Browse entries in the PDBbind-CN Database
HEADER 1T37_COMPLEX COMPND 1T37_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 ASN LEU TYR GLN PHE LYS ASN MET ILE GLN CYS THR VAL SEQRES 2 A 119 PRO SER ARG SER TRP ALA ASP PHE ALA ASP TYR GLY CYS SEQRES 3 A 119 TYR CYS GLY LYS GLY GLY SER GLY THR PRO VAL ASP ASP SEQRES 4 A 119 LEU ASP ARG CYS CYS GLN THR HIS ASP ASN CYS TYR ASN SEQRES 5 A 119 GLU ALA GLU ASN ILE SER GLY CYS ARG PRO TYR PHE LYS SEQRES 6 A 119 THR TYR SER TYR GLU CYS THR GLN GLY THR LEU THR CYS SEQRES 7 A 119 LYS GLY ASP ASN ASN ALA CYS ALA ALA SER VAL CYS ASP SEQRES 8 A 119 CYS ASP ARG LEU ALA ALA ILE CYS PHE ALA GLY ALA PRO SEQRES 9 A 119 TYR ASN ASP ASP ASN TYR ASN ILE ASP LEU LYS ALA ARG SEQRES 10 A 119 CYS ASN HET LEU A 175 85 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 11 CYS A 72 SSBOND 3 CYS A 61 CYS A 86 SSBOND 4 CYS A 79 CYS A 91 SSBOND 5 CYS A 51 CYS A 93 SSBOND 6 CYS A 44 CYS A 100 SSBOND 7 CYS A 27 CYS A 119 ATOM 1 N ASN A 1 43.793 28.513 -9.831 1.00 21.19 N ATOM 2 CA ASN A 1 42.470 29.188 -9.987 1.00 26.44 C ATOM 3 C ASN A 1 41.465 28.636 -8.984 1.00 27.35 C ATOM 4 O ASN A 1 41.707 27.610 -8.351 1.00 27.85 O ATOM 5 CB ASN A 1 41.935 28.988 -11.403 1.00 25.41 C ATOM 6 CG ASN A 1 41.748 27.533 -11.747 1.00 28.43 C ATOM 7 OD1 ASN A 1 41.040 26.808 -11.048 1.00 28.39 O ATOM 8 ND2 ASN A 1 42.382 27.093 -12.830 1.00 30.56 N ATOM 9 HA ASN A 1 42.610 30.253 -9.802 1.00 0.00 H ATOM 10 HB2 ASN A 1 40.974 29.495 -11.489 1.00 0.00 H ATOM 11 HB3 ASN A 1 42.640 29.427 -12.109 1.00 0.00 H ATOM 12 HD22 ASN A 1 42.969 27.744 -13.389 1.00 0.00 H ATOM 13 HD21 ASN A 1 42.290 26.098 -13.118 1.00 0.00 H ATOM 14 HN3 ASN A 1 43.681 27.492 -9.993 1.00 0.00 H ATOM 15 HN2 ASN A 1 44.152 28.676 -8.869 1.00 0.00 H ATOM 16 HN1 ASN A 1 44.464 28.903 -10.523 1.00 0.00 H ATOM 17 N LEU A 2 40.329 29.311 -8.854 1.00 29.55 N ATOM 18 CA LEU A 2 39.302 28.899 -7.901 1.00 30.45 C ATOM 19 C LEU A 2 38.876 27.442 -7.977 1.00 27.57 C ATOM 20 O LEU A 2 38.577 26.836 -6.953 1.00 25.74 O ATOM 21 CB LEU A 2 38.113 29.844 -8.022 1.00 30.15 C ATOM 22 CG LEU A 2 38.133 31.014 -7.029 1.00 36.13 C ATOM 23 CD1 LEU A 2 39.487 31.711 -7.037 1.00 31.23 C ATOM 24 CD2 LEU A 2 37.017 32.001 -7.339 1.00 35.37 C ATOM 25 HA LEU A 2 39.754 28.970 -6.912 1.00 0.00 H ATOM 26 HB2 LEU A 2 38.103 30.253 -9.032 1.00 0.00 H ATOM 27 HB3 LEU A 2 37.202 29.270 -7.855 1.00 0.00 H ATOM 28 HG LEU A 2 37.966 30.612 -6.029 1.00 0.00 H ATOM 29 HD21 LEU A 2 37.149 32.392 -8.348 1.00 0.00 H ATOM 30 HD22 LEU A 2 36.055 31.494 -7.268 1.00 0.00 H ATOM 31 HD23 LEU A 2 37.050 32.822 -6.623 1.00 0.00 H ATOM 32 HD11 LEU A 2 40.263 30.999 -6.756 1.00 0.00 H ATOM 33 HD12 LEU A 2 39.690 32.096 -8.036 1.00 0.00 H ATOM 34 HD13 LEU A 2 39.474 32.536 -6.325 1.00 0.00 H ATOM 35 H LEU A 2 40.167 30.152 -9.444 1.00 0.00 H ATOM 36 N TYR A 3 38.836 26.884 -9.182 1.00 23.51 N ATOM 37 CA TYR A 3 38.506 25.486 -9.343 1.00 19.89 C ATOM 38 C TYR A 3 39.525 24.681 -8.526 1.00 15.96 C ATOM 39 O TYR A 3 39.163 23.756 -7.795 1.00 13.15 O ATOM 40 CB TYR A 3 38.540 25.094 -10.821 1.00 24.65 C ATOM 41 CG TYR A 3 38.376 23.616 -11.068 1.00 27.79 C ATOM 42 CD1 TYR A 3 37.171 22.991 -10.749 1.00 27.12 C ATOM 43 CD2 TYR A 3 39.403 22.837 -11.598 1.00 28.79 C ATOM 44 CE1 TYR A 3 36.992 21.635 -10.948 1.00 25.67 C ATOM 45 CE2 TYR A 3 39.232 21.475 -11.801 1.00 31.17 C ATOM 46 CZ TYR A 3 38.021 20.883 -11.473 1.00 28.31 C ATOM 47 OH TYR A 3 37.833 19.537 -11.680 1.00 35.99 O ATOM 48 HA TYR A 3 37.496 25.280 -8.987 1.00 0.00 H ATOM 49 HB3 TYR A 3 39.498 25.407 -11.237 1.00 0.00 H ATOM 50 HB2 TYR A 3 37.734 25.619 -11.334 1.00 0.00 H ATOM 51 HD2 TYR A 3 40.353 23.304 -11.857 1.00 0.00 H ATOM 52 HE2 TYR A 3 40.043 20.875 -12.215 1.00 0.00 H ATOM 53 HE1 TYR A 3 36.043 21.163 -10.691 1.00 0.00 H ATOM 54 HD1 TYR A 3 36.355 23.583 -10.335 1.00 0.00 H ATOM 55 HH TYR A 3 36.920 19.285 -11.393 1.00 0.00 H ATOM 56 H TYR A 3 39.045 27.461 -10.021 1.00 0.00 H ATOM 57 N GLN A 4 40.796 25.064 -8.647 1.00 12.68 N ATOM 58 CA GLN A 4 41.896 24.423 -7.930 1.00 12.37 C ATOM 59 C GLN A 4 41.846 24.733 -6.426 1.00 14.84 C ATOM 60 O GLN A 4 42.142 23.868 -5.601 1.00 16.02 O ATOM 61 CB GLN A 4 43.238 24.841 -8.536 1.00 6.25 C ATOM 62 CG GLN A 4 43.366 24.539 -10.043 1.00 6.59 C ATOM 63 CD GLN A 4 44.612 25.126 -10.680 1.00 16.24 C ATOM 64 OE1 GLN A 4 44.744 26.335 -10.836 1.00 22.98 O ATOM 65 NE2 GLN A 4 45.668 24.439 -11.112 1.00 12.44 N ATOM 66 HA GLN A 4 41.788 23.344 -8.039 1.00 0.00 H ATOM 67 HB2 GLN A 4 43.362 25.914 -8.389 1.00 0.00 H ATOM 68 HB3 GLN A 4 44.032 24.310 -8.011 1.00 0.00 H ATOM 69 HG2 GLN A 4 43.388 23.457 -10.177 1.00 0.00 H ATOM 70 HG3 GLN A 4 42.494 24.949 -10.552 1.00 0.00 H ATOM 71 HE22 GLN A 4 45.680 23.402 -11.036 1.00 0.00 H ATOM 72 HE21 GLN A 4 46.480 24.940 -11.525 1.00 0.00 H ATOM 73 H GLN A 4 41.015 25.857 -9.283 1.00 0.00 H ATOM 74 N PHE A 5 41.478 25.967 -6.074 1.00 19.51 N ATOM 75 CA PHE A 5 41.363 26.377 -4.670 1.00 22.65 C ATOM 76 C PHE A 5 40.275 25.477 -4.076 1.00 24.79 C ATOM 77 O PHE A 5 40.398 24.977 -2.951 1.00 22.97 O ATOM 78 CB PHE A 5 40.969 27.870 -4.591 1.00 24.94 C ATOM 79 CG PHE A 5 40.885 28.431 -3.180 1.00 27.97 C ATOM 80 CD1 PHE A 5 41.791 28.042 -2.193 1.00 28.34 C ATOM 81 CD2 PHE A 5 39.917 29.390 -2.854 1.00 27.66 C ATOM 82 CE1 PHE A 5 41.737 28.601 -0.898 1.00 27.57 C ATOM 83 CE2 PHE A 5 39.855 29.958 -1.560 1.00 26.83 C ATOM 84 CZ PHE A 5 40.767 29.559 -0.584 1.00 24.28 C ATOM 85 HA PHE A 5 42.300 26.273 -4.123 1.00 0.00 H ATOM 86 HB2 PHE A 5 41.711 28.447 -5.143 1.00 0.00 H ATOM 87 HB3 PHE A 5 39.994 27.990 -5.063 1.00 0.00 H ATOM 88 HD2 PHE A 5 39.199 29.704 -3.611 1.00 0.00 H ATOM 89 HE2 PHE A 5 39.097 30.705 -1.327 1.00 0.00 H ATOM 90 HZ PHE A 5 40.725 29.990 0.416 1.00 0.00 H ATOM 91 HE1 PHE A 5 42.454 28.285 -0.140 1.00 0.00 H ATOM 92 HD1 PHE A 5 42.551 27.296 -2.425 1.00 0.00 H ATOM 93 H PHE A 5 41.266 26.660 -6.819 1.00 0.00 H ATOM 94 N LYS A 6 39.225 25.264 -4.869 1.00 26.32 N ATOM 95 CA LYS A 6 38.089 24.415 -4.504 1.00 29.49 C ATOM 96 C LYS A 6 38.597 23.038 -4.154 1.00 27.81 C ATOM 97 O LYS A 6 38.299 22.487 -3.096 1.00 27.20 O ATOM 98 CB LYS A 6 37.133 24.270 -5.688 1.00 35.76 C ATOM 99 CG LYS A 6 35.961 23.324 -5.438 1.00 43.01 C ATOM 100 CD LYS A 6 35.084 23.168 -6.689 1.00 49.77 C ATOM 101 CE LYS A 6 35.733 22.280 -7.756 1.00 53.11 C ATOM 102 NZ LYS A 6 35.703 20.816 -7.405 1.00 53.00 N ATOM 103 HA LYS A 6 37.570 24.871 -3.661 1.00 0.00 H ATOM 104 HB2 LYS A 6 36.732 25.255 -5.926 1.00 0.00 H ATOM 105 HB3 LYS A 6 37.699 23.894 -6.540 1.00 0.00 H ATOM 106 HG2 LYS A 6 36.350 22.346 -5.154 1.00 0.00 H ATOM 107 HG3 LYS A 6 35.352 23.721 -4.626 1.00 0.00 H ATOM 108 HD2 LYS A 6 34.133 22.724 -6.396 1.00 0.00 H ATOM 109 HD3 LYS A 6 34.906 24.155 -7.116 1.00 0.00 H ATOM 110 HE2 LYS A 6 36.772 22.587 -7.878 1.00 0.00 H ATOM 111 HE3 LYS A 6 35.201 22.422 -8.697 1.00 0.00 H ATOM 112 HZ1 LYS A 6 36.216 20.664 -6.513 1.00 0.00 H ATOM 113 HZ2 LYS A 6 34.716 20.507 -7.295 1.00 0.00 H ATOM 114 HZ3 LYS A 6 36.156 20.269 -8.165 1.00 0.00 H ATOM 115 H LYS A 6 39.212 25.727 -5.800 1.00 0.00 H ATOM 116 N ASN A 7 39.358 22.483 -5.085 1.00 27.52 N ATOM 117 CA ASN A 7 39.926 21.164 -4.921 1.00 27.69 C ATOM 118 C ASN A 7 40.927 21.111 -3.788 1.00 26.06 C ATOM 119 O ASN A 7 41.142 20.049 -3.207 1.00 25.41 O ATOM 120 CB ASN A 7 40.567 20.716 -6.229 1.00 28.71 C ATOM 121 CG ASN A 7 39.571 20.051 -7.153 1.00 33.29 C ATOM 122 OD1 ASN A 7 39.271 18.861 -7.005 1.00 33.75 O ATOM 123 ND2 ASN A 7 39.033 20.817 -8.101 1.00 33.31 N ATOM 124 HA ASN A 7 39.118 20.480 -4.660 1.00 0.00 H ATOM 125 HB2 ASN A 7 40.986 21.588 -6.732 1.00 0.00 H ATOM 126 HB3 ASN A 7 41.366 20.009 -6.005 1.00 0.00 H ATOM 127 HD22 ASN A 7 39.317 21.814 -8.187 1.00 0.00 H ATOM 128 HD21 ASN A 7 38.329 20.418 -8.755 1.00 0.00 H ATOM 129 H ASN A 7 39.553 23.011 -5.959 1.00 0.00 H ATOM 130 N MET A 8 41.538 22.249 -3.468 1.00 23.43 N ATOM 131 CA MET A 8 42.498 22.281 -2.376 1.00 23.95 C ATOM 132 C MET A 8 41.742 22.120 -1.068 1.00 27.95 C ATOM 133 O MET A 8 42.096 21.294 -0.219 1.00 27.19 O ATOM 134 CB MET A 8 43.254 23.604 -2.350 1.00 24.53 C ATOM 135 CG MET A 8 44.456 23.666 -3.268 1.00 23.42 C ATOM 136 SD MET A 8 45.600 24.955 -2.708 1.00 22.22 S ATOM 137 CE MET A 8 46.894 24.862 -3.977 1.00 20.73 C ATOM 138 HA MET A 8 43.219 21.475 -2.514 1.00 0.00 H ATOM 139 HB2 MET A 8 42.563 24.395 -2.641 1.00 0.00 H ATOM 140 HB3 MET A 8 43.596 23.779 -1.330 1.00 0.00 H ATOM 141 HG2 MET A 8 44.125 23.893 -4.281 1.00 0.00 H ATOM 142 HG3 MET A 8 44.966 22.703 -3.261 1.00 0.00 H ATOM 143 HE1 MET A 8 47.332 23.864 -3.975 1.00 0.00 H ATOM 144 HE2 MET A 8 46.458 25.066 -4.955 1.00 0.00 H ATOM 145 HE3 MET A 8 47.666 25.600 -3.761 1.00 0.00 H ATOM 146 H MET A 8 41.329 23.118 -4.000 1.00 0.00 H ATOM 147 N ILE A 9 40.697 22.928 -0.917 1.00 29.01 N ATOM 148 CA ILE A 9 39.854 22.902 0.270 1.00 28.30 C ATOM 149 C ILE A 9 39.295 21.498 0.504 1.00 27.37 C ATOM 150 O ILE A 9 39.271 21.003 1.631 1.00 25.26 O ATOM 151 CB ILE A 9 38.674 23.893 0.118 1.00 27.91 C ATOM 152 CG1 ILE A 9 39.207 25.328 0.031 1.00 33.35 C ATOM 153 CG2 ILE A 9 37.721 23.759 1.290 1.00 27.56 C ATOM 154 CD1 ILE A 9 38.131 26.386 -0.202 1.00 27.80 C ATOM 155 HA ILE A 9 40.469 23.194 1.122 1.00 0.00 H ATOM 156 HB ILE A 9 38.132 23.659 -0.799 1.00 0.00 H ATOM 157 HG12 ILE A 9 39.717 25.560 0.966 1.00 0.00 H ATOM 158 HG13 ILE A 9 39.919 25.378 -0.792 1.00 0.00 H ATOM 159 HD11 ILE A 9 37.617 26.179 -1.141 1.00 0.00 H ATOM 160 HD12 ILE A 9 37.415 26.361 0.619 1.00 0.00 H ATOM 161 HD13 ILE A 9 38.596 27.371 -0.250 1.00 0.00 H ATOM 162 HG21 ILE A 9 37.331 22.742 1.325 1.00 0.00 H ATOM 163 HG22 ILE A 9 38.253 23.977 2.216 1.00 0.00 H ATOM 164 HG23 ILE A 9 36.897 24.462 1.169 1.00 0.00 H ATOM 165 H ILE A 9 40.473 23.604 -1.675 1.00 0.00 H ATOM 166 N GLN A 10 38.852 20.863 -0.575 1.00 27.96 N ATOM 167 CA GLN A 10 38.276 19.527 -0.505 1.00 33.06 C ATOM 168 C GLN A 10 39.249 18.429 -0.077 1.00 33.36 C ATOM 169 O GLN A 10 38.833 17.325 0.280 1.00 28.75 O ATOM 170 CB GLN A 10 37.676 19.151 -1.860 1.00 35.19 C ATOM 171 CG GLN A 10 36.423 19.917 -2.224 1.00 42.33 C ATOM 172 CD GLN A 10 35.809 19.420 -3.518 1.00 47.79 C ATOM 173 OE1 GLN A 10 34.746 19.883 -3.936 1.00 49.36 O ATOM 174 NE2 GLN A 10 36.479 18.470 -4.163 1.00 52.39 N ATOM 175 HA GLN A 10 37.515 19.583 0.273 1.00 0.00 H ATOM 176 HB2 GLN A 10 38.426 19.338 -2.629 1.00 0.00 H ATOM 177 HB3 GLN A 10 37.433 18.089 -1.842 1.00 0.00 H ATOM 178 HG2 GLN A 10 35.694 19.802 -1.422 1.00 0.00 H ATOM 179 HG3 GLN A 10 36.675 20.972 -2.336 1.00 0.00 H ATOM 180 HE22 GLN A 10 37.373 18.108 -3.773 1.00 0.00 H ATOM 181 HE21 GLN A 10 36.109 18.089 -5.057 1.00 0.00 H ATOM 182 H GLN A 10 38.918 21.335 -1.499 1.00 0.00 H ATOM 183 N CYS A 11 40.540 18.722 -0.107 1.00 34.47 N ATOM 184 CA CYS A 11 41.506 17.707 0.259 1.00 39.64 C ATOM 185 C CYS A 11 42.163 17.959 1.608 1.00 42.20 C ATOM 186 O CYS A 11 42.873 17.100 2.128 1.00 45.88 O ATOM 187 CB CYS A 11 42.565 17.581 -0.836 1.00 41.07 C ATOM 188 SG CYS A 11 43.997 18.679 -0.651 1.00 45.98 S ATOM 189 HA CYS A 11 40.959 16.769 0.358 1.00 0.00 H ATOM 190 HB2 CYS A 11 42.091 17.802 -1.792 1.00 0.00 H ATOM 191 HB3 CYS A 11 42.926 16.553 -0.840 1.00 0.00 H ATOM 192 H CYS A 11 40.857 19.671 -0.390 1.00 0.00 H ATOM 193 N THR A 12 41.938 19.133 2.180 1.00 41.44 N ATOM 194 CA THR A 12 42.520 19.423 3.479 1.00 44.75 C ATOM 195 C THR A 12 41.404 19.395 4.508 1.00 46.13 C ATOM 196 O THR A 12 41.638 19.151 5.692 1.00 47.27 O ATOM 197 CB THR A 12 43.204 20.807 3.507 1.00 47.40 C ATOM 198 OG1 THR A 12 42.253 21.822 3.163 1.00 53.16 O ATOM 199 CG2 THR A 12 44.356 20.852 2.523 1.00 46.58 C ATOM 200 HA THR A 12 43.283 18.676 3.697 1.00 0.00 H ATOM 201 HB THR A 12 43.588 20.982 4.512 1.00 0.00 H ATOM 202 HG1 THR A 12 41.900 21.648 2.255 1.00 0.00 H ATOM 203 HG23 THR A 12 45.083 20.081 2.781 1.00 0.00 H ATOM 204 HG21 THR A 12 43.979 20.675 1.516 1.00 0.00 H ATOM 205 HG22 THR A 12 44.832 21.831 2.568 1.00 0.00 H ATOM 206 H THR A 12 41.348 19.843 1.701 1.00 0.00 H ATOM 207 N VAL A 13 40.183 19.629 4.039 1.00 47.71 N ATOM 208 CA VAL A 13 39.020 19.645 4.915 1.00 49.55 C ATOM 209 C VAL A 13 37.899 18.771 4.342 1.00 51.98 C ATOM 210 O VAL A 13 36.853 19.271 3.931 1.00 53.50 O ATOM 211 CB VAL A 13 38.497 21.090 5.094 1.00 47.81 C ATOM 212 CG1 VAL A 13 37.643 21.183 6.344 1.00 47.00 C ATOM 213 CG2 VAL A 13 39.660 22.063 5.165 1.00 45.99 C ATOM 214 HA VAL A 13 39.325 19.248 5.883 1.00 0.00 H ATOM 215 HB VAL A 13 37.881 21.354 4.234 1.00 0.00 H ATOM 216 HG11 VAL A 13 36.796 20.503 6.255 1.00 0.00 H ATOM 217 HG12 VAL A 13 38.241 20.908 7.213 1.00 0.00 H ATOM 218 HG13 VAL A 13 37.281 22.204 6.460 1.00 0.00 H ATOM 219 HG21 VAL A 13 40.296 21.806 6.012 1.00 0.00 H ATOM 220 HG22 VAL A 13 40.238 22.004 4.243 1.00 0.00 H ATOM 221 HG23 VAL A 13 39.277 23.076 5.291 1.00 0.00 H ATOM 222 H VAL A 13 40.055 19.805 3.022 1.00 0.00 H ATOM 223 N PRO A 14 38.105 17.447 4.320 1.00 54.33 N ATOM 224 CA PRO A 14 37.127 16.486 3.797 1.00 58.06 C ATOM 225 C PRO A 14 35.702 16.601 4.353 1.00 61.34 C ATOM 226 O PRO A 14 34.742 16.797 3.605 1.00 61.86 O ATOM 227 CB PRO A 14 37.760 15.140 4.139 1.00 55.70 C ATOM 228 CG PRO A 14 39.218 15.424 4.050 1.00 53.89 C ATOM 229 CD PRO A 14 39.329 16.753 4.761 1.00 55.46 C ATOM 230 HA PRO A 14 36.955 16.657 2.734 1.00 0.00 H ATOM 231 HD3 PRO A 14 39.341 16.623 5.843 1.00 0.00 H ATOM 232 HD2 PRO A 14 40.223 17.294 4.451 1.00 0.00 H ATOM 233 HG3 PRO A 14 39.543 15.502 3.013 1.00 0.00 