Browse entries in the PDBbind-CN Database
HEADER 1MF4_COMPLEX COMPND 1MF4_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 ALA ASN TYR ASN ILE ASP LEU LYS ALA ARG SEQRES 10 A 119 CYS ASN HET CA A 1 1 HET VAL A 226 84 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 7.554 22.561 10.172 1.00 14.09 N ATOM 2 CA ASN A 1 8.128 21.224 10.522 1.00 15.27 C ATOM 3 C ASN A 1 7.678 20.163 9.526 1.00 15.13 C ATOM 4 O ASN A 1 6.797 20.415 8.693 1.00 14.81 O ATOM 5 CB ASN A 1 7.822 20.823 11.975 1.00 16.00 C ATOM 6 CG ASN A 1 6.348 20.536 12.202 1.00 17.17 C ATOM 7 OD1 ASN A 1 5.665 20.014 11.316 1.00 18.54 O ATOM 8 ND2 ASN A 1 5.849 20.880 13.403 1.00 19.31 N ATOM 9 HA ASN A 1 9.213 21.303 10.452 1.00 0.00 H ATOM 10 HB2 ASN A 1 8.394 19.928 12.219 1.00 0.00 H ATOM 11 HB3 ASN A 1 8.125 21.637 12.634 1.00 0.00 H ATOM 12 HD22 ASN A 1 6.466 21.318 14.117 1.00 0.00 H ATOM 13 HD21 ASN A 1 4.846 20.708 13.618 1.00 0.00 H ATOM 14 HN3 ASN A 1 6.516 22.506 10.187 1.00 0.00 H ATOM 15 HN2 ASN A 1 7.874 22.836 9.221 1.00 0.00 H ATOM 16 HN1 ASN A 1 7.875 23.267 10.865 1.00 0.00 H ATOM 17 N LEU A 2 8.306 18.993 9.572 1.00 15.31 N ATOM 18 CA LEU A 2 7.988 17.961 8.585 1.00 16.35 C ATOM 19 C LEU A 2 6.509 17.557 8.565 1.00 15.15 C ATOM 20 O LEU A 2 5.996 17.255 7.512 1.00 14.68 O ATOM 21 CB LEU A 2 8.903 16.731 8.740 1.00 17.18 C ATOM 22 CG LEU A 2 10.021 16.632 7.687 1.00 21.14 C ATOM 23 CD1 LEU A 2 10.585 17.993 7.273 1.00 25.43 C ATOM 24 CD2 LEU A 2 11.144 15.693 8.111 1.00 23.02 C ATOM 25 HA LEU A 2 8.183 18.415 7.614 1.00 0.00 H ATOM 26 HB2 LEU A 2 9.366 16.772 9.726 1.00 0.00 H ATOM 27 HB3 LEU A 2 8.286 15.836 8.667 1.00 0.00 H ATOM 28 HG LEU A 2 9.540 16.203 6.808 1.00 0.00 H ATOM 29 HD21 LEU A 2 11.588 16.055 9.038 1.00 0.00 H ATOM 30 HD22 LEU A 2 10.740 14.693 8.266 1.00 0.00 H ATOM 31 HD23 LEU A 2 11.904 15.662 7.331 1.00 0.00 H ATOM 32 HD11 LEU A 2 9.787 18.602 6.849 1.00 0.00 H ATOM 33 HD12 LEU A 2 11.000 18.494 8.147 1.00 0.00 H ATOM 34 HD13 LEU A 2 11.368 17.849 6.529 1.00 0.00 H ATOM 35 H LEU A 2 9.020 18.812 10.306 1.00 0.00 H ATOM 36 N TYR A 3 5.854 17.513 9.723 1.00 15.43 N ATOM 37 CA TYR A 3 4.406 17.241 9.785 1.00 15.81 C ATOM 38 C TYR A 3 3.619 18.285 8.944 1.00 15.45 C ATOM 39 O TYR A 3 2.693 17.949 8.177 1.00 14.28 O ATOM 40 CB TYR A 3 3.917 17.251 11.251 1.00 16.09 C ATOM 41 CG TYR A 3 2.416 17.149 11.414 1.00 17.93 C ATOM 42 CD1 TYR A 3 1.766 15.932 11.308 1.00 19.81 C ATOM 43 CD2 TYR A 3 1.648 18.284 11.670 1.00 19.90 C ATOM 44 CE1 TYR A 3 0.376 15.841 11.440 1.00 21.06 C ATOM 45 CE2 TYR A 3 0.276 18.204 11.808 1.00 20.93 C ATOM 46 CZ TYR A 3 -0.353 16.981 11.700 1.00 22.35 C ATOM 47 OH TYR A 3 -1.717 16.912 11.842 1.00 22.50 O ATOM 48 HA TYR A 3 4.223 16.252 9.366 1.00 0.00 H ATOM 49 HB3 TYR A 3 4.247 18.181 11.714 1.00 0.00 H ATOM 50 HB2 TYR A 3 4.374 16.407 11.768 1.00 0.00 H ATOM 51 HD2 TYR A 3 2.139 19.253 11.763 1.00 0.00 H ATOM 52 HE2 TYR A 3 -0.308 19.104 12.002 1.00 0.00 H ATOM 53 HE1 TYR A 3 -0.125 14.878 11.338 1.00 0.00 H ATOM 54 HD1 TYR A 3 2.347 15.029 11.119 1.00 0.00 H ATOM 55 HH TYR A 3 -2.011 15.973 11.738 1.00 0.00 H ATOM 56 H TYR A 3 6.377 17.675 10.607 1.00 0.00 H ATOM 57 N GLN A 4 4.010 19.548 9.077 1.00 14.99 N ATOM 58 CA GLN A 4 3.348 20.620 8.351 1.00 14.51 C ATOM 59 C GLN A 4 3.634 20.538 6.869 1.00 14.09 C ATOM 60 O GLN A 4 2.768 20.796 6.053 1.00 13.63 O ATOM 61 CB GLN A 4 3.775 21.994 8.888 1.00 14.64 C ATOM 62 CG GLN A 4 3.310 22.250 10.304 1.00 13.68 C ATOM 63 CD GLN A 4 3.874 23.516 10.891 1.00 14.19 C ATOM 64 OE1 GLN A 4 5.107 23.701 10.948 1.00 12.73 O ATOM 65 NE2 GLN A 4 2.984 24.387 11.378 1.00 14.11 N ATOM 66 HA GLN A 4 2.275 20.500 8.504 1.00 0.00 H ATOM 67 HB2 GLN A 4 4.863 22.053 8.864 1.00 0.00 H ATOM 68 HB3 GLN A 4 3.357 22.765 8.241 1.00 0.00 H ATOM 69 HG2 GLN A 4 2.222 22.321 10.305 1.00 0.00 H ATOM 70 HG3 GLN A 4 3.618 21.411 10.928 1.00 0.00 H ATOM 71 HE22 GLN A 4 1.966 24.186 11.305 1.00 0.00 H ATOM 72 HE21 GLN A 4 3.310 25.266 11.829 1.00 0.00 H ATOM 73 H GLN A 4 4.803 19.774 9.711 1.00 0.00 H ATOM 74 N PHE A 5 4.855 20.157 6.515 1.00 14.39 N ATOM 75 CA PHE A 5 5.206 20.060 5.103 1.00 14.58 C ATOM 76 C PHE A 5 4.349 18.947 4.491 1.00 15.00 C ATOM 77 O PHE A 5 3.843 19.079 3.372 1.00 14.10 O ATOM 78 CB PHE A 5 6.703 19.759 4.974 1.00 15.04 C ATOM 79 CG PHE A 5 7.224 19.671 3.540 1.00 15.51 C ATOM 80 CD1 PHE A 5 6.841 20.569 2.568 1.00 14.80 C ATOM 81 CD2 PHE A 5 8.157 18.684 3.210 1.00 16.57 C ATOM 82 CE1 PHE A 5 7.353 20.478 1.249 1.00 16.83 C ATOM 83 CE2 PHE A 5 8.686 18.570 1.929 1.00 17.06 C ATOM 84 CZ PHE A 5 8.290 19.474 0.929 1.00 18.98 C ATOM 85 HA PHE A 5 5.013 20.994 4.575 1.00 0.00 H ATOM 86 HB2 PHE A 5 7.252 20.549 5.485 1.00 0.00 H ATOM 87 HB3 PHE A 5 6.900 18.806 5.464 1.00 0.00 H ATOM 88 HD2 PHE A 5 8.480 17.983 3.980 1.00 0.00 H ATOM 89 HE2 PHE A 5 9.405 17.783 1.702 1.00 0.00 H ATOM 90 HZ PHE A 5 8.701 19.400 -0.078 1.00 0.00 H ATOM 91 HE1 PHE A 5 7.023 21.182 0.485 1.00 0.00 H ATOM 92 HD1 PHE A 5 6.134 21.361 2.817 1.00 0.00 H ATOM 93 H PHE A 5 5.561 19.928 7.244 1.00 0.00 H ATOM 94 N LYS A 6 4.177 17.854 5.237 1.00 14.97 N ATOM 95 CA LYS A 6 3.347 16.750 4.740 1.00 16.60 C ATOM 96 C LYS A 6 1.936 17.228 4.418 1.00 16.14 C ATOM 97 O LYS A 6 1.360 16.880 3.372 1.00 16.17 O ATOM 98 CB LYS A 6 3.610 15.481 5.521 1.00 17.48 C ATOM 99 CG LYS A 6 2.556 14.489 5.030 1.00 22.36 C ATOM 100 CD LYS A 6 1.882 13.817 6.192 1.00 28.63 C ATOM 101 CE LYS A 6 1.919 13.694 7.677 1.00 31.97 C ATOM 102 NZ LYS A 6 0.601 13.037 7.957 1.00 35.28 N ATOM 103 HA LYS A 6 3.634 16.400 3.748 1.00 0.00 H ATOM 104 HB2 LYS A 6 4.613 15.107 5.318 1.00 0.00 H ATOM 105 HB3 LYS A 6 3.500 15.659 6.591 1.00 0.00 H ATOM 106 HG2 LYS A 6 1.809 15.021 4.441 1.00 0.00 H ATOM 107 HG3 LYS A 6 3.036 13.734 4.408 1.00 0.00 H ATOM 108 HD2 LYS A 6 0.853 14.143 6.043 1.00 0.00 H ATOM 109 HD3 LYS A 6 1.976 12.771 5.901 1.00 0.00 H ATOM 110 HE2 LYS A 6 1.987 14.671 8.156 1.00 0.00 H ATOM 111 HE3 LYS A 6 2.752 13.072 8.004 1.00 0.00 H ATOM 112 HZ1 LYS A 6 -0.169 13.647 7.614 1.00 0.00 H ATOM 113 HZ2 LYS A 6 0.562 12.119 7.469 1.00 0.00 H ATOM 114 HZ3 LYS A 6 0.499 12.891 8.982 1.00 0.00 H ATOM 115 H LYS A 6 4.631 17.784 6.170 1.00 0.00 H ATOM 116 N ASN A 7 1.394 18.036 5.319 1.00 15.69 N ATOM 117 CA ASN A 7 0.056 18.595 5.150 1.00 15.72 C ATOM 118 C ASN A 7 -0.013 19.554 3.972 1.00 16.09 C ATOM 119 O ASN A 7 -1.032 19.619 3.262 1.00 15.15 O ATOM 120 CB ASN A 7 -0.423 19.239 6.459 1.00 16.24 C ATOM 121 CG ASN A 7 -1.019 18.209 7.417 1.00 17.73 C ATOM 122 OD1 ASN A 7 -2.238 17.980 7.412 1.00 15.68 O ATOM 123 ND2 ASN A 7 -0.161 17.542 8.204 1.00 15.78 N ATOM 124 HA ASN A 7 -0.627 17.780 4.913 1.00 0.00 H ATOM 125 HB2 ASN A 7 0.424 19.723 6.944 1.00 0.00 H ATOM 126 HB3 ASN A 7 -1.182 19.986 6.227 1.00 0.00 H ATOM 127 HD22 ASN A 7 0.854 17.767 8.175 1.00 0.00 H ATOM 128 HD21 ASN A 7 -0.511 16.800 8.843 1.00 0.00 H ATOM 129 H ASN A 7 1.938 18.279 6.171 1.00 0.00 H ATOM 130 N MET A 8 1.065 20.313 3.746 1.00 15.79 N ATOM 131 CA MET A 8 1.095 21.173 2.577 1.00 16.41 C ATOM 132 C MET A 8 0.974 20.329 1.312 1.00 17.48 C ATOM 133 O MET A 8 0.224 20.673 0.414 1.00 17.01 O ATOM 134 CB MET A 8 2.404 21.953 2.493 1.00 16.52 C ATOM 135 CG MET A 8 2.504 23.095 3.442 1.00 15.63 C ATOM 136 SD MET A 8 3.841 24.202 2.884 1.00 14.01 S ATOM 137 CE MET A 8 3.723 25.444 4.141 1.00 15.59 C ATOM 138 HA MET A 8 0.262 21.871 2.664 1.00 0.00 H ATOM 139 HB2 MET A 8 3.224 21.265 2.700 1.00 0.00 H ATOM 140 HB3 MET A 8 2.504 22.342 1.480 1.00 0.00 H ATOM 141 HG2 MET A 8 2.728 22.723 4.442 1.00 0.00 H ATOM 142 HG3 MET A 8 1.560 23.640 3.462 1.00 0.00 H ATOM 143 HE1 MET A 8 2.729 25.891 4.116 1.00 0.00 H ATOM 144 HE2 MET A 8 3.894 24.989 5.117 1.00 0.00 H ATOM 145 HE3 MET A 8 4.474 26.214 3.961 1.00 0.00 H ATOM 146 H MET A 8 1.873 20.287 4.401 1.00 0.00 H ATOM 147 N ILE A 9 1.714 19.222 1.252 1.00 17.70 N ATOM 148 CA ILE A 9 1.681 18.384 0.065 1.00 19.81 C ATOM 149 C ILE A 9 0.281 17.788 -0.130 1.00 21.16 C ATOM 150 O ILE A 9 -0.232 17.770 -1.240 1.00 21.00 O ATOM 151 CB ILE A 9 2.732 17.287 0.151 1.00 19.84 C ATOM 152 CG1 ILE A 9 4.140 17.907 0.154 1.00 20.04 C ATOM 153 CG2 ILE A 9 2.649 16.388 -1.049 1.00 20.00 C ATOM 154 CD1 ILE A 9 5.147 16.938 0.615 1.00 17.28 C ATOM 155 HA ILE A 9 1.912 19.003 -0.802 1.00 0.00 H ATOM 156 HB ILE A 9 2.551 16.724 1.066 1.00 0.00 H ATOM 157 HG12 ILE A 9 4.390 18.226 -0.858 1.00 0.00 H ATOM 158 HG13 ILE A 9 4.147 18.771 0.819 1.00 0.00 H ATOM 159 HD11 ILE A 9 4.905 16.619 1.629 1.00 0.00 H ATOM 160 HD12 ILE A 9 5.148 16.074 -0.049 1.00 0.00 H ATOM 161 HD13 ILE A 9 6.131 17.406 0.606 1.00 0.00 H ATOM 162 HG21 ILE A 9 1.660 15.931 -1.091 1.00 0.00 H ATOM 163 HG22 ILE A 9 2.819 16.974 -1.953 1.00 0.00 H ATOM 164 HG23 ILE A 9 3.408 15.609 -0.971 1.00 0.00 H ATOM 165 H ILE A 9 2.317 18.957 2.057 1.00 0.00 H ATOM 166 N GLN A 10 -0.308 17.281 0.953 1.00 22.50 N ATOM 167 CA GLN A 10 -1.654 16.698 0.938 1.00 25.04 C ATOM 168 C GLN A 10 -2.684 17.724 0.481 1.00 26.43 C ATOM 169 O GLN A 10 -3.721 17.377 -0.105 1.00 25.94 O ATOM 170 CB GLN A 10 -2.043 16.218 2.341 1.00 24.97 C ATOM 171 CG GLN A 10 -1.380 14.938 2.762 1.00 27.24 C ATOM 172 CD GLN A 10 -1.757 14.525 4.180 1.00 30.23 C ATOM 173 OE1 GLN A 10 -1.600 13.366 4.546 1.00 32.16 O ATOM 174 NE2 GLN A 10 -2.243 15.475 4.981 1.00 31.43 N ATOM 175 HA GLN A 10 -1.641 15.858 0.244 1.00 0.00 H ATOM 176 HB2 GLN A 10 -1.771 16.995 3.056 1.00 0.00 H ATOM 177 HB3 GLN A 10 -3.122 16.067 2.364 1.00 0.00 H ATOM 178 HG2 GLN A 10 -1.680 14.146 2.075 1.00 0.00 H ATOM 179 HG3 GLN A 10 -0.299 15.071 2.712 1.00 0.00 H ATOM 180 HE22 GLN A 10 -2.359 16.446 4.626 1.00 0.00 H ATOM 181 HE21 GLN A 10 -2.506 15.245 5.960 1.00 0.00 H ATOM 182 H GLN A 10 0.213 17.300 1.853 1.00 0.00 H ATOM 183 N CYS A 11 -2.395 18.997 0.714 1.00 27.73 N ATOM 184 CA CYS A 11 -3.343 20.021 0.316 1.00 29.91 C ATOM 185 C CYS A 11 -3.141 20.468 -1.141 1.00 29.96 C ATOM 186 O CYS A 11 -4.095 20.882 -1.798 1.00 30.34 O ATOM 187 CB CYS A 11 -3.364 