865 -3.866 1.00 17.89 C ATOM 1362 CG2 VAL A 108 19.640 26.372 -4.283 1.00 17.52 C ATOM 1363 HA VAL A 108 20.807 26.323 -1.664 1.00 0.00 H ATOM 1364 HB VAL A 108 18.906 27.433 -2.569 1.00 0.00 H ATOM 1365 HG11 VAL A 108 19.838 29.626 -3.086 1.00 0.00 H ATOM 1366 HG12 VAL A 108 20.726 28.954 -4.475 1.00 0.00 H ATOM 1367 HG13 VAL A 108 18.946 28.999 -4.494 1.00 0.00 H ATOM 1368 HG21 VAL A 108 20.537 26.350 -4.902 1.00 0.00 H ATOM 1369 HG22 VAL A 108 19.508 25.405 -3.799 1.00 0.00 H ATOM 1370 HG23 VAL A 108 18.773 26.590 -4.906 1.00 0.00 H ATOM 1371 H VAL A 108 21.820 29.165 -1.758 1.00 0.00 H ATOM 1372 N LEU A 109 22.606 25.614 -3.172 1.00 14.85 N ATOM 1373 CA LEU A 109 23.749 25.148 -3.949 1.00 15.87 C ATOM 1374 C LEU A 109 23.195 24.469 -5.198 1.00 16.87 C ATOM 1375 O LEU A 109 22.281 23.638 -5.070 1.00 17.82 O ATOM 1376 CB LEU A 109 24.530 24.089 -3.139 1.00 16.25 C ATOM 1377 CG LEU A 109 25.195 24.602 -1.867 1.00 18.72 C ATOM 1378 CD1 LEU A 109 25.958 23.440 -1.220 1.00 17.52 C ATOM 1379 CD2 LEU A 109 26.123 25.804 -2.141 1.00 17.95 C ATOM 1380 HA LEU A 109 24.408 25.981 -4.194 1.00 0.00 H ATOM 1381 HB2 LEU A 109 23.834 23.298 -2.860 1.00 0.00 H ATOM 1382 HB3 LEU A 109 25.307 23.678 -3.783 1.00 0.00 H ATOM 1383 HG LEU A 109 24.428 24.967 -1.184 1.00 0.00 H ATOM 1384 HD21 LEU A 109 26.906 25.505 -2.837 1.00 0.00 H ATOM 1385 HD22 LEU A 109 25.542 26.619 -2.573 1.00 0.00 H ATOM 1386 HD23 LEU A 109 26.574 26.134 -1.205 1.00 0.00 H ATOM 1387 HD11 LEU A 109 25.260 22.638 -0.980 1.00 0.00 H ATOM 1388 HD12 LEU A 109 26.713 23.071 -1.914 1.00 0.00 H ATOM 1389 HD13 LEU A 109 26.441 23.788 -0.307 1.00 0.00 H ATOM 1390 H LEU A 109 22.052 24.918 -2.633 1.00 0.00 H ATOM 1391 N THR A 110 23.712 24.767 -6.383 1.00 14.63 N ATOM 1392 CA THR A 110 23.248 24.110 -7.611 1.00 15.71 C ATOM 1393 C THR A 110 24.471 23.482 -8.264 1.00 16.35 C ATOM 1394 O THR A 110 25.354 24.190 -8.746 1.00 16.91 O ATOM 1395 CB THR A 110 22.603 25.115 -8.568 1.00 16.28 C ATOM 1396 OG1 THR A 110 21.448 25.680 -7.937 1.00 15.89 O ATOM 1397 CG2 THR A 110 22.146 24.456 -9.905 1.00 16.58 C ATOM 1398 HA THR A 110 22.492 23.361 -7.375 1.00 0.00 H ATOM 1399 HB THR A 110 23.353 25.872 -8.798 1.00 0.00 H ATOM 1400 HG1 THR A 110 20.804 24.959 -7.724 1.00 0.00 H ATOM 1401 HG23 THR A 110 23.009 24.017 -10.406 1.00 0.00 H ATOM 1402 HG21 THR A 110 21.413 23.678 -9.693 1.00 0.00 H ATOM 1403 HG22 THR A 110 21.698 25.214 -10.547 1.00 0.00 H ATOM 1404 H THR A 110 24.464 25.483 -6.443 1.00 0.00 H ATOM 1405 N THR A 111 24.519 22.149 -8.280 1.00 15.87 N ATOM 1406 CA THR A 111 25.682 21.437 -8.811 1.00 15.15 C ATOM 1407 C THR A 111 25.343 20.835 -10.157 1.00 16.14 C ATOM 1408 O THR A 111 24.282 20.192 -10.300 1.00 16.37 O ATOM 1409 CB THR A 111 26.138 20.292 -7.874 1.00 16.63 C ATOM 1410 OG1 THR A 111 26.590 20.849 -6.620 1.00 16.99 O ATOM 1411 CG2 THR A 111 27.269 19.468 -8.521 1.00 18.66 C ATOM 1412 HA THR A 111 26.490 22.163 -8.899 1.00 0.00 H ATOM 1413 HB THR A 111 25.292 19.628 -7.698 1.00 0.00 H ATOM 1414 HG1 THR A 111 27.349 21.462 -6.787 1.00 0.00 H ATOM 1415 HG23 THR A 111 26.919 19.052 -9.466 1.00 0.00 H ATOM 1416 HG21 THR A 111 28.129 20.113 -8.703 1.00 0.00 H ATOM 1417 HG22 THR A 111 27.556 18.658 -7.850 1.00 0.00 H ATOM 1418 H THR A 111 23.714 21.605 -7.908 1.00 0.00 H ATOM 1419 N SER A 112 26.225 21.065 -11.122 1.00 15.91 N ATOM 1420 CA SER A 112 26.085 20.457 -12.437 1.00 16.97 C ATOM 1421 C SER A 112 27.032 19.281 -12.526 1.00 19.42 C ATOM 1422 O SER A 112 28.115 19.335 -11.953 1.00 19.62 O ATOM 1423 CB SER A 112 26.477 21.446 -13.506 1.00 19.37 C ATOM 1424 OG SER A 112 25.546 22.512 -13.551 1.00 21.05 O ATOM 1425 HA SER A 112 25.050 20.145 -12.580 1.00 0.00 H ATOM 1426 HB2 SER A 112 26.496 20.943 -14.473 1.00 0.00 H ATOM 1427 HB3 SER A 112 27.468 21.842 -13.285 1.00 0.00 H ATOM 1428 HG SER A 112 25.529 22.971 -12.674 1.00 0.00 H ATOM 1429 H SER A 112 27.033 21.693 -10.935 1.00 0.00 H ATOM 1430 N GLY A 113 26.658 18.251 -13.287 1.00 19.25 N ATOM 1431 CA GLY A 113 27.618 17.178 -13.592 1.00 19.85 C ATOM 1432 C GLY A 113 28.719 17.777 -14.445 1.00 21.62 C ATOM 1433 O GLY A 113 28.440 18.479 -15.420 1.00 24.21 O ATOM 1434 HA3 GLY A 113 27.119 16.377 -14.137 1.00 0.00 H ATOM 1435 HA2 GLY A 113 28.038 16.781 -12.668 1.00 0.00 H ATOM 1436 