H ATOM 234 HG2 PRO A 14 39.802 14.655 4.555 1.00 0.00 H ATOM 235 HB2 PRO A 14 37.483 14.820 5.144 1.00 0.00 H ATOM 236 HB3 PRO A 14 37.465 14.374 3.421 1.00 0.00 H ATOM 237 N SER A 15 35.577 16.469 5.668 1.00 63.99 N ATOM 238 CA SER A 15 34.283 16.520 6.342 1.00 65.52 C ATOM 239 C SER A 15 33.398 17.731 6.052 1.00 67.10 C ATOM 240 O SER A 15 32.207 17.722 6.368 1.00 67.62 O ATOM 241 CB SER A 15 34.499 16.395 7.852 1.00 65.51 C ATOM 242 OG SER A 15 35.704 17.036 8.245 1.00 65.52 O ATOM 243 HA SER A 15 33.726 15.680 5.926 1.00 0.00 H ATOM 244 HB2 SER A 15 34.552 15.340 8.119 1.00 0.00 H ATOM 245 HB3 SER A 15 33.661 16.859 8.373 1.00 0.00 H ATOM 246 HG SER A 15 36.468 16.615 7.777 1.00 0.00 H ATOM 247 H SER A 15 36.433 16.324 6.240 1.00 0.00 H ATOM 248 N ARG A 17 33.960 18.761 5.434 1.00 68.46 N ATOM 249 CA ARG A 17 33.182 19.960 5.158 1.00 67.64 C ATOM 250 C ARG A 17 33.138 20.357 3.689 1.00 67.52 C ATOM 251 O ARG A 17 34.177 20.530 3.052 1.00 67.83 O ATOM 252 CB ARG A 17 33.738 21.118 5.985 1.00 67.56 C ATOM 253 CG ARG A 17 32.764 22.252 6.199 1.00 68.84 C ATOM 254 CD ARG A 17 33.042 22.929 7.525 1.00 68.32 C ATOM 255 NE ARG A 17 31.800 23.334 8.170 1.00 70.38 N ATOM 256 CZ ARG A 17 31.546 23.169 9.464 1.00 73.35 C ATOM 257 NH1 ARG A 17 32.451 22.607 10.257 1.00 73.55 N ATOM 258 NH2 ARG A 17 30.380 23.558 9.963 1.00 74.65 N ATOM 259 HA ARG A 17 32.153 19.729 5.435 1.00 0.00 H ATOM 260 HB2 ARG A 17 34.032 20.731 6.961 1.00 0.00 H ATOM 261 HB3 ARG A 17 34.615 21.513 5.473 1.00 0.00 H ATOM 262 HG2 ARG A 17 32.872 22.978 5.393 1.00 0.00 H ATOM 263 HG3 ARG A 17 31.747 21.860 6.200 1.00 0.00 H ATOM 264 HD2 ARG A 17 33.660 23.810 7.354 1.00 0.00 H ATOM 265 HD3 ARG A 17 33.573 22.235 8.176 1.00 0.00 H ATOM 266 HE ARG A 17 31.067 23.780 7.582 1.00 0.00 H ATOM 267 HH12 ARG A 17 32.248 22.480 11.269 1.00 0.00 H ATOM 268 HH11 ARG A 17 33.362 22.294 9.866 1.00 0.00 H ATOM 269 HH22 ARG A 17 30.179 23.430 10.975 1.00 0.00 H ATOM 270 HH21 ARG A 17 29.667 23.991 9.342 1.00 0.00 H ATOM 271 H ARG A 17 34.958 18.712 5.146 1.00 0.00 H ATOM 272 N SER A 18 31.929 20.499 3.154 1.00 66.62 N ATOM 273 CA SER A 18 31.767 20.910 1.768 1.00 66.06 C ATOM 274 C SER A 18 32.435 22.273 1.611 1.00 64.98 C ATOM 275 O SER A 18 32.395 23.100 2.524 1.00 65.76 O ATOM 276 CB SER A 18 30.282 21.019 1.417 1.00 66.39 C ATOM 277 OG SER A 18 30.102 21.618 0.144 1.00 66.89 O ATOM 278 HA SER A 18 32.220 20.177 1.101 1.00 0.00 H ATOM 279 HB2 SER A 18 29.781 21.626 2.171 1.00 0.00 H ATOM 280 HB3 SER A 18 29.844 20.021 1.407 1.00 0.00 H ATOM 281 HG SER A 18 29.135 21.676 -0.058 1.00 0.00 H ATOM 282 H SER A 18 31.087 20.313 3.735 1.00 0.00 H ATOM 283 N TRP A 19 33.054 22.504 0.460 1.00 62.79 N ATOM 284 CA TRP A 19 33.726 23.771 0.201 1.00 60.11 C ATOM 285 C TRP A 19 32.745 24.943 0.223 1.00 58.46 C ATOM 286 O TRP A 19 33.122 26.066 0.555 1.00 57.61 O ATOM 287 CB TRP A 19 34.410 23.728 -1.159 1.00 60.97 C ATOM 288 CG TRP A 19 33.443 23.455 -2.254 1.00 63.87 C ATOM 289 CD1 TRP A 19 33.028 22.234 -2.694 1.00 63.94 C ATOM 290 CD2 TRP A 19 32.723 24.427 -3.021 1.00 65.74 C ATOM 291 NE1 TRP A 19 32.093 22.383 -3.691 1.00 66.15 N ATOM 292 CE2 TRP A 19 31.887 23.720 -3.911 1.00 65.41 C ATOM 293 CE3 TRP A 19 32.699 25.829 -3.040 1.00 65.61 C ATOM 294 CZ2 TRP A 19 31.039 24.365 -4.815 1.00 65.28 C ATOM 295 CZ3 TRP A 19 31.857 26.471 -3.939 1.00 66.23 C ATOM 296 CH2 TRP A 19 31.038 25.738 -4.814 1.00 66.24 C ATOM 297 HA TRP A 19 34.463 23.918 0.991 1.00 0.00 H ATOM 298 HB2 TRP A 19 34.890 24.689 -1.343 1.00 0.00 H ATOM 299 HB3 TRP A 19 35.165 22.942 -1.150 1.00 0.00 H ATOM 300 HE1 TRP A 19 31.619 21.607 -4.196 1.00 0.00 H ATOM 301 HD1 TRP A 19 33.385 21.278 -2.311 1.00 0.00 H ATOM 302 HZ2 TRP A 19 30.402 23.799 -5.495 1.00 0.00 H ATOM 303 HH2 TRP A 19 30.387 26.271 -5.507 1.00 0.00 H ATOM 304 HZ3 TRP A 19 31.831 27.560 -3.966 1.00 0.00 H ATOM 305 HE3 TRP A 19 33.329 26.404 -2.362 1.00 0.00 H ATOM 306 H TRP A 19 33.060 21.766 -0.272 1.00 0.00 H ATOM 307 N ALA A 20 31.492 24.682 -0.140 1.00 57.98 N ATOM 308 CA ALA A 20 30.473 25.729 -0.165 1.00 57.88 C ATOM 309 C ALA A 20 30.430 26.450 1.177 1.00 57.98 C ATOM 310 O ALA A 20 30.292 27.672 1.234 1.00 59.16 O ATOM 311 CB ALA A 20 29.104 25.132 -0.491 1.00 55.20 C ATOM 312 HA ALA A 20 30.730 26.449 -0.942 1.00 0.00 H ATOM 313 HB1 ALA A 20 29.143 24.650 -1.468 1.00 0.00 H ATOM 314 HB2 ALA A 20 28.840 24.396 0.269 1.00 0.00 H ATOM 315 HB3 ALA A 20 28.357 25.926 -0.505 1.00 0.00 H ATOM 316 H ALA A 20 31.232 23.712 -0.412 1.00 0.00 H ATOM 317 N ASP A 21 30.556 25.680 2.253 1.00 58.41 N ATOM 318 CA ASP A 21 30.551 26.210 3.616 1.00 57.20 C ATOM 319 C ASP A 21 31.457 27.434 3.795 1.00 54.37 C ATOM 320 O ASP A 21 31.261 28.228 4.712 1.00 55.17 O ATOM 321 CB ASP A 21 31.002 25.116 4.596 1.00 59.18 C ATOM 322 CG ASP A 21 29.945 24.044 4.819 1.00 62.44 C ATOM 323 OD1 ASP A 21 29.144 23.785 3.894 1.00 63.67 O ATOM 324 OD2 ASP A 21 29.927 23.450 5.920 1.00 62.61 O ATOM 325 HA ASP A 21 29.529 26.528 3.820 1.00 0.00 H ATOM 326 HB2 ASP A 21 31.899 24.642 4.199 1.00 0.00 H ATOM 327 HB3 ASP A 21 31.233 25.581 5.554 1.00 0.00 H ATOM 328 H ASP A 21 30.663 24.654 2.120 1.00 0.00 H ATOM 329 N PHE A 22 32.444 27.585 2.916 1.00 50.98 N ATOM 330 CA PHE A 22 33.393 28.691 3.012 1.00 46.56 C ATOM 331 C PHE A 22 33.247 29.769 1.943 1.00 42.74 C ATOM 332 O PHE A 22 33.982 30.756 1.959 1.00 40.83 O ATOM 333 CB PHE A 22 34.823 28.145 2.943 1.00 46.60 C ATOM 334 CG PHE A 22 35.169 27.198 4.053 1.00 44.49 C ATOM 335 CD1 PHE A 22 35.477 27.675 5.325 1.00 43.49 C ATOM 336 CD2 PHE A 22 35.168 25.825 3.830 1.00 44.26 C ATOM 337 CE1 PHE A 22 35.782 26.795 6.363 1.00 42.87 C ATOM 338 CE2 PHE A 22 35.470 24.936 4.859 1.00 44.07 C ATOM 339 CZ PHE A 22 35.777 25.424 6.130 1.00 43.00 C ATOM 340 HA PHE A 22 33.172 29.169 3.966 1.00 0.00 H ATOM 341 HB2 PHE A 22 34.945 27.621 1.995 1.00 0.00 H ATOM 342 HB3 PHE A 22 35.514 28.987 2.983 1.00 0.00 H ATOM 343 HD2 PHE A 22 34.928 25.440 2.839 1.00 0.00 H ATOM 344 HE2 PHE A 22 35.467 23.862 4.672 1.00 0.00 H ATOM 345 HZ PHE A 22 36.012 24.732 6.938 1.00 0.00 H ATOM 346 HE1 PHE A 22 36.023 27.180 7.354 1.00 0.00 H ATOM 347 HD1 PHE A 22 35.480 28.749 5.511 1.00 0.00 H ATOM 348 H PHE A 22 32.542 26.898 2.141 1.00 0.00 H ATOM 349 N ALA A 23 32.308 29.588 1.021 1.00 41.14 N ATOM 350 CA ALA A 23 32.128 30.546 -0.069 1.00 39.68 C ATOM 351 C ALA A 23 31.332 31.797 0.276 1.00 39.99 C ATOM 352 O ALA A 23 31.243 32.717 -0.539 1.00 42.45 O ATOM 353 CB ALA A 23 31.497 29.851 -1.264 1.00 37.31 C ATOM 354 HA ALA A 23 33.132 30.904 -0.298 1.00 0.00 H ATOM 355 HB1 ALA A 23 32.147 29.042 -1.597 1.00 0.00 H ATOM 356 HB2 ALA A 23 30.527 29.444 -0.976 1.00 0.00 H ATOM 357 HB3 ALA A 23 31.365 30.570 -2.073 1.00 0.00 H ATOM 358 H ALA A 23 31.691 28.752 1.075 1.00 0.00 H ATOM 359 N ASP A 24 30.759 31.832 1.475 1.00 37.77 N ATOM 360 CA ASP A 24 29.972 32.981 1.925 1.00 37.38 C ATOM 361 C ASP A 24 30.008 33.012 3.446 1.00 35.32 C ATOM 362 O ASP A 24 29.018 32.689 4.098 1.00 34.25 O ATOM 363 CB ASP A 24 28.523 32.851 1.454 1.00 41.30 C ATOM 364 CG ASP A 24 27.658 34.016 1.898 1.00 47.40 C ATOM 365 OD1 ASP A 24 28.154 34.878 2.659 1.00 51.02 O ATOM 366 OD2 ASP A 24 26.479 34.067 1.485 1.00 51.44 O ATOM 367 HA ASP A 24 30.389 33.899 1.510 1.00 0.00 H ATOM 368 HB2 ASP A 24 28.513 32.803 0.365 1.00 0.00 H ATOM 369 HB3 ASP A 24 28.105 31.930 1.861 1.00 0.00 H ATOM 370 H ASP A 24 30.873 31.018 2.113 1.00 0.00 H ATOM 371 N TYR A 25 31.147 33.410 4.006 1.00 32.20 N ATOM 372 CA TYR A 25 31.306 33.442 5.450 1.00 28.29 C ATOM 373 C TYR A 25 31.973 34.718 5.957 1.00 25.40 C ATOM 374 O TYR A 25 32.833 35.298 5.291 1.00 22.36 O ATOM 375 CB TYR A 25 32.103 32.210 5.875 1.00 31.02 C ATOM 376 CG TYR A 25 32.283 32.025 7.364 1.00 34.78 C ATOM 377 CD1 TYR A 25 33.185 32.814 8.088 1.00 31.68 C ATOM 378 CD2 TYR A 25 31.585 31.025 8.044 1.00 33.56 C ATOM 379 CE1 TYR A 25 33.389 32.604 9.448 1.00 30.22 C ATOM 380 CE2 TYR A 25 31.784 30.807 9.404 1.00 29.24 C ATOM 381 CZ TYR A 25 32.685 31.594 10.095 1.00 29.17 C ATOM 382 OH TYR A 25 32.896 31.350 11.426 1.00 33.59 O ATOM 383 HA TYR A 25 30.313 33.433 5.898 1.00 0.00 H ATOM 384 HB3 TYR A 25 33.093 32.280 5.424 1.00 0.00 H ATOM 385 HB2 TYR A 25 31.590 31.330 5.488 1.00 0.00 H ATOM 386 HD2 TYR A 25 30.872 30.405 7.501 1.00 0.00 H ATOM 387 HE2 TYR A 25 31.233 30.021 9.920 1.00 0.00 H ATOM 388 HE1 TYR A 25 34.094 33.225 10.001 1.00 0.00 H ATOM 389 HD1 TYR A 25 33.736 33.605 7.578 1.00 0.00 H ATOM 390 HH TYR A 25 33.563 31.992 11.776 1.00 0.00 H ATOM 391 H TYR A 25 31.939 33.704 3.399 1.00 0.00 H ATOM 392 N GLY A 26 31.569 35.143 7.148 1.00 23.33 N ATOM 393 CA GLY A 26 32.126 36.349 7.727 1.00 26.62 C ATOM 394 C GLY A 26 32.078 37.509 6.753 1.00 25.13 C ATOM 395 O GLY A 26 31.147 37.621 5.955 1.00 24.60 O ATOM 396 HA3 GLY A 26 33.163 36.162 8.004 1.00 0.00 H ATOM 397 HA2 GLY A 26 31.555 36.611 8.618 1.00 0.00 H ATOM 398 H GLY A 26 30.847 34.606 7.670 1.00 0.00 H ATOM 399 N CYS A 27 33.088 38.370 6.816 1.00 26.47 N ATOM 400 CA CYS A 27 33.164 39.525 5.932 1.00 29.14 C ATOM 401 C CYS A 27 34.125 39.311 4.766 1.00 28.88 C ATOM 402 O CYS A 27 34.021 39.983 3.746 1.00 27.29 O ATOM 403 CB CYS A 27 33.612 40.763 6.714 1.00 31.34 C ATOM 404 SG CYS A 27 32.369 41.519 7.814 1.00 37.69 S ATOM 405 HA CYS A 27 32.163 39.669 5.525 1.00 0.00 H ATOM 406 HB2 CYS A 27 33.920 41.519 5.991 1.00 0.00 H ATOM 407 HB3 CYS A 27 34.468 40.478 7.326 1.00 0.00 H ATOM 408 H CYS A 27 33.843 38.215 7.514 1.00 0.00 H ATOM 409 N TYR A 28 35.054 38.370 4.915 1.00 32.00 N ATOM 410 CA TYR A 28 36.048 38.114 3.874 1.00 31.21 C ATOM 411 C TYR A 28 35.969 36.794 3.108 1.00 32.55 C ATOM 412 O TYR A 28 36.500 36.696 1.998 1.00 33.18 O ATOM 413 CB TYR A 28 37.450 38.266 4.462 1.00 26.72 C ATOM 414 CG TYR A 28 37.764 39.685 4.859 1.00 24.03 C ATOM 415 CD1 TYR A 28 37.320 40.208 6.071 1.00 25.26 C ATOM 416 CD2 TYR A 28 38.454 40.527 3.992 1.00 26.37 C ATOM 417 CE1 TYR A 28 37.554 41.543 6.410 1.00 23.09 C ATOM 418 CE2 TYR A 28 38.693 41.858 4.317 1.00 25.04 C ATOM 419 CZ TYR A 28 38.243 42.360 5.525 1.00 23.23 C ATOM 420 OH TYR A 28 38.501 43.670 5.848 1.00 17.83 O ATOM 421 HA TYR A 28 35.812 38.862 3.117 1.00 0.00 H ATOM 422 HB3 TYR A 28 38.178 37.943 3.717 1.00 0.00 H ATOM 423 HB2 TYR A 28 37.529 37.631 5.345 1.00 0.00 H ATOM 424 HD2 TYR A 28 38.814 40.136 3.040 1.00 0.00 H ATOM 425 HE2 TYR A 28 39.232 42.503 3.623 1.00 0.00 H ATOM 426 HE1 TYR A 28 37.199 41.939 7.361 1.00 0.00 H ATOM 427 HD1 TYR A 28 36.781 39.565 6.767 1.00 0.00 H ATOM 428 HH TYR A 28 38.116 43.871 6.737 1.00 0.00 H ATOM 429 H TYR A 28 35.073 37.806 5.789 1.00 0.00 H ATOM 430 N CYS A 29 35.327 35.780 3.679 1.00 30.91 N ATOM 431 CA CYS A 29 35.228 34.506 2.977 1.00 32.31 C ATOM 432 C CYS A 29 34.160 34.555 1.889 1.00 34.57 C ATOM 433 O CYS A 29 32.972 34.686 2.168 1.00 33.85 O ATOM 434 CB CYS A 29 34.907 33.365 3.942 1.00 27.45 C ATOM 435 SG CYS A 29 36.113 33.126 5.281 1.00 25.49 S ATOM 436 HA CYS A 29 36.199 34.322 2.516 1.00 0.00 H ATOM 437 HB2 CYS A 29 34.853 32.441 3.367 1.00 0.00 H ATOM 438 HB3 CYS A 29 33.936 33.567 4.394 1.00 0.00 H ATOM 439 H CYS A 29 34.898 35.894 4.620 1.00 0.00 H ATOM 440 N GLY A 30 34.589 34.461 0.641 1.00 38.04 N ATOM 441 CA GLY A 30 33.633 34.477 -0.442 1.00 44.59 C ATOM 442 C GLY A 30 33.330 35.851 -0.990 1.00 50.57 C ATOM 443 O GLY A 30 33.886 36.285 -2.003 1.00 49.15 O ATOM 444 HA3 GLY A 30 32.701 34.041 -0.081 1.00 0.00 H ATOM 445 HA2 GLY A 30 34.028 33.866 -1.254 1.00 0.00 H ATOM 446 H GLY A 30 35.606 34.376 0.441 1.00 0.00 H ATOM 447 N LYS A 31 32.420 36.540 -0.318 1.00 58.44 N ATOM 448 CA LYS A 31 32.025 37.872 -0.739 1.00 64.57 C ATOM 449 C LYS A 31 33.208 38.823 -0.641 1.00 64.25 C ATOM 450 O LYS A 31 34.239 38.475 -0.060 1.00 63.84 O ATOM 451 CB LYS A 31 30.875 38.369 0.142 1.00 70.66 C ATOM 452 CG LYS A 31 30.191 39.621 -0.383 1.00 76.73 C ATOM 453 CD LYS A 31 29.355 39.362 -1.634 1.00 80.42 C ATOM 454 CE LYS A 31 29.759 40.289 -2.775 1.00 82.12 C ATOM 455 NZ LYS A 31 28.721 40.398 -3.845 1.00 81.92 N ATOM 456 HA LYS A 31 31.691 37.836 -1.776 1.00 0.00 H ATOM 457 HB2 LYS A 31 30.131 37.576 0.214 1.00 0.00 H ATOM 458 HB3 LYS A 31 31.271 38.585 1.134 1.00 0.00 H ATOM 459 HG2 LYS A 31 29.538 40.014 0.397 1.00 0.00 H ATOM 460 HG3 LYS A 31 30.955 40.361 -0.622 1.00 0.00 H ATOM 461 HD2 LYS A 31 29.498 38.328 -1.949 1.00 0.00 H ATOM 462 HD3 LYS A 31 28.304 39.526 -1.399 1.00 0.00 H ATOM 463 HE2 LYS A 31 30.678 39.908 -3.221 1.00 0.00 H ATOM 464 HE3 LYS A 31 29.940 41.283 -2.366 1.00 0.00 H ATOM 465 HZ1 LYS A 31 28.545 39.458 -4.252 1.00 0.00 H ATOM 466 HZ2 LYS A 31 27.840 40.770 -3.435 1.00 0.00 H ATOM 467 HZ3 LYS A 31 29.058 41.042 -4.589 1.00 0.00 H ATOM 468 H LYS A 31 31.981 36.120 0.526 1.00 0.00 H ATOM 469 N GLY A 32 33.043 40.022 -1.197 1.00 66.00 N ATOM 470 CA GLY A 32 34.091 41.028 -1.174 1.00 66.73 C ATOM 471 C GLY A 32 34.991 41.058 0.050 1.00 66.50 C ATOM 472 O GLY A 32 35.946 40.294 0.146 1.00 68.60 O ATOM 473 HA3 GLY A 32 33.612 42.004 -1.255 1.00 0.00 H ATOM 474 HA2 GLY A 32 34.725 40.863 -2.045 1.00 0.00 H ATOM 475 H GLY A 32 32.139 40.244 -1.660 1.00 0.00 H ATOM 476 N GLY A 33 34.716 41.947 0.989 1.00 64.91 N ATOM 477 CA GLY A 33 35.567 42.026 2.162 1.00 61.62 C ATOM 478 C GLY A 33 35.160 43.320 2.819 1.00 60.27 C ATOM 479 O GLY A 33 33.967 43.609 2.847 1.00 60.10 O ATOM 480 HA3 GLY A 33 36.619 42.049 1.877 1.00 0.00 H ATOM 481 HA2 GLY A 33 35.390 41.181 2.827 1.00 0.00 H ATOM 482 H GLY A 33 33.899 42.583 0.888 1.00 0.00 H ATOM 