21.191 1.321 1.00 30.84 C ATOM 188 SG CYS A 11 -2.495 22.677 0.802 1.00 35.65 S ATOM 189 HA CYS A 11 -4.338 19.578 0.344 1.00 0.00 H ATOM 190 HB2 CYS A 11 -2.911 20.844 2.249 1.00 0.00 H ATOM 191 HB3 CYS A 11 -4.405 21.458 1.504 1.00 0.00 H ATOM 192 H CYS A 11 -1.501 19.258 1.176 1.00 0.00 H ATOM 193 N THR A 12 -1.927 20.355 -1.676 1.00 29.98 N ATOM 194 CA THR A 12 -1.727 20.755 -3.070 1.00 30.50 C ATOM 195 C THR A 12 -1.706 19.567 -4.013 1.00 30.99 C ATOM 196 O THR A 12 -1.881 19.737 -5.210 1.00 31.19 O ATOM 197 CB THR A 12 -0.444 21.570 -3.270 1.00 30.48 C ATOM 198 OG1 THR A 12 0.697 20.728 -3.033 1.00 31.28 O ATOM 199 CG2 THR A 12 -0.341 22.663 -2.230 1.00 30.58 C ATOM 200 HA THR A 12 -2.584 21.385 -3.310 1.00 0.00 H ATOM 201 HB THR A 12 -0.470 21.976 -4.281 1.00 0.00 H ATOM 202 HG1 THR A 12 1.526 21.254 -3.162 1.00 0.00 H ATOM 203 HG23 THR A 12 -1.179 23.351 -2.343 1.00 0.00 H ATOM 204 HG21 THR A 12 -0.366 22.219 -1.235 1.00 0.00 H ATOM 205 HG22 THR A 12 0.596 23.204 -2.365 1.00 0.00 H ATOM 206 H THR A 12 -1.133 19.988 -1.113 1.00 0.00 H ATOM 207 N VAL A 13 -1.467 18.375 -3.489 1.00 31.49 N ATOM 208 CA VAL A 13 -1.483 17.176 -4.322 1.00 32.74 C ATOM 209 C VAL A 13 -2.325 16.093 -3.644 1.00 34.09 C ATOM 210 O VAL A 13 -1.798 15.078 -3.205 1.00 33.55 O ATOM 211 CB VAL A 13 -0.061 16.628 -4.567 1.00 32.64 C ATOM 212 CG1 VAL A 13 -0.055 15.673 -5.749 1.00 32.44 C ATOM 213 CG2 VAL A 13 0.922 17.764 -4.814 1.00 32.23 C ATOM 214 HA VAL A 13 -1.914 17.448 -5.286 1.00 0.00 H ATOM 215 HB VAL A 13 0.250 16.087 -3.673 1.00 0.00 H ATOM 216 HG11 VAL A 13 -0.726 14.839 -5.544 1.00 0.00 H ATOM 217 HG12 VAL A 13 -0.391 16.200 -6.642 1.00 0.00 H ATOM 218 HG13 VAL A 13 0.956 15.297 -5.906 1.00 0.00 H ATOM 219 HG21 VAL A 13 0.608 18.331 -5.690 1.00 0.00 H ATOM 220 HG22 VAL A 13 0.943 18.420 -3.944 1.00 0.00 H ATOM 221 HG23 VAL A 13 1.917 17.352 -4.984 1.00 0.00 H ATOM 222 H VAL A 13 -1.265 18.292 -2.472 1.00 0.00 H ATOM 223 N PRO A 14 -3.636 16.313 -3.558 1.00 35.84 N ATOM 224 CA PRO A 14 -4.544 15.385 -2.863 1.00 37.32 C ATOM 225 C PRO A 14 -4.715 14.074 -3.627 1.00 38.61 C ATOM 226 O PRO A 14 -4.993 13.037 -3.022 1.00 38.66 O ATOM 227 CB PRO A 14 -5.863 16.159 -2.848 1.00 37.66 C ATOM 228 CG PRO A 14 -5.783 16.971 -4.115 1.00 37.16 C ATOM 229 CD PRO A 14 -4.359 17.470 -4.115 1.00 36.10 C ATOM 230 HA PRO A 14 -4.177 15.100 -1.877 1.00 0.00 H ATOM 231 HD3 PRO A 14 -4.019 17.703 -5.124 1.00 0.00 H ATOM 232 HD2 PRO A 14 -4.246 18.351 -3.483 1.00 0.00 H ATOM 233 HG3 PRO A 14 -6.489 17.802 -4.093 1.00 0.00 H ATOM 234 HG2 PRO A 14 -5.981 16.352 -4.990 1.00 0.00 H ATOM 235 HB2 PRO A 14 -6.717 15.482 -2.868 1.00 0.00 H ATOM 236 HB3 PRO A 14 -5.932 16.803 -1.971 1.00 0.00 H ATOM 237 N SER A 15 -4.349 14.155 -4.918 1.00 40.00 N ATOM 238 CA SER A 15 -4.262 12.972 -5.780 1.00 41.35 C ATOM 239 C SER A 15 -3.158 11.955 -5.328 1.00 41.81 C ATOM 240 O SER A 15 -3.409 10.752 -5.490 1.00 42.71 O ATOM 241 CB SER A 15 -4.047 13.377 -7.230 1.00 41.61 C ATOM 242 OG SER A 15 -2.935 14.249 -7.364 1.00 43.13 O ATOM 243 HA SER A 15 -5.218 12.456 -5.686 1.00 0.00 H ATOM 244 HB2 SER A 15 -4.941 13.883 -7.594 1.00 0.00 H ATOM 245 HB3 SER A 15 -3.870 12.482 -7.826 1.00 0.00 H ATOM 246 HG SER A 15 -2.822 14.494 -8.317 1.00 0.00 H ATOM 247 H SER A 15 -4.120 15.087 -5.318 1.00 0.00 H ATOM 248 N ARG A 17 -1.995 12.328 -4.764 1.00 49.62 N ATOM 249 CA ARG A 17 -1.122 11.156 -4.357 1.00 49.34 C ATOM 250 C ARG A 17 -0.681 11.207 -2.883 1.00 48.86 C ATOM 251 O ARG A 17 -0.696 12.270 -2.246 1.00 48.98 O ATOM 252 CB ARG A 17 0.087 10.991 -5.282 1.00 49.67 C ATOM 253 CG ARG A 17 0.629 12.264 -5.900 1.00 50.66 C ATOM 254 CD ARG A 17 1.708 11.952 -6.947 1.00 51.70 C ATOM 255 NE ARG A 17 2.045 10.535 -7.062 1.00 51.84 N ATOM 256 CZ ARG A 17 1.871 9.809 -8.161 1.00 51.44 C ATOM 257 NH1 ARG A 17 1.360 10.366 -9.248 1.00 50.25 N ATOM 258 NH2 ARG A 17 2.209 8.526 -8.175 1.00 50.93 N ATOM 259 HA ARG A 17 -1.754 10.275 -4.464 1.00 0.00 H ATOM 260 HB2 ARG A 17 0.889 10.533 -4.704 1.00 0.00 H ATOM 261 HB3 ARG A 17 -0.202 10.323 -6.093 1.00 0.00 H ATOM 262 HG2 ARG A 17 -0.188 12.804 -6.379 1.00 0.00 H ATOM 263 HG3 ARG A 17 1.062 12.885 -5.116 1.00 0.00 H ATOM 264 HD2 ARG A 17 2.613 12.497 -6.678 1.00 0.00 H ATOM 265 HD3 ARG A 17 1.352 12.298 -7.917 1.00 0.00 H ATOM 266 HE ARG A 17 2.448 10.063 -6.228 1.00 0.00 H ATOM 267 HH12 ARG A 17 1.224 9.798 -10.108 1.00 0.00 H ATOM 268 HH11 ARG A 17 1.095 11.372 -9.241 1.00 0.00 H ATOM 269 HH22 ARG A 17 2.071 7.961 -9.037 1.00 0.00 H ATOM 270 HH21 ARG A 17 2.612 8.085 -7.324 1.00 0.00 H ATOM 271 H ARG A 17 -1.722 13.321 -4.621 1.00 0.00 H ATOM 272 N SER A 18 -0.305 10.040 -2.347 1.00 48.00 N ATOM 273 CA SER A 18 0.122 9.940 -0.972 1.00 47.02 C ATOM 274 C SER A 18 1.435 10.680 -0.834 1.00 46.05 C ATOM 275 O SER A 18 2.257 10.698 -1.752 1.00 46.40 O ATOM 276 CB SER A 18 0.306 8.489 -0.553 1.00 47.41 C ATOM 277 OG SER A 18 0.767 8.428 0.792 1.00 48.49 O ATOM 278 HA SER A 18 -0.641 10.376 -0.327 1.00 0.00 H ATOM 279 HB2 SER A 18 1.036 8.013 -1.208 1.00 0.00 H ATOM 280 HB3 SER A 18 -0.647 7.966 -0.633 1.00 0.00 H ATOM 281 HG SER A 18 0.884 7.481 1.057 1.00 0.00 H ATOM 282 H SER A 18 -0.321 9.183 -2.936 1.00 0.00 H ATOM 283 N TRP A 19 1.627 11.285 0.324 1.00 44.45 N ATOM 284 CA TRP A 19 2.818 12.051 0.603 1.00 42.87 C ATOM 285 C TRP A 19 4.077 11.187 0.542 1.00 40.87 C ATOM 286 O TRP A 19 5.166 11.681 0.226 1.00 40.64 O ATOM 287 CB TRP A 19 2.698 12.469 2.061 1.00 43.58 C ATOM 288 CG TRP A 19 2.705 11.507 3.220 1.00 45.86 C ATOM 289 CD1 TRP A 19 1.618 10.919 3.808 1.00 48.25 C ATOM 290 CD2 TRP A 19 3.847 11.046 3.948 1.00 47.85 C ATOM 291 NE1 TRP A 19 2.019 10.113 4.847 1.00 49.29 N ATOM 292 CE2 TRP A 19 3.383 10.170 4.951 1.00 49.18 C ATOM 293 CE3 TRP A 19 5.222 11.273 3.846 1.00 48.75 C ATOM 294 CZ2 TRP A 19 4.241 9.535 5.843 1.00 50.34 C ATOM 295 CZ3 TRP A 19 6.070 10.643 4.728 1.00 49.75 C ATOM 296 CH2 TRP A 19 5.581 9.783 5.713 1.00 50.84 C ATOM 297 HA TRP A 19 2.898 12.866 -0.116 1.00 0.00 H ATOM 298 HB2 TRP A 19 3.527 13.153 2.241 1.00 0.00 H ATOM 299 HB3 TRP A 19 1.757 13.013 2.135 1.00 0.00 H ATOM 300 HE1 TRP A 19 1.389 9.552 5.455 1.00 0.00 H ATOM 301 HD1 TRP A 19 0.584 11.068 3.497 1.00 0.00 H ATOM 302 HZ2 TRP A 19 3.861 8.866 6.615 1.00 0.00 H ATOM 303 HH2 TRP A 19 6.281 9.298 6.393 1.00 0.00 H ATOM 304 HZ3 TRP A 19 7.143 10.819 4.656 1.00 0.00 H ATOM 305 HE3 TRP A 19 5.617 11.939 3.079 1.00 0.00 H ATOM 306 H TRP A 19 0.896 11.207 1.059 1.00 0.00 H ATOM 307 N ALA A 20 3.927 9.901 0.860 1.00 37.76 N ATOM 308 CA ALA A 20 5.053 8.970 0.854 1.00 35.24 C ATOM 309 C ALA A 20 5.701 8.854 -0.533 1.00 33.13 C ATOM 310 O ALA A 20 6.857 8.478 -0.650 1.00 32.53 O ATOM 311 CB ALA A 20 4.600 7.584 1.337 1.00 35.35 C ATOM 312 HA ALA A 20 5.804 9.368 1.537 1.00 0.00 H ATOM 313 HB1 ALA A 20 4.209 7.664 2.351 1.00 0.00 H ATOM 314 HB2 ALA A 20 3.821 7.206 0.674 1.00 0.00 H ATOM 315 HB3 ALA A 20 5.450 6.901 1.327 1.00 0.00 H ATOM 316 H ALA A 20 2.983 9.551 1.119 1.00 0.00 H ATOM 317 N ASP A 21 4.946 9.176 -1.574 1.00 31.12 N ATOM 318 CA ASP A 21 5.453 9.084 -2.935 1.00 29.13 C ATOM 319 C ASP A 21 6.578 10.068 -3.157 1.00 27.72 C ATOM 320 O ASP A 21 7.411 9.876 -4.037 1.00 26.80 O ATOM 321 CB ASP A 21 4.345 9.341 -3.942 1.00 29.36 C ATOM 322 CG ASP A 21 3.333 8.218 -3.977 1.00 30.80 C ATOM 323 OD1 ASP A 21 3.537 7.213 -3.258 1.00 31.03 O ATOM 324 OD2 ASP A 21 2.308 8.261 -4.684 1.00 32.55 O ATOM 325 HA ASP A 21 5.834 8.073 -3.078 1.00 0.00 H ATOM 326 HB2 ASP A 21 3.834 10.266 -3.674 1.00 0.00 H ATOM 327 HB3 ASP A 21 4.788 9.446 -4.932 1.00 0.00 H ATOM 328 H ASP A 21 3.971 9.501 -1.415 1.00 0.00 H ATOM 329 N PHE A 22 6.598 11.118 -2.347 1.00 25.74 N ATOM 330 CA PHE A 22 7.603 12.155 -2.482 1.00 24.77 C ATOM 331 C PHE A 22 8.740 11.983 -1.507 1.00 23.74 C ATOM 332 O PHE A 22 9.698 12.747 -1.551 1.00 23.87 O ATOM 333 CB PHE A 22 6.959 13.529 -2.280 1.00 24.80 C ATOM 334 CG PHE A 22 5.833 13.808 -3.237 1.00 25.62 C ATOM 335 CD1 PHE A 22 6.098 14.296 -4.506 1.00 25.24 C ATOM 336 CD2 PHE A 22 4.520 13.548 -2.883 1.00 26.16 C ATOM 337 CE1 PHE A 22 5.080 14.545 -5.396 1.00 25.43 C ATOM 338 CE2 PHE A 22 3.496 13.801 -3.764 1.00 24.02 C ATOM 339 CZ PHE A 22 3.776 14.298 -5.025 1.00 25.92 C ATOM 340 HA PHE A 22 8.017 12.076 -3.487 1.00 0.00 H ATOM 341 HB2 PHE A 22 6.570 13.582 -1.263 1.00 0.00 H ATOM 342 HB3 PHE A 22 7.725 14.293 -2.415 1.00 0.00 H ATOM 343 HD2 PHE A 22 4.297 13.139 -1.898 1.00 0.00 H ATOM 344 HE2 PHE A 22 2.464 13.610 -3.470 1.00 0.00 H ATOM 345 HZ PHE A 22 2.964 14.494 -5.725 1.00 0.00 H ATOM 346 HE1 PHE A 22 5.303 14.935 -6.389 1.00 0.00 H ATOM 347 HD1 PHE A 22 7.129 14.486 -4.804 1.00 0.00 H ATOM 348 H PHE A 22 5.879 11.199 -1.600 1.00 0.00 H ATOM 349 N ALA A 23 8.639 10.992 -0.625 1.00 22.55 N ATOM 350 CA ALA A 23 9.634 10.829 0.442 1.00 22.15 C ATOM 351 C ALA A 23 10.862 10.032 0.065 1.00 21.62 C ATOM 352 O ALA A 23 11.800 9.934 0.845 1.00 21.55 O ATOM 353 CB ALA A 23 8.993 10.220 1.702 1.00 22.50 C ATOM 354 HA ALA A 23 9.986 11.842 0.639 1.00 0.00 H ATOM 355 HB1 ALA A 23 8.200 10.877 2.059 1.00 0.00 H ATOM 356 HB2 ALA A 23 8.575 9.243 1.459 1.00 0.00 H ATOM 357 HB3 ALA A 23 9.752 10.110 2.477 1.00 0.00 H ATOM 358 H ALA A 23 7.845 10.324 -0.692 1.00 0.00 H ATOM 359 N ASP A 24 10.862 9.443 -1.112 1.00 21.16 N ATOM 360 CA ASP A 24 12.027 8.693 -1.549 1.00 20.42 C ATOM 361 C ASP A 24 11.989 8.661 -3.072 1.00 19.50 C ATOM 362 O ASP A 24 11.598 7.671 -3.657 1.00 19.28 O ATOM 363 CB ASP A 24 11.972 7.279 -0.981 1.00 21.57 C ATOM 364 CG ASP A 24 13.095 6.415 -1.494 1.00 23.41 C ATOM 365 OD1 ASP A 24 14.166 6.899 -1.923 1.00 23.72 O ATOM 366 OD2 ASP A 24 12.926 5.180 -1.500 1.00 27.61 O ATOM 367 HA ASP A 24 12.950 9.155 -1.200 1.00 0.00 H ATOM 368 HB2 ASP A 24 12.039 7.334 0.106 1.00 0.00 H ATOM 369 HB3 ASP A 24 11.022 6.824 -1.262 1.00 0.00 H ATOM 370 H ASP A 24 10.028 9.514 -1.729 1.00 0.00 H ATOM 371 N TYR A 25 12.375 9.771 -3.692 1.00 18.22 N ATOM 372 CA TYR A 25 12.282 9.937 -5.132 1.00 