H GLY A 113 25.690 18.206 -13.664 1.00 0.00 H ATOM 1437 N THR A 114 29.972 17.528 -14.090 1.00 20.87 N ATOM 1438 CA THR A 114 31.114 18.045 -14.858 1.00 21.35 C ATOM 1439 C THR A 114 32.168 16.967 -15.042 1.00 21.75 C ATOM 1440 O THR A 114 32.133 15.931 -14.383 1.00 22.40 O ATOM 1441 CB THR A 114 31.821 19.208 -14.118 1.00 22.15 C ATOM 1442 OG1 THR A 114 32.498 18.699 -12.959 1.00 20.71 O ATOM 1443 CG2 THR A 114 30.812 20.259 -13.658 1.00 21.85 C ATOM 1444 HA THR A 114 30.709 18.382 -15.812 1.00 0.00 H ATOM 1445 HB THR A 114 32.528 19.666 -14.810 1.00 0.00 H ATOM 1446 HG1 THR A 114 33.171 18.029 -13.239 1.00 0.00 H ATOM 1447 HG23 THR A 114 30.286 20.659 -14.525 1.00 0.00 H ATOM 1448 HG21 THR A 114 30.096 19.800 -12.977 1.00 0.00 H ATOM 1449 HG22 THR A 114 31.337 21.065 -13.146 1.00 0.00 H ATOM 1450 H THR A 114 30.152 16.950 -13.244 1.00 0.00 H ATOM 1451 N THR A 115 33.103 17.209 -15.949 1.00 22.06 N ATOM 1452 CA THR A 115 34.300 16.369 -15.986 1.00 23.43 C ATOM 1453 C THR A 115 35.116 16.642 -14.727 1.00 23.77 C ATOM 1454 O THR A 115 34.866 17.615 -14.005 1.00 23.22 O ATOM 1455 CB THR A 115 35.148 16.681 -17.211 1.00 25.27 C ATOM 1456 OG1 THR A 115 35.579 18.048 -17.142 1.00 29.28 O ATOM 1457 CG2 THR A 115 34.302 16.480 -18.463 1.00 29.91 C ATOM 1458 HA THR A 115 34.001 15.322 -16.036 1.00 0.00 H ATOM 1459 HB THR A 115 36.016 16.023 -17.245 1.00 0.00 H ATOM 1460 HG1 THR A 115 36.132 18.259 -17.936 1.00 0.00 H ATOM 1461 HG23 THR A 115 33.974 15.442 -18.516 1.00 0.00 H ATOM 1462 HG21 THR A 115 33.432 17.135 -18.421 1.00 0.00 H ATOM 1463 HG22 THR A 115 34.897 16.720 -19.344 1.00 0.00 H ATOM 1464 H THR A 115 32.987 17.988 -16.628 1.00 0.00 H ATOM 1465 N GLU A 116 36.090 15.781 -14.432 1.00 25.65 N ATOM 1466 CA GLU A 116 36.908 15.984 -13.241 1.00 26.10 C ATOM 1467 C GLU A 116 37.719 17.267 -13.387 1.00 24.77 C ATOM 1468 O GLU A 116 37.870 18.006 -12.416 1.00 23.99 O ATOM 1469 CB GLU A 116 37.826 14.769 -12.993 1.00 29.10 C ATOM 1470 CG GLU A 116 37.013 13.553 -12.500 1.00 45.00 C ATOM 1471 CD GLU A 116 37.868 12.439 -11.895 1.00 33.14 C ATOM 1472 OE1 GLU A 116 38.879 12.749 -11.221 1.00 46.45 O ATOM 1473 OE2 GLU A 116 37.530 11.246 -12.105 1.00 46.34 O ATOM 1474 HA GLU A 116 36.255 16.082 -12.374 1.00 0.00 H ATOM 1475 HB2 GLU A 116 38.331 14.507 -13.923 1.00 0.00 H ATOM 1476 HB3 GLU A 116 38.569 15.031 -12.239 1.00 0.00 H ATOM 1477 HG2 GLU A 116 36.309 13.895 -11.742 1.00 0.00 H ATOM 1478 HG3 GLU A 116 36.463 13.142 -13.346 1.00 0.00 H ATOM 1479 H GLU A 116 36.267 14.964 -15.051 1.00 0.00 H ATOM 1480 N ALA A 117 38.188 17.548 -14.603 1.00 24.06 N ATOM 1481 CA ALA A 117 38.985 18.766 -14.831 1.00 23.97 C ATOM 1482 C ALA A 117 38.200 20.017 -14.480 1.00 24.09 C ATOM 1483 O ALA A 117 38.787 21.018 -14.048 1.00 25.16 O ATOM 1484 CB ALA A 117 39.471 18.856 -16.287 1.00 25.45 C ATOM 1485 HA ALA A 117 39.853 18.701 -14.175 1.00 0.00 H ATOM 1486 HB1 ALA A 117 40.091 17.989 -16.516 1.00 0.00 H ATOM 1487 HB2 ALA A 117 38.610 18.876 -16.955 1.00 0.00 H ATOM 1488 HB3 ALA A 117 40.055 19.767 -16.418 1.00 0.00 H ATOM 1489 H ALA A 117 37.990 16.904 -15.395 1.00 0.00 H ATOM 1490 N ASN A 118 36.885 19.972 -14.699 1.00 22.26 N ATOM 1491 CA ASN A 118 36.023 21.153 -14.545 1.00 21.92 C ATOM 1492 C ASN A 118 35.290 21.170 -13.210 1.00 20.59 C ATOM 1493 O ASN A 118 34.420 21.997 -12.968 1.00 20.02 O ATOM 1494 CB ASN A 118 34.991 21.230 -15.661 1.00 23.12 C ATOM 1495 CG ASN A 118 35.599 21.663 -16.980 1.00 27.15 C ATOM 1496 OD1 ASN A 118 36.670 22.266 -17.014 1.00 25.39 O ATOM 1497 ND2 ASN A 118 34.921 21.352 -18.070 1.00 26.88 N ATOM 1498 HA ASN A 118 36.689 22.015 -14.590 1.00 0.00 H ATOM 1499 HB2 ASN A 118 34.539 20.246 -15.789 1.00 0.00 H ATOM 1500 HB3 ASN A 118 34.221 21.948 -15.378 1.00 0.00 H ATOM 1501 HD22 ASN A 118 34.019 20.841 -17.993 1.00 0.00 H ATOM 1502 HD21 ASN A 118 35.290 21.618 -19.005 1.00 0.00 H ATOM 1503 H ASN A 118 36.455 19.071 -14.989 1.00 0.00 H ATOM 1504 N ALA A 119 35.629 20.245 -12.332 1.00 21.40 N ATOM 1505 CA ALA A 119 34.893 20.149 -11.071 1.00 19.87 C ATOM 1506 C ALA A 119 34.932 21.395 -10.201 1.00 18.35 C ATOM 1507 O ALA A 119 34.005 21.630 -9.427 1.00 17.81 O ATOM 1508 CB ALA A 119 35.339 18.905 -10.266 1.00 21.18 C ATOM 1509 HA ALA A 119 33.849 20.045 -11.366 1.00 0.00 H ATOM 