483 N SER A 34 36.135 44.079 3.328 1.00 56.08 N ATOM 484 CA SER A 34 35.942 45.381 3.988 1.00 53.59 C ATOM 485 C SER A 34 35.411 45.365 5.426 1.00 50.34 C ATOM 486 O SER A 34 34.218 45.191 5.656 1.00 55.26 O ATOM 487 CB SER A 34 35.050 46.308 3.125 1.00 55.50 C ATOM 488 OG SER A 34 33.678 45.930 3.100 1.00 62.76 O ATOM 489 HA SER A 34 36.960 45.762 4.075 1.00 0.00 H ATOM 490 HB2 SER A 34 35.429 46.294 2.103 1.00 0.00 H ATOM 491 HB3 SER A 34 35.120 47.320 3.524 1.00 0.00 H ATOM 492 HG SER A 34 33.596 45.016 2.729 1.00 0.00 H ATOM 493 H SER A 34 37.109 43.721 3.252 1.00 0.00 H ATOM 494 N GLY A 35 36.290 45.594 6.397 1.00 45.34 N ATOM 495 CA GLY A 35 35.858 45.607 7.787 1.00 38.93 C ATOM 496 C GLY A 35 36.669 44.646 8.619 1.00 36.38 C ATOM 497 O GLY A 35 37.494 43.921 8.076 1.00 36.55 O ATOM 498 HA3 GLY A 35 34.807 45.321 7.836 1.00 0.00 H ATOM 499 HA2 GLY A 35 35.978 46.614 8.188 1.00 0.00 H ATOM 500 H GLY A 35 37.289 45.764 6.163 1.00 0.00 H ATOM 501 N THR A 36 36.455 44.633 9.928 1.00 34.12 N ATOM 502 CA THR A 36 37.205 43.724 10.790 1.00 32.60 C ATOM 503 C THR A 36 36.706 42.286 10.643 1.00 31.54 C ATOM 504 O THR A 36 35.504 42.034 10.683 1.00 29.68 O ATOM 505 CB THR A 36 37.093 44.159 12.258 1.00 29.50 C ATOM 506 OG1 THR A 36 37.704 45.445 12.413 1.00 33.97 O ATOM 507 CG2 THR A 36 37.784 43.163 13.167 1.00 26.82 C ATOM 508 HA THR A 36 38.250 43.763 10.481 1.00 0.00 H ATOM 509 HB THR A 36 36.039 44.206 12.532 1.00 0.00 H ATOM 510 HG1 THR A 36 37.634 45.730 13.358 1.00 0.00 H ATOM 511 HG23 THR A 36 37.320 42.184 13.050 1.00 0.00 H ATOM 512 HG21 THR A 36 38.839 43.101 12.900 1.00 0.00 H ATOM 513 HG22 THR A 36 37.688 43.491 14.202 1.00 0.00 H ATOM 514 H THR A 36 35.749 45.274 10.343 1.00 0.00 H ATOM 515 N PRO A 37 37.625 41.320 10.466 1.00 34.57 N ATOM 516 CA PRO A 37 37.183 39.923 10.320 1.00 34.72 C ATOM 517 C PRO A 37 36.357 39.497 11.528 1.00 34.74 C ATOM 518 O PRO A 37 36.777 39.693 12.670 1.00 36.51 O ATOM 519 CB PRO A 37 38.495 39.147 10.231 1.00 33.08 C ATOM 520 CG PRO A 37 39.437 40.136 9.610 1.00 32.49 C ATOM 521 CD PRO A 37 39.091 41.426 10.338 1.00 32.05 C ATOM 522 HA PRO A 37 36.542 39.756 9.455 1.00 0.00 H ATOM 523 HD3 PRO A 37 39.572 41.472 11.315 1.00 0.00 H ATOM 524 HD2 PRO A 37 39.376 42.300 9.753 1.00 0.00 H ATOM 525 HG3 PRO A 37 39.260 40.229 8.538 1.00 0.00 H ATOM 526 HG2 PRO A 37 40.475 39.853 9.782 1.00 0.00 H ATOM 527 HB2 PRO A 37 38.840 38.847 11.220 1.00 0.00 H ATOM 528 HB3 PRO A 37 38.385 38.263 9.602 1.00 0.00 H ATOM 529 N VAL A 38 35.187 38.917 11.286 1.00 33.36 N ATOM 530 CA VAL A 38 34.336 38.490 12.392 1.00 29.66 C ATOM 531 C VAL A 38 35.030 37.457 13.277 1.00 28.17 C ATOM 532 O VAL A 38 34.734 37.352 14.461 1.00 27.62 O ATOM 533 CB VAL A 38 33.007 37.915 11.882 1.00 27.80 C ATOM 534 CG1 VAL A 38 32.206 39.013 11.218 1.00 27.95 C ATOM 535 CG2 VAL A 38 33.270 36.775 10.905 1.00 25.13 C ATOM 536 HA VAL A 38 34.135 39.379 12.990 1.00 0.00 H ATOM 537 HB VAL A 38 32.436 37.519 12.722 1.00 0.00 H ATOM 538 HG11 VAL A 38 32.007 39.804 11.941 1.00 0.00 H ATOM 539 HG12 VAL A 38 32.773 39.419 10.380 1.00 0.00 H ATOM 540 HG13 VAL A 38 31.262 38.605 10.856 1.00 0.00 H ATOM 541 HG21 VAL A 38 33.847 37.149 10.059 1.00 0.00 H ATOM 542 HG22 VAL A 38 33.831 35.988 11.409 1.00 0.00 H ATOM 543 HG23 VAL A 38 32.320 36.376 10.550 1.00 0.00 H ATOM 544 H VAL A 38 34.876 38.767 10.305 1.00 0.00 H ATOM 545 N ASP A 39 35.941 36.683 12.704 1.00 26.44 N ATOM 546 CA ASP A 39 36.662 35.708 13.501 1.00 28.09 C ATOM 547 C ASP A 39 37.886 35.118 12.806 1.00 27.78 C ATOM 548 O ASP A 39 38.299 35.570 11.740 1.00 26.66 O ATOM 549 CB ASP A 39 35.727 34.585 13.969 1.00 28.80 C ATOM 550 CG ASP A 39 35.218 33.727 12.833 1.00 27.48 C ATOM 551 OD1 ASP A 39 35.888 33.658 11.780 1.00 30.85 O ATOM 552 OD2 ASP A 39 34.153 33.100 13.007 1.00 27.26 O ATOM 553 HA ASP A 39 37.037 36.259 14.364 1.00 0.00 H ATOM 554 HB2 ASP A 39 36.270 33.949 14.668 1.00 0.00 H ATOM 555 HB3 ASP A 39 34.872 35.033 14.476 1.00 0.00 H ATOM 556 H ASP A 39 36.138 36.774 11.687 1.00 0.00 H ATOM 557 N ASP A 40 38.467 34.106 13.430 1.00 27.30 N ATOM 558 CA ASP A 40 39.652 33.463 12.899 1.00 32.09 C ATOM 559 C ASP A 40 39.463 32.922 11.479 1.00 30.13 C ATOM 560 O ASP A 40 40.325 33.115 10.611 1.00 27.90 O ATOM 561 CB ASP A 40 40.074 32.351 13.853 1.00 37.97 C ATOM 562 CG ASP A 40 40.114 32.820 15.298 1.00 45.03 C ATOM 563 OD1 ASP A 40 40.921 33.724 15.618 1.00 44.03 O ATOM 564 OD2 ASP A 40 39.325 32.288 16.111 1.00 53.10 O ATOM 565 HA ASP A 40 40.436 34.217 12.823 1.00 0.00 H ATOM 566 HB2 ASP A 40 39.364 31.528 13.770 1.00 0.00 H ATOM 567 HB3 ASP A 40 41.067 32.002 13.569 1.00 0.00 H ATOM 568 H ASP A 40 38.063 33.763 14.325 1.00 0.00 H ATOM 569 N LEU A 41 38.341 32.249 11.238 1.00 26.53 N ATOM 570 CA LEU A 41 38.083 31.709 9.913 1.00 24.28 C ATOM 571 C LEU A 41 37.913 32.858 8.924 1.00 21.28 C ATOM 572 O LEU A 41 38.242 32.728 7.749 1.00 21.09 O ATOM 573 CB LEU A 41 36.836 30.819 9.914 1.00 24.15 C ATOM 574 CG LEU A 41 36.439 30.286 8.528 1.00 23.48 C ATOM 575 CD1 LEU A 41 37.616 29.548 7.900 1.00 22.74 C ATOM 576 CD2 LEU A 41 35.242 29.370 8.649 1.00 18.51 C ATOM 577 HA LEU A 41 38.931 31.093 9.614 1.00 0.00 H ATOM 578 HB2 LEU A 41 37.025 29.967 10.567 1.00 0.00 H ATOM 579 HB3 LEU A 41 36.002 31.399 10.309 1.00 0.00 H ATOM 580 HG LEU A 41 36.170 31.124 7.885 1.00 0.00 H ATOM 581 HD21 LEU A 41 35.492 28.531 9.298 1.00 0.00 H ATOM 582 HD22 LEU A 41 34.405 29.923 9.074 1.00 0.00 H ATOM 583 HD23 LEU A 41 34.969 28.998 7.661 1.00 0.00 H ATOM 584 HD11 LEU A 41 38.458 30.232 7.795 1.00 0.00 H ATOM 585 HD12 LEU A 41 37.902 28.713 8.539 1.00 0.00 H ATOM 586 HD13 LEU A 41 37.326 29.174 6.918 1.00 0.00 H ATOM 587 H LEU A 41 37.647 32.109 11.999 1.00 0.00 H ATOM 588 N ASP A 42 37.395 33.983 9.399 1.00 20.92 N ATOM 589 CA ASP A 42 37.226 35.147 8.536 1.00 22.32 C ATOM 590 C ASP A 42 38.623 35.774 8.359 1.00 22.30 C ATOM 591 O ASP A 42 38.937 36.352 7.314 1.00 18.64 O ATOM 592 CB ASP A 42 36.242 36.139 9.178 1.00 23.65 C ATOM 593 CG ASP A 42 35.543 37.035 8.153 1.00 28.32 C ATOM 594 OD1 ASP A 42 35.495 36.662 6.957 1.00 25.65 O ATOM 595 OD2 ASP A 42 35.025 38.108 8.550 1.00 27.93 O ATOM 596 HA ASP A 42 36.812 34.872 7.566 1.00 0.00 H ATOM 597 HB2 ASP A 42 35.484 35.575 9.721 1.00 0.00 H ATOM 598 HB3 ASP A 42 36.791 36.771 9.876 1.00 0.00 H ATOM 599 H ASP A 42 37.106 34.036 10.397 1.00 0.00 H ATOM 600 N ARG A 43 39.469 35.633 9.378 1.00 22.08 N ATOM 601 CA ARG A 43 40.819 36.172 9.303 1.00 22.35 C ATOM 602 C ARG A 43 41.634 35.402 8.285 1.00 22.35 C ATOM 603 O ARG A 43 42.453 35.990 7.571 1.00 19.57 O ATOM 604 CB ARG A 43 41.507 36.129 10.669 1.00 26.56 C ATOM 605 CG ARG A 43 41.021 37.213 11.622 1.00 33.03 C ATOM 606 CD ARG A 43 41.761 37.202 12.957 1.00 38.63 C ATOM 607 NE ARG A 43 41.230 38.228 13.853 1.00 41.54 N ATOM 608 CZ ARG A 43 41.389 39.535 13.667 1.00 40.10 C ATOM 609 NH1 ARG A 43 42.075 39.973 12.623 1.00 39.47 N ATOM 610 NH2 ARG A 43 40.840 40.404 14.507 1.00 41.37 N ATOM 611 HA ARG A 43 40.750 37.214 8.990 1.00 0.00 H ATOM 612 HB2 ARG A 43 41.315 35.157 11.123 1.00 0.00 H ATOM 613 HB3 ARG A 43 42.580 36.254 10.521 1.00 0.00 H ATOM 614 HG2 ARG A 43 41.169 38.184 11.150 1.00 0.00 H ATOM 615 HG3 ARG A 43 39.958 37.060 11.811 1.00 0.00 H ATOM 616 HD2 ARG A 43 42.819 37.394 12.781 1.00 0.00 H ATOM 617 HD3 ARG A 43 41.643 36.224 13.423 1.00 0.00 H ATOM 618 HE ARG A 43 40.694 37.916 14.688 1.00 0.00 H ATOM 619 HH12 ARG A 43 42.201 40.995 12.475 1.00 0.00 H ATOM 620 HH11 ARG A 43 42.488 39.295 11.951 1.00 0.00 H ATOM 621 HH22 ARG A 43 40.968 41.425 14.356 1.00 0.00 H ATOM 622 HH21 ARG A 43 40.282 40.064 15.316 1.00 0.00 H ATOM 623 H ARG A 43 39.162 35.133 10.236 1.00 0.00 H ATOM 624 N CYS A 44 41.415 34.089 8.220 1.00 23.03 N ATOM 625 CA CYS A 44 42.125 33.256 7.249 1.00 24.53 C ATOM 626 C CYS A 44 41.811 33.821 5.872 1.00 24.51 C ATOM 627 O CYS A 44 42.696 34.036 5.042 1.00 25.48 O ATOM 628 CB CYS A 44 41.635 31.808 7.290 1.00 26.46 C ATOM 629 SG CYS A 44 42.212 30.758 8.661 1.00 29.89 S ATOM 630 HA CYS A 44 43.191 33.262 7.475 1.00 0.00 H ATOM 631 HB2 CYS A 44 41.948 31.332 6.361 1.00 0.00 H ATOM 632 HB3 CYS A 44 40.546 31.834 7.335 1.00 0.00 H ATOM 633 H CYS A 44 40.730 33.651 8.868 1.00 0.00 H ATOM 634 N CYS A 45 40.527 34.059 5.636 1.00 25.19 N ATOM 635 CA CYS A 45 40.103 34.601 4.363 1.00 25.43 C ATOM 636 C CYS A 45 40.643 36.003 4.145 1.00 22.79 C ATOM 637 O CYS A 45 41.149 36.300 3.067 1.00 21.66 O ATOM 638 CB CYS A 45 38.578 34.592 4.263 1.00 25.22 C ATOM 639 SG CYS A 45 37.901 32.903 4.328 1.00 28.28 S ATOM 640 HA CYS A 45 40.512 33.965 3.578 1.00 0.00 H ATOM 641 HB2 CYS A 45 38.284 35.053 3.320 1.00 0.00 H ATOM 642 HB3 CYS A 45 38.167 35.168 5.092 1.00 0.00 H ATOM 643 H CYS A 45 39.820 33.855 6.371 1.00 0.00 H ATOM 644 N GLN A 46 40.551 36.863 5.157 1.00 23.38 N ATOM 645 CA GLN A 46 41.058 38.224 5.001 1.00 22.81 C ATOM 646 C GLN A 46 42.490 38.180 4.487 1.00 23.10 C ATOM 647 O GLN A 46 42.840 38.869 3.523 1.00 19.03 O ATOM 648 CB GLN A 46 41.030 38.995 6.318 1.00 23.04 C ATOM 649 CG GLN A 46 41.584 40.407 6.162 1.00 26.19 C ATOM 650 CD GLN A 46 41.863 41.084 7.485 1.00 26.15 C ATOM 651 OE1 GLN A 46 42.560 40.532 8.344 1.00 30.40 O ATOM 652 NE2 GLN A 46 41.329 42.288 7.657 1.00 23.33 N ATOM 653 HA GLN A 46 40.410 38.737 4.290 1.00 0.00 H ATOM 654 HB2 GLN A 46 40.000 39.057 6.669 1.00 0.00 H ATOM 655 HB3 GLN A 46 41.631 38.460 7.053 1.00 0.00 H ATOM 656 HG2 GLN A 46 42.514 40.355 5.596 1.00 0.00 H ATOM 657 HG3 GLN A 46 40.858 41.006 5.612 1.00 0.00 H ATOM 658 HE22 GLN A 46 40.749 42.712 6.905 1.00 0.00 H ATOM 659 HE21 GLN A 46 41.491 42.807 8.544 1.00 0.00 H ATOM 660 H GLN A 46 40.120 36.567 6.056 1.00 0.00 H ATOM 661 N THR A 47 43.308 37.354 5.132 1.00 23.62 N ATOM 662 CA THR A 47 44.701 37.210 4.739 1.00 24.38 C ATOM 663 C THR A 47 44.758 36.647 3.327 1.00 20.21 C ATOM 664 O THR A 47 45.669 36.972 2.559 1.00 21.02 O ATOM 665 CB THR A 47 45.464 36.278 5.712 1.00 28.08 C ATOM 666 OG1 THR A 47 45.417 36.832 7.035 1.00 32.62 O ATOM 667 CG2 THR A 47 46.933 36.132 5.293 1.00 24.71 C ATOM 668 HA THR A 47 45.180 38.188 4.772 1.00 0.00 H ATOM 669 HB THR A 47 44.990 35.297 5.690 1.00 0.00 H ATOM 670 HG1 THR A 47 44.474 36.913 7.324 1.00 0.00 H ATOM 671 HG23 THR A 47 46.983 35.712 4.289 1.00 0.00 H ATOM 672 HG21 THR A 47 47.411 37.111 5.303 1.00 0.00 H ATOM 673 HG22 THR A 47 47.445 35.470 5.991 1.00 0.00 H ATOM 674 H THR A 47 42.945 36.800 5.934 1.00 0.00 H ATOM 675 N HIS A 48 43.769 35.833 2.972 1.00 16.76 N ATOM 676 CA HIS A 48 43.745 35.254 1.638 1.00 15.31 C ATOM 677 C HIS A 48 43.417 36.332 0.584 1.00 13.32 C ATOM 678 O HIS A 48 43.950 36.323 -0.528 1.00 16.19 O ATOM 679 CB HIS A 48 42.737 34.106 1.576 1.00 13.29 C ATOM 680 CG HIS A 48 42.658 33.454 0.230 1.00 11.59 C ATOM 681 ND1 HIS A 48 41.610 33.661 -0.647 1.00 15.84 N ATOM 682 CD2 HIS A 48 43.517 32.628 -0.412 1.00 11.50 C ATOM 683 CE1 HIS A 48 41.825 32.991 -1.764 1.00 16.25 C ATOM 684 NE2 HIS A 48 42.977 32.354 -1.648 1.00 15.45 N ATOM 685 HA HIS A 48 44.734 34.854 1.414 1.00 0.00 H ATOM 686 HB2 HIS A 48 43.026 33.352 2.309 1.00 0.00 H ATOM 687 HB3 HIS A 48 41.752 34.497 1.829 1.00 0.00 H ATOM 688 HD2 HIS A 48 44.462 32.250 -0.022 1.00 0.00 H ATOM 689 HE1 HIS A 48 41.166 32.967 -2.632 1.00 0.00 H ATOM 690 H HIS A 48 43.012 35.610 3.649 1.00 0.00 H ATOM 691 N ASP A 49 42.565 37.284 0.948 1.00 13.79 N ATOM 692 CA ASP A 49 42.198 38.364 0.038 1.00 15.73 C ATOM 693 C ASP A 49 43.396 39.274 -0.174 1.00 17.73 C ATOM 694 O ASP A 49 43.678 39.706 -1.299 1.00 13.68 O ATOM 695 CB ASP A 49 41.029 39.158 0.615 1.00 19.93 C ATOM 696 CG ASP A 49 39.735 38.367 0.607 1.00 25.97 C ATOM 697 OD1 ASP A 49 39.766 37.177 0.218 1.00 27.13 O ATOM 698 OD2 ASP A 49 38.690 38.932 0.993 1.00 32.34 O ATOM 699 HA ASP A 49 41.893 37.943 -0.920 1.00 0.00 H ATOM 700 HB2 ASP A 49 41.265 39.433 1.643 1.00 0.00 H ATOM 701 HB3 ASP A 49 40.891 40.061 0.021 1.00 0.00 H ATOM 702 H ASP A 49 42.151 37.259 1.902 1.00 0.00 H ATOM 703 N ASN A 50 44.114 39.555 0.909 1.00 20.14 N ATOM 704 CA ASN A 50 45.289 40.409 0.814 1.00 18.97 C ATOM 705 C ASN A 50 46.328 39.788 -0.100 1.00 19.08 C ATOM 706 O ASN A 50 46.926 40.472 -0.939 1.00 22.73 O ATOM 707 CB ASN A 50 45.887 40.672 2.201 1.00 17.24 C ATOM 708 CG ASN A 50 45.043 41.635 3.015 1.00 18.83 C ATOM 709 OD1 ASN A 50 44.327 42.461 2.450 1.00 17.63 O ATOM 710 ND2 ASN A 50 45.130 41.545 4.339 1.00 17.06 N ATOM 711 HA ASN A 50 44.979 41.364 0.389 1.00 0.00 H ATOM 712 HB2 ASN A 50 45.958 39.726 2.738 1.00 0.00 H ATOM 713 HB3 ASN A 50 46.884 41.095 2.079 1.00 0.00 H ATOM 714 HD22 ASN A 50 45.749 40.830 4.772 1.00 0.00 H ATOM 715 HD21 ASN A 50 44.579 42.189 4.941 1.00 0.00 H ATOM 716 H ASN A 50 43.834 39.162 1.830 1.00 0.00 H ATOM 717 N CYS A 51 46.518 38.484 0.052 1.00 15.09 N ATOM 718 CA CYS A 51 47.488 37.746 -0.747 1.00 19.33 C ATOM 719 C CYS A 51 47.222 37.949 -2.242 1.00 19.46 C ATOM 720 O CYS A 51 48.134 38.232 -3.026 1.00 21.34 O ATOM 721 CB CYS A 51 47.405 36.267 -0.385 1.00 22.72 C ATOM 722 SG CYS A 51 48.865 35.267 -0.815 1.00 26.33 S ATOM 723 HA CYS A 51 48.490 38.117 -0.534 1.00 0.00 H ATOM 724 HB2 CYS A 51 46.544 35.843 -0.902 1.00 0.00 H ATOM 725 HB3 CYS A 51 47.253 36.193 0.692 1.00 0.00 H ATOM 726 H CYS A 51 45.958 37.973 0.763 1.00 0.00 H ATOM 727 N TYR A 52 45.959 37.809 -2.623 1.00 19.66 N ATOM 728 CA TYR A 52 45.539 37.985 -4.008 1.00 19.71 C ATOM 729 C TYR A 52 45.841 39.394 -4.516 1.00 18.47 C ATOM 730 O TYR A 52 46.313 39.567 -5.642 1.00 17.75 O ATOM 