17.52 C ATOM 373 C TYR A 25 13.511 10.646 -5.647 1.00 17.48 C ATOM 374 O TYR A 25 13.997 11.626 -5.043 1.00 16.29 O ATOM 375 CB TYR A 25 11.023 10.749 -5.479 1.00 17.56 C ATOM 376 CG TYR A 25 10.720 10.913 -6.968 1.00 18.71 C ATOM 377 CD1 TYR A 25 11.394 11.860 -7.742 1.00 18.83 C ATOM 378 CD2 TYR A 25 9.729 10.145 -7.587 1.00 19.57 C ATOM 379 CE1 TYR A 25 11.106 12.024 -9.096 1.00 18.64 C ATOM 380 CE2 TYR A 25 9.430 10.299 -8.934 1.00 17.40 C ATOM 381 CZ TYR A 25 10.124 11.232 -9.683 1.00 18.94 C ATOM 382 OH TYR A 25 9.807 11.391 -11.016 1.00 18.74 O ATOM 383 HA TYR A 25 12.216 8.956 -5.603 1.00 0.00 H ATOM 384 HB3 TYR A 25 11.139 11.744 -5.051 1.00 0.00 H ATOM 385 HB2 TYR A 25 10.169 10.254 -5.017 1.00 0.00 H ATOM 386 HD2 TYR A 25 9.179 9.410 -6.999 1.00 0.00 H ATOM 387 HE2 TYR A 25 8.654 9.689 -9.398 1.00 0.00 H ATOM 388 HE1 TYR A 25 11.644 12.764 -9.688 1.00 0.00 H ATOM 389 HD1 TYR A 25 12.160 12.483 -7.279 1.00 0.00 H ATOM 390 HH TYR A 25 10.387 12.090 -11.411 1.00 0.00 H ATOM 391 H TYR A 25 12.759 10.552 -3.123 1.00 0.00 H ATOM 392 N GLY A 26 14.037 10.132 -6.756 1.00 17.13 N ATOM 393 CA GLY A 26 15.191 10.730 -7.399 1.00 17.26 C ATOM 394 C GLY A 26 16.367 10.825 -6.465 1.00 17.00 C ATOM 395 O GLY A 26 16.459 10.079 -5.497 1.00 17.56 O ATOM 396 HA3 GLY A 26 14.927 11.732 -7.737 1.00 0.00 H ATOM 397 HA2 GLY A 26 15.471 10.121 -8.258 1.00 0.00 H ATOM 398 H GLY A 26 13.610 9.280 -7.172 1.00 0.00 H ATOM 399 N CYS A 27 17.262 11.759 -6.756 1.00 16.80 N ATOM 400 CA CYS A 27 18.450 11.973 -5.950 1.00 17.09 C ATOM 401 C CYS A 27 18.256 12.957 -4.794 1.00 17.47 C ATOM 402 O CYS A 27 19.064 12.984 -3.898 1.00 18.47 O ATOM 403 CB CYS A 27 19.612 12.437 -6.844 1.00 17.13 C ATOM 404 SG CYS A 27 20.213 11.100 -7.936 1.00 17.15 S ATOM 405 HA CYS A 27 18.679 11.012 -5.490 1.00 0.00 H ATOM 406 HB2 CYS A 27 20.434 12.769 -6.209 1.00 0.00 H ATOM 407 HB3 CYS A 27 19.271 13.269 -7.461 1.00 0.00 H ATOM 408 H CYS A 27 17.107 12.359 -7.591 1.00 0.00 H ATOM 409 N TYR A 28 17.186 13.750 -4.810 1.00 17.63 N ATOM 410 CA TYR A 28 17.015 14.782 -3.805 1.00 18.64 C ATOM 411 C TYR A 28 15.806 14.700 -2.896 1.00 19.69 C ATOM 412 O TYR A 28 15.839 15.270 -1.815 1.00 20.60 O ATOM 413 CB TYR A 28 17.051 16.159 -4.466 1.00 18.23 C ATOM 414 CG TYR A 28 18.433 16.461 -4.955 1.00 19.43 C ATOM 415 CD1 TYR A 28 18.842 16.064 -6.225 1.00 20.82 C ATOM 416 CD2 TYR A 28 19.342 17.095 -4.133 1.00 18.80 C ATOM 417 CE1 TYR A 28 20.126 16.307 -6.660 1.00 20.80 C ATOM 418 CE2 TYR A 28 20.616 17.350 -4.549 1.00 20.21 C ATOM 419 CZ TYR A 28 21.010 16.953 -5.811 1.00 21.93 C ATOM 420 OH TYR A 28 22.286 17.220 -6.209 1.00 21.96 O ATOM 421 HA TYR A 28 17.855 14.608 -3.133 1.00 0.00 H ATOM 422 HB3 TYR A 28 16.752 16.915 -3.740 1.00 0.00 H ATOM 423 HB2 TYR A 28 16.360 16.173 -5.308 1.00 0.00 H ATOM 424 HD2 TYR A 28 19.036 17.398 -3.132 1.00 0.00 H ATOM 425 HE2 TYR A 28 21.317 17.863 -3.890 1.00 0.00 H ATOM 426 HE1 TYR A 28 20.442 15.996 -7.656 1.00 0.00 H ATOM 427 HD1 TYR A 28 18.138 15.555 -6.883 1.00 0.00 H ATOM 428 HH TYR A 28 22.422 16.879 -7.129 1.00 0.00 H ATOM 429 H TYR A 28 16.466 13.628 -5.550 1.00 0.00 H ATOM 430 N CYS A 29 14.752 14.011 -3.322 1.00 20.12 N ATOM 431 CA CYS A 29 13.524 13.922 -2.536 1.00 22.01 C ATOM 432 C CYS A 29 13.611 12.899 -1.378 1.00 24.08 C ATOM 433 O CYS A 29 13.528 11.698 -1.633 1.00 24.33 O ATOM 434 CB CYS A 29 12.356 13.559 -3.462 1.00 19.86 C ATOM 435 SG CYS A 29 12.000 14.702 -4.820 1.00 16.29 S ATOM 436 HA CYS A 29 13.366 14.898 -2.077 1.00 0.00 H ATOM 437 HB2 CYS A 29 11.458 13.488 -2.848 1.00 0.00 H ATOM 438 HB3 CYS A 29 12.573 12.585 -3.900 1.00 0.00 H ATOM 439 H CYS A 29 14.803 13.523 -4.239 1.00 0.00 H ATOM 440 N GLY A 30 13.794 13.347 -0.130 1.00 27.42 N ATOM 441 CA GLY A 30 13.794 12.415 1.001 1.00 31.38 C ATOM 442 C GLY A 30 14.974 12.245 1.939 1.00 34.52 C ATOM 443 O GLY A 30 14.902 12.615 3.121 1.00 36.37 O ATOM 444 HA3 GLY A 30 13.605 11.429 0.576 1.00 0.00 H ATOM 445 HA2 GLY A 30 12.952 12.706 1.629 1.00 0.00 H ATOM 446 H GLY A 30 13.937 14.363 0.038 1.00 0.00 H ATOM 447 N LYS A 31 16.014 11.580 1.473 1.00 37.01 N ATOM 448 CA LYS A 31 17.281 11.486 2.179 1.00 39.16 C ATOM 449 C LYS A 31 18.174 12.207 1.199 1.00 39.61 C ATOM 450 O LYS A 31 18.381 13.417 1.292 1.00 40.50 O ATOM 451 CB LYS A 31 17.749 10.030 2.342 1.00 39.49 C ATOM 452 CG LYS A 31 19.247 9.846 2.797 1.00 41.67 C ATOM 453 CD LYS A 31 19.476 8.428 3.386 1.00 44.89 C ATOM 454 CE LYS A 31 20.797 8.208 4.165 1.00 45.98 C ATOM 455 NZ LYS A 31 20.622 7.057 5.125 1.00 47.58 N ATOM 456 HA LYS A 31 17.257 11.884 3.193 1.00 0.00 H ATOM 457 HB2 LYS A 31 17.111 9.553 3.086 1.00 0.00 H ATOM 458 HB3 LYS A 31 17.625 9.528 1.383 1.00 0.00 H ATOM 459 HG2 LYS A 31 19.901 9.986 1.937 1.00 0.00 H ATOM 460 HG3 LYS A 31 19.484 10.591 3.557 1.00 0.00 H ATOM 461 HD2 LYS A 31 18.651 8.214 4.065 1.00 0.00 H ATOM 462 HD3 LYS A 31 19.457 7.718 2.559 1.00 0.00 H ATOM 463 HE2 LYS A 31 21.048 9.112 4.721 1.00 0.00 H ATOM 464 HE3 LYS A 31 21.600 7.980 3.464 1.00 0.00 H ATOM 465 HZ1 LYS A 31 19.855 7.277 5.792 1.00 0.00 H ATOM 466 HZ2 LYS A 31 20.383 6.196 4.592 1.00 0.00 H ATOM 467 HZ3 LYS A 31 21.507 6.907 5.649 1.00 0.00 H ATOM 468 H LYS A 31 15.923 11.099 0.555 1.00 0.00 H ATOM 469 N GLY A 32 18.641 11.461 0.209 1.00 40.35 N ATOM 470 CA GLY A 32 19.540 11.966 -0.814 1.00 40.06 C ATOM 471 C GLY A 32 19.655 13.478 -0.931 1.00 39.75 C ATOM 472 O GLY A 32 18.648 14.196 -0.935 1.00 40.16 O ATOM 473 HA3 GLY A 32 19.196 11.585 -1.775 1.00 0.00 H ATOM 474 HA2 GLY A 32 20.535 11.573 -0.604 1.00 0.00 H ATOM 475 H GLY A 32 18.349 10.464 0.162 1.00 0.00 H ATOM 476 N GLY A 33 20.896 13.953 -1.025 1.00 38.80 N ATOM 477 CA GLY A 33 21.195 15.346 -1.284 1.00 37.16 C ATOM 478 C GLY A 33 22.451 15.452 -2.148 1.00 36.09 C ATOM 479 O GLY A 33 23.347 16.216 -1.810 1.00 36.49 O ATOM 480 HA3 GLY A 33 21.361 15.863 -0.339 1.00 0.00 H ATOM 481 HA2 GLY A 33 20.356 15.806 -1.806 1.00 0.00 H ATOM 482 H GLY A 33 21.689 13.291 -0.907 1.00 0.00 H ATOM 483 N SER A 34 22.524 14.703 -3.257 1.00 34.82 N ATOM 484 CA SER A 34 23.703 14.738 -4.135 1.00 33.04 C ATOM 485 C SER A 34 23.469 14.326 -5.591 1.00 31.95 C ATOM 486 O SER A 34 22.469 13.702 -5.918 1.00 31.71 O ATOM 487 CB SER A 34 24.811 13.844 -3.563 1.00 33.50 C ATOM 488 OG SER A 34 24.492 12.472 -3.740 1.00 32.84 O ATOM 489 HA SER A 34 23.983 15.791 -4.158 1.00 0.00 H ATOM 490 HB2 SER A 34 24.924 14.051 -2.499 1.00 0.00 H ATOM 491 HB3 SER A 34 25.748 14.063 -4.076 1.00 0.00 H ATOM 492 HG SER A 34 24.392 12.280 -4.706 1.00 0.00 H ATOM 493 H SER A 34 21.727 14.082 -3.503 1.00 0.00 H ATOM 494 N GLY A 35 24.402 14.695 -6.463 1.00 30.45 N ATOM 495 CA GLY A 35 24.373 14.267 -7.850 1.00 29.24 C ATOM 496 C GLY A 35 23.456 15.067 -8.754 1.00 28.31 C ATOM 497 O GLY A 35 22.975 16.140 -8.391 1.00 27.84 O ATOM 498 HA3 GLY A 35 24.048 13.227 -7.875 1.00 0.00 H ATOM 499 HA2 GLY A 35 25.386 14.340 -8.247 1.00 0.00 H ATOM 500 H GLY A 35 25.177 15.310 -6.142 1.00 0.00 H ATOM 501 N THR A 36 23.231 14.529 -9.946 1.00 27.33 N ATOM 502 CA THR A 36 22.387 15.148 -10.948 1.00 26.67 C ATOM 503 C THR A 36 20.909 14.851 -10.709 1.00 25.68 C ATOM 504 O THR A 36 20.488 13.696 -10.681 1.00 25.32 O ATOM 505 CB THR A 36 22.795 14.629 -12.345 1.00 27.33 C ATOM 506 OG1 THR A 36 24.098 15.121 -12.671 1.00 28.52 O ATOM 507 CG2 THR A 36 21.922 15.227 -13.425 1.00 28.53 C ATOM 508 HA THR A 36 22.524 16.227 -10.885 1.00 0.00 H ATOM 509 HB THR A 36 22.725 13.542 -12.307 1.00 0.00 H ATOM 510 HG1 THR A 36 24.084 16.111 -12.676 1.00 0.00 H ATOM 511 HG23 THR A 36 20.890 14.912 -13.272 1.00 0.00 H ATOM 512 HG21 THR A 36 21.982 16.314 -13.379 1.00 0.00 H ATOM 513 HG22 THR A 36 22.267 14.884 -14.400 1.00 0.00 H ATOM 514 H THR A 36 23.682 13.620 -10.172 1.00 0.00 H ATOM 515 N PRO A 37 20.109 15.896 -10.550 1.00 24.48 N ATOM 516 CA PRO A 37 18.664 15.706 -10.391 1.00 23.71 C ATOM 517 C PRO A 37 18.166 14.930 -11.597 1.00 23.21 C ATOM 518 O PRO A 37 18.482 15.280 -12.736 1.00 23.40 O ATOM 519 CB PRO A 37 18.102 17.133 -10.417 1.00 23.30 C ATOM 520 CG PRO A 37 19.274 18.037 -10.127 1.00 23.73 C ATOM 521 CD PRO A 37 20.511 17.313 -10.550 1.00 24.34 C ATOM 522 HA PRO A 37 18.378 15.167 -9.488 1.00 0.00 H ATOM 523 HD3 PRO A 37 20.824 17.628 -11.546 1.00 0.00 H ATOM 524 HD2 PRO A 37 21.323 17.486 -9.844 1.00 0.00 H ATOM 525 HG3 PRO A 37 19.318 18.260 -9.061 1.00 0.00 H ATOM 526 HG2 PRO A 37 19.176 18.967 -10.688 1.00 0.00 H ATOM 527 HB2 PRO A 37 17.681 17.358 -11.397 1.00 0.00 H ATOM 528 HB3 PRO A 37 17.331 17.253 -9.655 1.00 0.00 H ATOM 529 N VAL A 38 17.376 13.899 -11.367 1.00 22.95 N ATOM 530 CA VAL A 38 16.977 13.043 -12.474 1.00 22.98 C ATOM 531 C VAL A 38 15.816 13.560 -13.311 1.00 22.97 C ATOM 532 O VAL A 38 15.626 13.117 -14.442 1.00 23.12 O ATOM 533 CB VAL A 38 16.652 11.638 -11.979 1.00 23.22 C ATOM 534 CG1 VAL A 38 17.821 11.084 -11.179 1.00 24.23 C ATOM 535 CG2 VAL A 38 15.391 11.668 -11.143 1.00 22.44 C ATOM 536 HA VAL A 38 17.844 13.035 -13.135 1.00 0.00 H ATOM 537 HB VAL A 38 16.484 10.983 -12.834 1.00 0.00 H ATOM 538 HG11 VAL A 38 18.707 11.045 -11.812 1.00 0.00 H ATOM 539 HG12 VAL A 38 18.013 11.731 -10.323 1.00 0.00 H ATOM 540 HG13 VAL A 38 17.578 10.080 -10.830 1.00 0.00 H ATOM 541 HG21 VAL A 38 15.539 12.327 -10.287 1.00 0.00 H ATOM 542 HG22 VAL A 38 14.564 12.038 -11.749 1.00 0.00 H ATOM 543 HG23 VAL A 38 15.165 10.661 -10.793 1.00 0.00 H ATOM 544 H VAL A 38 17.041 13.700 -10.403 1.00 0.00 H ATOM 545 N ASP A 39 15.028 14.483 -12.766 1.00 22.61 N ATOM 546 CA ASP A 39 13.911 15.037 -13.516 1.00 22.30 C ATOM 547 C ASP A 39 13.375 16.331 -12.880 1.00 22.35 C ATOM 548 O ASP A 39 14.006 16.870 -11.969 1.00 21.45 O ATOM 549 CB ASP A 39 12.822 13.970 -13.764 1.00 22.07 C ATOM 550 CG ASP A 39 12.054 13.598 -12.523 1.00 22.56 C ATOM 551 OD1 ASP A 39 12.314 14.182 -11.435 1.00 19.71 O ATOM 552 OD2 ASP A 39 11.136 12.728 -12.559 1.00 21.41 O ATOM 553 HA ASP A 39 14.277 15.332 -14.500 1.00 0.00 H ATOM 554 HB2 ASP A 39 12.120 14.358 -14.502 