1510 HB1 ALA A 119 35.149 18.007 -10.853 1.00 0.00 H ATOM 1511 HB2 ALA A 119 36.404 18.979 -10.047 1.00 0.00 H ATOM 1512 HB3 ALA A 119 34.777 18.857 -9.333 1.00 0.00 H ATOM 1513 H ALA A 119 36.412 19.591 -12.534 1.00 0.00 H ATOM 1514 N TRP A 120 35.994 22.187 -10.319 1.00 18.72 N ATOM 1515 CA TRP A 120 36.091 23.406 -9.556 1.00 17.12 C ATOM 1516 C TRP A 120 34.951 24.382 -9.894 1.00 17.38 C ATOM 1517 O TRP A 120 34.682 25.307 -9.089 1.00 17.47 O ATOM 1518 CB TRP A 120 37.453 24.070 -9.823 1.00 17.72 C ATOM 1519 CG TRP A 120 37.593 24.531 -11.214 1.00 18.43 C ATOM 1520 CD1 TRP A 120 38.038 23.796 -12.296 1.00 19.76 C ATOM 1521 CD2 TRP A 120 37.283 25.836 -11.707 1.00 18.89 C ATOM 1522 NE1 TRP A 120 38.016 24.583 -13.445 1.00 19.90 N ATOM 1523 CE2 TRP A 120 37.548 25.831 -13.103 1.00 19.15 C ATOM 1524 CE3 TRP A 120 36.786 27.013 -11.107 1.00 18.02 C ATOM 1525 CZ2 TRP A 120 37.362 26.955 -13.889 1.00 20.63 C ATOM 1526 CZ3 TRP A 120 36.597 28.143 -11.901 1.00 18.97 C ATOM 1527 CH2 TRP A 120 36.878 28.095 -13.292 1.00 19.32 C ATOM 1528 HA TRP A 120 36.003 23.154 -8.499 1.00 0.00 H ATOM 1529 HB2 TRP A 120 37.561 24.927 -9.158 1.00 0.00 H ATOM 1530 HB3 TRP A 120 38.242 23.347 -9.613 1.00 0.00 H ATOM 1531 HE1 TRP A 120 38.304 24.280 -14.397 1.00 0.00 H ATOM 1532 HD1 TRP A 120 38.359 22.755 -12.256 1.00 0.00 H ATOM 1533 HZ2 TRP A 120 37.593 26.937 -14.954 1.00 0.00 H ATOM 1534 HH2 TRP A 120 36.706 28.983 -13.901 1.00 0.00 H ATOM 1535 HZ3 TRP A 120 36.232 29.067 -11.452 1.00 0.00 H ATOM 1536 HE3 TRP A 120 36.554 27.038 -10.042 1.00 0.00 H ATOM 1537 H TRP A 120 36.762 21.924 -10.969 1.00 0.00 H ATOM 1538 N LYS A 121 34.322 24.221 -11.076 1.00 17.16 N ATOM 1539 CA LYS A 121 33.209 25.124 -11.463 1.00 17.02 C ATOM 1540 C LYS A 121 31.881 24.365 -11.530 1.00 17.03 C ATOM 1541 O LYS A 121 30.961 24.753 -12.261 1.00 17.99 O ATOM 1542 CB LYS A 121 33.492 25.885 -12.769 1.00 18.50 C ATOM 1543 CG LYS A 121 33.941 25.022 -13.913 1.00 23.21 C ATOM 1544 CD LYS A 121 34.030 25.860 -15.171 1.00 21.64 C ATOM 1545 CE LYS A 121 34.444 25.015 -16.349 1.00 26.52 C ATOM 1546 NZ LYS A 121 34.490 25.875 -17.575 1.00 26.61 N ATOM 1547 HA LYS A 121 33.127 25.878 -10.680 1.00 0.00 H ATOM 1548 HB2 LYS A 121 32.578 26.398 -13.068 1.00 0.00 H ATOM 1549 HB3 LYS A 121 34.272 26.621 -12.572 1.00 0.00 H ATOM 1550 HG2 LYS A 121 34.920 24.599 -13.687 1.00 0.00 H ATOM 1551 HG3 LYS A 121 33.224 24.215 -14.063 1.00 0.00 H ATOM 1552 HD2 LYS A 121 33.056 26.304 -15.374 1.00 0.00 H ATOM 1553 HD3 LYS A 121 34.765 26.651 -15.022 1.00 0.00 H ATOM 1554 HE2 LYS A 121 33.723 24.211 -16.493 1.00 0.00 H ATOM 1555 HE3 LYS A 121 35.430 24.588 -16.164 1.00 0.00 H ATOM 1556 HZ1 LYS A 121 33.548 26.281 -17.748 1.00 0.00 H ATOM 1557 HZ2 LYS A 121 35.178 26.642 -17.434 1.00 0.00 H ATOM 1558 HZ3 LYS A 121 34.775 25.298 -18.392 1.00 0.00 H ATOM 1559 H LYS A 121 34.618 23.460 -11.720 1.00 0.00 H ATOM 1560 N SER A 122 31.770 23.314 -10.714 1.00 16.96 N ATOM 1561 CA SER A 122 30.541 22.513 -10.700 1.00 16.95 C ATOM 1562 C SER A 122 29.376 23.191 -10.009 1.00 16.87 C ATOM 1563 O SER A 122 28.222 22.883 -10.318 1.00 16.83 O ATOM 1564 CB SER A 122 30.780 21.138 -10.049 1.00 18.53 C ATOM 1565 OG SER A 122 31.008 21.297 -8.654 1.00 18.45 O ATOM 1566 HA SER A 122 30.271 22.391 -11.749 1.00 0.00 H ATOM 1567 HB2 SER A 122 31.650 20.667 -10.507 1.00 0.00 H ATOM 1568 HB3 SER A 122 29.904 20.508 -10.203 1.00 0.00 H ATOM 1569 HG SER A 122 30.217 21.723 -8.238 1.00 0.00 H ATOM 1570 H SER A 122 32.559 23.062 -10.085 1.00 0.00 H ATOM 1571 N THR A 123 29.639 24.042 -9.018 1.00 15.47 N ATOM 1572 CA THR A 123 28.566 24.357 -8.058 1.00 15.13 C ATOM 1573 C THR A 123 28.370 25.866 -7.846 1.00 15.91 C ATOM 1574 O THR A 123 29.308 26.560 -7.491 1.00 17.25 O ATOM 1575 CB THR A 123 28.886 23.751 -6.692 1.00 14.15 C ATOM 1576 OG1 THR A 123 29.051 22.321 -6.851 1.00 17.40 O ATOM 1577 CG2 THR A 123 27.747 24.005 -5.715 1.00 16.36 C ATOM 1578 HA THR A 123 27.655 23.939 -8.486 1.00 0.00 H ATOM 1579 HB THR A 123 29.796 24.208 -6.302 1.00 0.00 H ATOM 1580 HG1 THR A 123 29.793 22.144 -7.482 1.00 0.00 H ATOM 1581 HG23 THR A 123 27.613 25.079 -5.587 1.00 0.00 H ATOM 1582 HG21 THR A 123 26.829 23.567 -6.107 1.00 0.00 H ATOM 1583 HG22 THR A 123 27.986 23.550 -4.754 1.00 0.00 H ATOM 1584 H