731 CB TYR A 52 44.040 37.694 -4.130 1.00 19.45 C ATOM 732 CG TYR A 52 43.713 36.251 -4.443 1.00 20.58 C ATOM 733 CD1 TYR A 52 44.574 35.217 -4.062 1.00 20.57 C ATOM 734 CD2 TYR A 52 42.540 35.918 -5.119 1.00 19.83 C ATOM 735 CE1 TYR A 52 44.274 33.884 -4.352 1.00 20.47 C ATOM 736 CE2 TYR A 52 42.228 34.590 -5.412 1.00 20.58 C ATOM 737 CZ TYR A 52 43.098 33.582 -5.027 1.00 20.64 C ATOM 738 OH TYR A 52 42.788 32.277 -5.316 1.00 17.27 O ATOM 739 HA TYR A 52 46.103 37.285 -4.624 1.00 0.00 H ATOM 740 HB3 TYR A 52 43.634 38.318 -4.927 1.00 0.00 H ATOM 741 HB2 TYR A 52 43.562 37.956 -3.186 1.00 0.00 H ATOM 742 HD2 TYR A 52 41.855 36.709 -5.424 1.00 0.00 H ATOM 743 HE2 TYR A 52 41.306 34.347 -5.940 1.00 0.00 H ATOM 744 HE1 TYR A 52 44.956 33.089 -4.052 1.00 0.00 H ATOM 745 HD1 TYR A 52 45.495 35.455 -3.530 1.00 0.00 H ATOM 746 HH TYR A 52 43.506 31.686 -4.977 1.00 0.00 H ATOM 747 H TYR A 52 45.243 37.565 -1.909 1.00 0.00 H ATOM 748 N ASN A 53 45.569 40.398 -3.687 1.00 20.09 N ATOM 749 CA ASN A 53 45.827 41.780 -4.072 1.00 18.98 C ATOM 750 C ASN A 53 47.305 42.018 -4.353 1.00 19.82 C ATOM 751 O ASN A 53 47.654 42.738 -5.289 1.00 16.49 O ATOM 752 CB ASN A 53 45.346 42.746 -2.991 1.00 21.99 C ATOM 753 CG ASN A 53 43.847 42.955 -3.026 1.00 22.91 C ATOM 754 OD1 ASN A 53 43.253 43.062 -4.101 1.00 25.29 O ATOM 755 ND2 ASN A 53 43.226 43.029 -1.849 1.00 28.84 N ATOM 756 HA ASN A 53 45.269 41.966 -4.990 1.00 0.00 H ATOM 757 HB2 ASN A 53 45.621 42.344 -2.016 1.00 0.00 H ATOM 758 HB3 ASN A 53 45.837 43.708 -3.138 1.00 0.00 H ATOM 759 HD22 ASN A 53 43.769 42.933 -0.967 1.00 0.00 H ATOM 760 HD21 ASN A 53 42.198 43.183 -1.812 1.00 0.00 H ATOM 761 H ASN A 53 45.166 40.194 -2.750 1.00 0.00 H ATOM 762 N GLU A 54 48.175 41.414 -3.548 1.00 22.37 N ATOM 763 CA GLU A 54 49.605 41.577 -3.772 1.00 22.32 C ATOM 764 C GLU A 54 49.957 40.879 -5.076 1.00 23.48 C ATOM 765 O GLU A 54 50.711 41.412 -5.891 1.00 25.63 O ATOM 766 CB GLU A 54 50.420 40.965 -2.629 1.00 22.19 C ATOM 767 CG GLU A 54 50.559 41.827 -1.370 1.00 22.84 C ATOM 768 CD GLU A 54 51.412 43.077 -1.574 1.00 23.55 C ATOM 769 OE1 GLU A 54 52.464 42.999 -2.244 1.00 27.35 O ATOM 770 OE2 GLU A 54 51.037 44.145 -1.047 1.00 22.31 O ATOM 771 HA GLU A 54 49.844 42.640 -3.818 1.00 0.00 H ATOM 772 HB2 GLU A 54 49.942 40.028 -2.342 1.00 0.00 H ATOM 773 HB3 GLU A 54 51.422 40.759 -3.006 1.00 0.00 H ATOM 774 HG2 GLU A 54 49.563 42.137 -1.053 1.00 0.00 H ATOM 775 HG3 GLU A 54 51.016 41.222 -0.587 1.00 0.00 H ATOM 776 H GLU A 54 47.835 40.827 -2.760 1.00 0.00 H ATOM 777 N ALA A 55 49.404 39.686 -5.277 1.00 19.99 N ATOM 778 CA ALA A 55 49.689 38.943 -6.493 1.00 18.76 C ATOM 779 C ALA A 55 49.265 39.751 -7.709 1.00 16.94 C ATOM 780 O ALA A 55 49.932 39.720 -8.747 1.00 13.73 O ATOM 781 CB ALA A 55 48.967 37.605 -6.473 1.00 19.69 C ATOM 782 HA ALA A 55 50.762 38.759 -6.550 1.00 0.00 H ATOM 783 HB1 ALA A 55 49.303 37.025 -5.613 1.00 0.00 H ATOM 784 HB2 ALA A 55 47.893 37.774 -6.401 1.00 0.00 H ATOM 785 HB3 ALA A 55 49.190 37.060 -7.390 1.00 0.00 H ATOM 786 H ALA A 55 48.765 39.284 -4.561 1.00 0.00 H ATOM 787 N GLU A 56 48.156 40.475 -7.573 1.00 16.66 N ATOM 788 CA GLU A 56 47.641 41.295 -8.667 1.00 22.35 C ATOM 789 C GLU A 56 48.683 42.308 -9.134 1.00 21.14 C ATOM 790 O GLU A 56 48.618 42.807 -10.254 1.00 19.26 O ATOM 791 CB GLU A 56 46.361 42.024 -8.235 1.00 27.04 C ATOM 792 CG GLU A 56 45.058 41.209 -8.359 1.00 31.44 C ATOM 793 CD GLU A 56 44.441 41.250 -9.759 1.00 34.36 C ATOM 794 OE1 GLU A 56 44.447 42.327 -10.400 1.00 38.21 O ATOM 795 OE2 GLU A 56 43.930 40.205 -10.214 1.00 37.87 O ATOM 796 HA GLU A 56 47.409 40.631 -9.500 1.00 0.00 H ATOM 797 HB2 GLU A 56 46.477 42.316 -7.191 1.00 0.00 H ATOM 798 HB3 GLU A 56 46.259 42.917 -8.852 1.00 0.00 H ATOM 799 HG2 GLU A 56 45.275 40.171 -8.108 1.00 0.00 H ATOM 800 HG3 GLU A 56 44.332 41.609 -7.650 1.00 0.00 H ATOM 801 H GLU A 56 47.645 40.456 -6.668 1.00 0.00 H ATOM 802 N ASN A 57 49.649 42.601 -8.271 1.00 24.96 N ATOM 803 CA ASN A 57 50.713 43.540 -8.605 1.00 28.00 C ATOM 804 C ASN A 57 51.611 42.974 -9.700 1.00 28.89 C ATOM 805 O ASN A 57 52.234 43.720 -10.451 1.00 30.05 O ATOM 806 CB ASN A 57 51.536 43.863 -7.358 1.00 32.60 C ATOM 807 CG ASN A 57 50.772 44.720 -6.369 1.00 39.99 C ATOM 808 OD1 ASN A 57 49.595 44.476 -6.106 1.00 47.35 O ATOM 809 ND2 ASN A 57 51.439 45.725 -5.809 1.00 43.76 N ATOM 810 HA ASN A 57 50.259 44.458 -8.978 1.00 0.00 H ATOM 811 HB2 ASN A 57 51.815 42.929 -6.870 1.00 0.00 H ATOM 812 HB3 ASN A 57 52.437 44.396 -7.661 1.00 0.00 H ATOM 813 HD22 ASN A 57 52.434 45.894 -6.062 1.00 0.00 H ATOM 814 HD21 ASN A 57 50.966 46.342 -5.118 1.00 0.00 H ATOM 815 H ASN A 57 49.646 42.150 -7.334 1.00 0.00 H ATOM 816 N ILE A 58 51.693 41.652 -9.784 1.00 31.08 N ATOM 817 CA ILE A 58 52.499 41.034 -10.827 1.00 31.53 C ATOM 818 C ILE A 58 51.682 41.193 -12.107 1.00 34.11 C ATOM 819 O ILE A 58 50.544 40.728 -12.187 1.00 36.46 O ATOM 820 CB ILE A 58 52.753 39.538 -10.532 1.00 27.65 C ATOM 821 CG1 ILE A 58 53.649 39.404 -9.297 1.00 25.63 C ATOM 822 CG2 ILE A 58 53.403 38.867 -11.736 1.00 26.35 C ATOM 823 CD1 ILE A 58 53.875 37.973 -8.848 1.00 23.32 C ATOM 824 HA ILE A 58 53.481 41.501 -10.900 1.00 0.00 H ATOM 825 HB ILE A 58 51.801 39.044 -10.336 1.00 0.00 H ATOM 826 HG12 ILE A 58 54.618 39.848 -9.527 1.00 0.00 H ATOM 827 HG13 ILE A 58 53.185 39.951 -8.476 1.00 0.00 H ATOM 828 HD11 ILE A 58 52.917 37.515 -8.601 1.00 0.00 H ATOM 829 HD12 ILE A 58 54.351 37.412 -9.652 1.00 0.00 H ATOM 830 HD13 ILE A 58 54.519 37.967 -7.969 1.00 0.00 H ATOM 831 HG21 ILE A 58 52.743 38.954 -12.599 1.00 0.00 H ATOM 832 HG22 ILE A 58 54.353 39.355 -11.953 1.00 0.00 H ATOM 833 HG23 ILE A 58 53.576 37.814 -11.514 1.00 0.00 H ATOM 834 H ILE A 58 51.180 41.056 -9.103 1.00 0.00 H ATOM 835 N SER A 59 52.250 41.871 -13.097 1.00 33.83 N ATOM 836 CA SER A 59 51.544 42.108 -14.349 1.00 34.20 C ATOM 837 C SER A 59 51.112 40.821 -15.042 1.00 30.74 C ATOM 838 O SER A 59 51.856 39.844 -15.083 1.00 27.57 O ATOM 839 CB SER A 59 52.416 42.932 -15.299 1.00 37.78 C ATOM 840 OG SER A 59 53.594 42.221 -15.628 1.00 47.77 O ATOM 841 HA SER A 59 50.638 42.659 -14.095 1.00 0.00 H ATOM 842 HB2 SER A 59 52.686 43.871 -14.816 1.00 0.00 H ATOM 843 HB3 SER A 59 51.856 43.142 -16.210 1.00 0.00 H ATOM 844 HG SER A 59 53.351 41.369 -16.069 1.00 0.00 H ATOM 845 H SER A 59 53.215 42.239 -12.977 1.00 0.00 H ATOM 846 N GLY A 60 49.896 40.843 -15.584 1.00 30.09 N ATOM 847 CA GLY A 60 49.348 39.694 -16.279 1.00 27.12 C ATOM 848 C GLY A 60 49.015 38.568 -15.321 1.00 29.22 C ATOM 849 O GLY A 60 48.861 37.414 -15.732 1.00 32.90 O ATOM 850 HA3 GLY A 60 50.079 39.337 -17.004 1.00 0.00 H ATOM 851 HA2 GLY A 60 48.439 39.996 -16.800 1.00 0.00 H ATOM 852 H GLY A 60 49.323 41.708 -15.507 1.00 0.00 H ATOM 853 N CYS A 61 48.900 38.904 -14.038 1.00 28.52 N ATOM 854 CA CYS A 61 48.600 37.912 -13.019 1.00 26.94 C ATOM 855 C CYS A 61 47.200 38.104 -12.477 1.00 27.31 C ATOM 856 O CYS A 61 46.876 39.106 -11.838 1.00 29.13 O ATOM 857 CB CYS A 61 49.613 37.992 -11.885 1.00 23.95 C ATOM 858 SG CYS A 61 49.560 36.591 -10.728 1.00 17.77 S ATOM 859 HA CYS A 61 48.661 36.926 -13.479 1.00 0.00 H ATOM 860 HB2 CYS A 61 49.423 38.906 -11.322 1.00 0.00 H ATOM 861 HB3 CYS A 61 50.611 38.036 -12.322 1.00 0.00 H ATOM 862 H CYS A 61 49.028 39.898 -13.759 1.00 0.00 H ATOM 863 N ARG A 62 46.361 37.119 -12.742 1.00 26.02 N ATOM 864 CA ARG A 62 44.974 37.165 -12.302 1.00 25.61 C ATOM 865 C ARG A 62 44.610 35.994 -11.398 1.00 25.45 C ATOM 866 O ARG A 62 44.178 34.951 -11.877 1.00 28.47 O ATOM 867 CB ARG A 62 44.080 37.194 -13.545 1.00 22.75 C ATOM 868 CG ARG A 62 44.375 38.330 -14.518 1.00 21.12 C ATOM 869 CD ARG A 62 43.572 38.211 -15.826 1.00 27.31 C ATOM 870 NE ARG A 62 44.135 37.270 -16.801 1.00 24.79 N ATOM 871 CZ ARG A 62 45.257 37.471 -17.490 1.00 22.28 C ATOM 872 NH1 ARG A 62 45.962 38.578 -17.326 1.00 22.33 N ATOM 873 NH2 ARG A 62 45.674 36.563 -18.356 1.00 24.34 N ATOM 874 HA ARG A 62 44.824 38.064 -11.703 1.00 0.00 H ATOM 875 HB2 ARG A 62 44.207 36.251 -14.076 1.00 0.00 H ATOM 876 HB3 ARG A 62 43.045 37.289 -13.217 1.00 0.00 H ATOM 877 HG2 ARG A 62 44.123 39.276 -14.038 1.00 0.00 H ATOM 878 HG3 ARG A 62 45.438 38.318 -14.758 1.00 0.00 H ATOM 879 HD2 ARG A 62 43.528 39.196 -16.290 1.00 0.00 H ATOM 880 HD3 ARG A 62 42.563 37.882 -15.578 1.00 0.00 H ATOM 881 HE ARG A 62 43.620 36.381 -16.966 1.00 0.00 H ATOM 882 HH12 ARG A 62 46.836 38.723 -17.870 1.00 0.00 H ATOM 883 HH11 ARG A 62 45.642 39.303 -16.653 1.00 0.00 H ATOM 884 HH22 ARG A 62 46.550 36.721 -18.894 1.00 0.00 H ATOM 885 HH21 ARG A 62 45.126 35.691 -18.500 1.00 0.00 H ATOM 886 H ARG A 62 46.698 36.293 -13.276 1.00 0.00 H ATOM 887 N PRO A 63 44.673 36.273 -10.076 1.00 26.85 N ATOM 888 CA PRO A 63 44.435 35.231 -9.026 1.00 26.54 C ATOM 889 C PRO A 63 43.307 34.250 -9.222 1.00 27.25 C ATOM 890 O PRO A 63 43.400 33.084 -8.828 1.00 28.96 O ATOM 891 CB PRO A 63 44.446 36.035 -7.758 1.00 26.82 C ATOM 892 CG PRO A 63 45.530 37.026 -8.056 1.00 23.98 C ATOM 893 CD PRO A 63 45.590 37.269 -9.524 1.00 26.04 C ATOM 894 HA PRO A 63 45.207 34.461 -9.044 1.00 0.00 H ATOM 895 HD3 PRO A 63 45.259 38.279 -9.765 1.00 0.00 H ATOM 896 HD2 PRO A 63 46.601 37.119 -9.902 1.00 0.00 H ATOM 897 HG3 PRO A 63 46.487 36.632 -7.713 1.00 0.00 H ATOM 898 HG2 PRO A 63 45.318 37.963 -7.541 1.00 0.00 H ATOM 899 HB2 PRO A 63 43.489 36.528 -7.588 1.00 0.00 H ATOM 900 HB3 PRO A 63 44.694 35.418 -6.895 1.00 0.00 H ATOM 901 N TYR A 64 42.258 34.711 -9.840 1.00 26.76 N ATOM 902 CA TYR A 64 41.100 33.853 -10.019 1.00 26.51 C ATOM 903 C TYR A 64 41.124 32.927 -11.208 1.00 25.36 C ATOM 904 O TYR A 64 40.562 31.831 -11.142 1.00 23.13 O ATOM 905 CB TYR A 64 39.810 34.673 -10.131 1.00 30.59 C ATOM 906 CG TYR A 64 39.300 35.285 -8.845 1.00 36.04 C ATOM 907 CD1 TYR A 64 39.865 36.445 -8.335 1.00 35.58 C ATOM 908 CD2 TYR A 64 38.234 34.707 -8.143 1.00 42.16 C ATOM 909 CE1 TYR A 64 39.391 37.014 -7.173 1.00 42.62 C ATOM 910 CE2 TYR A 64 37.747 35.277 -6.966 1.00 48.07 C ATOM 911 CZ TYR A 64 38.331 36.430 -6.491 1.00 48.86 C ATOM 912 OH TYR A 64 37.845 36.994 -5.329 1.00 54.62 O ATOM 913 HA TYR A 64 41.134 33.233 -9.123 1.00 0.00 H ATOM 914 HB3 TYR A 64 39.031 34.018 -10.521 1.00 0.00 H ATOM 915 HB2 TYR A 64 39.990 35.483 -10.838 1.00 0.00 H ATOM 916 HD2 TYR A 64 37.776 33.794 -8.524 1.00 0.00 H ATOM 917 HE2 TYR A 64 36.917 34.816 -6.431 1.00 0.00 H ATOM 918 HE1 TYR A 64 39.849 37.925 -6.788 1.00 0.00 H ATOM 919 HD1 TYR A 64 40.697 36.913 -8.862 1.00 0.00 H ATOM 920 HH TYR A 64 36.891 37.229 -5.452 1.00 0.00 H ATOM 921 H TYR A 64 42.249 35.686 -10.203 1.00 0.00 H ATOM 922 N PHE A 65 41.744 33.367 -12.297 1.00 21.25 N ATOM 923 CA PHE A 65 41.759 32.581 -13.510 1.00 19.96 C ATOM 924 C PHE A 65 43.090 31.903 -13.758 1.00 21.48 C ATOM 925 O PHE A 65 43.194 31.027 -14.617 1.00 22.38 O ATOM 926 CB PHE A 65 41.371 33.494 -14.675 1.00 19.12 C ATOM 927 CG PHE A 65 40.082 34.247 -14.444 1.00 18.18 C ATOM 928 CD1 PHE A 65 38.854 33.644 -14.683 1.00 20.70 C ATOM 929 CD2 PHE A 65 40.099 35.544 -13.940 1.00 20.82 C ATOM 930 CE1 PHE A 65 37.663 34.326 -14.430 1.00 25.02 C ATOM 931 CE2 PHE A 65 38.919 36.233 -13.680 1.00 20.65 C ATOM 932 CZ PHE A 65 37.699 35.625 -13.923 1.00 21.51 C ATOM 933 HA PHE A 65 41.038 31.769 -13.409 1.00 0.00 H ATOM 934 HB2 PHE A 65 42.171 34.218 -14.829 1.00 0.00 H ATOM 935 HB3 PHE A 65 41.259 32.883 -15.571 1.00 0.00 H ATOM 936 HD2 PHE A 65 41.055 36.029 -13.745 1.00 0.00 H ATOM 937 HE2 PHE A 65 38.955 37.249 -13.286 1.00 0.00 H ATOM 938 HZ PHE A 65 36.771 36.159 -13.719 1.00 0.00 H ATOM 939 HE1 PHE A 65 36.706 33.844 -14.628 1.00 0.00 H ATOM 940 HD1 PHE A 65 38.820 32.627 -15.073 1.00 0.00 H ATOM 941 H PHE A 65 42.225 34.289 -12.277 1.00 0.00 H ATOM 942 N LYS A 66 44.111 32.291 -13.001 1.00 24.11 N ATOM 943 CA LYS A 66 45.423 31.684 -13.188 1.00 25.04 C ATOM 944 C LYS A 66 45.408 30.199 -12.824 1.00 26.52 C ATOM 945 O LYS A 66 44.938 29.811 -11.756 1.00 25.33 O ATOM 946 CB LYS A 66 46.472 32.414 -12.353 1.00 23.27 C ATOM 947 CG LYS A 66 47.878 31.878 -12.546 1.00 24.25 C ATOM 948 CD LYS A 66 48.260 31.882 -14.007 1.00 22.58 C ATOM 949 CE LYS A 66 49.714 31.520 -14.184 1.00 23.57 C ATOM 950 NZ LYS A 66 50.065 31.290 -15.611 1.00 22.07 N ATOM 951 HA LYS A 66 45.680 31.773 -14.243 1.00 0.00 H ATOM 952 HB2 LYS A 66 46.463 33.468 -12.631 1.00 0.00 H ATOM 953 HB3 LYS A 66 46.206 32.315 -11.301 1.00 0.00 H ATOM 954 HG2 LYS A 66 48.578 32.503 -11.992 1.00 0.00 H ATOM 955 HG3 LYS A 66 47.926 30.857 -12.167 1.00 0.00 H ATOM 956 HD2 LYS A 66 47.644 31.157 -14.539 1.00 0.00 H ATOM 957 HD3 LYS A 66 48.087 32.876 -14.419 1.00 0.00 H ATOM 958 HE2 LYS A 66 49.921 30.610 -13.620 1.00 0.00 H ATOM 959 HE3 LYS A 66 50.328 32.333 -13.798 1.00 0.00 H ATOM 960 HZ1 LYS A 66 49.489 30.510 -15.987 1.00 0.00 H ATOM 961 HZ2 LYS A 66 49.878 32.155 -16.157 1.00 0.00 H ATOM 962 HZ3 LYS A 66 51.073 31.044 -15.684 1.00 0.00 H ATOM 963 H LYS A 66 43.974 33.025 -12.277 1.00 0.00 H ATOM 964 N THR A 67 45.916 29.371 -13.732 1.00 29.73 N ATOM 965 CA THR A 67 45.970 27.928 -13.523 1.00 27.75 C ATOM 966 C THR A 67 47.379 27.570 -13.120 1.00 28.81 C ATOM 967 O THR A 67 48.297 27.678 -13.924 1.00 34.42 O ATOM 968 CB THR A 67 45.654 27.159 -14.806 1.00 24.69 C ATOM 969 OG1 THR A 67 44.333 27.494 -15.249 1.00 29.86 O ATOM 970 CG2 THR A 67 45.746 25.668 -14.560 1.00 24.37 C ATOM 971 HA THR A 67 45.236 27.663 -12.762 1.00 0.00 H ATOM 972 HB THR A 67 46.378 27.434 -15.573 1.00 0.00 H ATOM 973 HG1 THR A 67 44.129 26.996 -16.080 1.00 0.00 H ATOM 974 