1.00 0.00 H ATOM 555 HB3 ASP A 39 13.300 13.073 -14.156 1.00 0.00 H ATOM 556 H ASP A 39 15.212 14.811 -11.796 1.00 0.00 H ATOM 557 N ASP A 40 12.245 16.845 -13.374 1.00 22.38 N ATOM 558 CA ASP A 40 11.708 18.105 -12.859 1.00 22.78 C ATOM 559 C ASP A 40 11.331 18.011 -11.382 1.00 22.13 C ATOM 560 O ASP A 40 11.586 18.934 -10.603 1.00 21.99 O ATOM 561 CB ASP A 40 10.465 18.551 -13.631 1.00 23.33 C ATOM 562 CG ASP A 40 10.795 19.161 -14.964 1.00 27.86 C ATOM 563 OD1 ASP A 40 11.596 20.119 -15.001 1.00 33.61 O ATOM 564 OD2 ASP A 40 10.289 18.759 -16.029 1.00 32.87 O ATOM 565 HA ASP A 40 12.508 18.834 -12.987 1.00 0.00 H ATOM 566 HB2 ASP A 40 9.826 17.683 -13.793 1.00 0.00 H ATOM 567 HB3 ASP A 40 9.929 19.289 -13.033 1.00 0.00 H ATOM 568 H ASP A 40 11.741 16.344 -14.133 1.00 0.00 H ATOM 569 N LEU A 41 10.666 16.922 -11.024 1.00 20.36 N ATOM 570 CA LEU A 41 10.256 16.735 -9.651 1.00 19.96 C ATOM 571 C LEU A 41 11.488 16.698 -8.742 1.00 18.99 C ATOM 572 O LEU A 41 11.497 17.317 -7.682 1.00 18.43 O ATOM 573 CB LEU A 41 9.412 15.469 -9.508 1.00 19.47 C ATOM 574 CG LEU A 41 9.059 14.995 -8.099 1.00 21.00 C ATOM 575 CD1 LEU A 41 8.410 16.122 -7.297 1.00 22.02 C ATOM 576 CD2 LEU A 41 8.121 13.789 -8.219 1.00 22.22 C ATOM 577 HA LEU A 41 9.633 17.576 -9.345 1.00 0.00 H ATOM 578 HB2 LEU A 41 8.474 15.643 -10.036 1.00 0.00 H ATOM 579 HB3 LEU A 41 9.956 14.660 -9.995 1.00 0.00 H ATOM 580 HG LEU A 41 9.963 14.702 -7.565 1.00 0.00 H ATOM 581 HD21 LEU A 41 7.217 14.085 -8.752 1.00 0.00 H ATOM 582 HD22 LEU A 41 8.624 12.992 -8.767 1.00 0.00 H ATOM 583 HD23 LEU A 41 7.857 13.435 -7.222 1.00 0.00 H ATOM 584 HD11 LEU A 41 9.103 16.960 -7.224 1.00 0.00 H ATOM 585 HD12 LEU A 41 7.498 16.445 -7.799 1.00 0.00 H ATOM 586 HD13 LEU A 41 8.167 15.762 -6.297 1.00 0.00 H ATOM 587 H LEU A 41 10.438 16.198 -11.735 1.00 0.00 H ATOM 588 N ASP A 42 12.529 15.991 -9.168 1.00 17.40 N ATOM 589 CA ASP A 42 13.775 15.921 -8.406 1.00 16.80 C ATOM 590 C ASP A 42 14.381 17.318 -8.257 1.00 16.69 C ATOM 591 O ASP A 42 14.925 17.658 -7.210 1.00 16.14 O ATOM 592 CB ASP A 42 14.775 14.973 -9.089 1.00 16.44 C ATOM 593 CG ASP A 42 15.683 14.248 -8.108 1.00 17.48 C ATOM 594 OD1 ASP A 42 15.400 14.263 -6.869 1.00 14.33 O ATOM 595 OD2 ASP A 42 16.706 13.613 -8.500 1.00 15.22 O ATOM 596 HA ASP A 42 13.553 15.527 -7.414 1.00 0.00 H ATOM 597 HB2 ASP A 42 14.215 14.230 -9.657 1.00 0.00 H ATOM 598 HB3 ASP A 42 15.396 15.556 -9.769 1.00 0.00 H ATOM 599 H ASP A 42 12.456 15.474 -10.067 1.00 0.00 H ATOM 600 N ARG A 43 14.276 18.134 -9.296 1.00 16.30 N ATOM 601 CA ARG A 43 14.785 19.503 -9.221 1.00 16.98 C ATOM 602 C ARG A 43 14.011 20.338 -8.186 1.00 16.44 C ATOM 603 O ARG A 43 14.584 21.190 -7.531 1.00 16.51 O ATOM 604 CB ARG A 43 14.774 20.164 -10.596 1.00 17.50 C ATOM 605 CG ARG A 43 15.898 19.644 -11.511 1.00 21.33 C ATOM 606 CD ARG A 43 15.966 20.279 -12.887 1.00 26.68 C ATOM 607 NE ARG A 43 17.096 19.779 -13.681 1.00 30.75 N ATOM 608 CZ ARG A 43 18.376 20.113 -13.494 1.00 32.10 C ATOM 609 NH1 ARG A 43 18.728 20.964 -12.531 1.00 30.02 N ATOM 610 NH2 ARG A 43 19.308 19.588 -14.286 1.00 32.10 N ATOM 611 HA ARG A 43 15.820 19.455 -8.883 1.00 0.00 H ATOM 612 HB2 ARG A 43 13.814 19.964 -11.073 1.00 0.00 H ATOM 613 HB3 ARG A 43 14.897 21.239 -10.468 1.00 0.00 H ATOM 614 HG2 ARG A 43 16.849 19.824 -11.010 1.00 0.00 H ATOM 615 HG3 ARG A 43 15.755 18.571 -11.642 1.00 0.00 H ATOM 616 HD2 ARG A 43 16.071 21.358 -12.770 1.00 0.00 H ATOM 617 HD3 ARG A 43 15.040 20.061 -13.419 1.00 0.00 H ATOM 618 HE ARG A 43 16.883 19.112 -14.450 1.00 0.00 H ATOM 619 HH12 ARG A 43 19.729 21.214 -12.398 1.00 0.00 H ATOM 620 HH11 ARG A 43 18.002 21.378 -11.912 1.00 0.00 H ATOM 621 HH22 ARG A 43 20.308 19.840 -14.150 1.00 0.00 H ATOM 622 HH21 ARG A 43 19.036 18.926 -15.040 1.00 0.00 H ATOM 623 H ARG A 43 13.828 17.798 -10.172 1.00 0.00 H ATOM 624 N CYS A 44 12.724 20.060 -8.032 1.00 16.55 N ATOM 625 CA CYS A 44 11.899 20.711 -7.022 1.00 16.15 C ATOM 626 C CYS A 44 12.515 20.395 -5.661 1.00 15.66 C ATOM 627 O CYS A 44 12.698 21.277 -4.811 1.00 13.97 O ATOM 628 CB CYS A 44 10.493 20.126 -7.044 1.00 17.21 C ATOM 629 SG CYS A 44 9.416 20.630 -8.403 1.00 19.13 S ATOM 630 HA CYS A 44 11.851 21.783 -7.212 1.00 0.00 H ATOM 631 HB2 CYS A 44 10.003 20.411 -6.113 1.00 0.00 H ATOM 632 HB3 CYS A 44 10.589 19.041 -7.085 1.00 0.00 H ATOM 633 H CYS A 44 12.287 19.351 -8.655 1.00 0.00 H ATOM 634 N CYS A 45 12.875 19.133 -5.467 1.00 14.85 N ATOM 635 CA CYS A 45 13.464 18.716 -4.190 1.00 15.17 C ATOM 636 C CYS A 45 14.860 19.274 -3.936 1.00 14.47 C ATOM 637 O CYS A 45 15.214 19.583 -2.814 1.00 15.02 O ATOM 638 CB CYS A 45 13.480 17.194 -4.071 1.00 15.00 C ATOM 639 SG CYS A 45 11.787 16.564 -4.002 1.00 16.59 S ATOM 640 HA CYS A 45 12.820 19.142 -3.421 1.00 0.00 H ATOM 641 HB2 CYS A 45 14.010 16.908 -3.162 1.00 0.00 H ATOM 642 HB3 CYS A 45 13.989 16.769 -4.936 1.00 0.00 H ATOM 643 H CYS A 45 12.739 18.435 -6.225 1.00 0.00 H ATOM 644 N GLN A 46 15.661 19.374 -4.974 1.00 14.12 N ATOM 645 CA GLN A 46 16.997 19.945 -4.832 1.00 14.31 C ATOM 646 C GLN A 46 16.891 21.412 -4.357 1.00 13.29 C ATOM 647 O GLN A 46 17.656 21.847 -3.486 1.00 14.41 O ATOM 648 CB GLN A 46 17.760 19.844 -6.169 1.00 13.66 C ATOM 649 CG GLN A 46 19.175 20.441 -6.156 1.00 16.75 C ATOM 650 CD GLN A 46 19.759 20.589 -7.562 1.00 20.45 C ATOM 651 OE1 GLN A 46 19.057 21.013 -8.483 1.00 23.12 O ATOM 652 NE2 GLN A 46 21.025 20.197 -7.736 1.00 18.59 N ATOM 653 HA GLN A 46 17.555 19.383 -4.083 1.00 0.00 H ATOM 654 HB2 GLN A 46 17.840 18.790 -6.434 1.00 0.00 H ATOM 655 HB3 GLN A 46 17.180 20.366 -6.930 1.00 0.00 H ATOM 656 HG2 GLN A 46 19.136 21.424 -5.688 1.00 0.00 H ATOM 657 HG3 GLN A 46 19.825 19.788 -5.574 1.00 0.00 H ATOM 658 HE22 GLN A 46 21.577 19.846 -6.927 1.00 0.00 H ATOM 659 HE21 GLN A 46 21.458 20.243 -8.680 1.00 0.00 H ATOM 660 H GLN A 46 15.339 19.043 -5.906 1.00 0.00 H ATOM 661 N THR A 47 15.953 22.164 -4.925 1.00 12.75 N ATOM 662 CA THR A 47 15.783 23.568 -4.557 1.00 13.56 C ATOM 663 C THR A 47 15.387 23.596 -3.079 1.00 12.21 C ATOM 664 O THR A 47 15.893 24.387 -2.287 1.00 11.56 O ATOM 665 CB THR A 47 14.701 24.264 -5.425 1.00 14.43 C ATOM 666 OG1 THR A 47 15.237 24.572 -6.733 1.00 19.92 O ATOM 667 CG2 THR A 47 14.362 25.675 -4.852 1.00 14.33 C ATOM 668 HA THR A 47 16.711 24.114 -4.728 1.00 0.00 H ATOM 669 HB THR A 47 13.844 23.590 -5.448 1.00 0.00 H ATOM 670 HG1 THR A 47 14.540 25.015 -7.278 1.00 0.00 H ATOM 671 HG23 THR A 47 13.943 25.568 -3.851 1.00 0.00 H ATOM 672 HG21 THR A 47 15.271 26.275 -4.805 1.00 0.00 H ATOM 673 HG22 THR A 47 13.636 26.164 -5.501 1.00 0.00 H ATOM 674 H THR A 47 15.329 21.745 -5.644 1.00 0.00 H ATOM 675 N HIS A 48 14.485 22.703 -2.721 1.00 11.74 N ATOM 676 CA HIS A 48 13.992 22.606 -1.341 1.00 11.77 C ATOM 677 C HIS A 48 15.117 22.244 -0.373 1.00 11.97 C ATOM 678 O HIS A 48 15.238 22.847 0.677 1.00 11.81 O ATOM 679 CB HIS A 48 12.864 21.560 -1.264 1.00 12.71 C ATOM 680 CG HIS A 48 12.183 21.515 0.067 1.00 13.75 C ATOM 681 ND1 HIS A 48 12.266 20.432 0.918 1.00 18.19 N ATOM 682 CD2 HIS A 48 11.432 22.443 0.709 1.00 14.55 C ATOM 683 CE1 HIS A 48 11.576 20.683 2.019 1.00 18.08 C ATOM 684 NE2 HIS A 48 11.043 21.888 1.910 1.00 16.38 N ATOM 685 HA HIS A 48 13.602 23.581 -1.047 1.00 0.00 H ATOM 686 HB2 HIS A 48 12.120 21.797 -2.025 1.00 0.00 H ATOM 687 HB3 HIS A 48 13.290 20.577 -1.468 1.00 0.00 H ATOM 688 HD2 HIS A 48 11.183 23.440 0.345 1.00 0.00 H ATOM 689 HE1 HIS A 48 11.466 20.011 2.870 1.00 0.00 H ATOM 690 H HIS A 48 14.112 22.048 -3.437 1.00 0.00 H ATOM 691 N ASP A 49 15.923 21.241 -0.715 1.00 11.27 N ATOM 692 CA ASP A 49 17.049 20.870 0.111 1.00 11.40 C ATOM 693 C ASP A 49 18.018 22.051 0.310 1.00 11.28 C ATOM 694 O ASP A 49 18.449 22.326 1.413 1.00 9.89 O ATOM 695 CB ASP A 49 17.852 19.749 -0.558 1.00 12.13 C ATOM 696 CG ASP A 49 17.115 18.412 -0.575 1.00 15.56 C ATOM 697 OD1 ASP A 49 16.034 18.289 0.068 1.00 13.82 O ATOM 698 OD2 ASP A 49 17.562 17.419 -1.195 1.00 19.59 O ATOM 699 HA ASP A 49 16.641 20.551 1.070 1.00 0.00 H ATOM 700 HB2 ASP A 49 18.065 20.041 -1.586 1.00 0.00 H ATOM 701 HB3 ASP A 49 18.789 19.622 -0.016 1.00 0.00 H ATOM 702 H ASP A 49 15.739 20.715 -1.593 1.00 0.00 H ATOM 703 N ASN A 50 18.341 22.744 -0.763 1.00 11.12 N ATOM 704 CA ASN A 50 19.222 23.899 -0.703 1.00 11.88 C ATOM 705 C ASN A 50 18.593 25.011 0.168 1.00 11.91 C ATOM 706 O ASN A 50 19.287 25.713 0.887 1.00 10.83 O ATOM 707 CB ASN A 50 19.409 24.459 -2.115 1.00 12.83 C ATOM 708 CG ASN A 50 20.387 23.652 -2.942 1.00 14.56 C ATOM 709 OD1 ASN A 50 20.931 22.634 -2.490 1.00 17.84 O ATOM 710 ND2 ASN A 50 20.625 24.107 -4.150 1.00 14.91 N ATOM 711 HA ASN A 50 20.175 23.588 -0.274 1.00 0.00 H ATOM 712 HB2 ASN A 50 18.443 24.460 -2.620 1.00 0.00 H ATOM 713 HB3 ASN A 50 19.778 25.482 -2.038 1.00 0.00 H ATOM 714 HD22 ASN A 50 20.144 24.966 -4.486 1.00 0.00 H ATOM 715 HD21 ASN A 50 21.294 23.609 -4.771 1.00 0.00 H ATOM 716 H ASN A 50 17.953 22.455 -1.684 1.00 0.00 H ATOM 717 N CYS A 51 17.268 25.143 0.090 1.00 11.22 N ATOM 718 CA CYS A 51 16.556 26.206 0.811 1.00 11.42 C ATOM 719 C CYS A 51 16.650 25.937 2.331 1.00 11.62 C ATOM 720 O CYS A 51 16.833 26.856 3.134 1.00 11.94 O ATOM 721 CB CYS A 51 15.102 26.295 0.280 1.00 11.58 C ATOM 722 SG CYS A 51 14.098 27.708 0.834 1.00 13.14 S ATOM 723 HA CYS A 51 17.011 27.181 0.638 1.00 0.00 H ATOM 724 HB2 CYS A 51 14.585 25.385 0.586 1.00 0.00 H ATOM 725 HB3 CYS A 51 15.152 26.335 -0.808 1.00 0.00 H ATOM 726 H CYS A 51 16.726 24.477 -0.496 1.00 0.00 H ATOM 727 N TYR A 52 16.579 24.666 2.718 1.00 12.02 N ATOM 728 CA TYR A 52 16.777 24.295 4.121 1.00 12.70 C ATOM 729 C TYR A 52 18.195 24.566 4.565 1.00 13.01 C ATOM 730 O TYR A 52 18.420 24.997 5.691 1.00 12.13 O ATOM 731 CB TYR A 52 16.482 22.821 4.353 1.00 13.02 C ATOM 732 CG TYR A 52 15.023 22.491 4.656 1.00 13.40 C ATOM 733 CD1 TYR A 52 13.986 23.389 4.374 1.00 14.27 C ATOM 734 CD2 TYR A 52 14.688 21.253 5.184 1.00 15.07 C ATOM 735 CE1 TYR A 52 12.640 23.047 4.640 1.00 12.24 C ATOM 736 CE2 TYR A 52 13.368 