THR A 123 30.580 24.474 -8.924 1.00 0.00 H ATOM 1585 N LEU A 124 27.142 26.335 -8.084 1.00 15.16 N ATOM 1586 CA LEU A 124 26.754 27.712 -7.789 1.00 14.79 C ATOM 1587 C LEU A 124 26.327 27.766 -6.320 1.00 15.12 C ATOM 1588 O LEU A 124 25.753 26.803 -5.776 1.00 15.53 O ATOM 1589 CB LEU A 124 25.520 28.087 -8.600 1.00 15.40 C ATOM 1590 CG LEU A 124 25.706 28.234 -10.119 1.00 14.22 C ATOM 1591 CD1 LEU A 124 24.281 28.439 -10.709 1.00 17.59 C ATOM 1592 CD2 LEU A 124 26.642 29.409 -10.463 1.00 17.24 C ATOM 1593 HA LEU A 124 27.585 28.380 -8.017 1.00 0.00 H ATOM 1594 HB2 LEU A 124 24.768 27.315 -8.433 1.00 0.00 H ATOM 1595 HB3 LEU A 124 25.152 29.040 -8.219 1.00 0.00 H ATOM 1596 HG LEU A 124 26.181 27.351 -10.546 1.00 0.00 H ATOM 1597 HD21 LEU A 124 26.218 30.335 -10.076 1.00 0.00 H ATOM 1598 HD22 LEU A 124 27.619 29.238 -10.010 1.00 0.00 H ATOM 1599 HD23 LEU A 124 26.749 29.482 -11.545 1.00 0.00 H ATOM 1600 HD11 LEU A 124 23.662 27.574 -10.470 1.00 0.00 H ATOM 1601 HD12 LEU A 124 23.836 29.336 -10.278 1.00 0.00 H ATOM 1602 HD13 LEU A 124 24.350 28.550 -11.791 1.00 0.00 H ATOM 1603 H LEU A 124 26.434 25.694 -8.496 1.00 0.00 H ATOM 1604 N VAL A 125 26.495 28.947 -5.722 1.00 14.50 N ATOM 1605 CA VAL A 125 25.809 29.269 -4.468 1.00 15.11 C ATOM 1606 C VAL A 125 24.976 30.512 -4.663 1.00 15.26 C ATOM 1607 O VAL A 125 25.439 31.480 -5.285 1.00 16.21 O ATOM 1608 CB VAL A 125 26.764 29.416 -3.278 1.00 15.73 C ATOM 1609 CG1 VAL A 125 27.791 30.541 -3.499 1.00 17.44 C ATOM 1610 CG2 VAL A 125 25.974 29.693 -2.027 1.00 17.28 C ATOM 1611 HA VAL A 125 25.162 28.429 -4.217 1.00 0.00 H ATOM 1612 HB VAL A 125 27.313 28.480 -3.177 1.00 0.00 H ATOM 1613 HG11 VAL A 125 28.384 30.321 -4.387 1.00 0.00 H ATOM 1614 HG12 VAL A 125 27.268 31.487 -3.635 1.00 0.00 H ATOM 1615 HG13 VAL A 125 28.446 30.609 -2.631 1.00 0.00 H ATOM 1616 HG21 VAL A 125 25.407 30.616 -2.153 1.00 0.00 H ATOM 1617 HG22 VAL A 125 25.288 28.866 -1.841 1.00 0.00 H ATOM 1618 HG23 VAL A 125 26.656 29.797 -1.183 1.00 0.00 H ATOM 1619 H VAL A 125 27.125 29.653 -6.154 1.00 0.00 H ATOM 1620 N GLY A 126 23.720 30.451 -4.237 1.00 15.31 N ATOM 1621 CA GLY A 126 22.844 31.651 -4.291 1.00 15.63 C ATOM 1622 C GLY A 126 21.977 31.699 -3.058 1.00 16.09 C ATOM 1623 O GLY A 126 22.182 30.957 -2.084 1.00 16.82 O ATOM 1624 HA3 GLY A 126 22.212 31.600 -5.178 1.00 0.00 H ATOM 1625 HA2 GLY A 126 23.460 32.549 -4.337 1.00 0.00 H ATOM 1626 H GLY A 126 23.346 29.556 -3.862 1.00 0.00 H ATOM 1627 N HIS A 127 21.033 32.637 -3.065 1.00 15.43 N ATOM 1628 CA HIS A 127 20.109 32.725 -1.942 1.00 18.06 C ATOM 1629 C HIS A 127 18.719 33.049 -2.459 1.00 17.78 C ATOM 1630 O HIS A 127 18.542 33.974 -3.232 1.00 19.37 O ATOM 1631 CB HIS A 127 20.594 33.780 -0.951 1.00 23.39 C ATOM 1632 CG HIS A 127 20.991 35.057 -1.596 1.00 28.85 C ATOM 1633 ND1 HIS A 127 20.111 36.104 -1.757 1.00 29.13 N ATOM 1634 CD2 HIS A 127 22.160 35.453 -2.157 1.00 27.73 C ATOM 1635 CE1 HIS A 127 20.728 37.102 -2.367 1.00 30.27 C ATOM 1636 NE2 HIS A 127 21.977 36.740 -2.606 1.00 30.37 N ATOM 1637 HA HIS A 127 20.068 31.770 -1.419 1.00 0.00 H ATOM 1638 HB2 HIS A 127 19.791 33.985 -0.244 1.00 0.00 H ATOM 1639 HB3 HIS A 127 21.455 33.381 -0.415 1.00 0.00 H ATOM 1640 HD2 HIS A 127 23.073 34.863 -2.237 1.00 0.00 H ATOM 1641 HE1 HIS A 127 20.282 38.062 -2.629 1.00 0.00 H ATOM 1642 H HIS A 127 20.956 33.300 -3.863 1.00 0.00 H ATOM 1643 N ASP A 128 17.750 32.285 -1.980 1.00 15.85 N ATOM 1644 CA ASP A 128 16.344 32.447 -2.372 1.00 16.28 C ATOM 1645 C ASP A 128 15.503 32.750 -1.136 1.00 16.70 C ATOM 1646 O ASP A 128 15.653 32.098 -0.107 1.00 17.75 O ATOM 1647 CB ASP A 128 15.821 31.147 -2.995 1.00 17.71 C ATOM 1648 CG ASP A 128 16.290 30.940 -4.433 1.00 18.48 C ATOM 1649 OD1 ASP A 128 16.996 31.817 -5.000 1.00 19.67 O ATOM 1650 OD2 ASP A 128 15.963 29.876 -4.958 1.00 18.28 O ATOM 1651 HA ASP A 128 16.274 33.262 -3.092 1.00 0.00 H ATOM 1652 HB2 ASP A 128 16.170 30.308 -2.392 1.00 0.00 H ATOM 1653 HB3 ASP A 128 14.731 31.171 -2.985 1.00 0.00 H ATOM 1654 H ASP A 128 17.994 31.539 -1.298 1.00 0.00 H ATOM 1655 N THR A 129 14.593 33.714 -1.266 1.00 16.44 N ATOM 1656 CA THR A 129 13.662 34.032 -0.185 1.00 17.64 C ATOM 1657 C THR A 129 12.279 33.707 -0.714 1.00 18.16 C ATOM 1658 O THR A 129 11.903 34.194 -1.782 1.00 18.99 O ATOM 