HG23 THR A 67 46.752 25.418 -14.223 1.00 0.00 H ATOM 975 HG21 THR A 67 45.024 25.382 -13.795 1.00 0.00 H ATOM 976 HG22 THR A 67 45.528 25.134 -15.485 1.00 0.00 H ATOM 977 H THR A 67 46.287 29.765 -14.620 1.00 0.00 H ATOM 978 N TYR A 68 47.562 27.142 -11.882 1.00 28.56 N ATOM 979 CA TYR A 68 48.895 26.794 -11.431 1.00 25.95 C ATOM 980 C TYR A 68 49.063 25.286 -11.320 1.00 23.59 C ATOM 981 O TYR A 68 48.128 24.527 -11.575 1.00 25.37 O ATOM 982 CB TYR A 68 49.178 27.479 -10.092 1.00 26.03 C ATOM 983 CG TYR A 68 48.054 27.344 -9.094 1.00 26.51 C ATOM 984 CD1 TYR A 68 47.688 26.095 -8.598 1.00 24.12 C ATOM 985 CD2 TYR A 68 47.359 28.467 -8.640 1.00 29.07 C ATOM 986 CE1 TYR A 68 46.661 25.962 -7.672 1.00 26.27 C ATOM 987 CE2 TYR A 68 46.327 28.348 -7.712 1.00 28.48 C ATOM 988 CZ TYR A 68 45.986 27.091 -7.231 1.00 28.15 C ATOM 989 OH TYR A 68 44.986 26.960 -6.293 1.00 27.64 O ATOM 990 HA TYR A 68 49.617 27.145 -12.168 1.00 0.00 H ATOM 991 HB3 TYR A 68 49.350 28.539 -10.277 1.00 0.00 H ATOM 992 HB2 TYR A 68 50.076 27.037 -9.661 1.00 0.00 H ATOM 993 HD2 TYR A 68 47.629 29.453 -9.018 1.00 0.00 H ATOM 994 HE2 TYR A 68 45.792 29.233 -7.367 1.00 0.00 H ATOM 995 HE1 TYR A 68 46.387 24.977 -7.294 1.00 0.00 H ATOM 996 HD1 TYR A 68 48.217 25.206 -8.942 1.00 0.00 H ATOM 997 HH TYR A 68 45.229 27.470 -5.480 1.00 0.00 H ATOM 998 H TYR A 68 46.753 27.055 -11.235 1.00 0.00 H ATOM 999 N SER A 69 50.261 24.861 -10.941 1.00 21.96 N ATOM 1000 CA SER A 69 50.567 23.446 -10.799 1.00 22.52 C ATOM 1001 C SER A 69 50.698 23.060 -9.326 1.00 23.11 C ATOM 1002 O SER A 69 51.535 23.610 -8.606 1.00 24.24 O ATOM 1003 CB SER A 69 51.868 23.131 -11.541 1.00 26.20 C ATOM 1004 OG SER A 69 52.161 21.749 -11.496 1.00 35.38 O ATOM 1005 HA SER A 69 49.750 22.867 -11.229 1.00 0.00 H ATOM 1006 HB2 SER A 69 52.685 23.683 -11.077 1.00 0.00 H ATOM 1007 HB3 SER A 69 51.768 23.440 -12.582 1.00 0.00 H ATOM 1008 HG SER A 69 53.006 21.576 -11.983 1.00 0.00 H ATOM 1009 H SER A 69 51.004 25.560 -10.739 1.00 0.00 H ATOM 1010 N TYR A 70 49.863 22.118 -8.887 1.00 21.78 N ATOM 1011 CA TYR A 70 49.870 21.641 -7.504 1.00 21.12 C ATOM 1012 C TYR A 70 49.438 20.183 -7.456 1.00 25.38 C ATOM 1013 O TYR A 70 49.151 19.568 -8.484 1.00 22.86 O ATOM 1014 CB TYR A 70 48.902 22.457 -6.631 1.00 19.31 C ATOM 1015 CG TYR A 70 47.426 22.133 -6.843 1.00 17.40 C ATOM 1016 CD1 TYR A 70 46.799 22.381 -8.076 1.00 16.14 C ATOM 1017 CD2 TYR A 70 46.664 21.550 -5.821 1.00 16.02 C ATOM 1018 CE1 TYR A 70 45.449 22.051 -8.290 1.00 15.25 C ATOM 1019 CE2 TYR A 70 45.313 21.216 -6.019 1.00 15.95 C ATOM 1020 CZ TYR A 70 44.713 21.466 -7.257 1.00 21.17 C ATOM 1021 OH TYR A 70 43.393 21.106 -7.471 1.00 18.88 O ATOM 1022 HA TYR A 70 50.885 21.753 -7.122 1.00 0.00 H ATOM 1023 HB3 TYR A 70 49.053 23.514 -6.852 1.00 0.00 H ATOM 1024 HB2 TYR A 70 49.145 22.267 -5.585 1.00 0.00 H ATOM 1025 HD2 TYR A 70 47.128 21.352 -4.855 1.00 0.00 H ATOM 1026 HE2 TYR A 70 44.736 20.765 -5.212 1.00 0.00 H ATOM 1027 HE1 TYR A 70 44.981 22.250 -9.254 1.00 0.00 H ATOM 1028 HD1 TYR A 70 47.371 22.839 -8.883 1.00 0.00 H ATOM 1029 HH TYR A 70 43.130 21.353 -8.393 1.00 0.00 H ATOM 1030 H TYR A 70 49.180 21.706 -9.554 1.00 0.00 H ATOM 1031 N GLU A 71 49.383 19.635 -6.250 1.00 29.87 N ATOM 1032 CA GLU A 71 48.956 18.260 -6.086 1.00 35.56 C ATOM 1033 C GLU A 71 48.667 17.983 -4.627 1.00 36.66 C ATOM 1034 O GLU A 71 49.328 18.521 -3.744 1.00 39.18 O ATOM 1035 CB GLU A 71 50.022 17.307 -6.614 1.00 37.90 C ATOM 1036 CG GLU A 71 50.897 16.671 -5.564 1.00 45.48 C ATOM 1037 CD GLU A 71 50.927 15.165 -5.711 1.00 49.61 C ATOM 1038 OE1 GLU A 71 50.919 14.683 -6.866 1.00 52.30 O ATOM 1039 OE2 GLU A 71 50.965 14.466 -4.676 1.00 50.40 O ATOM 1040 HA GLU A 71 48.043 18.100 -6.660 1.00 0.00 H ATOM 1041 HB2 GLU A 71 49.519 16.510 -7.162 1.00 0.00 H ATOM 1042 HB3 GLU A 71 50.665 17.865 -7.295 1.00 0.00 H ATOM 1043 HG2 GLU A 71 51.911 17.058 -5.664 1.00 0.00 H ATOM 1044 HG3 GLU A 71 50.509 16.924 -4.577 1.00 0.00 H ATOM 1045 H GLU A 71 49.648 20.196 -5.416 1.00 0.00 H ATOM 1046 N CYS A 72 47.663 17.156 -4.375 1.00 38.69 N ATOM 1047 CA CYS A 72 47.301 16.830 -3.006 1.00 42.25 C ATOM 1048 C CYS A 72 47.222 15.328 -2.866 1.00 41.67 C ATOM 1049 O CYS A 72 46.341 14.698 -3.441 1.00 44.87 O ATOM 1050 CB CYS A 72 45.943 17.443 -2.639 1.00 43.84 C ATOM 1051 SG CYS A 72 45.574 17.421 -0.850 1.00 47.94 S ATOM 1052 HA CYS A 72 48.057 17.237 -2.335 1.00 0.00 H ATOM 1053 HB2 CYS A 72 45.164 16.884 -3.157 1.00 0.00 H ATOM 1054 HB3 CYS A 72 45.932 18.479 -2.978 1.00 0.00 H ATOM 1055 H CYS A 72 47.130 16.737 -5.163 1.00 0.00 H ATOM 1056 N THR A 73 48.145 14.750 -2.111 1.00 40.85 N ATOM 1057 CA THR A 73 48.129 13.312 -1.913 1.00 42.77 C ATOM 1058 C THR A 73 48.431 12.937 -0.485 1.00 41.14 C ATOM 1059 O THR A 73 49.243 13.578 0.188 1.00 42.65 O ATOM 1060 CB THR A 73 49.154 12.585 -2.793 1.00 45.83 C ATOM 1061 OG1 THR A 73 50.459 13.121 -2.543 1.00 50.25 O ATOM 1062 CG2 THR A 73 48.792 12.725 -4.260 1.00 48.63 C ATOM 1063 HA THR A 73 47.119 13.005 -2.186 1.00 0.00 H ATOM 1064 HB THR A 73 49.149 11.523 -2.546 1.00 0.00 H ATOM 1065 HG1 THR A 73 50.464 14.088 -2.757 1.00 0.00 H ATOM 1066 HG23 THR A 73 47.797 12.312 -4.429 1.00 0.00 H ATOM 1067 HG21 THR A 73 48.800 13.779 -4.536 1.00 0.00 H ATOM 1068 HG22 THR A 73 49.519 12.184 -4.866 1.00 0.00 H ATOM 1069 H THR A 73 48.882 15.328 -1.659 1.00 0.00 H ATOM 1070 N GLN A 74 47.763 11.882 -0.039 1.00 38.28 N ATOM 1071 CA GLN A 74 47.946 11.358 1.296 1.00 34.98 C ATOM 1072 C GLN A 74 48.076 12.471 2.330 1.00 33.02 C ATOM 1073 O GLN A 74 49.000 12.490 3.153 1.00 29.35 O ATOM 1074 CB GLN A 74 49.156 10.427 1.275 1.00 33.38 C ATOM 1075 CG GLN A 74 48.966 9.352 0.210 1.00 34.01 C ATOM 1076 CD GLN A 74 50.183 8.491 -0.038 1.00 36.14 C ATOM 1077 OE1 GLN A 74 50.146 7.588 -0.874 1.00 37.41 O ATOM 1078 NE2 GLN A 74 51.268 8.761 0.681 1.00 38.55 N ATOM 1079 HA GLN A 74 47.065 10.792 1.600 1.00 0.00 H ATOM 1080 HB2 GLN A 74 50.053 11.004 1.050 1.00 0.00 H ATOM 1081 HB3 GLN A 74 49.265 9.954 2.251 1.00 0.00 H ATOM 1082 HG2 GLN A 74 48.148 8.703 0.523 1.00 0.00 H ATOM 1083 HG3 GLN A 74 48.700 9.843 -0.726 1.00 0.00 H ATOM 1084 HE22 GLN A 74 51.252 9.534 1.376 1.00 0.00 H ATOM 1085 HE21 GLN A 74 52.133 8.199 0.548 1.00 0.00 H ATOM 1086 H GLN A 74 47.083 11.415 -0.672 1.00 0.00 H ATOM 1087 N GLY A 75 47.125 13.401 2.251 1.00 31.02 N ATOM 1088 CA GLY A 75 47.060 14.521 3.172 1.00 32.45 C ATOM 1089 C GLY A 75 48.158 15.550 3.037 1.00 31.41 C ATOM 1090 O GLY A 75 48.547 16.171 4.021 1.00 31.59 O ATOM 1091 HA3 GLY A 75 47.098 14.123 4.186 1.00 0.00 H ATOM 1092 HA2 GLY A 75 46.107 15.027 3.017 1.00 0.00 H ATOM 1093 H GLY A 75 46.405 13.322 1.504 1.00 0.00 H ATOM 1094 N THR A 76 48.651 15.743 1.820 1.00 32.67 N ATOM 1095 CA THR A 76 49.724 16.703 1.584 1.00 29.69 C ATOM 1096 C THR A 76 49.427 17.600 0.386 1.00 28.77 C ATOM 1097 O THR A 76 49.237 17.123 -0.734 1.00 25.53 O ATOM 1098 CB THR A 76 51.044 15.979 1.323 1.00 29.65 C ATOM 1099 OG1 THR A 76 51.222 14.956 2.308 1.00 31.61 O ATOM 1100 CG2 THR A 76 52.205 16.952 1.385 1.00 27.85 C ATOM 1101 HA THR A 76 49.799 17.317 2.481 1.00 0.00 H ATOM 1102 HB THR A 76 51.015 15.536 0.328 1.00 0.00 H ATOM 1103 HG1 THR A 76 50.472 14.312 2.252 1.00 0.00 H ATOM 1104 HG23 THR A 76 52.066 17.730 0.634 1.00 0.00 H ATOM 1105 HG21 THR A 76 52.245 17.405 2.376 1.00 0.00 H ATOM 1106 HG22 THR A 76 53.135 16.418 1.190 1.00 0.00 H ATOM 1107 H THR A 76 48.266 15.201 1.021 1.00 0.00 H ATOM 1108 N LEU A 77 49.394 18.903 0.635 1.00 29.08 N ATOM 1109 CA LEU A 77 49.121 19.879 -0.410 1.00 30.38 C ATOM 1110 C LEU A 77 50.459 20.467 -0.834 1.00 28.40 C ATOM 1111 O LEU A 77 51.159 21.075 -0.028 1.00 26.59 O ATOM 1112 CB LEU A 77 48.192 20.963 0.141 1.00 31.67 C ATOM 1113 CG LEU A 77 47.426 21.856 -0.833 1.00 29.83 C ATOM 1114 CD1 LEU A 77 46.802 21.034 -1.953 1.00 27.12 C ATOM 1115 CD2 LEU A 77 46.361 22.598 -0.044 1.00 27.11 C ATOM 1116 HA LEU A 77 48.627 19.423 -1.268 1.00 0.00 H ATOM 1117 HB2 LEU A 77 47.451 20.461 0.763 1.00 0.00 H ATOM 1118 HB3 LEU A 77 48.802 21.619 0.762 1.00 0.00 H ATOM 1119 HG LEU A 77 48.106 22.566 -1.304 1.00 0.00 H ATOM 1120 HD21 LEU A 77 45.687 21.878 0.420 1.00 0.00 H ATOM 1121 HD22 LEU A 77 46.837 23.202 0.728 1.00 0.00 H ATOM 1122 HD23 LEU A 77 45.797 23.245 -0.716 1.00 0.00 H ATOM 1123 HD11 LEU A 77 47.587 20.512 -2.500 1.00 0.00 H ATOM 1124 HD12 LEU A 77 46.110 20.307 -1.527 1.00 0.00 H ATOM 1125 HD13 LEU A 77 46.263 21.696 -2.631 1.00 0.00 H ATOM 1126 H LEU A 77 49.568 19.236 1.605 1.00 0.00 H ATOM 1127 N THR A 78 50.803 20.285 -2.103 1.00 29.20 N ATOM 1128 CA THR A 78 52.083 20.746 -2.630 1.00 33.12 C ATOM 1129 C THR A 78 52.036 21.643 -3.864 1.00 34.26 C ATOM 1130 O THR A 78 51.383 21.313 -4.855 1.00 38.21 O ATOM 1131 CB THR A 78 52.978 19.530 -2.982 1.00 33.23 C ATOM 1132 OG1 THR A 78 53.479 18.939 -1.777 1.00 37.76 O ATOM 1133 CG2 THR A 78 54.141 19.949 -3.864 1.00 34.12 C ATOM 1134 HA THR A 78 52.480 21.360 -1.822 1.00 0.00 H ATOM 1135 HB THR A 78 52.375 18.804 -3.528 1.00 0.00 H ATOM 1136 HG1 THR A 78 54.050 18.163 -2.004 1.00 0.00 H ATOM 1137 HG23 THR A 78 53.757 20.398 -4.780 1.00 0.00 H ATOM 1138 HG21 THR A 78 54.756 20.675 -3.332 1.00 0.00 H ATOM 1139 HG22 THR A 78 54.742 19.074 -4.111 1.00 0.00 H ATOM 1140 H THR A 78 50.140 19.799 -2.741 1.00 0.00 H ATOM 1141 N CYS A 79 52.737 22.772 -3.805 1.00 33.69 N ATOM 1142 CA CYS A 79 52.810 23.661 -4.958 1.00 32.72 C ATOM 1143 C CYS A 79 54.072 23.219 -5.679 1.00 33.03 C ATOM 1144 O CYS A 79 55.157 23.207 -5.098 1.00 33.68 O ATOM 1145 CB CYS A 79 52.895 25.139 -4.536 1.00 31.31 C ATOM 1146 SG CYS A 79 51.303 25.800 -3.934 1.00 26.29 S ATOM 1147 HA CYS A 79 51.921 23.598 -5.586 1.00 0.00 H ATOM 1148 HB2 CYS A 79 53.214 25.728 -5.396 1.00 0.00 H ATOM 1149 HB3 CYS A 79 53.634 25.232 -3.740 1.00 0.00 H ATOM 1150 H CYS A 79 53.237 23.023 -2.928 1.00 0.00 H ATOM 1151 N LYS A 80 53.915 22.826 -6.937 1.00 36.27 N ATOM 1152 CA LYS A 80 55.029 22.332 -7.740 1.00 39.69 C ATOM 1153 C LYS A 80 56.046 23.372 -8.190 1.00 43.21 C ATOM 1154 O LYS A 80 55.797 24.580 -8.135 1.00 43.32 O ATOM 1155 CB LYS A 80 54.495 21.584 -8.961 1.00 40.39 C ATOM 1156 CG LYS A 80 53.691 20.341 -8.612 1.00 40.21 C ATOM 1157 CD LYS A 80 53.491 19.488 -9.841 1.00 45.16 C ATOM 1158 CE LYS A 80 52.624 18.285 -9.553 1.00 49.56 C ATOM 1159 NZ LYS A 80 52.511 17.419 -10.758 1.00 52.70 N ATOM 1160 HA LYS A 80 55.579 21.674 -7.067 1.00 0.00 H ATOM 1161 HB2 LYS A 80 53.855 22.261 -9.527 1.00 0.00 H ATOM 1162 HB3 LYS A 80 55.341 21.285 -9.579 1.00 0.00 H ATOM 1163 HG2 LYS A 80 54.227 19.765 -7.857 1.00 0.00 H ATOM 1164 HG3 LYS A 80 52.719 20.639 -8.218 1.00 0.00 H ATOM 1165 HD2 LYS A 80 53.014 20.090 -10.615 1.00 0.00 H ATOM 1166 HD3 LYS A 80 54.463 19.146 -10.196 1.00 0.00 H ATOM 1167 HE2 LYS A 80 51.630 18.622 -9.259 1.00 0.00 H ATOM 1168 HE3 LYS A 80 53.067 17.711 -8.739 1.00 0.00 H ATOM 1169 HZ1 LYS A 80 52.085 17.963 -11.536 1.00 0.00 H ATOM 1170 HZ2 LYS A 80 53.458 17.093 -11.039 1.00 0.00 H ATOM 1171 HZ3 LYS A 80 51.911 16.598 -10.539 1.00 0.00 H ATOM 1172 H LYS A 80 52.968 22.872 -7.364 1.00 0.00 H ATOM 1173 N GLY A 81 57.192 22.876 -8.653 1.00 45.10 N ATOM 1174 CA GLY A 81 58.271 23.740 -9.094 1.00 43.95 C ATOM 1175 C GLY A 81 58.108 24.383 -10.455 1.00 45.13 C ATOM 1176 O GLY A 81 58.683 25.438 -10.711 1.00 47.50 O ATOM 1177 HA3 GLY A 81 59.184 23.145 -9.116 1.00 0.00 H ATOM 1178 HA2 GLY A 81 58.377 24.539 -8.360 1.00 0.00 H ATOM 1179 H GLY A 81 57.317 21.845 -8.700 1.00 0.00 H ATOM 1180 N ASP A 82 57.329 23.773 -11.337 1.00 45.08 N ATOM 1181 CA ASP A 82 57.149 24.344 -12.668 1.00 44.77 C ATOM 1182 C ASP A 82 56.191 25.541 -12.768 1.00 41.44 C ATOM 1183 O ASP A 82 55.536 25.727 -13.791 1.00 42.70 O ATOM 1184 CB ASP A 82 56.723 23.245 -13.649 1.00 44.83 C ATOM 1185 CG ASP A 82 55.593 22.388 -13.114 1.00 47.10 C ATOM 1186 OD1 ASP A 82 55.203 22.568 -11.938 1.00 46.90 O ATOM 1187 OD2 ASP A 82 55.098 21.526 -13.874 1.00 50.96 O ATOM 1188 HA ASP A 82 58.124 24.756 -12.928 1.00 0.00 H ATOM 1189 HB2 ASP A 82 56.396 23.714 -14.577 1.00 0.00 H ATOM 1190 HB3 ASP A 82 57.582 22.604 -13.850 1.00 0.00 H ATOM 1191 H ASP A 82 56.846 22.888 -11.081 1.00 0.00 H ATOM 1192 N ASN A 83 56.112 26.359 -11.723 1.00 37.82 N ATOM 1193 CA ASN A 83 55.234 27.531 -11.757 1.00 35.12 C ATOM 1194 C ASN A 83 56.020 28.828 -11.898 1.00 33.39 C ATOM 1195 O ASN A 83 57.062 28.999 -11.262 1.00 32.60 O ATOM 1196 CB ASN A 83 54.385 27.620 -10.486 1.00 34.06 C ATOM 1197 CG ASN A 83 53.280 26.594 -10.451 1.00 31.85 C ATOM 1198 OD1 ASN A 83 52.519 26.458 -11.409 1.00 33.37 O ATOM 1199 ND2 ASN A 83 53.177 25.868 -9.343 1.00 31.05 N ATOM 1200 HA ASN A 83 54.591 27.405 -12.628 1.00 0.00 H ATOM 1201 HB2 ASN A 83 55.032 27.466 -9.623 1.00 0.00 H ATOM 1202 HB3 ASN A 83 53.940 28.614 -10.432 1.00 0.00 H ATOM 1203 HD22 ASN A 83 53.843 26.018 -8.559 1.00 0.00 H ATOM 1204 HD21 ASN A 83 52.430 25.149 -9.260 1.00 0.00 H ATOM 1205 H ASN A 83 56.679 26.165 -10.873 1.00 0.00 H ATOM 1206 N ASN A 84 55.528 29.743 -12.730 1.00 30.37 N ATOM 1207 CA ASN A 84 56.203 31.024 -12.889 1.00 27.35 C ATOM 1208 C ASN A 84 55.943 31.795 -11.603 1.00 25.79 C ATOM 1209 O ASN A 84 55.259 31.295 -10.709 1.00 27.90 O ATOM 1210 CB ASN A 84 55.652 31.799 -14.090 1.00 25.84 C ATOM 1211 CG ASN A 84 54.156 31.987 -14.029 1.00 26.84 C ATOM 1212 OD1 ASN A 84 53.558 32.011 -12.953 1.00 32.59 O ATOM 1213 ND2 ASN A 84 53.539 32.141 -15.191 1.00 28.91 N ATOM 1214 HA ASN A 84 57.268 30.881 -13.071 1.00 0.00 H ATOM 1215 HB2 ASN A 84 