20.905 5.451 1.00 15.92 C ATOM 737 CZ TYR A 52 12.355 21.794 5.201 1.00 14.78 C ATOM 738 OH TYR A 52 11.058 21.367 5.470 1.00 15.77 O ATOM 739 HA TYR A 52 16.084 24.904 4.702 1.00 0.00 H ATOM 740 HB3 TYR A 52 17.086 22.484 5.195 1.00 0.00 H ATOM 741 HB2 TYR A 52 16.773 22.273 3.457 1.00 0.00 H ATOM 742 HD2 TYR A 52 15.480 20.534 5.395 1.00 0.00 H ATOM 743 HE2 TYR A 52 13.138 19.921 5.861 1.00 0.00 H ATOM 744 HE1 TYR A 52 11.836 23.747 4.412 1.00 0.00 H ATOM 745 HD1 TYR A 52 14.219 24.363 3.944 1.00 0.00 H ATOM 746 HH TYR A 52 10.421 22.092 5.250 1.00 0.00 H ATOM 747 H TYR A 52 16.380 23.926 2.015 1.00 0.00 H ATOM 748 N ASN A 53 19.170 24.272 3.704 1.00 13.70 N ATOM 749 CA ASN A 53 20.553 24.526 4.095 1.00 15.43 C ATOM 750 C ASN A 53 20.768 26.000 4.407 1.00 15.69 C ATOM 751 O ASN A 53 21.540 26.356 5.309 1.00 15.94 O ATOM 752 CB ASN A 53 21.543 24.021 3.031 1.00 15.37 C ATOM 753 CG ASN A 53 21.672 22.515 3.048 1.00 17.19 C ATOM 754 OD1 ASN A 53 21.342 21.877 4.036 1.00 20.35 O ATOM 755 ND2 ASN A 53 22.126 21.937 1.954 1.00 18.78 N ATOM 756 HA ASN A 53 20.750 23.962 5.007 1.00 0.00 H ATOM 757 HB2 ASN A 53 21.193 24.334 2.047 1.00 0.00 H ATOM 758 HB3 ASN A 53 22.522 24.461 3.223 1.00 0.00 H ATOM 759 HD22 ASN A 53 22.397 22.516 1.134 1.00 0.00 H ATOM 760 HD21 ASN A 53 22.214 20.902 1.911 1.00 0.00 H ATOM 761 H ASN A 53 18.949 23.869 2.771 1.00 0.00 H ATOM 762 N GLU A 54 20.084 26.858 3.665 1.00 15.38 N ATOM 763 CA GLU A 54 20.189 28.293 3.888 1.00 16.01 C ATOM 764 C GLU A 54 19.532 28.692 5.189 1.00 16.57 C ATOM 765 O GLU A 54 20.099 29.452 5.963 1.00 15.75 O ATOM 766 CB GLU A 54 19.532 29.064 2.740 1.00 16.76 C ATOM 767 CG GLU A 54 20.400 29.095 1.500 1.00 19.14 C ATOM 768 CD GLU A 54 21.702 29.887 1.688 1.00 20.51 C ATOM 769 OE1 GLU A 54 21.663 30.979 2.274 1.00 21.42 O ATOM 770 OE2 GLU A 54 22.761 29.437 1.209 1.00 24.82 O ATOM 771 HA GLU A 54 21.250 28.540 3.936 1.00 0.00 H ATOM 772 HB2 GLU A 54 18.584 28.586 2.493 1.00 0.00 H ATOM 773 HB3 GLU A 54 19.347 30.088 3.065 1.00 0.00 H ATOM 774 HG2 GLU A 54 20.654 28.070 1.230 1.00 0.00 H ATOM 775 HG3 GLU A 54 19.831 29.552 0.691 1.00 0.00 H ATOM 776 H GLU A 54 19.462 26.501 2.911 1.00 0.00 H ATOM 777 N ALA A 55 18.326 28.180 5.420 1.00 15.77 N ATOM 778 CA ALA A 55 17.591 28.499 6.642 1.00 16.52 C ATOM 779 C ALA A 55 18.387 28.111 7.889 1.00 16.75 C ATOM 780 O ALA A 55 18.326 28.795 8.937 1.00 17.11 O ATOM 781 CB ALA A 55 16.203 27.795 6.626 1.00 15.86 C ATOM 782 HA ALA A 55 17.437 29.578 6.678 1.00 0.00 H ATOM 783 HB1 ALA A 55 15.633 28.139 5.763 1.00 0.00 H ATOM 784 HB2 ALA A 55 16.345 26.716 6.563 1.00 0.00 H ATOM 785 HB3 ALA A 55 15.663 28.039 7.541 1.00 0.00 H ATOM 786 H ALA A 55 17.899 27.542 4.719 1.00 0.00 H ATOM 787 N GLU A 56 19.135 27.023 7.776 1.00 16.78 N ATOM 788 CA GLU A 56 19.967 26.546 8.865 1.00 19.06 C ATOM 789 C GLU A 56 21.050 27.546 9.271 1.00 19.10 C ATOM 790 O GLU A 56 21.618 27.460 10.358 1.00 19.06 O ATOM 791 CB GLU A 56 20.593 25.217 8.490 1.00 19.42 C ATOM 792 CG GLU A 56 19.623 24.081 8.633 1.00 22.64 C ATOM 793 CD GLU A 56 19.911 22.928 7.703 1.00 29.57 C ATOM 794 OE1 GLU A 56 21.098 22.708 7.343 1.00 31.58 O ATOM 795 OE2 GLU A 56 18.931 22.241 7.314 1.00 32.65 O ATOM 796 HA GLU A 56 19.318 26.420 9.732 1.00 0.00 H ATOM 797 HB2 GLU A 56 20.929 25.265 7.454 1.00 0.00 H ATOM 798 HB3 GLU A 56 21.448 25.034 9.140 1.00 0.00 H ATOM 799 HG2 GLU A 56 19.666 23.717 9.659 1.00 0.00 H ATOM 800 HG3 GLU A 56 18.620 24.453 8.422 1.00 0.00 H ATOM 801 H GLU A 56 19.125 26.495 6.880 1.00 0.00 H ATOM 802 N ASN A 57 21.335 28.497 8.402 1.00 19.25 N ATOM 803 CA ASN A 57 22.308 29.529 8.746 1.00 20.84 C ATOM 804 C ASN A 57 21.760 30.485 9.810 1.00 20.69 C ATOM 805 O ASN A 57 22.517 31.236 10.417 1.00 21.56 O ATOM 806 CB ASN A 57 22.717 30.337 7.515 1.00 21.07 C ATOM 807 CG ASN A 57 23.610 29.570 6.577 1.00 25.53 C ATOM 808 OD1 ASN A 57 24.062 28.465 6.892 1.00 30.88 O ATOM 809 ND2 ASN A 57 23.896 30.163 5.406 1.00 30.06 N ATOM 810 HA ASN A 57 23.182 29.014 9.146 1.00 0.00 H ATOM 811 HB2 ASN A 57 21.816 30.629 6.976 1.00 0.00 H ATOM 812 HB3 ASN A 57 23.246 31.230 7.846 1.00 0.00 H ATOM 813 HD22 ASN A 57 23.492 31.095 5.183 1.00 0.00 H ATOM 814 HD21 ASN A 57 24.521 29.690 4.723 1.00 0.00 H ATOM 815 H ASN A 57 20.867 28.511 7.473 1.00 0.00 H ATOM 816 N ILE A 58 20.443 30.488 9.998 1.00 20.55 N ATOM 817 CA ILE A 58 19.823 31.332 11.011 1.00 20.20 C ATOM 818 C ILE A 58 20.021 30.676 12.366 1.00 20.19 C ATOM 819 O ILE A 58 19.803 29.488 12.536 1.00 18.96 O ATOM 820 CB ILE A 58 18.333 31.582 10.708 1.00 19.76 C ATOM 821 CG1 ILE A 58 18.171 32.323 9.372 1.00 19.65 C ATOM 822 CG2 ILE A 58 17.699 32.428 11.819 1.00 21.16 C ATOM 823 CD1 ILE A 58 16.728 32.336 8.867 1.00 20.60 C ATOM 824 HA ILE A 58 20.298 32.313 11.010 1.00 0.00 H ATOM 825 HB ILE A 58 17.835 30.614 10.651 1.00 0.00 H ATOM 826 HG12 ILE A 58 18.503 33.353 9.503 1.00 0.00 H ATOM 827 HG13 ILE A 58 18.796 31.834 8.625 1.00 0.00 H ATOM 828 HD11 ILE A 58 16.386 31.311 8.721 1.00 0.00 H ATOM 829 HD12 ILE A 58 16.092 32.832 9.600 1.00 0.00 H ATOM 830 HD13 ILE A 58 16.681 32.874 7.920 1.00 0.00 H ATOM 831 HG21 ILE A 58 17.786 31.902 12.769 1.00 0.00 H ATOM 832 HG22 ILE A 58 18.215 33.386 11.884 1.00 0.00 H ATOM 833 HG23 ILE A 58 16.647 32.596 11.590 1.00 0.00 H ATOM 834 H ILE A 58 19.843 29.875 9.410 1.00 0.00 H ATOM 835 N SER A 59 20.495 31.478 13.316 1.00 20.75 N ATOM 836 CA SER A 59 20.774 31.047 14.674 1.00 20.51 C ATOM 837 C SER A 59 19.587 30.336 15.303 1.00 18.70 C ATOM 838 O SER A 59 18.543 30.940 15.420 1.00 19.46 O ATOM 839 CB SER A 59 21.003 32.305 15.511 1.00 21.44 C ATOM 840 OG SER A 59 21.249 31.962 16.880 1.00 25.51 O ATOM 841 HA SER A 59 21.628 30.370 14.647 1.00 0.00 H ATOM 842 HB2 SER A 59 20.119 32.940 15.454 1.00 0.00 H ATOM 843 HB3 SER A 59 21.863 32.846 15.117 1.00 0.00 H ATOM 844 HG SER A 59 20.468 31.473 17.242 1.00 0.00 H ATOM 845 H SER A 59 20.676 32.472 13.071 1.00 0.00 H ATOM 846 N GLY A 60 19.744 29.082 15.697 1.00 16.99 N ATOM 847 CA GLY A 60 18.675 28.297 16.298 1.00 16.02 C ATOM 848 C GLY A 60 17.558 27.838 15.369 1.00 15.27 C ATOM 849 O GLY A 60 16.484 27.478 15.849 1.00 15.93 O ATOM 850 HA3 GLY A 60 18.223 28.901 17.085 1.00 0.00 H ATOM 851 HA2 GLY A 60 19.125 27.407 16.738 1.00 0.00 H ATOM 852 H GLY A 60 20.675 28.636 15.571 1.00 0.00 H ATOM 853 N CYS A 61 17.779 27.873 14.070 1.00 13.46 N ATOM 854 CA CYS A 61 16.751 27.519 13.092 1.00 13.36 C ATOM 855 C CYS A 61 16.938 26.085 12.588 1.00 12.23 C ATOM 856 O CYS A 61 17.940 25.791 11.943 1.00 11.90 O ATOM 857 CB CYS A 61 16.802 28.507 11.923 1.00 12.91 C ATOM 858 SG CYS A 61 15.343 28.418 10.841 1.00 13.81 S ATOM 859 HA CYS A 61 15.775 27.575 13.574 1.00 0.00 H ATOM 860 HB2 CYS A 61 17.689 28.292 11.327 1.00 0.00 H ATOM 861 HB3 CYS A 61 16.873 29.517 12.326 1.00 0.00 H ATOM 862 H CYS A 61 18.718 28.163 13.729 1.00 0.00 H ATOM 863 N ARG A 62 15.977 25.214 12.890 1.00 11.56 N ATOM 864 CA ARG A 62 16.037 23.809 12.514 1.00 12.51 C ATOM 865 C ARG A 62 14.815 23.451 11.662 1.00 12.78 C ATOM 866 O ARG A 62 13.736 23.180 12.180 1.00 12.74 O ATOM 867 CB ARG A 62 16.139 22.959 13.779 1.00 12.52 C ATOM 868 CG ARG A 62 17.278 23.431 14.687 1.00 13.78 C ATOM 869 CD ARG A 62 17.394 22.762 16.027 1.00 17.55 C ATOM 870 NE ARG A 62 16.333 23.186 16.933 1.00 20.84 N ATOM 871 CZ ARG A 62 16.452 24.141 17.849 1.00 22.03 C ATOM 872 NH1 ARG A 62 17.586 24.819 17.994 1.00 23.42 N ATOM 873 NH2 ARG A 62 15.417 24.433 18.621 1.00 23.12 N ATOM 874 HA ARG A 62 16.920 23.609 11.907 1.00 0.00 H ATOM 875 HB2 ARG A 62 15.199 23.026 14.327 1.00 0.00 H ATOM 876 HB3 ARG A 62 16.320 21.922 13.495 1.00 0.00 H ATOM 877 HG2 ARG A 62 18.215 23.268 14.154 1.00 0.00 H ATOM 878 HG3 ARG A 62 17.141 24.498 14.861 1.00 0.00 H ATOM 879 HD2 ARG A 62 18.358 23.016 16.467 1.00 0.00 H ATOM 880 HD3 ARG A 62 17.332 21.682 15.890 1.00 0.00 H ATOM 881 HE ARG A 62 15.414 22.705 16.856 1.00 0.00 H ATOM 882 HH12 ARG A 62 17.658 25.563 18.717 1.00 0.00 H ATOM 883 HH11 ARG A 62 18.401 24.606 17.384 1.00 0.00 H ATOM 884 HH22 ARG A 62 15.499 25.179 19.341 1.00 0.00 H ATOM 885 HH21 ARG A 62 14.521 23.917 18.507 1.00 0.00 H ATOM 886 H ARG A 62 15.147 25.552 13.418 1.00 0.00 H ATOM 887 N PRO A 63 14.990 23.501 10.345 1.00 13.73 N ATOM 888 CA PRO A 63 13.892 23.320 9.387 1.00 13.98 C ATOM 889 C PRO A 63 12.983 22.128 9.619 1.00 14.30 C ATOM 890 O PRO A 63 11.783 22.287 9.478 1.00 14.21 O ATOM 891 CB PRO A 63 14.626 23.141 8.060 1.00 14.74 C ATOM 892 CG PRO A 63 15.802 23.988 8.203 1.00 14.59 C ATOM 893 CD PRO A 63 16.261 23.789 9.665 1.00 13.93 C ATOM 894 HA PRO A 63 13.209 24.167 9.456 1.00 0.00 H ATOM 895 HD3 PRO A 63 16.956 22.954 9.753 1.00 0.00 H ATOM 896 HD2 PRO A 63 16.727 24.691 10.061 1.00 0.00 H ATOM 897 HG3 PRO A 63 15.548 25.032 8.019 1.00 0.00 H ATOM 898 HG2 PRO A 63 16.584 23.679 7.510 1.00 0.00 H ATOM 899 HB2 PRO A 63 14.912 22.100 7.910 1.00 0.00 H ATOM 900 HB3 PRO A 63 14.008 23.471 7.225 1.00 0.00 H ATOM 901 N TYR A 64 13.529 20.959 9.944 1.00 14.00 N ATOM 902 CA TYR A 64 12.684 19.780 10.154 1.00 15.61 C ATOM 903 C TYR A 64 11.750 19.935 11.359 1.00 15.15 C ATOM 904 O TYR A 64 10.680 19.333 11.410 1.00 16.14 O ATOM 905 CB TYR A 64 13.555 18.533 10.402 1.00 16.15 C ATOM 906 CG TYR A 64 14.240 17.853 9.232 1.00 20.92 C ATOM 907 CD1 TYR A 64 14.801 18.583 8.198 1.00 24.54 C ATOM 908 CD2 TYR A 64 14.361 16.466 9.190 1.00 26.54 C ATOM 909 CE1 TYR A 64 15.440 17.957 7.136 1.00 28.84 C ATOM 910 CE2 TYR A 64 15.000 15.830 8.130 1.00 29.08 C ATOM 911 CZ TYR A 64 15.534 16.584 7.106 1.00 29.78 C ATOM 912 OH TYR A 64 16.157 15.959 6.052 1.00 31.84 O ATOM 913 HA TYR A 64 12.085 19.672 9.250 1.00 0.00 H ATOM 914 HB3 TYR A 64 12.914 17.787 10.871 1.00 0.00 H ATOM 915 HB2 TYR A 64 14.338 18.827 11.100 1.00 0.00 H ATOM 916 HD2 TYR A 64 13.948 15.868 10.002 1.00 0.00 H ATOM 917 HE2 TYR A 64 15.078 14.743 8.109 1.00 0.00 H ATOM 918 HE1 TYR A 64 15.866 18.551 6.328 1.00 0.00 H ATOM 919 HD1 TYR A 64 14.740 19.671 8.218 1.00 0.00 H ATOM 920 