1659 CB THR A 129 13.708 35.543 0.177 1.00 20.07 C ATOM 1660 OG1 THR A 129 15.050 35.897 0.506 1.00 26.43 O ATOM 1661 CG2 THR A 129 12.797 35.831 1.364 1.00 25.96 C ATOM 1662 HA THR A 129 13.919 33.467 0.711 1.00 0.00 H ATOM 1663 HB THR A 129 13.364 36.130 -0.675 1.00 0.00 H ATOM 1664 HG1 THR A 129 15.637 35.720 -0.271 1.00 0.00 H ATOM 1665 HG23 THR A 129 11.773 35.559 1.109 1.00 0.00 H ATOM 1666 HG21 THR A 129 13.126 35.246 2.223 1.00 0.00 H ATOM 1667 HG22 THR A 129 12.843 36.893 1.606 1.00 0.00 H ATOM 1668 H THR A 129 14.544 34.251 -2.155 1.00 0.00 H ATOM 1669 N PHE A 130 11.554 32.866 0.022 1.00 16.79 N ATOM 1670 CA PHE A 130 10.210 32.453 -0.342 1.00 17.55 C ATOM 1671 C PHE A 130 9.170 33.130 0.521 1.00 18.31 C ATOM 1672 O PHE A 130 9.327 33.236 1.751 1.00 18.40 O ATOM 1673 CB PHE A 130 10.072 30.938 -0.188 1.00 17.23 C ATOM 1674 CG PHE A 130 10.946 30.151 -1.145 1.00 16.64 C ATOM 1675 CD1 PHE A 130 12.283 29.876 -0.839 1.00 17.29 C ATOM 1676 CD2 PHE A 130 10.433 29.698 -2.361 1.00 17.63 C ATOM 1677 CE1 PHE A 130 13.092 29.175 -1.710 1.00 15.92 C ATOM 1678 CE2 PHE A 130 11.239 28.977 -3.243 1.00 16.20 C ATOM 1679 CZ PHE A 130 12.573 28.724 -2.923 1.00 17.09 C ATOM 1680 HA PHE A 130 10.045 32.744 -1.379 1.00 0.00 H ATOM 1681 HB2 PHE A 130 10.346 30.668 0.832 1.00 0.00 H ATOM 1682 HB3 PHE A 130 9.032 30.666 -0.367 1.00 0.00 H ATOM 1683 HD2 PHE A 130 9.396 29.909 -2.624 1.00 0.00 H ATOM 1684 HE2 PHE A 130 10.826 28.611 -4.183 1.00 0.00 H ATOM 1685 HZ PHE A 130 13.208 28.175 -3.619 1.00 0.00 H ATOM 1686 HE1 PHE A 130 14.132 28.975 -1.451 1.00 0.00 H ATOM 1687 HD1 PHE A 130 12.695 30.223 0.109 1.00 0.00 H ATOM 1688 H PHE A 130 11.969 32.488 0.897 1.00 0.00 H ATOM 1689 N THR A 131 8.078 33.533 -0.127 1.00 18.28 N ATOM 1690 CA THR A 131 6.940 34.137 0.550 1.00 19.03 C ATOM 1691 C THR A 131 5.690 33.398 0.120 1.00 20.01 C ATOM 1692 O THR A 131 5.690 32.711 -0.895 1.00 19.70 O ATOM 1693 CB THR A 131 6.811 35.616 0.175 1.00 19.91 C ATOM 1694 OG1 THR A 131 6.789 35.744 -1.259 1.00 22.03 O ATOM 1695 CG2 THR A 131 8.003 36.378 0.701 1.00 20.45 C ATOM 1696 HA THR A 131 7.079 34.069 1.629 1.00 0.00 H ATOM 1697 HB THR A 131 5.892 36.014 0.606 1.00 0.00 H ATOM 1698 HG1 THR A 131 6.017 35.241 -1.622 1.00 0.00 H ATOM 1699 HG23 THR A 131 8.037 36.293 1.787 1.00 0.00 H ATOM 1700 HG21 THR A 131 8.916 35.962 0.274 1.00 0.00 H ATOM 1701 HG22 THR A 131 7.914 37.427 0.420 1.00 0.00 H ATOM 1702 H THR A 131 8.037 33.411 -1.159 1.00 0.00 H ATOM 1703 N LYS A 132 4.621 33.557 0.892 1.00 21.25 N ATOM 1704 CA LYS A 132 3.365 32.882 0.572 1.00 23.47 C ATOM 1705 C LYS A 132 2.522 33.647 -0.436 1.00 25.17 C ATOM 1706 O LYS A 132 1.541 33.113 -0.962 1.00 25.04 O ATOM 1707 CB LYS A 132 2.564 32.656 1.858 1.00 26.04 C ATOM 1708 CG LYS A 132 3.098 31.500 2.646 1.00 25.98 C ATOM 1709 CD LYS A 132 2.223 31.171 3.821 1.00 30.25 C ATOM 1710 CE LYS A 132 2.892 30.112 4.676 1.00 28.50 C ATOM 1711 NZ LYS A 132 1.912 29.565 5.645 1.00 32.15 N ATOM 1712 HA LYS A 132 3.619 31.928 0.110 1.00 0.00 H ATOM 1713 HB2 LYS A 132 2.617 33.556 2.470 1.00 0.00 H ATOM 1714 HB3 LYS A 132 1.525 32.456 1.597 1.00 0.00 H ATOM 1715 HG2 LYS A 132 3.158 30.627 1.996 1.00 0.00 H ATOM 1716 HG3 LYS A 132 4.095 31.751 3.008 1.00 0.00 H ATOM 1717 HD2 LYS A 132 2.063 32.070 4.417 1.00 0.00 H ATOM 1718 HD3 LYS A 132 1.263 30.797 3.465 1.00 0.00 H ATOM 1719 HE2 LYS A 132 3.728 30.556 5.216 1.00 0.00 H ATOM 1720 HE3 LYS A 132 3.259 29.308 4.038 1.00 0.00 H ATOM 1721 HZ1 LYS A 132 1.563 30.333 6.254 1.00 0.00 H ATOM 1722 HZ2 LYS A 132 1.115 29.141 5.128 1.00 0.00 H ATOM 1723 HZ3 LYS A 132 2.373 28.839 6.230 1.00 0.00 H ATOM 1724 H LYS A 132 4.678 34.168 1.732 1.00 0.00 H ATOM 1725 N VAL A 133 2.862 34.906 -0.679 1.00 27.86 N ATOM 1726 CA VAL A 133 2.137 35.671 -1.698 1.00 33.33 C ATOM 1727 C VAL A 133 3.066 36.055 -2.843 1.00 37.21 C ATOM 1728 O VAL A 133 4.233 36.325 -2.624 1.00 37.38 O ATOM 1729 CB VAL A 133 1.384 36.873 -1.109 1.00 35.64 C ATOM 1730 CG1 VAL A 133 0.079 36.388 -0.467 1.00 45.33 C ATOM 1731 CG2 VAL A 133 2.232 37.579 -0.086 1.00 45.09 C ATOM 1732 HA VAL A 133 1.363 35.024 -2.111 1.00 0.00 H ATOM 1733 HB VAL A 133 1.157 37.578 -1.909 1.00 0.00 H ATOM 1734 HG11 VAL A 133 -0.539 35.905 -1.224 1.00 0.00 H ATOM 1735 HG12 VAL A 133 0.308 35.676 