56.126 32.780 -14.118 1.00 0.00 H ATOM 1216 HB3 ASN A 84 55.898 31.252 -15.000 1.00 0.00 H ATOM 1217 HD22 ASN A 84 54.084 32.114 -16.077 1.00 0.00 H ATOM 1218 HD21 ASN A 84 52.510 32.289 -15.218 1.00 0.00 H ATOM 1219 H ASN A 84 54.660 29.543 -13.267 1.00 0.00 H ATOM 1220 N ALA A 85 56.473 33.008 -11.508 1.00 23.89 N ATOM 1221 CA ALA A 85 56.296 33.816 -10.306 1.00 24.43 C ATOM 1222 C ALA A 85 54.832 33.958 -9.914 1.00 24.60 C ATOM 1223 O ALA A 85 54.459 33.730 -8.763 1.00 24.79 O ATOM 1224 CB ALA A 85 56.914 35.188 -10.506 1.00 23.85 C ATOM 1225 HA ALA A 85 56.802 33.298 -9.491 1.00 0.00 H ATOM 1226 HB1 ALA A 85 57.979 35.079 -10.712 1.00 0.00 H ATOM 1227 HB2 ALA A 85 56.429 35.684 -11.347 1.00 0.00 H ATOM 1228 HB3 ALA A 85 56.776 35.782 -9.603 1.00 0.00 H ATOM 1229 H ALA A 85 57.024 33.389 -12.304 1.00 0.00 H ATOM 1230 N CYS A 86 54.002 34.332 -10.878 1.00 25.06 N ATOM 1231 CA CYS A 86 52.582 34.513 -10.622 1.00 24.32 C ATOM 1232 C CYS A 86 51.886 33.242 -10.127 1.00 25.22 C ATOM 1233 O CYS A 86 51.279 33.240 -9.052 1.00 27.15 O ATOM 1234 CB CYS A 86 51.912 35.036 -11.886 1.00 21.49 C ATOM 1235 SG CYS A 86 50.093 35.015 -11.895 1.00 21.09 S ATOM 1236 HA CYS A 86 52.485 35.237 -9.813 1.00 0.00 H ATOM 1237 HB2 CYS A 86 52.256 34.427 -12.722 1.00 0.00 H ATOM 1238 HB3 CYS A 86 52.234 36.067 -12.032 1.00 0.00 H ATOM 1239 H CYS A 86 54.373 34.499 -11.835 1.00 0.00 H ATOM 1240 N ALA A 87 51.972 32.162 -10.896 1.00 22.45 N ATOM 1241 CA ALA A 87 51.334 30.909 -10.498 1.00 22.14 C ATOM 1242 C ALA A 87 51.817 30.455 -9.120 1.00 22.38 C ATOM 1243 O ALA A 87 51.031 30.010 -8.288 1.00 24.79 O ATOM 1244 CB ALA A 87 51.617 29.833 -11.528 1.00 20.72 C ATOM 1245 HA ALA A 87 50.259 31.080 -10.440 1.00 0.00 H ATOM 1246 HB1 ALA A 87 51.223 30.145 -12.495 1.00 0.00 H ATOM 1247 HB2 ALA A 87 52.693 29.679 -11.605 1.00 0.00 H ATOM 1248 HB3 ALA A 87 51.137 28.903 -11.222 1.00 0.00 H ATOM 1249 H ALA A 87 52.499 32.209 -11.791 1.00 0.00 H ATOM 1250 N ALA A 88 53.118 30.564 -8.886 1.00 19.74 N ATOM 1251 CA ALA A 88 53.686 30.172 -7.611 1.00 18.19 C ATOM 1252 C ALA A 88 53.028 30.974 -6.485 1.00 21.51 C ATOM 1253 O ALA A 88 52.582 30.408 -5.483 1.00 24.76 O ATOM 1254 CB ALA A 88 55.191 30.406 -7.624 1.00 9.43 C ATOM 1255 HA ALA A 88 53.500 29.112 -7.440 1.00 0.00 H ATOM 1256 HB1 ALA A 88 55.643 29.812 -8.419 1.00 0.00 H ATOM 1257 HB2 ALA A 88 55.392 31.463 -7.799 1.00 0.00 H ATOM 1258 HB3 ALA A 88 55.612 30.110 -6.663 1.00 0.00 H ATOM 1259 H ALA A 88 53.741 30.937 -9.630 1.00 0.00 H ATOM 1260 N SER A 89 52.955 32.290 -6.659 1.00 21.02 N ATOM 1261 CA SER A 89 52.360 33.164 -5.648 1.00 21.56 C ATOM 1262 C SER A 89 50.920 32.767 -5.339 1.00 22.38 C ATOM 1263 O SER A 89 50.538 32.581 -4.177 1.00 20.45 O ATOM 1264 CB SER A 89 52.383 34.613 -6.135 1.00 19.68 C ATOM 1265 OG SER A 89 53.685 34.976 -6.538 1.00 23.69 O ATOM 1266 HA SER A 89 52.950 33.062 -4.737 1.00 0.00 H ATOM 1267 HB2 SER A 89 52.061 35.269 -5.326 1.00 0.00 H ATOM 1268 HB3 SER A 89 51.703 34.719 -6.980 1.00 0.00 H ATOM 1269 HG SER A 89 53.979 34.383 -7.275 1.00 0.00 H ATOM 1270 H SER A 89 53.330 32.708 -7.534 1.00 0.00 H ATOM 1271 N VAL A 90 50.128 32.657 -6.400 1.00 21.32 N ATOM 1272 CA VAL A 90 48.730 32.296 -6.295 1.00 17.63 C ATOM 1273 C VAL A 90 48.607 30.973 -5.579 1.00 15.74 C ATOM 1274 O VAL A 90 47.897 30.859 -4.584 1.00 18.53 O ATOM 1275 CB VAL A 90 48.097 32.174 -7.687 1.00 20.36 C ATOM 1276 CG1 VAL A 90 46.623 31.817 -7.561 1.00 23.63 C ATOM 1277 CG2 VAL A 90 48.275 33.481 -8.442 1.00 15.09 C ATOM 1278 HA VAL A 90 48.210 33.075 -5.738 1.00 0.00 H ATOM 1279 HB VAL A 90 48.592 31.379 -8.244 1.00 0.00 H ATOM 1280 HG11 VAL A 90 46.524 30.866 -7.038 1.00 0.00 H ATOM 1281 HG12 VAL A 90 46.108 32.597 -7.000 1.00 0.00 H ATOM 1282 HG13 VAL A 90 46.185 31.733 -8.555 1.00 0.00 H ATOM 1283 HG21 VAL A 90 47.789 34.286 -7.891 1.00 0.00 H ATOM 1284 HG22 VAL A 90 49.338 33.698 -8.544 1.00 0.00 H ATOM 1285 HG23 VAL A 90 47.825 33.392 -9.431 1.00 0.00 H ATOM 1286 H VAL A 90 50.528 32.837 -7.343 1.00 0.00 H ATOM 1287 N CYS A 91 49.311 29.971 -6.090 1.00 18.71 N ATOM 1288 CA CYS A 91 49.279 28.651 -5.486 1.00 18.20 C ATOM 1289 C CYS A 91 49.491 28.770 -3.982 1.00 17.35 C ATOM 1290 O CYS A 91 48.669 28.320 -3.186 1.00 17.68 O ATOM 1291 CB CYS A 91 50.363 27.750 -6.084 1.00 18.19 C ATOM 1292 SG CYS A 91 50.159 26.000 -5.602 1.00 26.22 S ATOM 1293 HA CYS A 91 48.306 28.204 -5.688 1.00 0.00 H ATOM 1294 HB2 CYS A 91 51.337 28.097 -5.739 1.00 0.00 H ATOM 1295 HB3 CYS A 91 50.318 27.822 -7.171 1.00 0.00 H ATOM 1296 H CYS A 91 49.894 30.134 -6.936 1.00 0.00 H ATOM 1297 N ASP A 92 50.580 29.407 -3.589 1.00 16.91 N ATOM 1298 CA ASP A 92 50.868 29.530 -2.174 1.00 19.91 C ATOM 1299 C ASP A 92 49.800 30.285 -1.392 1.00 20.32 C ATOM 1300 O ASP A 92 49.566 29.991 -0.216 1.00 21.36 O ATOM 1301 CB ASP A 92 52.232 30.173 -1.971 1.00 24.82 C ATOM 1302 CG ASP A 92 52.993 29.529 -0.849 1.00 31.13 C ATOM 1303 OD1 ASP A 92 53.113 28.284 -0.872 1.00 34.46 O ATOM 1304 OD2 ASP A 92 53.467 30.254 0.052 1.00 38.63 O ATOM 1305 HA ASP A 92 50.872 28.517 -1.773 1.00 0.00 H ATOM 1306 HB2 ASP A 92 52.809 30.074 -2.891 1.00 0.00 H ATOM 1307 HB3 ASP A 92 52.093 31.230 -1.742 1.00 0.00 H ATOM 1308 H ASP A 92 51.227 29.818 -4.292 1.00 0.00 H ATOM 1309 N CYS A 93 49.159 31.262 -2.026 1.00 16.74 N ATOM 1310 CA CYS A 93 48.103 31.987 -1.341 1.00 16.19 C ATOM 1311 C CYS A 93 47.064 30.937 -0.967 1.00 17.28 C ATOM 1312 O CYS A 93 46.819 30.666 0.214 1.00 16.94 O ATOM 1313 CB CYS A 93 47.443 33.012 -2.262 1.00 17.59 C ATOM 1314 SG CYS A 93 48.400 34.514 -2.641 1.00 21.47 S ATOM 1315 HA CYS A 93 48.504 32.524 -0.481 1.00 0.00 H ATOM 1316 HB2 CYS A 93 46.510 33.325 -1.792 1.00 0.00 H ATOM 1317 HB3 CYS A 93 47.224 32.514 -3.206 1.00 0.00 H ATOM 1318 H CYS A 93 49.412 31.505 -3.005 1.00 0.00 H ATOM 1319 N ASP A 94 46.469 30.338 -1.996 1.00 17.90 N ATOM 1320 CA ASP A 94 45.451 29.316 -1.816 1.00 16.13 C ATOM 1321 C ASP A 94 45.874 28.233 -0.842 1.00 16.09 C ATOM 1322 O ASP A 94 45.106 27.843 0.045 1.00 12.83 O ATOM 1323 CB ASP A 94 45.102 28.679 -3.158 1.00 15.81 C ATOM 1324 CG ASP A 94 44.297 29.600 -4.039 1.00 18.28 C ATOM 1325 OD1 ASP A 94 43.827 30.642 -3.533 1.00 22.31 O ATOM 1326 OD2 ASP A 94 44.123 29.280 -5.232 1.00 18.31 O ATOM 1327 HA ASP A 94 44.578 29.815 -1.396 1.00 0.00 H ATOM 1328 HB2 ASP A 94 46.027 28.420 -3.674 1.00 0.00 H ATOM 1329 HB3 ASP A 94 44.523 27.774 -2.976 1.00 0.00 H ATOM 1330 H ASP A 94 46.742 30.610 -2.962 1.00 0.00 H ATOM 1331 N ARG A 95 47.100 27.752 -1.008 1.00 17.68 N ATOM 1332 CA ARG A 95 47.619 26.706 -0.144 1.00 22.46 C ATOM 1333 C ARG A 95 47.596 27.135 1.317 1.00 22.88 C ATOM 1334 O ARG A 95 47.058 26.418 2.168 1.00 19.08 O ATOM 1335 CB ARG A 95 49.040 26.330 -0.558 1.00 27.43 C ATOM 1336 CG ARG A 95 49.670 25.300 0.355 1.00 33.39 C ATOM 1337 CD ARG A 95 51.049 24.886 -0.133 1.00 39.14 C ATOM 1338 NE ARG A 95 51.754 24.118 0.891 1.00 46.63 N ATOM 1339 CZ ARG A 95 52.464 24.657 1.879 1.00 46.09 C ATOM 1340 NH1 ARG A 95 52.577 25.977 1.974 1.00 43.91 N ATOM 1341 NH2 ARG A 95 53.039 23.874 2.786 1.00 44.05 N ATOM 1342 HA ARG A 95 46.975 25.834 -0.252 1.00 0.00 H ATOM 1343 HB2 ARG A 95 49.012 25.926 -1.570 1.00 0.00 H ATOM 1344 HB3 ARG A 95 49.655 27.229 -0.544 1.00 0.00 H ATOM 1345 HG2 ARG A 95 49.761 25.723 1.356 1.00 0.00 H ATOM 1346 HG3 ARG A 95 49.028 24.420 0.391 1.00 0.00 H ATOM 1347 HD2 ARG A 95 51.627 25.779 -0.371 1.00 0.00 H ATOM 1348 HD3 ARG A 95 50.942 24.274 -1.029 1.00 0.00 H ATOM 1349 HE ARG A 95 51.697 23.081 0.844 1.00 0.00 H ATOM 1350 HH12 ARG A 95 53.132 26.397 2.747 1.00 0.00 H ATOM 1351 HH11 ARG A 95 52.110 26.590 1.276 1.00 0.00 H ATOM 1352 HH22 ARG A 95 53.594 24.294 3.559 1.00 0.00 H ATOM 1353 HH21 ARG A 95 52.934 22.841 2.723 1.00 0.00 H ATOM 1354 H ARG A 95 47.699 28.130 -1.769 1.00 0.00 H ATOM 1355 N LEU A 96 48.176 28.300 1.613 1.00 23.58 N ATOM 1356 CA LEU A 96 48.178 28.788 2.988 1.00 23.78 C ATOM 1357 C LEU A 96 46.749 28.883 3.507 1.00 22.62 C ATOM 1358 O LEU A 96 46.463 28.476 4.636 1.00 22.06 O ATOM 1359 CB LEU A 96 48.848 30.158 3.096 1.00 27.83 C ATOM 1360 CG LEU A 96 50.370 30.235 2.909 1.00 38.08 C ATOM 1361 CD1 LEU A 96 50.833 31.666 3.209 1.00 37.89 C ATOM 1362 CD2 LEU A 96 51.086 29.245 3.835 1.00 36.20 C ATOM 1363 HA LEU A 96 48.747 28.080 3.591 1.00 0.00 H ATOM 1364 HB2 LEU A 96 48.396 30.800 2.340 1.00 0.00 H ATOM 1365 HB3 LEU A 96 48.623 30.551 4.087 1.00 0.00 H ATOM 1366 HG LEU A 96 50.618 29.970 1.881 1.00 0.00 H ATOM 1367 HD21 LEU A 96 50.847 29.482 4.872 1.00 0.00 H ATOM 1368 HD22 LEU A 96 50.755 28.232 3.607 1.00 0.00 H ATOM 1369 HD23 LEU A 96 52.163 29.320 3.682 1.00 0.00 H ATOM 1370 HD11 LEU A 96 50.341 32.357 2.524 1.00 0.00 H ATOM 1371 HD12 LEU A 96 50.573 31.923 4.236 1.00 0.00 H ATOM 1372 HD13 LEU A 96 51.913 31.732 3.079 1.00 0.00 H ATOM 1373 H LEU A 96 48.627 28.861 0.862 1.00 0.00 H ATOM 1374 N ALA A 97 45.848 29.408 2.682 1.00 18.38 N ATOM 1375 CA ALA A 97 44.450 29.539 3.086 1.00 18.14 C ATOM 1376 C ALA A 97 43.837 28.196 3.505 1.00 16.33 C ATOM 1377 O ALA A 97 43.300 28.064 4.609 1.00 12.80 O ATOM 1378 CB ALA A 97 43.634 30.153 1.953 1.00 17.22 C ATOM 1379 HA ALA A 97 44.424 30.195 3.956 1.00 0.00 H ATOM 1380 HB1 ALA A 97 44.032 31.139 1.713 1.00 0.00 H ATOM 1381 HB2 ALA A 97 43.695 29.511 1.074 1.00 0.00 H ATOM 1382 HB3 ALA A 97 42.594 30.246 2.265 1.00 0.00 H ATOM 1383 H ALA A 97 46.142 29.729 1.738 1.00 0.00 H ATOM 1384 N ALA A 98 43.922 27.209 2.615 1.00 17.40 N ATOM 1385 CA ALA A 98 43.378 25.874 2.864 1.00 17.48 C ATOM 1386 C ALA A 98 43.874 25.312 4.188 1.00 19.95 C ATOM 1387 O ALA A 98 43.092 24.801 4.999 1.00 19.32 O ATOM 1388 CB ALA A 98 43.763 24.938 1.728 1.00 18.10 C ATOM 1389 HA ALA A 98 42.292 25.956 2.917 1.00 0.00 H ATOM 1390 HB1 ALA A 98 43.361 25.322 0.790 1.00 0.00 H ATOM 1391 HB2 ALA A 98 44.849 24.878 1.661 1.00 0.00 H ATOM 1392 HB3 ALA A 98 43.354 23.946 1.921 1.00 0.00 H ATOM 1393 H ALA A 98 44.394 27.395 1.707 1.00 0.00 H ATOM 1394 N ILE A 99 45.182 25.397 4.402 1.00 20.08 N ATOM 1395 CA ILE A 99 45.757 24.902 5.636 1.00 21.54 C ATOM 1396 C ILE A 99 45.178 25.698 6.802 1.00 21.44 C ATOM 1397 O ILE A 99 44.873 25.133 7.854 1.00 23.38 O ATOM 1398 CB ILE A 99 47.298 25.003 5.595 1.00 24.10 C ATOM 1399 CG1 ILE A 99 47.841 23.938 4.631 1.00 24.93 C ATOM 1400 CG2 ILE A 99 47.884 24.838 6.995 1.00 22.11 C ATOM 1401 CD1 ILE A 99 49.307 24.111 4.254 1.00 24.77 C ATOM 1402 HA ILE A 99 45.506 23.849 5.766 1.00 0.00 H ATOM 1403 HB ILE A 99 47.594 25.989 5.236 1.00 0.00 H ATOM 1404 HG12 ILE A 99 47.724 22.962 5.102 1.00 0.00 H ATOM 1405 HG13 ILE A 99 47.248 23.973 3.717 1.00 0.00 H ATOM 1406 HD11 ILE A 99 49.444 25.077 3.768 1.00 0.00 H ATOM 1407 HD12 ILE A 99 49.920 24.065 5.154 1.00 0.00 H ATOM 1408 HD13 ILE A 99 49.602 23.314 3.571 1.00 0.00 H ATOM 1409 HG21 ILE A 99 47.495 25.622 7.645 1.00 0.00 H ATOM 1410 HG22 ILE A 99 47.604 23.862 7.392 1.00 0.00 H ATOM 1411 HG23 ILE A 99 48.970 24.912 6.944 1.00 0.00 H ATOM 1412 H ILE A 99 45.797 25.822 3.679 1.00 0.00 H ATOM 1413 N CYS A 100 44.995 27.002 6.599 1.00 19.73 N ATOM 1414 CA CYS A 100 44.438 27.877 7.632 1.00 20.38 C ATOM 1415 C CYS A 100 43.013 27.430 7.955 1.00 21.51 C ATOM 1416 O CYS A 100 42.610 27.383 9.120 1.00 21.66 O ATOM 1417 CB CYS A 100 44.424 29.327 7.137 1.00 21.79 C ATOM 1418 SG CYS A 100 44.216 30.655 8.382 1.00 19.49 S ATOM 1419 HA CYS A 100 45.054 27.815 8.529 1.00 0.00 H ATOM 1420 HB2 CYS A 100 43.605 29.419 6.424 1.00 0.00 H ATOM 1421 HB3 CYS A 100 45.370 29.505 6.627 1.00 0.00 H ATOM 1422 H CYS A 100 45.256 27.411 5.679 1.00 0.00 H ATOM 1423 N PHE A 101 42.257 27.102 6.912 1.00 22.32 N ATOM 1424 CA PHE A 101 40.877 26.644 7.064 1.00 24.48 C ATOM 1425 C PHE A 101 40.769 25.393 7.936 1.00 24.82 C ATOM 1426 O PHE A 101 39.883 25.291 8.793 1.00 21.72 O ATOM 1427 CB PHE A 101 40.270 26.333 5.691 1.00 24.46 C ATOM 1428 CG PHE A 101 39.984 27.548 4.852 1.00 25.15 C ATOM 1429 CD1 PHE A 101 40.255 28.829 5.324 1.00 26.68 C ATOM 1430 CD2 PHE A 101 39.419 27.407 3.590 1.00 25.85 C ATOM 1431 CE1 PHE A 101 39.962 29.947 4.551 1.00 26.47 C ATOM 1432 CE2 PHE A 101 39.123 28.516 2.812 1.00 25.52 C ATOM 1433 CZ PHE A 101 39.395 29.790 3.293 1.00 25.25 C ATOM 1434 HA PHE A 101 40.332 27.451 7.554 1.00 0.00 H ATOM 1435 HB2 PHE A 101 40.967 25.697 5.145 1.00 0.00 H ATOM 1436 HB3 PHE A 101 39.334 25.796 5.845 1.00 0.00 H ATOM 1437 HD2 PHE A 101 39.205 26.410 3.206 1.00 0.00 H ATOM 1438 HE2 PHE A 101 38.678 28.388 1.825 1.00 0.00 H ATOM 1439 HZ PHE A 101 39.164 30.665 2.685 1.00 0.00 H ATOM 1440 HE1 PHE A 101 40.177 30.945 4.932 1.00 0.00 H ATOM 1441 HD1 PHE A 101 40.702 28.957 6.310 1.00 0.00 H ATOM 1442 H PHE A 101 42.661 27.174 5.956 1.00 0.00 H ATOM 1443 N ALA A 102 41.678 24.448 7.706 1.00 25.24 N ATOM 1444 CA ALA A 102 41.691 23.182 8.435 1.00 29.47 C ATOM 1445 C ALA A 102 41.912 23.349 9.924 1.00 31.33 C ATOM 1446 O ALA A 102 41.532 22.482 10.718 1.00 35.33 O ATOM 1447 CB ALA A 102 42.760 22.263 7.866 1.00 27.61 C ATOM 1448 HA ALA A 102 40.702 22.744 8.306 1.00 0.00 H ATOM 1449 HB1 ALA A 102 42.548 22.069 6.814 1.00 0.00 H ATOM 1450 HB2 ALA A 102 43.735 22.741 7.960 1.00 0.00 H ATOM 1451 HB3 ALA A 102 42.760 21.323 8.417 1.00 0.00 H ATOM 1452 H ALA A 102 42.405 24.617 6.982 1.00 0.00 H ATOM 1453 N GLY A 103 42.524 24.461 10.307 1.00 29.47 N ATOM 1454 CA GLY A 103 42.786 24.680 11.714 1.00 30.34 C ATOM 1455 C GLY A 103 41.902 25.679 12.437 1.00 32.63 C ATOM 1456 O GLY A 103 42.069 25.866 13.640 1.00 31.93 O ATOM 1457 HA3 GLY A 103 43.816 