HH TYR A 64 16.481 16.640 5.411 1.00 0.00 H ATOM 921 H TYR A 64 14.561 20.881 10.050 1.00 0.00 H ATOM 922 N PHE A 65 12.171 20.726 12.337 1.00 14.47 N ATOM 923 CA PHE A 65 11.446 20.801 13.604 1.00 15.05 C ATOM 924 C PHE A 65 10.736 22.109 13.911 1.00 14.71 C ATOM 925 O PHE A 65 9.878 22.129 14.773 1.00 14.85 O ATOM 926 CB PHE A 65 12.411 20.499 14.743 1.00 14.87 C ATOM 927 CG PHE A 65 13.098 19.173 14.601 1.00 16.36 C ATOM 928 CD1 PHE A 65 12.431 18.012 14.920 1.00 18.53 C ATOM 929 CD2 PHE A 65 14.395 19.094 14.118 1.00 16.36 C ATOM 930 CE1 PHE A 65 13.080 16.778 14.786 1.00 21.43 C ATOM 931 CE2 PHE A 65 15.029 17.862 13.966 1.00 20.06 C ATOM 932 CZ PHE A 65 14.377 16.713 14.304 1.00 18.22 C ATOM 933 HA PHE A 65 10.648 20.065 13.504 1.00 0.00 H ATOM 934 HB2 PHE A 65 13.170 21.281 14.771 1.00 0.00 H ATOM 935 HB3 PHE A 65 11.853 20.502 15.680 1.00 0.00 H ATOM 936 HD2 PHE A 65 14.926 20.008 13.853 1.00 0.00 H ATOM 937 HE2 PHE A 65 16.046 17.817 13.577 1.00 0.00 H ATOM 938 HZ PHE A 65 14.874 15.749 14.195 1.00 0.00 H ATOM 939 HE1 PHE A 65 12.560 15.861 15.063 1.00 0.00 H ATOM 940 HD1 PHE A 65 11.401 18.053 15.276 1.00 0.00 H ATOM 941 H PHE A 65 13.028 21.300 12.201 1.00 0.00 H ATOM 942 N LYS A 66 11.086 23.189 13.218 1.00 14.23 N ATOM 943 CA LYS A 66 10.490 24.488 13.524 1.00 14.67 C ATOM 944 C LYS A 66 9.031 24.519 13.075 1.00 14.87 C ATOM 945 O LYS A 66 8.717 24.242 11.914 1.00 13.95 O ATOM 946 CB LYS A 66 11.243 25.632 12.835 1.00 14.92 C ATOM 947 CG LYS A 66 10.578 27.012 13.027 1.00 16.15 C ATOM 948 CD LYS A 66 10.741 27.503 14.465 1.00 15.55 C ATOM 949 CE LYS A 66 9.957 28.794 14.731 1.00 18.13 C ATOM 950 NZ LYS A 66 10.143 29.229 16.135 1.00 19.82 N ATOM 951 HA LYS A 66 10.554 24.626 14.603 1.00 0.00 H ATOM 952 HB2 LYS A 66 12.253 25.676 13.243 1.00 0.00 H ATOM 953 HB3 LYS A 66 11.293 25.419 11.767 1.00 0.00 H ATOM 954 HG2 LYS A 66 11.043 27.729 12.350 1.00 0.00 H ATOM 955 HG3 LYS A 66 9.516 26.932 12.796 1.00 0.00 H ATOM 956 HD2 LYS A 66 10.382 26.729 15.143 1.00 0.00 H ATOM 957 HD3 LYS A 66 11.798 27.689 14.655 1.00 0.00 H ATOM 958 HE2 LYS A 66 8.898 28.616 14.547 1.00 0.00 H ATOM 959 HE3 LYS A 66 10.314 29.576 14.062 1.00 0.00 H ATOM 960 HZ1 LYS A 66 9.800 28.485 16.776 1.00 0.00 H ATOM 961 HZ2 LYS A 66 11.153 29.402 16.312 1.00 0.00 H ATOM 962 HZ3 LYS A 66 9.606 30.104 16.299 1.00 0.00 H ATOM 963 H LYS A 66 11.787 23.109 12.454 1.00 0.00 H ATOM 964 N THR A 67 8.160 24.886 14.001 1.00 14.88 N ATOM 965 CA THR A 67 6.735 25.003 13.746 1.00 16.12 C ATOM 966 C THR A 67 6.441 26.409 13.251 1.00 16.09 C ATOM 967 O THR A 67 6.757 27.383 13.938 1.00 16.17 O ATOM 968 CB THR A 67 6.003 24.748 15.073 1.00 16.69 C ATOM 969 OG1 THR A 67 6.247 23.394 15.422 1.00 19.34 O ATOM 970 CG2 THR A 67 4.500 24.837 14.902 1.00 16.71 C ATOM 971 HA THR A 67 6.406 24.286 12.993 1.00 0.00 H ATOM 972 HB THR A 67 6.347 25.479 15.805 1.00 0.00 H ATOM 973 HG1 THR A 67 5.791 23.187 16.276 1.00 0.00 H ATOM 974 HG23 THR A 67 4.226 25.856 14.630 1.00 0.00 H ATOM 975 HG21 THR A 67 4.184 24.152 14.115 1.00 0.00 H ATOM 976 HG22 THR A 67 4.012 24.566 15.838 1.00 0.00 H ATOM 977 H THR A 67 8.512 25.101 14.956 1.00 0.00 H ATOM 978 N TYR A 68 5.884 26.513 12.048 1.00 15.12 N ATOM 979 CA TYR A 68 5.532 27.795 11.494 1.00 15.18 C ATOM 980 C TYR A 68 4.031 27.969 11.432 1.00 15.51 C ATOM 981 O TYR A 68 3.254 27.066 11.773 1.00 16.08 O ATOM 982 CB TYR A 68 6.156 28.003 10.100 1.00 14.45 C ATOM 983 CG TYR A 68 6.014 26.843 9.144 1.00 14.40 C ATOM 984 CD1 TYR A 68 4.770 26.491 8.618 1.00 14.03 C ATOM 985 CD2 TYR A 68 7.133 26.083 8.776 1.00 13.55 C ATOM 986 CE1 TYR A 68 4.639 25.437 7.751 1.00 14.37 C ATOM 987 CE2 TYR A 68 7.026 25.043 7.893 1.00 11.56 C ATOM 988 CZ TYR A 68 5.777 24.705 7.393 1.00 14.03 C ATOM 989 OH TYR A 68 5.649 23.657 6.534 1.00 13.15 O ATOM 990 HA TYR A 68 5.940 28.555 12.160 1.00 0.00 H ATOM 991 HB3 TYR A 68 7.220 28.200 10.234 1.00 0.00 H ATOM 992 HB2 TYR A 68 5.681 28.873 9.646 1.00 0.00 H ATOM 993 HD2 TYR A 68 8.107 26.325 9.201 1.00 0.00 H ATOM 994 HE2 TYR A 68 7.912 24.487 7.586 1.00 0.00 H ATOM 995 HE1 TYR A 68 3.662 25.173 7.346 1.00 0.00 H ATOM 996 HD1 TYR A 68 3.887 27.064 8.901 1.00 0.00 H ATOM 997 HH TYR A 68 6.194 23.827 5.725 1.00 0.00 H ATOM 998 H TYR A 68 5.699 25.651 11.496 1.00 0.00 H ATOM 999 N SER A 69 3.618 29.146 10.994 1.00 16.10 N ATOM 1000 CA SER A 69 2.202 29.440 10.884 1.00 16.55 C ATOM 1001 C SER A 69 1.837 29.533 9.394 1.00 15.71 C ATOM 1002 O SER A 69 2.465 30.281 8.648 1.00 15.66 O ATOM 1003 CB SER A 69 1.894 30.741 11.631 1.00 16.49 C ATOM 1004 OG SER A 69 0.572 31.152 11.369 1.00 22.02 O ATOM 1005 HA SER A 69 1.602 28.651 11.337 1.00 0.00 H ATOM 1006 HB2 SER A 69 2.585 31.517 11.302 1.00 0.00 H ATOM 1007 HB3 SER A 69 2.015 30.579 12.702 1.00 0.00 H ATOM 1008 HG SER A 69 0.386 31.993 11.857 1.00 0.00 H ATOM 1009 H SER A 69 4.316 29.869 10.725 1.00 0.00 H ATOM 1010 N TYR A 70 0.833 28.766 8.969 1.00 16.16 N ATOM 1011 CA TYR A 70 0.439 28.705 7.556 1.00 16.54 C ATOM 1012 C TYR A 70 -1.020 28.267 7.439 1.00 17.78 C ATOM 1013 O TYR A 70 -1.612 27.783 8.402 1.00 17.00 O ATOM 1014 CB TYR A 70 1.349 27.721 6.775 1.00 16.26 C ATOM 1015 CG TYR A 70 0.994 26.264 7.005 1.00 17.41 C ATOM 1016 CD1 TYR A 70 1.255 25.658 8.222 1.00 17.38 C ATOM 1017 CD2 TYR A 70 0.364 25.498 6.010 1.00 17.78 C ATOM 1018 CE1 TYR A 70 0.917 24.346 8.452 1.00 16.47 C ATOM 1019 CE2 TYR A 70 0.034 24.177 6.234 1.00 18.38 C ATOM 1020 CZ TYR A 70 0.308 23.604 7.460 1.00 17.82 C ATOM 1021 OH TYR A 70 -0.041 22.281 7.708 1.00 20.60 O ATOM 1022 HA TYR A 70 0.552 29.699 7.124 1.00 0.00 H ATOM 1023 HB3 TYR A 70 2.381 27.880 7.089 1.00 0.00 H ATOM 1024 HB2 TYR A 70 1.258 27.936 5.710 1.00 0.00 H ATOM 1025 HD2 TYR A 70 0.133 25.954 5.047 1.00 0.00 H ATOM 1026 HE2 TYR A 70 -0.440 23.589 5.448 1.00 0.00 H ATOM 1027 HE1 TYR A 70 1.130 23.891 9.419 1.00 0.00 H ATOM 1028 HD1 TYR A 70 1.738 26.232 9.013 1.00 0.00 H ATOM 1029 HH TYR A 70 0.227 22.037 8.629 1.00 0.00 H ATOM 1030 H TYR A 70 0.311 28.192 9.661 1.00 0.00 H ATOM 1031 N GLU A 71 -1.578 28.412 6.246 1.00 18.84 N ATOM 1032 CA GLU A 71 -2.952 28.029 5.980 1.00 20.93 C ATOM 1033 C GLU A 71 -3.056 27.395 4.591 1.00 21.34 C ATOM 1034 O GLU A 71 -2.372 27.791 3.658 1.00 20.44 O ATOM 1035 CB GLU A 71 -3.873 29.263 6.089 1.00 21.12 C ATOM 1036 CG GLU A 71 -5.324 28.986 5.752 1.00 25.73 C ATOM 1037 CD GLU A 71 -6.238 30.178 5.987 1.00 31.66 C ATOM 1038 OE1 GLU A 71 -5.754 31.226 6.487 1.00 32.96 O ATOM 1039 OE2 GLU A 71 -7.445 30.060 5.660 1.00 33.61 O ATOM 1040 HA GLU A 71 -3.271 27.295 6.719 1.00 0.00 H ATOM 1041 HB2 GLU A 71 -3.825 29.637 7.112 1.00 0.00 H ATOM 1042 HB3 GLU A 71 -3.503 30.028 5.406 1.00 0.00 H ATOM 1043 HG2 GLU A 71 -5.387 28.704 4.701 1.00 0.00 H ATOM 1044 HG3 GLU A 71 -5.670 28.158 6.370 1.00 0.00 H ATOM 1045 H GLU A 71 -1.011 28.815 5.473 1.00 0.00 H ATOM 1046 N CYS A 72 -3.925 26.401 4.483 1.00 23.16 N ATOM 1047 CA CYS A 72 -4.197 25.706 3.239 1.00 25.41 C ATOM 1048 C CYS A 72 -5.709 25.607 3.122 1.00 25.09 C ATOM 1049 O CYS A 72 -6.320 24.826 3.836 1.00 24.68 O ATOM 1050 CB CYS A 72 -3.650 24.290 3.318 1.00 26.66 C ATOM 1051 SG CYS A 72 -2.172 23.992 2.358 1.00 38.08 S ATOM 1052 HA CYS A 72 -3.744 26.230 2.397 1.00 0.00 H ATOM 1053 HB2 CYS A 72 -4.425 23.609 2.966 1.00 0.00 H ATOM 1054 HB3 CYS A 72 -3.424 24.073 4.362 1.00 0.00 H ATOM 1055 H CYS A 72 -4.440 26.103 5.336 1.00 0.00 H ATOM 1056 N THR A 73 -6.306 26.440 2.270 1.00 24.90 N ATOM 1057 CA THR A 73 -7.756 26.462 2.059 1.00 25.22 C ATOM 1058 C THR A 73 -8.095 26.964 0.686 1.00 23.58 C ATOM 1059 O THR A 73 -7.499 27.940 0.190 1.00 22.73 O ATOM 1060 CB THR A 73 -8.535 27.462 2.976 1.00 25.31 C ATOM 1061 OG1 THR A 73 -7.713 28.574 3.344 1.00 30.33 O ATOM 1062 CG2 THR A 73 -8.961 26.849 4.248 1.00 28.48 C ATOM 1063 HA THR A 73 -8.042 25.429 2.258 1.00 0.00 H ATOM 1064 HB THR A 73 -9.400 27.768 2.387 1.00 0.00 H ATOM 1065 HG1 THR A 73 -8.231 29.188 3.922 1.00 0.00 H ATOM 1066 HG23 THR A 73 -9.596 25.988 4.040 1.00 0.00 H ATOM 1067 HG21 THR A 73 -8.082 26.527 4.807 1.00 0.00 H ATOM 1068 HG22 THR A 73 -9.518 27.580 4.834 1.00 0.00 H ATOM 1069 H THR A 73 -5.716 27.105 1.730 1.00 0.00 H ATOM 1070 N GLN A 74 -9.131 26.333 0.137 1.00 22.05 N ATOM 1071 CA GLN A 74 -9.738 26.759 -1.115 1.00 20.91 C ATOM 1072 C GLN A 74 -8.719 26.904 -2.218 1.00 20.41 C ATOM 1073 O GLN A 74 -8.739 27.875 -2.970 1.00 20.36 O ATOM 1074 CB GLN A 74 -10.519 28.064 -0.890 1.00 20.78 C ATOM 1075 CG GLN A 74 -11.773 27.832 -0.085 1.00 22.60 C ATOM 1076 CD GLN A 74 -12.704 29.040 0.019 1.00 25.51 C ATOM 1077 OE1 GLN A 74 -13.840 28.905 0.495 1.00 27.99 O ATOM 1078 NE2 GLN A 74 -12.227 30.211 -0.369 1.00 23.90 N ATOM 1079 HA GLN A 74 -10.432 25.985 -1.442 1.00 0.00 H ATOM 1080 HB2 GLN A 74 -9.882 28.770 -0.357 1.00 0.00 H ATOM 1081 HB3 GLN A 74 -10.793 28.483 -1.858 1.00 0.00 H ATOM 1082 HG2 GLN A 74 -12.327 27.016 -0.549 1.00 0.00 H ATOM 1083 HG3 GLN A 74 -11.479 27.543 0.924 1.00 0.00 H ATOM 1084 HE22 GLN A 74 -11.267 30.277 -0.763 1.00 0.00 H ATOM 1085 HE21 GLN A 74 -12.812 31.066 -0.280 1.00 0.00 H ATOM 1086 H GLN A 74 -9.523 25.501 0.623 1.00 0.00 H ATOM 1087 N GLY A 75 -7.819 25.927 -2.292 1.00 19.69 N ATOM 1088 CA GLY A 75 -6.828 25.876 -3.346 1.00 19.39 C ATOM 1089 C GLY A 75 -5.629 26.797 -3.155 1.00 19.32 C ATOM 1090 O GLY A 75 -4.777 26.906 -4.051 1.00 19.01 O ATOM 1091 HA3 GLY A 75 -7.316 26.148 -4.282 1.00 0.00 H ATOM 1092 HA2 GLY A 75 -6.460 24.852 -3.414 1.00 0.00 H ATOM 1093 H GLY A 75 -7.828 25.177 -1.571 1.00 0.00 H ATOM 1094 N THR A 76 -5.560 27.461 -2.009 1.00 18.51 N ATOM 1095 CA THR A 76 -4.494 28.426 -1.756 1.00 19.57 C ATOM 1096 C THR A 76 -3.632 28.113 -0.520 1.00 19.01 C ATOM 1097 O THR A 76 -4.136 27.875 0.557 1.00 18.49 O ATOM 1098 CB THR A 76 -5.094 29.850 -1.612 1.00 19.76 C ATOM 1099 OG1 THR A 76 -5.596 30.309 -2.885 1.00 22.19 O ATOM 1100 CG2 THR A 76 -4.000 30.862 -1.277 1.00 22.37 C ATOM 1101 HA THR A 76 -3.830 28.362 -2.618 1.00 0.00 H ATOM 1102 HB THR A 76 -5.863 