0.326 1.00 0.00 H ATOM 1736 HG13 VAL A 133 -0.457 37.240 -0.048 1.00 0.00 H ATOM 1737 HG21 VAL A 133 2.479 36.887 0.719 1.00 0.00 H ATOM 1738 HG22 VAL A 133 3.149 37.932 -0.557 1.00 0.00 H ATOM 1739 HG23 VAL A 133 1.680 38.427 0.319 1.00 0.00 H ATOM 1740 H VAL A 133 3.640 35.349 -0.149 1.00 0.00 H ATOM 1741 N LYS A 134 2.550 36.035 -4.067 1.00 41.07 N ATOM 1742 CA LYS A 134 3.396 36.170 -5.256 1.00 43.83 C ATOM 1743 C LYS A 134 4.331 37.376 -5.274 1.00 44.53 C ATOM 1744 O LYS A 134 3.919 38.494 -4.969 1.00 45.64 O ATOM 1745 CB LYS A 134 2.530 36.166 -6.509 1.00 45.74 C ATOM 1746 CG LYS A 134 1.702 34.904 -6.675 1.00 45.71 C ATOM 1747 CD LYS A 134 1.187 34.836 -8.102 1.00 47.50 C ATOM 1748 CE LYS A 134 0.975 33.420 -8.585 1.00 46.37 C ATOM 1749 NZ LYS A 134 0.824 33.415 -10.061 1.00 48.63 N ATOM 1750 HA LYS A 134 4.059 35.305 -5.227 1.00 0.00 H ATOM 1751 HB2 LYS A 134 1.853 37.019 -6.462 1.00 0.00 H ATOM 1752 HB3 LYS A 134 3.181 36.268 -7.378 1.00 0.00 H ATOM 1753 HG2 LYS A 134 2.320 34.031 -6.467 1.00 0.00 H ATOM 1754 HG3 LYS A 134 0.860 34.925 -5.983 1.00 0.00 H ATOM 1755 HD2 LYS A 134 0.237 35.367 -8.155 1.00 0.00 H ATOM 1756 HD3 LYS A 134 1.910 35.322 -8.756 1.00 0.00 H ATOM 1757 HE2 LYS A 134 0.075 33.011 -8.127 1.00 0.00 H ATOM 1758 HE3 LYS A 134 1.833 32.809 -8.306 1.00 0.00 H ATOM 1759 HZ1 LYS A 134 0.004 33.998 -10.326 1.00 0.00 H ATOM 1760 HZ2 LYS A 134 1.684 33.805 -10.498 1.00 0.00 H ATOM 1761 HZ3 LYS A 134 0.678 32.439 -10.390 1.00 0.00 H ATOM 1762 H LYS A 134 1.523 35.921 -4.184 1.00 0.00 H TER 1763 LYS A 134 HETATM 1764 O HOH 2 21.011 34.136 -5.648 1.00 22.46 O HETATM 1765 O HOH 3 12.510 11.549 -12.871 1.00 41.20 O HETATM 1766 O HOH 4 13.861 16.094 -8.832 1.00 18.39 O HETATM 1767 O HOH 5 14.164 13.947 -11.311 1.00 28.29 O HETATM 1768 O HOH 6 35.897 27.062 -7.340 1.00 19.23 O HETATM 1769 O HOH 7 1.250 17.060 6.857 1.00 21.22 O HETATM 1770 O HOH 8 16.233 12.162 -11.883 1.00 20.37 O HETATM 1771 O HOH 9 32.248 24.672 -7.739 1.00 17.22 O HETATM 1772 O HOH 10 25.845 24.491 -11.585 1.00 17.96 O HETATM 1773 O HOH 11 22.381 27.838 -6.637 1.00 17.09 O HETATM 1774 O HOH 12 37.950 25.477 -6.429 1.00 20.66 O HETATM 1775 O HOH 13 11.044 15.593 -11.704 1.00 22.26 O HETATM 1776 O HOH 14 2.564 18.389 -2.021 1.00 41.67 O HETATM 1777 O HOH 15 14.872 24.167 13.870 1.00 21.56 O HETATM 1778 O HOH 16 11.658 11.955 4.359 1.00 26.58 O HETATM 1779 O HOH 17 31.807 29.087 12.348 1.00 29.89 O HETATM 1780 O HOH 18 6.930 12.732 7.909 1.00 25.66 O HETATM 1781 O HOH 19 10.631 12.508 2.436 1.00 42.17 O HETATM 1782 O HOH 20 19.976 36.046 -6.568 1.00 37.51 O HETATM 1783 O HOH 21 4.481 35.276 3.237 1.00 24.48 O HETATM 1784 O HOH 22 7.687 11.075 -7.237 1.00 45.59 O HETATM 1785 O HOH 23 31.839 22.253 -16.981 1.00 41.18 O HETATM 1786 O HOH 24 21.929 24.791 -17.825 1.00 35.32 O HETATM 1787 O HOH 25 14.210 25.779 16.062 1.00 24.87 O HETATM 1788 O HOH 26 38.651 15.437 -16.606 1.00 34.73 O HETATM 1789 O HOH 27 16.085 36.361 -12.795 1.00 43.91 O HETATM 1790 O HOH 28 6.296 16.870 -11.192 1.00 48.26 O HETATM 1791 O HOH 29 7.213 12.744 -5.155 1.00 43.59 O HETATM 1792 O HOH 30 8.941 13.705 -3.336 1.00 47.53 O HETATM 1793 O HOH 31 34.306 32.061 15.914 1.00 35.82 O HETATM 1794 O HOH 32 11.516 18.905 -24.213 1.00 30.49 O HETATM 1795 O HOH 33 23.648 32.066 -0.019 1.00 44.16 O HETATM 1796 O HOH 34 18.271 32.342 7.967 1.00 22.92 O HETATM 1797 O HOH 35 32.927 31.370 18.176 1.00 58.33 O HETATM 1798 O HOH 36 19.529 16.456 -13.666 1.00 23.38 O HETATM 1799 O HOH 37 10.891 12.879 -12.003 1.00 47.33 O HETATM 1800 O HOH 38 5.766 37.297 10.268 1.00 51.79 O HETATM 1801 O HOH 39 10.299 35.582 13.969 1.00 44.05 O HETATM 1802 O HOH 40 10.633 24.778 -14.207 1.00 21.55 O HETATM 1803 O HOH 41 20.593 29.388 4.770 1.00 22.01 O HETATM 1804 O HOH 42 14.098 29.617 -17.920 1.00 38.77 O HETATM 1805 O HOH 43 15.612 20.639 -16.648 1.00 20.46 O HETATM 1806 O HOH 44 12.309 36.566 7.616 1.00 35.75 O HETATM 1807 O HOH 45 2.436 35.218 5.175 1.00 31.04 O HETATM 1808 O HOH 46 19.397 31.759 5.685 1.00 31.03 O HETATM 1809 O HOH 47 13.479 35.953 -12.753 1.00 34.97 O HETATM 1810 O HOH 48 32.415 19.702 -17.594 1.00 27.24 O HETATM 1811 O HOH 49 18.929 33.712 3.947 1.00 39.23 O HETATM 1812 O HOH 50 35.118 19.655 -6.660 1.00 26.40 O HETATM 1813 O HOH 51 38.641 16.236 -19.218 1.00 49.11 O HETATM 1814 O HOH 52 11.198 10.415 -18.464 1.00 54.48 O HETATM 1815 O HOH 53 16.472 16.737 -0.035 1.00 16.16 O HETATM 1816 O HOH 54 0.853 30.565 -0.849 1.00 25.77 O HETATM 1817 O HOH 55 5.524 15.021 3.190 1.00 40.19 O HETATM 1818 O HOH 56 0.098 30.109 -7.987 1.00 34.31 O HETATM 1819 O HOH 57 9.751 13.355 0.375 1.00 26.04 O HETATM 1820 O HOH 58 38.591 20.758 -11.064 1.00 31.25 O HETATM 1821 O HOH 59 5.499 20.688 13.369 1.00 40.69 O HETATM 1822 O HOH 60 22.514 19.463 -5.525 1.00 25.74 O HETATM 1823 O HOH 61 9.472 29.027 12.651 1.00 37.72 O HETATM 1824 O HOH 62 9.788 31.997 13.713 1.00 43.19 O HETATM 1825 O HOH 63 17.866 37.071 -6.675 1.00 30.87 O HETATM 1826 O HOH 64 16.433 26.655 17.395 1.00 30.21 O HETATM 1827 O HOH 65 34.645 23.044 -20.860 1.00 55.47 O HETATM 1828 O HOH 66 6.271 15.011 -5.537 1.00 30.07 O HETATM 1829 O HOH 67 6.793 29.808 -11.201 1.00 30.49 O HETATM 1830 O HOH 68 0.050 29.323 10.490 1.00 38.63 O HETATM 1831 O HOH 69 1.540 14.931 5.499 1.00 36.35 O HETATM 1832 O HOH 70 5.354 19.609 -15.536 1.00 34.52 O HETATM 1833 O HOH 71 17.362 31.662 -17.310 1.00 36.50 O HETATM 1834 O HOH 72 26.106 19.062 -16.445 1.00 34.90 O HETATM 1835 O HOH 73 7.620 15.510 -15.699 1.00 34.83 O HETATM 1836 O HOH 74 9.415 11.192 8.055 1.00 36.86 O HETATM 1837 O HOH 75 16.503 36.619 -2.006 1.00 41.61 O HETATM 1838 O HOH 76 37.129 18.641 -19.220 1.00 39.63 O HETATM 1839 O HOH 77 38.455 17.263 -9.597 1.00 38.54 O HETATM 1840 O HOH 78 5.647 23.881 -8.217 1.00 41.61 O HETATM 1841 O HOH 79 13.368 36.227 16.319 1.00 38.03 O HETATM 1842 O HOH 80 12.535 28.328 -16.542 1.00 33.87 O HETATM 1843 O HOH 81 17.111 36.650 4.428 1.00 44.40 O HETATM 1844 O HOH 82 4.456 29.023 12.329 1.00 40.32 O HETATM 1845 O HOH 83 7.033 33.222 -12.654 1.00 41.30 O HETATM 1846 O HOH 84 2.751 29.648 -9.871 1.00 42.64 O HETATM 1847 O HOH 85 0.633 26.899 5.444 1.00 32.33 O HETATM 1848 O HOH 86 10.323 36.381 -2.308 1.00 35.62 O HETATM 1849 O HOH 87 1.735 21.178 -22.520 1.00 65.70 O HETATM 1850 O HOH 88 14.998 40.455 -6.903 1.00 57.71 O HETATM 1851 O HOH 89 -1.699 30.975 -9.668 1.00 47.26 O HETATM 1852 O HOH 90 17.187 36.096 7.283 1.00 32.69 O HETATM 1853 O HOH 91 2.377 16.415 -8.115 1.00 50.07 O HETATM 1854 O HOH 92 7.974 34.437 13.464 1.00 54.56 O HETATM 1855 O HOH 93 12.049 33.677 14.110 1.00 45.50 O HETATM 1856 O HOH 94 5.766 22.869 15.470 1.00 52.98 O HETATM 1857 O HOH 95 10.857 10.062 10.388 1.00 51.39 O HETATM 1858 O HOH 96 29.997 25.155 17.933 1.00 56.98 O HETATM 1859 O HOH 97 17.585 37.874 -8.987 1.00 48.49 O HETATM 1860 O HOH 98 7.983 7.942 0.028 1.00 50.47 O HETATM 1861 O HOH 99 17.298 26.642 20.035 1.00 51.83 O HETATM 1862 O HOH 100 17.106 12.518 -19.430 1.00 44.14 O HETATM 1863 O HOH 101 2.181 13.213 7.938 1.00 42.62 O HETATM 1864 O HOH 102 15.583 27.656 -20.821 1.00 53.01 O HETATM 1865 O HOH 103 7.771 25.969 -16.549 1.00 41.85 O HETATM 1866 O HOH 104 5.070 12.082 6.053 1.00 45.27 O HETATM 1867 O HOH 105 10.631 12.423 -15.040 1.00 49.29 O HETATM 1868 O HOH 106 11.896 39.147 3.090 1.00 46.83 O HETATM 1869 O HOH 107 15.033 8.629 -18.615 1.00 56.85 O HETATM 1870 O HOH 108 9.971 37.293 8.285 1.00 45.25 O HETATM 1871 O HOH 109 14.211 14.206 -19.812 1.00 48.30 O HETATM 1872 O HOH 110 2.269 22.000 -10.218 1.00 50.28 O HETATM 1873 O HOH 111 13.541 37.524 4.338 1.00 37.42 O HETATM 1874 O HOH 112 8.206 29.445 -14.986 1.00 51.63 O HETATM 1875 O HOH 113 3.628 18.050 13.412 1.00 51.00 O HETATM 1876 O HOH 114 3.668 15.541 -4.466 1.00 43.67 O HETATM 1877 O HOH 115 2.971 19.423 -6.209 1.00 42.41 O HETATM 1878 O HOH 116 4.264 24.842 -10.024 1.00 42.96 O HETATM 1879 O HOH 117 5.854 41.178 3.595 1.00 53.90 O HETATM 1880 O HOH 118 7.910 22.332 18.584 1.00 42.16 O HETATM 1881 O HOH 119 1.173 40.829 6.921 1.00 44.48 O HETATM 1882 O HOH 120 20.991 28.071 -17.114 1.00 28.93 O HETATM 1883 O HOH 121 12.546 35.214 -18.659 1.00 52.35 O HETATM 1884 O HOH 122 2.695 31.488 12.360 1.00 56.10 O HETATM 1885 O HOH 123 12.071 40.074 -6.904 1.00 50.58 O HETATM 1886 O HOH 124 10.113 29.561 -17.658 1.00 46.68 O HETATM 1887 O HOH 125 -0.094 28.845 -11.663 1.00 50.67 O HETATM 1888 O HOH 126 18.320 33.712 -15.952 1.00 29.30 O HETATM 1889 O HOH 127 16.906 24.880 22.493 1.00 59.05 O HETATM 1890 O HOH 128 14.212 33.509 12.579 1.00 32.31 O HETATM 