25.026 11.806 1.00 0.00 H ATOM 1458 HA2 GLY A 103 42.680 23.721 12.221 1.00 0.00 H ATOM 1459 H GLY A 103 42.813 25.170 9.603 1.00 0.00 H ATOM 1460 N ALA A 104 40.967 26.319 11.740 1.00 34.55 N ATOM 1461 CA ALA A 104 40.104 27.305 12.396 1.00 36.72 C ATOM 1462 C ALA A 104 38.711 26.768 12.720 1.00 38.77 C ATOM 1463 O ALA A 104 38.182 25.903 12.015 1.00 38.62 O ATOM 1464 CB ALA A 104 39.987 28.563 11.531 1.00 37.18 C ATOM 1465 HA ALA A 104 40.579 27.546 13.347 1.00 0.00 H ATOM 1466 HB1 ALA A 104 40.977 28.995 11.385 1.00 0.00 H ATOM 1467 HB2 ALA A 104 39.558 28.299 10.564 1.00 0.00 H ATOM 1468 HB3 ALA A 104 39.343 29.287 12.030 1.00 0.00 H ATOM 1469 H ALA A 104 40.848 26.119 10.726 1.00 0.00 H ATOM 1470 N PRO A 105 38.098 27.272 13.806 1.00 39.67 N ATOM 1471 CA PRO A 105 36.758 26.812 14.185 1.00 40.49 C ATOM 1472 C PRO A 105 35.749 27.292 13.157 1.00 38.73 C ATOM 1473 O PRO A 105 36.056 28.154 12.332 1.00 36.80 O ATOM 1474 CB PRO A 105 36.527 27.481 15.541 1.00 40.48 C ATOM 1475 CG PRO A 105 37.903 27.685 16.062 1.00 40.05 C ATOM 1476 CD PRO A 105 38.642 28.165 14.841 1.00 38.62 C ATOM 1477 HA PRO A 105 36.658 25.728 14.235 1.00 0.00 H ATOM 1478 HD3 PRO A 105 38.419 29.210 14.624 1.00 0.00 H ATOM 1479 HD2 PRO A 105 39.719 28.040 14.951 1.00 0.00 H ATOM 1480 HG3 PRO A 105 38.325 26.753 16.438 1.00 0.00 H ATOM 1481 HG2 PRO A 105 37.919 28.435 16.853 1.00 0.00 H ATOM 1482 HB2 PRO A 105 36.009 28.433 15.424 1.00 0.00 H ATOM 1483 HB3 PRO A 105 35.951 26.834 16.203 1.00 0.00 H ATOM 1484 N TYR A 106 34.547 26.738 13.204 1.00 34.92 N ATOM 1485 CA TYR A 106 33.525 27.160 12.270 1.00 35.17 C ATOM 1486 C TYR A 106 32.262 27.565 13.028 1.00 35.98 C ATOM 1487 O TYR A 106 31.647 26.747 13.711 1.00 37.37 O ATOM 1488 CB TYR A 106 33.233 26.036 11.269 1.00 29.65 C ATOM 1489 CG TYR A 106 32.341 26.452 10.118 1.00 27.95 C ATOM 1490 CD1 TYR A 106 30.972 26.659 10.305 1.00 28.70 C ATOM 1491 CD2 TYR A 106 32.869 26.661 8.844 1.00 27.30 C ATOM 1492 CE1 TYR A 106 30.153 27.064 9.254 1.00 32.68 C ATOM 1493 CE2 TYR A 106 32.059 27.068 7.781 1.00 30.34 C ATOM 1494 CZ TYR A 106 30.702 27.271 7.992 1.00 33.30 C ATOM 1495 OH TYR A 106 29.895 27.701 6.954 1.00 35.44 O ATOM 1496 HA TYR A 106 33.880 28.027 11.712 1.00 0.00 H ATOM 1497 HB3 TYR A 106 32.746 25.220 11.802 1.00 0.00 H ATOM 1498 HB2 TYR A 106 34.181 25.687 10.859 1.00 0.00 H ATOM 1499 HD2 TYR A 106 33.934 26.504 8.675 1.00 0.00 H ATOM 1500 HE2 TYR A 106 32.490 27.225 6.792 1.00 0.00 H ATOM 1501 HE1 TYR A 106 29.087 27.218 9.419 1.00 0.00 H ATOM 1502 HD1 TYR A 106 30.537 26.501 11.292 1.00 0.00 H ATOM 1503 HH TYR A 106 30.220 28.577 6.626 1.00 0.00 H ATOM 1504 H TYR A 106 34.338 26.003 13.909 1.00 0.00 H ATOM 1505 N ASN A 107 31.904 28.841 12.922 1.00 36.93 N ATOM 1506 CA ASN A 107 30.712 29.366 13.574 1.00 40.52 C ATOM 1507 C ASN A 107 29.637 29.510 12.515 1.00 41.43 C ATOM 1508 O ASN A 107 29.827 30.216 11.528 1.00 39.75 O ATOM 1509 CB ASN A 107 30.980 30.743 14.185 1.00 45.26 C ATOM 1510 CG ASN A 107 29.766 31.304 14.925 1.00 48.53 C ATOM 1511 OD1 ASN A 107 28.615 31.044 14.556 1.00 46.88 O ATOM 1512 ND2 ASN A 107 30.023 32.088 15.971 1.00 49.74 N ATOM 1513 HA ASN A 107 30.408 28.688 14.372 1.00 0.00 H ATOM 1514 HB2 ASN A 107 31.809 30.658 14.888 1.00 0.00 H ATOM 1515 HB3 ASN A 107 31.252 31.433 13.386 1.00 0.00 H ATOM 1516 HD22 ASN A 107 31.007 32.281 16.247 1.00 0.00 H ATOM 1517 HD21 ASN A 107 29.240 32.507 16.511 1.00 0.00 H ATOM 1518 H ASN A 107 32.493 29.484 12.356 1.00 0.00 H ATOM 1519 N ASP A 108 28.506 28.847 12.724 1.00 45.72 N ATOM 1520 CA ASP A 108 27.404 28.915 11.777 1.00 49.08 C ATOM 1521 C ASP A 108 26.727 30.283 11.793 1.00 47.52 C ATOM 1522 O ASP A 108 26.104 30.685 10.810 1.00 45.68 O ATOM 1523 CB ASP A 108 26.395 27.807 12.081 1.00 56.71 C ATOM 1524 CG ASP A 108 26.967 26.423 11.835 1.00 64.52 C ATOM 1525 OD1 ASP A 108 27.257 26.095 10.663 1.00 71.00 O ATOM 1526 OD2 ASP A 108 27.139 25.667 12.812 1.00 69.99 O ATOM 1527 HA ASP A 108 27.807 28.770 10.775 1.00 0.00 H ATOM 1528 HB2 ASP A 108 26.096 27.882 13.126 1.00 0.00 H ATOM 1529 HB3 ASP A 108 25.521 27.944 11.444 1.00 0.00 H ATOM 1530 H ASP A 108 28.406 28.268 13.582 1.00 0.00 H ATOM 1531 N ASP A 109 26.849 31.002 12.905 1.00 47.02 N ATOM 1532 CA ASP A 109 26.257 32.331 13.002 1.00 48.14 C ATOM 1533 C ASP A 109 26.953 33.282 12.037 1.00 48.38 C ATOM 1534 O ASP A 109 26.383 34.293 11.624 1.00 50.10 O ATOM 1535 CB ASP A 109 26.391 32.899 14.419 1.00 50.17 C ATOM 1536 CG ASP A 109 25.342 32.359 15.371 1.00 55.33 C ATOM 1537 OD1 ASP A 109 24.148 32.327 14.991 1.00 55.24 O ATOM 1538 OD2 ASP A 109 25.710 31.981 16.506 1.00 58.83 O ATOM 1539 HA ASP A 109 25.200 32.238 12.752 1.00 0.00 H ATOM 1540 HB2 ASP A 109 27.377 32.642 14.805 1.00 0.00 H ATOM 1541 HB3 ASP A 109 26.292 33.983 14.370 1.00 0.00 H ATOM 1542 H ASP A 109 27.373 30.612 13.715 1.00 0.00 H ATOM 1543 N ASN A 110 28.186 32.949 11.678 1.00 45.30 N ATOM 1544 CA ASN A 110 28.969 33.791 10.793 1.00 44.16 C ATOM 1545 C ASN A 110 28.883 33.428 9.318 1.00 44.74 C ATOM 1546 O ASN A 110 29.621 33.972 8.494 1.00 45.72 O ATOM 1547 CB ASN A 110 30.423 33.791 11.258 1.00 43.41 C ATOM 1548 CG ASN A 110 30.620 34.597 12.521 1.00 40.34 C ATOM 1549 OD1 ASN A 110 31.440 34.253 13.371 1.00 36.52 O ATOM 1550 ND2 ASN A 110 29.870 35.689 12.646 1.00 38.99 N ATOM 1551 HA ASN A 110 28.535 34.789 10.860 1.00 0.00 H ATOM 1552 HB2 ASN A 110 30.731 32.763 11.446 1.00 0.00 H ATOM 1553 HB3 ASN A 110 31.044 34.217 10.470 1.00 0.00 H ATOM 1554 HD22 ASN A 110 29.189 35.940 11.901 1.00 0.00 H ATOM 1555 HD21 ASN A 110 29.964 36.291 13.489 1.00 0.00 H ATOM 1556 H ASN A 110 28.600 32.066 12.039 1.00 0.00 H ATOM 1557 N TYR A 111 27.985 32.509 8.985 1.00 43.99 N ATOM 1558 CA TYR A 111 27.802 32.115 7.595 1.00 41.99 C ATOM 1559 C TYR A 111 26.749 33.061 7.015 1.00 40.06 C ATOM 1560 O TYR A 111 25.726 33.333 7.649 1.00 41.26 O ATOM 1561 CB TYR A 111 27.324 30.654 7.502 1.00 43.26 C ATOM 1562 CG TYR A 111 27.111 30.154 6.082 1.00 46.54 C ATOM 1563 CD1 TYR A 111 28.194 29.801 5.269 1.00 47.43 C ATOM 1564 CD2 TYR A 111 25.828 30.096 5.528 1.00 46.61 C ATOM 1565 CE1 TYR A 111 28.004 29.411 3.939 1.00 46.79 C ATOM 1566 CE2 TYR A 111 25.627 29.709 4.199 1.00 45.50 C ATOM 1567 CZ TYR A 111 26.720 29.372 3.411 1.00 48.70 C ATOM 1568 OH TYR A 111 26.535 29.019 2.092 1.00 50.49 O ATOM 1569 HA TYR A 111 28.739 32.179 7.042 1.00 0.00 H ATOM 1570 HB3 TYR A 111 26.380 30.569 8.039 1.00 0.00 H ATOM 1571 HB2 TYR A 111 28.071 30.019 7.979 1.00 0.00 H ATOM 1572 HD2 TYR A 111 24.968 30.358 6.144 1.00 0.00 H ATOM 1573 HE2 TYR A 111 24.620 29.672 3.785 1.00 0.00 H ATOM 1574 HE1 TYR A 111 28.859 29.139 3.320 1.00 0.00 H ATOM 1575 HD1 TYR A 111 29.203 29.830 5.679 1.00 0.00 H ATOM 1576 HH TYR A 111 27.411 28.811 1.681 1.00 0.00 H ATOM 1577 H TYR A 111 27.405 32.065 9.726 1.00 0.00 H ATOM 1578 N ASN A 112 27.022 33.581 5.825 1.00 37.51 N ATOM 1579 CA ASN A 112 26.114 34.486 5.137 1.00 37.35 C ATOM 1580 C ASN A 112 25.513 35.579 6.022 1.00 36.92 C ATOM 1581 O ASN A 112 24.294 35.692 6.143 1.00 34.46 O ATOM 1582 CB ASN A 112 24.983 33.691 4.491 1.00 39.08 C ATOM 1583 CG ASN A 112 24.016 34.574 3.727 1.00 41.46 C ATOM 1584 OD1 ASN A 112 22.897 34.165 3.417 1.00 42.51 O ATOM 1585 ND2 ASN A 112 24.447 35.795 3.416 1.00 40.35 N ATOM 1586 HA ASN A 112 26.721 34.996 4.389 1.00 0.00 H ATOM 1587 HB2 ASN A 112 25.415 32.966 3.801 1.00 0.00 H ATOM 1588 HB3 ASN A 112 24.434 33.165 5.272 1.00 0.00 H ATOM 1589 HD22 ASN A 112 25.401 36.097 3.699 1.00 0.00 H ATOM 1590 HD21 ASN A 112 23.830 36.446 2.890 1.00 0.00 H ATOM 1591 H ASN A 112 27.921 33.332 5.366 1.00 0.00 H ATOM 1592 N ILE A 113 26.365 36.381 6.648 1.00 37.71 N ATOM 1593 CA ILE A 113 25.870 37.467 7.486 1.00 37.03 C ATOM 1594 C ILE A 113 25.597 38.640 6.557 1.00 35.00 C ATOM 1595 O ILE A 113 26.145 38.703 5.459 1.00 34.30 O ATOM 1596 CB ILE A 113 26.908 37.901 8.557 1.00 37.42 C ATOM 1597 CG1 ILE A 113 28.197 38.363 7.874 1.00 34.26 C ATOM 1598 CG2 ILE A 113 27.161 36.755 9.540 1.00 35.29 C ATOM 1599 CD1 ILE A 113 29.295 38.761 8.837 1.00 33.55 C ATOM 1600 HA ILE A 113 24.979 37.138 8.020 1.00 0.00 H ATOM 1601 HB ILE A 113 26.515 38.742 9.129 1.00 0.00 H ATOM 1602 HG12 ILE A 113 28.566 37.549 7.251 1.00 0.00 H ATOM 1603 HG13 ILE A 113 27.963 39.223 7.246 1.00 0.00 H ATOM 1604 HD11 ILE A 113 28.948 39.584 9.462 1.00 0.00 H ATOM 1605 HD12 ILE A 113 29.551 37.909 9.466 1.00 0.00 H ATOM 1606 HD13 ILE A 113 30.174 39.076 8.274 1.00 0.00 H ATOM 1607 HG21 ILE A 113 26.227 36.489 10.034 1.00 0.00 H ATOM 1608 HG22 ILE A 113 27.546 35.891 8.998 1.00 0.00 H ATOM 1609 HG23 ILE A 113 27.890 37.072 10.286 1.00 0.00 H ATOM 1610 H ILE A 113 27.389 36.235 6.541 1.00 0.00 H ATOM 1611 N ASP A 114 24.750 39.564 6.990 1.00 36.09 N ATOM 1612 CA ASP A 114 24.428 40.720 6.166 1.00 38.23 C ATOM 1613 C ASP A 114 25.673 41.556 5.896 1.00 39.08 C ATOM 1614 O ASP A 114 26.132 42.304 6.757 1.00 40.24 O ATOM 1615 CB ASP A 114 23.384 41.594 6.852 1.00 40.54 C ATOM 1616 CG ASP A 114 22.896 42.710 5.959 1.00 43.86 C ATOM 1617 OD1 ASP A 114 23.723 43.271 5.204 1.00 41.42 O ATOM 1618 OD2 ASP A 114 21.691 43.031 6.015 1.00 46.00 O ATOM 1619 HA ASP A 114 24.030 40.351 5.221 1.00 0.00 H ATOM 1620 HB2 ASP A 114 22.534 40.971 7.132 1.00 0.00 H ATOM 1621 HB3 ASP A 114 23.825 42.029 7.749 1.00 0.00 H ATOM 1622 H ASP A 114 24.312 39.462 7.927 1.00 0.00 H ATOM 1623 N LEU A 115 26.215 41.431 4.692 1.00 39.69 N ATOM 1624 CA LEU A 115 27.402 42.181 4.323 1.00 37.20 C ATOM 1625 C LEU A 115 27.140 43.681 4.406 1.00 38.14 C ATOM 1626 O LEU A 115 27.830 44.390 5.116 1.00 36.24 O ATOM 1627 CB LEU A 115 27.831 41.813 2.903 1.00 39.84 C ATOM 1628 CG LEU A 115 29.191 41.160 2.633 1.00 42.84 C ATOM 1629 CD1 LEU A 115 29.871 41.924 1.517 1.00 42.26 C ATOM 1630 CD2 LEU A 115 30.069 41.173 3.860 1.00 44.31 C ATOM 1631 HA LEU A 115 28.199 41.926 5.021 1.00 0.00 H ATOM 1632 HB2 LEU A 115 27.076 41.127 2.519 1.00 0.00 H ATOM 1633 HB3 LEU A 115 27.810 42.736 2.324 1.00 0.00 H ATOM 1634 HG LEU A 115 29.032 40.119 2.353 1.00 0.00 H ATOM 1635 HD21 LEU A 115 30.238 42.203 4.173 1.00 0.00 H ATOM 1636 HD22 LEU A 115 29.577 40.624 4.663 1.00 0.00 H ATOM 1637 HD23 LEU A 115 31.024 40.701 3.627 1.00 0.00 H ATOM 1638 HD11 LEU A 115 29.252 41.884 0.621 1.00 0.00 H ATOM 1639 HD12 LEU A 115 30.007 42.962 1.820 1.00 0.00 H ATOM 1640 HD13 LEU A 115 30.842 41.474 1.310 1.00 0.00 H ATOM 1641 H LEU A 115 25.783 40.785 4.001 1.00 0.00 H ATOM 1642 N LYS A 116 26.126 44.162 3.695 1.00 40.26 N ATOM 1643 CA LYS A 116 25.809 45.588 3.685 1.00 41.49 C ATOM 1644 C LYS A 116 25.816 46.298 5.039 1.00 40.30 C ATOM 1645 O LYS A 116 26.362 47.389 5.149 1.00 40.65 O ATOM 1646 CB LYS A 116 24.462 45.824 2.985 1.00 48.09 C ATOM 1647 CG LYS A 116 24.565 45.824 1.459 1.00 53.23 C ATOM 1648 CD LYS A 116 23.219 46.020 0.766 1.00 58.20 C ATOM 1649 CE LYS A 116 23.400 46.104 -0.751 1.00 60.15 C ATOM 1650 NZ LYS A 116 22.106 46.238 -1.483 1.00 62.11 N ATOM 1651 HA LYS A 116 26.635 46.039 3.135 1.00 0.00 H ATOM 1652 HB2 LYS A 116 23.773 45.035 3.286 1.00 0.00 H ATOM 1653 HB3 LYS A 116 24.070 46.789 3.306 1.00 0.00 H ATOM 1654 HG2 LYS A 116 25.232 46.631 1.156 1.00 0.00 H ATOM 1655 HG3 LYS A 116 24.984 44.870 1.140 1.00 0.00 H ATOM 1656 HD2 LYS A 116 22.568 45.179 1.003 1.00 0.00 H ATOM 1657 HD3 LYS A 116 22.763 46.943 1.124 1.00 0.00 H ATOM 1658 HE2 LYS A 116 23.901 45.198 -1.093 1.00 0.00 H ATOM 1659 HE3 LYS A 116 24.021 46.970 -0.980 1.00 0.00 H ATOM 1660 HZ1 LYS A 116 21.507 45.412 -1.280 1.00 0.00 H ATOM 1661 HZ2 LYS A 116 21.622 47.104 -1.172 1.00 0.00 H ATOM 1662 HZ3 LYS A 116 22.291 46.290 -2.505 1.00 0.00 H ATOM 1663 H LYS A 116 25.545 43.508 3.133 1.00 0.00 H ATOM 1664 N ALA A 117 25.230 45.690 6.070 1.00 39.23 N ATOM 1665 CA ALA A 117 25.177 46.333 7.385 1.00 35.98 C ATOM 1666 C ALA A 117 26.351 46.003 8.307 1.00 35.11 C ATOM 1667 O ALA A 117 26.609 46.728 9.271 1.00 34.56 O ATOM 1668 CB ALA A 117 23.862 46.005 8.069 1.00 30.03 C ATOM 1669 HA ALA A 117 25.253 47.403 7.193 1.00 0.00 H ATOM 1670 HB1 ALA A 117 23.036 46.368 7.458 1.00 0.00 H ATOM 1671 HB2 ALA A 117 23.778 44.925 8.193 1.00 0.00 H ATOM 1672 HB3 ALA A 117 23.832 46.487 9.046 1.00 0.00 H ATOM 1673 H ALA A 117 24.806 44.749 5.940 1.00 0.00 H ATOM 1674 N ARG A 118 27.053 44.912 8.013 1.00 35.74 N ATOM 1675 CA ARG A 118 28.214 44.505 8.803 1.00 38.12 C ATOM 1676 C ARG A 118 29.516 44.562 7.988 1.00 41.70 C ATOM 1677 O ARG A 118 30.593 44.386 8.548 1.00 35.89 O ATOM 1678 CB ARG A 118 27.984 43.110 9.398 1.00 36.20 C ATOM 1679 CG ARG A 118 26.919 43.129 10.488 1.00 35.45 C ATOM 1680 CD ARG A 118 26.256 41.785 10.707 1.00 37.60 C ATOM 1681 NE ARG A 118 26.923 40.988 11.731 1.00 40.90 N ATOM 1682 CZ ARG A 118 26.497 39.796 12.134 1.00 37.99 C ATOM 1683 NH1 ARG A 118 25.409 39.273 11.596 1.00 41.17 N ATOM 1684 NH2 ARG A 118 27.156 39.127 13.071 1.00 38.04 N ATOM 1685 HA ARG A 118 28.330 45.216 9.621 1.00 0.00 H ATOM 1686 HB2 ARG A 118 27.665 42.435 8.604 1.00 0.00 H ATOM 1687 HB3 ARG A 118 28.920 42.749 9.825 1.00 0.00 H ATOM 1688 HG2 ARG A 118 27.386 43.440 11.422 1.00 0.00 H ATOM 1689 HG3 ARG A 118 26.152 43.851 10.209 1.00 0.00 H ATOM 1690 HD2 ARG A 118 26.272 41.231 9.768 1.00 0.00 H ATOM 1691 HD3 ARG A 118 25.223 41.951 11.012 1.00 0.00 H ATOM 1692 HE ARG A 118 27.782 41.376 12.171 1.00 0.00 H ATOM 1693 HH12 ARG A 118 25.071 38.340 11.908 1.00 0.00 H ATOM 1694 HH11 ARG A 118 24.890 39.794 10.861 1.00 0.00 H ATOM 1695 HH22 ARG A 118 26.816 38.194 13.381 1.00 0.00 H ATOM 1696 HH21 ARG A 118 