29.786 -0.842 1.00 0.00 H ATOM 1103 HG1 THR A 76 -5.976 31.217 -2.781 1.00 0.00 H ATOM 1104 HG23 THR A 76 -3.549 30.603 -0.319 1.00 0.00 H ATOM 1105 HG21 THR A 76 -3.238 30.843 -2.056 1.00 0.00 H ATOM 1106 HG22 THR A 76 -4.435 31.859 -1.217 1.00 0.00 H ATOM 1107 H THR A 76 -6.279 27.291 -1.277 1.00 0.00 H ATOM 1108 N LEU A 77 -2.321 28.164 -0.684 1.00 19.05 N ATOM 1109 CA LEU A 77 -1.420 27.897 0.428 1.00 19.39 C ATOM 1110 C LEU A 77 -0.733 29.211 0.783 1.00 19.30 C ATOM 1111 O LEU A 77 -0.184 29.886 -0.118 1.00 19.64 O ATOM 1112 CB LEU A 77 -0.428 26.821 -0.042 1.00 19.74 C ATOM 1113 CG LEU A 77 0.638 26.297 0.886 1.00 20.30 C ATOM 1114 CD1 LEU A 77 -0.041 25.656 2.088 1.00 20.92 C ATOM 1115 CD2 LEU A 77 1.482 25.249 0.120 1.00 20.84 C ATOM 1116 HA LEU A 77 -1.928 27.529 1.319 1.00 0.00 H ATOM 1117 HB2 LEU A 77 -1.024 25.961 -0.349 1.00 0.00 H ATOM 1118 HB3 LEU A 77 0.089 27.232 -0.909 1.00 0.00 H ATOM 1119 HG LEU A 77 1.289 27.101 1.229 1.00 0.00 H ATOM 1120 HD21 LEU A 77 0.837 24.433 -0.206 1.00 0.00 H ATOM 1121 HD22 LEU A 77 1.942 25.720 -0.749 1.00 0.00 H ATOM 1122 HD23 LEU A 77 2.259 24.859 0.778 1.00 0.00 H ATOM 1123 HD11 LEU A 77 -0.648 26.402 2.601 1.00 0.00 H ATOM 1124 HD12 LEU A 77 -0.677 24.837 1.751 1.00 0.00 H ATOM 1125 HD13 LEU A 77 0.717 25.271 2.770 1.00 0.00 H ATOM 1126 H LEU A 77 -1.929 28.398 -1.618 1.00 0.00 H ATOM 1127 N THR A 78 -0.763 29.557 2.072 1.00 18.74 N ATOM 1128 CA THR A 78 -0.192 30.792 2.558 1.00 20.12 C ATOM 1129 C THR A 78 0.599 30.673 3.843 1.00 19.68 C ATOM 1130 O THR A 78 0.142 30.036 4.808 1.00 19.16 O ATOM 1131 CB THR A 78 -1.314 31.811 2.852 1.00 20.31 C ATOM 1132 OG1 THR A 78 -2.008 32.102 1.637 1.00 23.89 O ATOM 1133 CG2 THR A 78 -0.699 33.146 3.192 1.00 23.07 C ATOM 1134 HA THR A 78 0.486 31.101 1.763 1.00 0.00 H ATOM 1135 HB THR A 78 -1.942 31.396 3.641 1.00 0.00 H ATOM 1136 HG1 THR A 78 -2.400 31.268 1.274 1.00 0.00 H ATOM 1137 HG23 THR A 78 -0.131 33.058 4.118 1.00 0.00 H ATOM 1138 HG21 THR A 78 -0.035 33.455 2.385 1.00 0.00 H ATOM 1139 HG22 THR A 78 -1.489 33.887 3.318 1.00 0.00 H ATOM 1140 H THR A 78 -1.215 28.913 2.752 1.00 0.00 H ATOM 1141 N CYS A 79 1.753 31.331 3.856 1.00 19.03 N ATOM 1142 CA CYS A 79 2.539 31.476 5.054 1.00 20.08 C ATOM 1143 C CYS A 79 2.071 32.787 5.673 1.00 21.66 C ATOM 1144 O CYS A 79 2.073 33.837 5.012 1.00 21.56 O ATOM 1145 CB CYS A 79 4.028 31.558 4.723 1.00 19.32 C ATOM 1146 SG CYS A 79 4.676 30.009 4.084 1.00 16.26 S ATOM 1147 HA CYS A 79 2.412 30.626 5.725 1.00 0.00 H ATOM 1148 HB2 CYS A 79 4.574 31.819 5.630 1.00 0.00 H ATOM 1149 HB3 CYS A 79 4.178 32.336 3.974 1.00 0.00 H ATOM 1150 H CYS A 79 2.100 31.755 2.972 1.00 0.00 H ATOM 1151 N LYS A 80 1.665 32.719 6.931 1.00 23.42 N ATOM 1152 CA LYS A 80 1.094 33.871 7.628 1.00 25.85 C ATOM 1153 C LYS A 80 2.116 34.878 8.158 1.00 26.88 C ATOM 1154 O LYS A 80 3.300 34.570 8.330 1.00 26.93 O ATOM 1155 CB LYS A 80 0.270 33.392 8.803 1.00 25.83 C ATOM 1156 CG LYS A 80 -0.924 32.558 8.435 1.00 29.20 C ATOM 1157 CD LYS A 80 -1.681 32.190 9.709 1.00 33.46 C ATOM 1158 CE LYS A 80 -3.062 31.636 9.428 1.00 36.35 C ATOM 1159 NZ LYS A 80 -3.880 31.522 10.687 1.00 36.76 N ATOM 1160 HA LYS A 80 0.497 34.389 6.877 1.00 0.00 H ATOM 1161 HB2 LYS A 80 0.914 32.796 9.449 1.00 0.00 H ATOM 1162 HB3 LYS A 80 -0.082 34.267 9.350 1.00 0.00 H ATOM 1163 HG2 LYS A 80 -1.577 33.126 7.772 1.00 0.00 H ATOM 1164 HG3 LYS A 80 -0.595 31.650 7.929 1.00 0.00 H ATOM 1165 HD2 LYS A 80 -1.107 31.439 10.251 1.00 0.00 H ATOM 1166 HD3 LYS A 80 -1.782 33.083 10.326 1.00 0.00 H ATOM 1167 HE2 LYS A 80 -2.962 30.647 8.980 1.00 0.00 H ATOM 1168 HE3 LYS A 80 -3.575 32.299 8.732 1.00 0.00 H ATOM 1169 HZ1 LYS A 80 -3.400 30.885 11.355 1.00 0.00 H ATOM 1170 HZ2 LYS A 80 -3.984 32.463 11.118 1.00 0.00 H ATOM 1171 HZ3 LYS A 80 -4.819 31.139 10.455 1.00 0.00 H ATOM 1172 H LYS A 80 1.755 31.817 7.440 1.00 0.00 H ATOM 1173 N GLY A 81 1.617 36.070 8.468 1.00 27.77 N ATOM 1174 CA GLY A 81 2.439 37.161 8.961 1.00 29.36 C ATOM 1175 C GLY A 81 3.059 37.041 10.349 1.00 29.88 C ATOM 1176 O GLY A 81 4.000 37.781 10.666 1.00 31.10 O ATOM 1177 HA3 GLY A 81 1.817 38.056 8.963 1.00 0.00 H ATOM 1178 HA2 GLY A 81 3.258 37.291 8.254 1.00 0.00 H ATOM 1179 H GLY A 81 0.596 36.228 8.353 1.00 0.00 H ATOM 1180 N ASP A 82 2.570 36.129 11.181 1.00 29.90 N ATOM 1181 CA ASP A 82 3.156 35.991 12.517 1.00 30.30 C ATOM 1182 C ASP A 82 4.299 34.972 12.577 1.00 29.01 C ATOM 1183 O ASP A 82 4.418 34.234 13.539 1.00 30.12 O ATOM 1184 CB ASP A 82 2.096 35.616 13.539 1.00 31.39 C ATOM 1185 CG ASP A 82 1.243 34.472 13.075 1.00 33.67 C ATOM 1186 OD1 ASP A 82 1.145 34.270 11.840 1.00 37.14 O ATOM 1187 OD2 ASP A 82 0.639 33.728 13.873 1.00 37.37 O ATOM 1188 HA ASP A 82 3.576 36.968 12.756 1.00 0.00 H ATOM 1189 HB2 ASP A 82 2.589 35.333 14.469 1.00 0.00 H ATOM 1190 HB3 ASP A 82 1.457 36.481 13.717 1.00 0.00 H ATOM 1191 H ASP A 82 1.780 35.519 10.888 1.00 0.00 H ATOM 1192 N ASN A 83 5.116 34.904 11.537 1.00 26.79 N ATOM 1193 CA ASN A 83 6.273 34.021 11.569 1.00 23.84 C ATOM 1194 C ASN A 83 7.512 34.867 11.832 1.00 22.75 C ATOM 1195 O ASN A 83 7.644 35.965 11.271 1.00 21.97 O ATOM 1196 CB ASN A 83 6.424 33.256 10.242 1.00 23.25 C ATOM 1197 CG ASN A 83 5.386 32.177 10.076 1.00 21.66 C ATOM 1198 OD1 ASN A 83 5.189 31.345 10.975 1.00 17.65 O ATOM 1199 ND2 ASN A 83 4.691 32.185 8.926 1.00 19.51 N ATOM 1200 HA ASN A 83 6.143 33.282 12.360 1.00 0.00 H ATOM 1201 HB2 ASN A 83 6.328 33.963 9.418 1.00 0.00 H ATOM 1202 HB3 ASN A 83 7.413 32.798 10.213 1.00 0.00 H ATOM 1203 HD22 ASN A 83 4.893 32.903 8.202 1.00 0.00 H ATOM 1204 HD21 ASN A 83 3.951 31.473 8.760 1.00 0.00 H ATOM 1205 H ASN A 83 4.930 35.484 10.694 1.00 0.00 H ATOM 1206 N ASN A 84 8.381 34.393 12.730 1.00 20.89 N ATOM 1207 CA ASN A 84 9.683 35.030 12.915 1.00 19.36 C ATOM 1208 C ASN A 84 10.553 34.720 11.707 1.00 18.62 C ATOM 1209 O ASN A 84 10.094 34.026 10.819 1.00 17.80 O ATOM 1210 CB ASN A 84 10.322 34.679 14.256 1.00 19.52 C ATOM 1211 CG ASN A 84 10.874 33.254 14.347 1.00 19.15 C ATOM 1212 OD1 ASN A 84 11.002 32.533 13.372 1.00 19.13 O ATOM 1213 ND2 ASN A 84 11.174 32.848 15.569 1.00 19.63 N ATOM 1214 HA ASN A 84 9.559 36.112 12.968 1.00 0.00 H ATOM 1215 HB2 ASN A 84 11.143 35.374 14.434 1.00 0.00 H ATOM 1216 HB3 ASN A 84 9.569 34.802 15.034 1.00 0.00 H ATOM 1217 HD22 ASN A 84 11.051 33.493 16.376 1.00 0.00 H ATOM 1218 HD21 ASN A 84 11.533 31.884 15.723 1.00 0.00 H ATOM 1219 H ASN A 84 8.128 33.563 13.303 1.00 0.00 H ATOM 1220 N ALA A 85 11.773 35.248 11.650 1.00 17.06 N ATOM 1221 CA ALA A 85 12.641 35.048 10.497 1.00 15.95 C ATOM 1222 C ALA A 85 12.877 33.575 10.139 1.00 15.49 C ATOM 1223 O ALA A 85 12.811 33.201 8.972 1.00 14.88 O ATOM 1224 CB ALA A 85 13.978 35.773 10.691 1.00 16.51 C ATOM 1225 HA ALA A 85 12.109 35.481 9.650 1.00 0.00 H ATOM 1226 HB1 ALA A 85 13.796 36.841 10.814 1.00 0.00 H ATOM 1227 HB2 ALA A 85 14.476 35.383 11.579 1.00 0.00 H ATOM 1228 HB3 ALA A 85 14.609 35.609 9.817 1.00 0.00 H ATOM 1229 H ALA A 85 12.116 35.818 12.449 1.00 0.00 H ATOM 1230 N CYS A 86 13.155 32.747 11.136 1.00 14.57 N ATOM 1231 CA CYS A 86 13.309 31.305 10.898 1.00 14.33 C ATOM 1232 C CYS A 86 12.016 30.650 10.391 1.00 14.06 C ATOM 1233 O CYS A 86 12.026 29.958 9.377 1.00 13.59 O ATOM 1234 CB CYS A 86 13.761 30.613 12.182 1.00 14.33 C ATOM 1235 SG CYS A 86 13.820 28.811 12.096 1.00 14.51 S ATOM 1236 HA CYS A 86 14.063 31.187 10.119 1.00 0.00 H ATOM 1237 HB2 CYS A 86 13.070 30.892 12.978 1.00 0.00 H ATOM 1238 HB3 CYS A 86 14.760 30.973 12.427 1.00 0.00 H ATOM 1239 H CYS A 86 13.266 33.123 12.099 1.00 0.00 H ATOM 1240 N ALA A 87 10.908 30.875 11.091 1.00 13.78 N ATOM 1241 CA ALA A 87 9.623 30.308 10.664 1.00 14.37 C ATOM 1242 C ALA A 87 9.227 30.750 9.239 1.00 14.41 C ATOM 1243 O ALA A 87 8.782 29.932 8.430 1.00 14.35 O ATOM 1244 CB ALA A 87 8.518 30.648 11.683 1.00 14.28 C ATOM 1245 HA ALA A 87 9.742 29.225 10.629 1.00 0.00 H ATOM 1246 HB1 ALA A 87 8.783 30.234 12.656 1.00 0.00 H ATOM 1247 HB2 ALA A 87 8.419 31.731 11.762 1.00 0.00 H ATOM 1248 HB3 ALA A 87 7.573 30.219 11.349 1.00 0.00 H ATOM 1249 H ALA A 87 10.952 31.459 11.950 1.00 0.00 H ATOM 1250 N ALA A 88 9.410 32.032 8.939 1.00 14.86 N ATOM 1251 CA ALA A 88 9.056 32.576 7.633 1.00 15.04 C ATOM 1252 C ALA A 88 9.869 31.917 6.509 1.00 14.57 C ATOM 1253 O ALA A 88 9.337 31.574 5.469 1.00 14.40 O ATOM 1254 CB ALA A 88 9.280 34.071 7.623 1.00 15.46 C ATOM 1255 HA ALA A 88 8.002 32.362 7.453 1.00 0.00 H ATOM 1256 HB1 ALA A 88 8.658 34.535 8.388 1.00 0.00 H ATOM 1257 HB2 ALA A 88 10.329 34.281 7.829 1.00 0.00 H ATOM 1258 HB3 ALA A 88 9.014 34.470 6.644 1.00 0.00 H ATOM 1259 H ALA A 88 9.817 32.665 9.656 1.00 0.00 H ATOM 1260 N SER A 89 11.172 31.800 6.704 1.00 14.21 N ATOM 1261 CA SER A 89 12.042 31.170 5.699 1.00 14.83 C ATOM 1262 C SER A 89 11.659 29.715 5.448 1.00 14.21 C ATOM 1263 O SER A 89 11.575 29.265 4.304 1.00 14.02 O ATOM 1264 CB SER A 89 13.510 31.185 6.161 1.00 15.27 C ATOM 1265 OG SER A 89 14.016 32.509 6.207 1.00 21.36 O ATOM 1266 HA SER A 89 11.917 31.747 4.783 1.00 0.00 H ATOM 1267 HB2 SER A 89 14.109 30.598 5.464 1.00 0.00 H ATOM 1268 HB3 SER A 89 13.575 30.744 7.155 1.00 0.00 H ATOM 1269 HG SER A 89 13.478 33.045 6.842 1.00 0.00 H ATOM 1270 H SER A 89 11.590 32.161 7.585 1.00 0.00 H ATOM 1271 N VAL A 90 11.477 28.967 6.527 1.00 13.25 N ATOM 1272 CA VAL A 90 11.170 27.547 6.409 1.00 13.07 C ATOM 1273 C VAL A 90 9.794 27.369 5.777 1.00 12.96 C ATOM 1274 O VAL A 90 9.609 26.553 4.881 1.00 12.37 O ATOM 1275 CB VAL A 90 11.221 26.848 7.784 1.00 13.47 C ATOM 1276 CG1 VAL A 90 10.721 25.411 7.679 1.00 13.72 C ATOM 1277 CG2 VAL A 90 12.653 26.905 8.339 1.00 15.49 C ATOM 1278 HA VAL A 90 11.923 27.084 5.772 1.00 0.00 H ATOM 1279 HB VAL A 90 10.561 27.371 8.476 1.00 0.00 H ATOM 1280 HG11 VAL A 90 9.691 25.411 7.322 1.00 0.00 H ATOM 1281 HG12 VAL A 90 11.349 24.859 6.980 1.00 0.00 H ATOM 1282 HG13 VAL A 90 10.766 24.939 8.661 1.00 0.00 H ATOM 1283 HG21 VAL A 90 13.329 26.399 7.650 1.00 0.00 H ATOM 1284 HG22 VAL A 90 