1891 O HOH 129 1.988 28.331 1.927 1.00 29.30 O HETATM 1892 O HOH 130 9.631 37.733 -10.103 1.00 56.54 O HETATM 1893 O HOH 131 6.245 17.567 -15.828 1.00 53.89 O HETATM 1894 O HOH 132 16.048 34.993 -16.328 1.00 45.71 O HETATM 1895 O HOH 133 15.085 34.825 10.495 1.00 29.43 O HETATM 1896 O HOH 134 -2.839 26.142 9.199 1.00 38.84 O HETATM 1897 O HOH 135 22.550 33.422 6.349 1.00 22.88 O HETATM 1898 O HOH 136 0.594 19.134 6.289 1.00 34.75 O HETATM 1899 O HOH 137 15.992 33.906 8.527 1.00 26.01 O HETATM 1900 O HOH 138 17.583 34.045 1.655 1.00 39.35 O HETATM 1901 O HOH 139 -0.235 15.690 11.339 1.00 58.35 O HETATM 1902 O HOH 140 11.189 27.524 -18.208 1.00 40.61 O HETATM 1903 CN DTB A 141 15.489 28.878 -8.545 1.00 0.26 C HETATM 1904 O DTB A 141 14.231 29.107 -8.263 1.00 -0.40 O HETATM 1905 N2 DTB A 141 15.920 28.342 -9.628 1.00 -0.27 N HETATM 1906 CR DTB A 141 17.393 28.473 -9.730 1.00 0.06 C HETATM 1907 CS DTB A 141 17.761 28.946 -8.301 1.00 0.06 C HETATM 1908 N1 DTB A 141 16.459 29.248 -7.717 1.00 -0.27 N HETATM 1909 H4 DTB A 141 16.317 29.672 -6.823 1.00 0.18 H HETATM 1910 CT DTB A 141 18.475 27.890 -7.480 1.00 -0.04 C HETATM 1911 H5 DTB A 141 18.704 28.294 -6.483 1.00 0.03 H HETATM 1912 H6 DTB A 141 19.410 27.604 -7.984 1.00 0.03 H HETATM 1913 H7 DTB A 141 17.829 27.006 -7.378 1.00 0.03 H HETATM 1914 H3 DTB A 141 18.391 29.847 -8.347 1.00 0.06 H HETATM 1915 CE DTB A 141 17.933 27.107 -10.158 1.00 -0.03 C HETATM 1916 CD DTB A 141 17.557 26.789 -11.612 1.00 -0.05 C HETATM 1917 CG DTB A 141 18.329 25.581 -12.159 1.00 -0.05 C HETATM 1918 CB DTB A 141 17.602 25.007 -13.387 1.00 -0.04 C HETATM 1919 CA DTB A 141 18.439 23.893 -14.062 1.00 0.00 C HETATM 1920 C DTB A 141 19.753 24.410 -14.620 1.00 0.03 C HETATM 1921 OI1 DTB A 141 20.820 23.792 -14.399 1.00 -0.57 O HETATM 1922 OI2 DTB A 141 19.737 25.441 -15.361 1.00 -0.57 O HETATM 1923 H16 DTB A 141 17.852 23.461 -14.886 1.00 0.04 H HETATM 1924 H17 DTB A 141 18.655 23.113 -13.317 1.00 0.04 H HETATM 1925 H14 DTB A 141 17.429 25.816 -14.112 1.00 0.03 H HETATM 1926 H15 DTB A 141 16.636 24.587 -13.069 1.00 0.03 H HETATM 1927 H12 DTB A 141 18.395 24.807 -11.380 1.00 0.03 H HETATM 1928 H13 DTB A 141 19.342 25.897 -12.450 1.00 0.03 H HETATM 1929 H10 DTB A 141 17.783 27.666 -12.236 1.00 0.03 H HETATM 1930 H11 DTB A 141 16.480 26.572 -11.660 1.00 0.03 H HETATM 1931 H8 DTB A 141 17.510 26.333 -9.501 1.00 0.03 H HETATM 1932 H9 DTB A 141 19.029 27.109 -10.064 1.00 0.03 H HETATM 1933 H2 DTB A 141 17.694 29.229 -10.470 1.00 0.06 H HETATM 1934 H1 DTB A 141 15.341 27.896 -10.311 1.00 0.18 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 20 21 33 34 35 CONECT 33 20 CONECT 34 20 CONECT 35 20 CONECT 1903 1904 1905 1908 CONECT 1904 1903 CONECT 1905 1903 1906 1934 CONECT 1906 1905 1907 1915 1933 CONECT 1907 1906 1908 1910 1914 CONECT 1908 1903 1907 1909 CONECT 1909 1908 CONECT 1910 1907 1911 1912 1913 CONECT 1911 1910 CONECT 1912 1910 CONECT 1913 1910 CONECT 1914 1907 CONECT 1915 1906 1916 1931 1932 CONECT 1916 1915 1917 1929 1930 CONECT 1917 1916 1918 1927 1928 CONECT 1918 1917 1919 1925 1926 CONECT 1919 1918 1920 1923 1924 CONECT 1920 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 CONECT 1923 1919 CONECT 1924 1919 CONECT 1925 1918 CONECT 1926 1918 CONECT 1927 1917 CONECT 1928 1917 CONECT 1929 1916 CONECT 1930 1916 CONECT 1931 1915 CONECT 1932 1915 CONECT 1933 1906 CONECT 1934 1905 MASTER 0 0 0 0 0 0 0 0 1932 2 40 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3rdq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3rdo
RCSB PDB
PDBbind
153aa, >3RDO_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3rdq
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
R7-2 streptavidin
Ligand Name
DTB
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.49nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Protein Sci. Vol. 20: pp. 1145-1154
Ligand Properties
Formula
C
1
0
H
1
8
N
2
O
3
Molecular Weight
214.262
Exact Mass
214.132
No. of atoms
33
No. of bonds
33
Polar Surface Area
78.43
LOGP Value
2.20 (
Computed with XLOGP3
)
1.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChI String
InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/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):
P22629
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