28.013 39.535 13.496 1.00 0.00 H ATOM 1697 H ARG A 118 26.768 44.332 7.198 1.00 0.00 H ATOM 1698 N CYS A 119 29.430 44.817 6.644 1.00 51.36 N ATOM 1699 CA CYS A 119 30.611 44.952 5.758 1.00 59.86 C ATOM 1700 C CYS A 119 30.354 45.110 4.211 1.00 70.69 C ATOM 1701 O CYS A 119 31.251 44.788 3.416 1.00 74.82 O ATOM 1702 CB CYS A 119 31.576 43.776 5.999 1.00 52.14 C ATOM 1703 SG CYS A 119 30.782 42.264 6.632 1.00 37.54 S ATOM 1704 HA CYS A 119 31.035 45.913 6.048 1.00 0.00 H ATOM 1705 HB2 CYS A 119 32.327 44.094 6.722 1.00 0.00 H ATOM 1706 HB3 CYS A 119 32.062 43.535 5.054 1.00 0.00 H ATOM 1707 H CYS A 119 28.485 44.921 6.223 1.00 0.00 H ATOM 1708 N ASN A 120 29.183 45.573 3.754 1.00 77.76 N ATOM 1709 CA ASN A 120 28.906 45.823 2.316 1.00 85.60 C ATOM 1710 C ASN A 120 28.454 44.670 1.394 1.00 88.80 C ATOM 1711 O ASN A 120 29.177 44.324 0.429 1.00 88.69 O ATOM 1712 CB ASN A 120 30.111 46.553 1.687 1.00 86.67 C ATOM 1713 CG ASN A 120 30.441 47.861 2.411 1.00 87.96 C ATOM 1714 OD1 ASN A 120 30.445 47.910 3.639 1.00 87.56 O ATOM 1715 ND2 ASN A 120 30.721 48.921 1.652 1.00 89.07 N ATOM 1716 HA ASN A 120 27.995 46.420 2.366 1.00 0.00 H ATOM 1717 OXT ASN A 120 27.346 44.142 1.627 1.00 93.73 O ATOM 1718 HB2 ASN A 120 30.981 45.898 1.733 1.00 0.00 H ATOM 1719 HB3 ASN A 120 29.881 46.777 0.645 1.00 0.00 H ATOM 1720 HD22 ASN A 120 30.707 48.837 0.616 1.00 0.00 H ATOM 1721 HD21 ASN A 120 30.954 49.832 2.097 1.00 0.00 H ATOM 1722 H ASN A 120 28.428 45.768 4.442 1.00 0.00 H TER 1723 ASN A 120 HETATM 1724 O HOH 1 41.880 23.788 -13.699 1.00 47.64 O HETATM 1725 O HOH 2 43.744 30.402 -7.358 1.00 8.38 O HETATM 1726 O HOH 3 40.422 39.392 -6.107 1.00 26.94 O HETATM 1727 O HOH 4 28.763 38.097 2.807 1.00 55.33 O HETATM 1728 O HOH 5 38.653 17.799 7.555 1.00 30.00 O HETATM 1729 O HOH 6 37.304 41.545 17.172 1.00 14.00 O HETATM 1730 O HOH 7 47.752 41.114 5.538 1.00 20.82 O HETATM 1731 O HOH 8 42.512 31.145 14.000 1.00 32.68 O HETATM 1732 O HOH 9 44.259 33.269 11.887 1.00 37.74 O HETATM 1733 O HOH 10 52.490 37.279 -3.065 1.00 39.82 O HETATM 1734 O HOH 11 21.344 45.167 4.557 1.00 21.45 O HETATM 1735 O HOH 12 54.661 41.157 -4.148 1.00 54.95 O HETATM 1736 O HOH 13 46.543 45.331 -6.584 1.00 40.47 O HETATM 1737 O HOH 14 25.797 26.244 5.022 1.00 36.20 O HETATM 1738 O HOH 15 51.190 16.203 -2.518 1.00 30.85 O HETATM 1739 O HOH 16 53.007 29.051 -15.317 1.00 40.00 O HETATM 1740 O HOH 17 57.300 19.750 -7.176 1.00 45.41 O HETATM 1741 O HOH 18 52.904 15.463 -8.309 1.00 55.17 O HETATM 1742 O HOH 19 49.153 19.797 3.560 1.00 35.93 O HETATM 1743 O HOH 20 52.870 34.667 -1.287 1.00 25.65 O HETATM 1744 O HOH 21 56.775 33.859 -6.043 1.00 37.98 O HETATM 1745 O HOH 22 59.339 32.223 -9.984 1.00 49.70 O HETATM 1746 O HOH 23 53.203 33.939 4.519 1.00 44.94 O HETATM 1747 O HOH 24 37.219 25.529 9.619 1.00 34.01 O HETATM 1748 O HOH 25 41.075 19.572 9.767 1.00 50.72 O HETATM 1749 O HOH 26 34.833 23.272 13.420 1.00 35.43 O HETATM 1750 O HOH 27 26.920 25.435 7.405 1.00 45.14 O HETATM 1751 O HOH 28 45.289 15.729 5.248 1.00 41.91 O HETATM 1752 O HOH 29 43.013 15.220 6.942 1.00 36.59 O HETATM 1753 O HOH 30 30.420 16.795 4.601 1.00 71.02 O HETATM 1754 O HOH 31 26.917 36.215 13.119 1.00 43.58 O HETATM 1755 O HOH 32 31.343 36.661 2.611 1.00 40.82 O HETATM 1756 O HOH 33 28.522 22.526 -1.663 1.00 58.77 O HETATM 1757 O HOH 34 29.478 20.259 6.177 1.00 47.92 O HETATM 1758 O HOH 35 33.984 44.386 10.124 1.00 51.58 O HETATM 1759 O HOH 36 48.412 13.067 -7.964 1.00 30.01 O HETATM 1760 O HOH 37 52.375 25.159 -14.106 1.00 39.08 O HETATM 1761 O HOH 38 52.867 33.882 1.184 1.00 30.83 O HETATM 1762 O HOH 39 28.348 37.988 -5.725 1.00 36.99 O HETATM 1763 O HOH 40 29.038 23.996 12.211 1.00 63.42 O HETATM 1764 O HOH 41 27.277 37.489 -1.868 1.00 77.77 O HETATM 1765 O HOH 42 34.972 24.145 16.726 1.00 36.35 O HETATM 1766 O HOH 43 20.511 44.384 1.424 1.00 55.16 O HETATM 1767 O HOH 44 38.445 41.580 -5.434 1.00 58.64 O HETATM 1768 O HOH 45 25.508 23.387 11.340 1.00 45.38 O HETATM 1769 O HOH 46 27.277 20.936 10.690 1.00 76.83 O HETATM 1770 O HOH 47 39.213 44.067 16.926 1.00 59.86 O HETATM 1771 O HOH 48 58.106 41.578 -0.264 1.00 66.61 O HETATM 1772 O HOH 49 55.576 40.045 0.352 1.00 44.22 O HETATM 1773 O HOH 50 35.229 38.046 -4.168 1.00 62.35 O HETATM 1774 O HOH 51 27.571 26.528 -3.658 1.00 41.48 O HETATM 1775 O HOH 52 29.677 24.279 -9.662 1.00 71.35 O HETATM 1776 O HOH 53 33.180 28.307 -7.136 1.00 53.30 O HETATM 1777 O HOH 54 28.950 28.355 -5.798 1.00 56.88 O HETATM 1778 O HOH 55 36.964 31.243 0.584 1.00 40.41 O HETATM 1779 N LEU A 56 29.014 27.536 -10.392 1.00 0.24 N HETATM 1780 CA LEU A 56 29.532 28.685 -11.174 1.00 0.07 C HETATM 1781 C LEU A 56 30.178 29.767 -10.328 1.00 0.23 C HETATM 1782 O LEU A 56 30.862 30.618 -10.866 1.00 -0.39 O HETATM 1783 N LEU A 56 30.041 29.739 -9.008 1.00 -0.26 N HETATM 1784 CA LEU A 56 30.622 30.861 -8.275 1.00 0.13 C HETATM 1785 C LEU A 56 31.445 30.662 -6.988 1.00 0.20 C HETATM 1786 O LEU A 56 31.290 29.712 -6.226 1.00 -0.39 O HETATM 1787 N LEU A 56 32.331 31.644 -6.842 1.00 -0.26 N HETATM 1788 CA LEU A 56 33.367 31.920 -5.839 1.00 0.13 C HETATM 1789 C LEU A 56 33.346 31.648 -4.321 1.00 0.20 C HETATM 1790 O LEU A 56 32.319 31.511 -3.669 1.00 -0.39 O HETATM 1791 N LEU A 56 34.570 31.598 -3.805 1.00 -0.26 N HETATM 1792 CA LEU A 56 34.950 31.439 -2.404 1.00 0.14 C HETATM 1793 C LEU A 56 35.712 32.758 -2.332 1.00 0.20 C HETATM 1794 O LEU A 56 35.118 33.815 -2.311 1.00 -0.39 O HETATM 1795 N LEU A 56 37.036 32.709 -2.366 1.00 -0.28 N HETATM 1796 CA LEU A 56 37.800 33.956 -2.361 1.00 0.09 C HETATM 1797 C LEU A 56 39.179 33.870 -3.035 1.00 0.07 C HETATM 1798 O LEU A 56 39.280 34.498 -4.114 1.00 -0.39 O HETATM 1799 H43 LEU A 56 39.108 35.420 -3.960 1.00 0.21 H HETATM 1800 H41 LEU A 56 39.396 32.810 -3.235 1.00 0.06 H HETATM 1801 H42 LEU A 56 39.927 34.271 -2.335 1.00 0.06 H HETATM 1802 CB LEU A 56 37.937 34.513 -0.927 1.00 0.07 C HETATM 1803 OG LEU A 56 38.349 33.525 0.004 1.00 -0.39 O HETATM 1804 H46 LEU A 56 37.709 32.823 0.023 1.00 0.21 H HETATM 1805 H44 LEU A 56 36.962 34.912 -0.609 1.00 0.06 H HETATM 1806 H45 LEU A 56 38.681 35.323 -0.933 1.00 0.06 H HETATM 1807 H40 LEU A 56 37.213 34.684 -2.940 1.00 0.06 H HETATM 1808 H39 LEU A 56 37.508 31.828 -2.395 1.00 0.19 H HETATM 1809 CB LEU A 56 35.955 30.282 -2.216 1.00 0.02 C HETATM 1810 CG LEU A 56 35.709 29.089 -3.118 1.00 -0.05 C HETATM 1811 CD1 LEU A 56 35.340 29.287 -4.444 1.00 -0.07 C HETATM 1812 CE1 LEU A 56 35.099 28.250 -5.307 1.00 -0.04 C HETATM 1813 CZ LEU A 56 35.225 26.960 -4.876 1.00 0.08 C HETATM 1814 CE2 LEU A 56 35.599 26.696 -3.547 1.00 -0.04 C HETATM 1815 CD2 LEU A 56 35.840 27.773 -2.665 1.00 -0.07 C HETATM 1816 H35 LEU A 56 36.126 27.579 -1.638 1.00 0.05 H HETATM 1817 H37 LEU A 56 35.702 25.674 -3.201 1.00 0.05 H HETATM 1818 OH LEU A 56 34.989 25.964 -5.796 1.00 -0.34 O HETATM 1819 H38 LEU A 56 34.750 26.354 -6.629 1.00 0.25 H HETATM 1820 H36 LEU A 56 34.809 28.453 -6.331 1.00 0.05 H HETATM 1821 H34 LEU A 56 35.239 30.302 -4.810 1.00 0.05 H HETATM 1822 H32 LEU A 56 35.897 29.942 -1.171 1.00 0.05 H HETATM 1823 H33 LEU A 56 36.965 30.666 -2.421 1.00 0.05 H HETATM 1824 H31 LEU A 56 34.100 31.354 -1.711 1.00 0.08 H HETATM 1825 H30 LEU A 56 35.324 31.679 -4.457 1.00 0.19 H HETATM 1826 CB LEU A 56 33.772 33.410 -5.981 1.00 -0.00 C HETATM 1827 CG1 LEU A 56 33.945 33.766 -7.456 1.00 -0.05 C HETATM 1828 CD1 LEU A 56 32.705 34.427 -8.074 1.00 -0.06 C HETATM 1829 H27 LEU A 56 32.900 34.655 -9.132 1.00 0.02 H HETATM 1830 H28 LEU A 56 32.478 35.358 -7.534 1.00 0.02 H HETATM 1831 H29 LEU A 56 31.848 33.742 -7.998 1.00 0.02 H HETATM 1832 H22 LEU A 56 34.163 32.843 -8.014 1.00 0.03 H HETATM 1833 H23 LEU A 56 34.793 34.460 -7.550 1.00 0.03 H HETATM 1834 CG2 LEU A 56 35.043 33.673 -5.264 1.00 -0.06 C HETATM 1835 H24 LEU A 56 34.924 33.418 -4.201 1.00 0.02 H HETATM 1836 H25 LEU A 56 35.304 34.737 -5.359 1.00 0.02 H HETATM 1837 H26 LEU A 56 35.844 33.059 -5.701 1.00 0.02 H HETATM 1838 H21 LEU A 56 32.979 34.038 -5.549 1.00 0.03 H HETATM 1839 H20 LEU A 56 34.213 31.312 -6.191 1.00 0.08 H HETATM 1840 H19 LEU A 56 32.281 32.335 -7.563 1.00 0.19 H HETATM 1841 CB LEU A 56 29.556 31.899 -8.048 1.00 -0.02 C HETATM 1842 H16 LEU A 56 29.984 32.749 -7.496 1.00 0.03 H HETATM 1843 H17 LEU A 56 28.734 31.459 -7.464 1.00 0.03 H HETATM 1844 H18 LEU A 56 29.171 32.248 -9.018 1.00 0.03 H HETATM 1845 H15 LEU A 56 31.341 31.300 -8.983 1.00 0.08 H HETATM 1846 H14 LEU A 56 29.567 28.992 -8.542 1.00 0.19 H HETATM 1847 CB LEU A 56 28.414 29.320 -12.039 1.00 0.01 C HETATM 1848 CG LEU A 56 27.093 29.732 -11.380 1.00 -0.04 C HETATM 1849 CD1 LEU A 56 26.987 31.249 -11.244 1.00 -0.06 C HETATM 1850 H8 LEU A 56 26.030 31.509 -10.769 1.00 0.02 H HETATM 1851 H9 LEU A 56 27.038 31.711 -12.241 1.00 0.02 H HETATM 1852 H10 LEU A 56 27.817 31.620 -10.624 1.00 0.02 H HETATM 1853 CD2 LEU A 56 25.947 29.218 -12.249 1.00 -0.06 C HETATM 1854 H11 LEU A 56 26.023 28.125 -12.347 1.00 0.02 H HETATM 1855 H12 LEU A 56 26.006 29.681 -13.245 1.00 0.02 H HETATM 1856 H13 LEU A 56 24.986 29.478 -11.780 1.00 0.02 H HETATM 1857 H7 LEU A 56 27.030 29.278 -10.380 1.00 0.03 H HETATM 1858 H5 LEU A 56 28.166 28.593 -12.826 1.00 0.03 H HETATM 1859 H6 LEU A 56 28.839 30.225 -12.497 1.00 0.03 H HETATM 1860 H4 LEU A 56 30.304 28.292 -11.851 1.00 0.11 H HETATM 1861 H1 LEU A 56 28.602 26.862 -11.018 1.00 0.20 H HETATM 1862 H2 LEU A 56 28.316 27.860 -9.741 1.00 0.20 H HETATM 1863 H3 LEU A 56 29.772 27.105 -9.886 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 188 187 1051 CONECT 404 403 1703 CONECT 435 434 639 CONECT 629 628 1418 CONECT 639 435 638 CONECT 722 721 1314 CONECT 858 857 1235 CONECT 1051 188 1050 CONECT 1146 1145 1292 CONECT 1235 858 1234 CONECT 1292 1146 1291 CONECT 1314 722 1313 CONECT 1418 629 1417 CONECT 1703 404 1702 CONECT 1779 1780 1861 1862 1863 CONECT 1780 1779 1781 1847 1860 CONECT 1781 1780 1782 1783 CONECT 1782 1781 CONECT 1783 1781 1784 1846 CONECT 1784 1783 1785 1841 1845 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 1840 CONECT 1788 1787 1789 1826 1839 CONECT 1789 1788 1790 1791 CONECT 1790 1789 CONECT 1791 1789 1792 1825 CONECT 1792 1791 1793 1809 1824 CONECT 1793 1792 1794 1795 CONECT 1794 1793 CONECT 1795 1793 1796 1808 CONECT 1796 1795 1797 1802 1807 CONECT 1797 1796 1798 1800 1801 CONECT 1798 1797 1799 CONECT 1799 1798 CONECT 1800 1797 CONECT 1801 1797 CONECT 1802 1796 1803 1805 1806 CONECT 1803 1802 1804 CONECT 1804 1803 CONECT 1805 1802 CONECT 1806 1802 CONECT 1807 1796 CONECT 1808 1795 CONECT 1809 1792 1810 1822 1823 CONECT 1810 1809 1811 1815 CONECT 1811 1810 1812 1821 CONECT 1812 1811 1813 1820 CONECT 1813 1812 1814 1818 CONECT 1814 1813 1815 1817 CONECT 1815 1810 1814 1816 CONECT 1816 1815 CONECT 1817 1814 CONECT 1818 1813 1819 CONECT 1819 1818 CONECT 1820 1812 CONECT 1821 1811 CONECT 1822 1809 CONECT 1823 1809 CONECT 1824 1792 CONECT 1825 1791 CONECT 1826 1788 1827 1834 1838 CONECT 1827 1826 1828 1832 1833 CONECT 1828 1827 1829 1830 1831 CONECT 1829 1828 CONECT 1830 1828 CONECT 1831 1828 CONECT 1832 1827 CONECT 1833 1827 CONECT 1834 1826 1835 1836 1837 CONECT 1835 1834 CONECT 1836 1834 CONECT 1837 1834 CONECT 1838 1826 CONECT 1839 1788 CONECT 1840 1787 CONECT 1841 1784 1842 1843 1844 CONECT 1842 1841 CONECT 1843 1841 CONECT 1844 1841 CONECT 1845 1784 CONECT 1846 1783 CONECT 1847 1780 1848 1858 1859 CONECT 1848 1847 1849 1853 1857 CONECT 1849 1848 1850 1851 1852 CONECT 1850 1849 CONECT 1851 1849 CONECT 1852 1849 CONECT 1853 1848 1854 1855 1856 CONECT 1854 1853 CONECT 1855 1853 CONECT 1856 1853 CONECT 1857 1848 CONECT 1858 1847 CONECT 1859 1847 CONECT 1860 1780 CONECT 1861 1779 CONECT 1862 1779 CONECT 1863 1779 MASTER 0 0 0 0 0 0 0 0 1862 1 103 10 END
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Related entries of code: 1t37
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mf4
RCSB PDB
PDBbind
119aa, >1MF4_1|Chain... *
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PDBbind
119aa, >1OXR_1|Chain... at 98%
1td7
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PDBbind
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1zm6
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PDBbind
119aa, >1ZM6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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RCSB PDB
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5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
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PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1t37
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phospholipase a2 isoform 3
Ligand Name
5-mer
EC.Number
E.C.3.1.1.4
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=45uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Drug Target. v13 pp. 367-74, 2005
Ligand Properties
Formula
C
2
7
H
4
6
N
5
O
7
Molecular Weight
552.683
Exact Mass
552.340
No. of atoms
85
No. of bonds
85
Polar Surface Area
204.73
LOGP Value
0.85 (
Computed with XLOGP3
)
0.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC(CO)CO)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C)C
InChI String
InChI=1S/C27H45N5O7/c1-6-16(4)23(32-24(36)17(5)29-25(37)21(28)11-15(2)3)27(39)31-22(26(38)30-19(13-33)14-34)12-18-7-9-20(35)10-8-18/h7-10,15-17,19,21-23,33-35H,6,11-14,28H2,1-5H3,(H,29,37)(H,30,38)(H,31,39)(H,32,36)/p+1/t16-,17-,21-,22-,23-/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):
P60045
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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