12.957 27.946 8.450 1.00 0.00 H ATOM 1285 HG23 VAL A 90 12.685 26.410 9.310 1.00 0.00 H ATOM 1286 H VAL A 90 11.554 29.399 7.470 1.00 0.00 H ATOM 1287 N CYS A 91 8.832 28.159 6.235 1.00 12.68 N ATOM 1288 CA CYS A 91 7.500 28.109 5.656 1.00 12.78 C ATOM 1289 C CYS A 91 7.602 28.354 4.150 1.00 12.53 C ATOM 1290 O CYS A 91 6.985 27.648 3.357 1.00 11.84 O ATOM 1291 CB CYS A 91 6.545 29.138 6.280 1.00 12.23 C ATOM 1292 SG CYS A 91 4.835 28.822 5.716 1.00 12.61 S ATOM 1293 HA CYS A 91 7.087 27.122 5.862 1.00 0.00 H ATOM 1294 HB2 CYS A 91 6.846 30.141 5.978 1.00 0.00 H ATOM 1295 HB3 CYS A 91 6.588 29.059 7.366 1.00 0.00 H ATOM 1296 H CYS A 91 9.032 28.819 7.014 1.00 0.00 H ATOM 1297 N ASP A 92 8.357 29.367 3.753 1.00 13.25 N ATOM 1298 CA ASP A 92 8.499 29.648 2.317 1.00 14.23 C ATOM 1299 C ASP A 92 9.151 28.501 1.541 1.00 13.41 C ATOM 1300 O ASP A 92 8.709 28.188 0.429 1.00 13.04 O ATOM 1301 CB ASP A 92 9.278 30.936 2.057 1.00 15.51 C ATOM 1302 CG ASP A 92 8.735 31.693 0.861 1.00 22.64 C ATOM 1303 OD1 ASP A 92 7.524 32.036 0.878 1.00 28.02 O ATOM 1304 OD2 ASP A 92 9.438 31.964 -0.147 1.00 29.20 O ATOM 1305 HA ASP A 92 7.479 29.766 1.953 1.00 0.00 H ATOM 1306 HB2 ASP A 92 9.210 31.573 2.939 1.00 0.00 H ATOM 1307 HB3 ASP A 92 10.322 30.685 1.871 1.00 0.00 H ATOM 1308 H ASP A 92 8.847 29.960 4.453 1.00 0.00 H ATOM 1309 N CYS A 93 10.218 27.921 2.085 1.00 11.76 N ATOM 1310 CA CYS A 93 10.852 26.768 1.439 1.00 11.72 C ATOM 1311 C CYS A 93 9.805 25.673 1.169 1.00 11.58 C ATOM 1312 O CYS A 93 9.702 25.143 0.045 1.00 11.22 O ATOM 1313 CB CYS A 93 11.960 26.184 2.327 1.00 11.23 C ATOM 1314 SG CYS A 93 13.384 27.240 2.660 1.00 13.23 S ATOM 1315 HA CYS A 93 11.288 27.108 0.500 1.00 0.00 H ATOM 1316 HB2 CYS A 93 12.327 25.279 1.843 1.00 0.00 H ATOM 1317 HB3 CYS A 93 11.511 25.925 3.286 1.00 0.00 H ATOM 1318 H CYS A 93 10.606 28.289 2.977 1.00 0.00 H ATOM 1319 N ASP A 94 9.037 25.317 2.200 1.00 10.94 N ATOM 1320 CA ASP A 94 8.010 24.267 2.102 1.00 11.91 C ATOM 1321 C ASP A 94 6.922 24.620 1.085 1.00 12.92 C ATOM 1322 O ASP A 94 6.490 23.790 0.254 1.00 13.04 O ATOM 1323 CB ASP A 94 7.368 24.014 3.476 1.00 11.42 C ATOM 1324 CG ASP A 94 8.294 23.246 4.411 1.00 13.23 C ATOM 1325 OD1 ASP A 94 9.425 22.935 3.962 1.00 14.17 O ATOM 1326 OD2 ASP A 94 8.011 22.913 5.595 1.00 13.62 O ATOM 1327 HA ASP A 94 8.510 23.362 1.758 1.00 0.00 H ATOM 1328 HB2 ASP A 94 7.125 24.974 3.932 1.00 0.00 H ATOM 1329 HB3 ASP A 94 6.453 23.438 3.336 1.00 0.00 H ATOM 1330 H ASP A 94 9.169 25.801 3.111 1.00 0.00 H ATOM 1331 N ARG A 95 6.451 25.853 1.191 1.00 12.54 N ATOM 1332 CA ARG A 95 5.383 26.327 0.327 1.00 14.24 C ATOM 1333 C ARG A 95 5.804 26.240 -1.122 1.00 14.24 C ATOM 1334 O ARG A 95 5.098 25.670 -1.952 1.00 14.46 O ATOM 1335 CB ARG A 95 5.060 27.775 0.668 1.00 13.87 C ATOM 1336 CG ARG A 95 3.921 28.292 -0.120 1.00 17.89 C ATOM 1337 CD ARG A 95 3.464 29.668 0.302 1.00 23.61 C ATOM 1338 NE ARG A 95 3.202 30.369 -0.925 1.00 33.04 N ATOM 1339 CZ ARG A 95 4.062 31.187 -1.491 1.00 34.40 C ATOM 1340 NH1 ARG A 95 5.201 31.476 -0.885 1.00 36.75 N ATOM 1341 NH2 ARG A 95 3.759 31.749 -2.641 1.00 36.38 N ATOM 1342 HA ARG A 95 4.502 25.703 0.481 1.00 0.00 H ATOM 1343 HB2 ARG A 95 4.813 27.840 1.728 1.00 0.00 H ATOM 1344 HB3 ARG A 95 5.937 28.389 0.463 1.00 0.00 H ATOM 1345 HG2 ARG A 95 4.218 28.334 -1.168 1.00 0.00 H ATOM 1346 HG3 ARG A 95 3.084 27.602 -0.009 1.00 0.00 H ATOM 1347 HD2 ARG A 95 4.244 30.172 0.872 1.00 0.00 H ATOM 1348 HD3 ARG A 95 2.559 29.602 0.906 1.00 0.00 H ATOM 1349 HE ARG A 95 2.283 30.221 -1.390 1.00 0.00 H ATOM 1350 HH12 ARG A 95 5.880 32.123 -1.335 1.00 0.00 H ATOM 1351 HH11 ARG A 95 5.418 31.056 0.041 1.00 0.00 H ATOM 1352 HH22 ARG A 95 4.433 32.397 -3.096 1.00 0.00 H ATOM 1353 HH21 ARG A 95 2.846 31.545 -3.095 1.00 0.00 H ATOM 1354 H ARG A 95 6.853 26.494 1.905 1.00 0.00 H ATOM 1355 N LEU A 96 6.970 26.788 -1.431 1.00 14.85 N ATOM 1356 CA LEU A 96 7.455 26.752 -2.815 1.00 15.59 C ATOM 1357 C LEU A 96 7.642 25.320 -3.329 1.00 15.80 C ATOM 1358 O LEU A 96 7.327 25.029 -4.488 1.00 15.74 O ATOM 1359 CB LEU A 96 8.738 27.574 -2.967 1.00 15.89 C ATOM 1360 CG LEU A 96 8.594 29.099 -2.794 1.00 19.55 C ATOM 1361 CD1 LEU A 96 9.948 29.806 -2.935 1.00 20.70 C ATOM 1362 CD2 LEU A 96 7.569 29.718 -3.781 1.00 20.87 C ATOM 1363 HA LEU A 96 6.685 27.208 -3.438 1.00 0.00 H ATOM 1364 HB2 LEU A 96 9.450 27.220 -2.221 1.00 0.00 H ATOM 1365 HB3 LEU A 96 9.136 27.388 -3.965 1.00 0.00 H ATOM 1366 HG LEU A 96 8.215 29.255 -1.784 1.00 0.00 H ATOM 1367 HD21 LEU A 96 7.890 29.526 -4.805 1.00 0.00 H ATOM 1368 HD22 LEU A 96 6.590 29.268 -3.616 1.00 0.00 H ATOM 1369 HD23 LEU A 96 7.509 30.793 -3.614 1.00 0.00 H ATOM 1370 HD11 LEU A 96 10.632 29.433 -2.173 1.00 0.00 H ATOM 1371 HD12 LEU A 96 10.360 29.606 -3.924 1.00 0.00 H ATOM 1372 HD13 LEU A 96 9.811 30.880 -2.808 1.00 0.00 H ATOM 1373 H LEU A 96 7.542 27.244 -0.692 1.00 0.00 H ATOM 1374 N ALA A 97 8.148 24.421 -2.486 1.00 14.86 N ATOM 1375 CA ALA A 97 8.289 23.021 -2.884 1.00 15.24 C ATOM 1376 C ALA A 97 6.917 22.358 -3.145 1.00 15.66 C ATOM 1377 O ALA A 97 6.736 21.597 -4.098 1.00 15.68 O ATOM 1378 CB ALA A 97 9.053 22.233 -1.816 1.00 14.64 C ATOM 1379 HA ALA A 97 8.854 23.005 -3.816 1.00 0.00 H ATOM 1380 HB1 ALA A 97 10.045 22.666 -1.687 1.00 0.00 H ATOM 1381 HB2 ALA A 97 8.509 22.280 -0.873 1.00 0.00 H ATOM 1382 HB3 ALA A 97 9.147 21.194 -2.131 1.00 0.00 H ATOM 1383 H ALA A 97 8.446 24.718 -1.535 1.00 0.00 H ATOM 1384 N ALA A 98 5.952 22.622 -2.278 1.00 16.23 N ATOM 1385 CA ALA A 98 4.634 22.017 -2.471 1.00 16.63 C ATOM 1386 C ALA A 98 3.995 22.448 -3.799 1.00 17.55 C ATOM 1387 O ALA A 98 3.393 21.624 -4.508 1.00 17.14 O ATOM 1388 CB ALA A 98 3.726 22.305 -1.285 1.00 17.39 C ATOM 1389 HA ALA A 98 4.771 20.937 -2.528 1.00 0.00 H ATOM 1390 HB1 ALA A 98 4.172 21.894 -0.379 1.00 0.00 H ATOM 1391 HB2 ALA A 98 3.605 23.383 -1.175 1.00 0.00 H ATOM 1392 HB3 ALA A 98 2.753 21.844 -1.454 1.00 0.00 H ATOM 1393 H ALA A 98 6.129 23.252 -1.469 1.00 0.00 H ATOM 1394 N ILE A 99 4.156 23.719 -4.150 1.00 18.08 N ATOM 1395 CA ILE A 99 3.647 24.241 -5.411 1.00 19.47 C ATOM 1396 C ILE A 99 4.416 23.623 -6.578 1.00 19.66 C ATOM 1397 O ILE A 99 3.839 23.292 -7.625 1.00 20.13 O ATOM 1398 CB ILE A 99 3.738 25.781 -5.427 1.00 19.44 C ATOM 1399 CG1 ILE A 99 2.726 26.385 -4.436 1.00 21.65 C ATOM 1400 CG2 ILE A 99 3.501 26.332 -6.832 1.00 21.83 C ATOM 1401 CD1 ILE A 99 3.046 27.865 -4.058 1.00 22.64 C ATOM 1402 HA ILE A 99 2.597 23.970 -5.517 1.00 0.00 H ATOM 1403 HB ILE A 99 4.745 26.064 -5.120 1.00 0.00 H ATOM 1404 HG12 ILE A 99 1.734 26.349 -4.887 1.00 0.00 H ATOM 1405 HG13 ILE A 99 2.732 25.785 -3.526 1.00 0.00 H ATOM 1406 HD11 ILE A 99 4.032 27.916 -3.595 1.00 0.00 H ATOM 1407 HD12 ILE A 99 3.034 28.479 -4.958 1.00 0.00 H ATOM 1408 HD13 ILE A 99 2.295 28.230 -3.357 1.00 0.00 H ATOM 1409 HG21 ILE A 99 4.254 25.931 -7.510 1.00 0.00 H ATOM 1410 HG22 ILE A 99 2.509 26.037 -7.174 1.00 0.00 H ATOM 1411 HG23 ILE A 99 3.571 27.420 -6.811 1.00 0.00 H ATOM 1412 H ILE A 99 4.660 24.360 -3.505 1.00 0.00 H ATOM 1413 N CYS A 100 5.712 23.428 -6.379 1.00 19.06 N ATOM 1414 CA CYS A 100 6.564 22.851 -7.407 1.00 19.18 C ATOM 1415 C CYS A 100 6.146 21.412 -7.692 1.00 19.28 C ATOM 1416 O CYS A 100 6.070 20.997 -8.860 1.00 19.08 O ATOM 1417 CB CYS A 100 8.035 22.919 -6.975 1.00 18.77 C ATOM 1418 SG CYS A 100 9.250 22.633 -8.288 1.00 19.28 S ATOM 1419 HA CYS A 100 6.451 23.427 -8.326 1.00 0.00 H ATOM 1420 HB2 CYS A 100 8.193 22.167 -6.202 1.00 0.00 H ATOM 1421 HB3 CYS A 100 8.217 23.910 -6.559 1.00 0.00 H ATOM 1422 H CYS A 100 6.130 23.694 -5.465 1.00 0.00 H ATOM 1423 N PHE A 101 5.872 20.665 -6.623 1.00 18.65 N ATOM 1424 CA PHE A 101 5.456 19.269 -6.715 1.00 19.35 C ATOM 1425 C PHE A 101 4.170 19.161 -7.542 1.00 19.85 C ATOM 1426 O PHE A 101 4.015 18.259 -8.366 1.00 19.53 O ATOM 1427 CB PHE A 101 5.198 18.664 -5.322 1.00 18.40 C ATOM 1428 CG PHE A 101 6.434 18.407 -4.498 1.00 18.84 C ATOM 1429 CD1 PHE A 101 7.692 18.826 -4.906 1.00 19.46 C ATOM 1430 CD2 PHE A 101 6.317 17.749 -3.287 1.00 19.16 C ATOM 1431 CE1 PHE A 101 8.793 18.582 -4.113 1.00 19.09 C ATOM 1432 CE2 PHE A 101 7.400 17.490 -2.509 1.00 20.01 C ATOM 1433 CZ PHE A 101 8.650 17.907 -2.917 1.00 20.91 C ATOM 1434 HA PHE A 101 6.264 18.716 -7.194 1.00 0.00 H ATOM 1435 HB2 PHE A 101 4.559 19.352 -4.768 1.00 0.00 H ATOM 1436 HB3 PHE A 101 4.678 17.715 -5.456 1.00 0.00 H ATOM 1437 HD2 PHE A 101 5.331 17.430 -2.948 1.00 0.00 H ATOM 1438 HE2 PHE A 101 7.282 16.955 -1.567 1.00 0.00 H ATOM 1439 HZ PHE A 101 9.523 17.704 -2.297 1.00 0.00 H ATOM 1440 HE1 PHE A 101 9.778 18.923 -4.431 1.00 0.00 H ATOM 1441 HD1 PHE A 101 7.810 19.349 -5.855 1.00 0.00 H ATOM 1442 H PHE A 101 5.958 21.096 -5.681 1.00 0.00 H ATOM 1443 N ALA A 102 3.261 20.100 -7.327 1.00 21.00 N ATOM 1444 CA ALA A 102 1.971 20.069 -8.001 1.00 21.83 C ATOM 1445 C ALA A 102 2.041 20.212 -9.522 1.00 22.73 C ATOM 1446 O ALA A 102 1.181 19.692 -10.234 1.00 23.78 O ATOM 1447 CB ALA A 102 1.023 21.109 -7.396 1.00 21.73 C ATOM 1448 HA ALA A 102 1.576 19.068 -7.829 1.00 0.00 H ATOM 1449 HB1 ALA A 102 0.875 20.892 -6.338 1.00 0.00 H ATOM 1450 HB2 ALA A 102 1.457 22.103 -7.507 1.00 0.00 H ATOM 1451 HB3 ALA A 102 0.065 21.070 -7.914 1.00 0.00 H ATOM 1452 H ALA A 102 3.473 20.873 -6.665 1.00 0.00 H ATOM 1453 N GLY A 103 3.051 20.907 -10.019 1.00 23.08 N ATOM 1454 CA GLY A 103 3.194 21.080 -11.449 1.00 24.77 C ATOM 1455 C GLY A 103 4.195 20.170 -12.133 1.00 25.58 C ATOM 1456 O GLY A 103 4.439 20.308 -13.331 1.00 25.87 O ATOM 1457 HA3 GLY A 103 3.501 22.110 -11.631 1.00 0.00 H ATOM 1458 HA2 GLY A 103 2.219 20.906 -11.905 1.00 0.00 H ATOM 1459 H GLY A 103 3.749 21.333 -9.376 1.00 0.00 H ATOM 1460 N ALA A 104 4.791 19.252 -11.381 1.00 26.09 N ATOM 1461 CA ALA A 104 5.802 18.365 -11.938 1.00 27.11 C ATOM 1462 C ALA A 104 5.282 16.956 -12.211 1.00 27.61 C ATOM 1463 O ALA A 104 4.533 16.368 -11.419 1.00 27.66 O ATOM 1464 CB ALA A 104 7.043 18.320 -11.027 1.00 27.24 C ATOM 1465 HA ALA A 104 6.081 18.782 -12.906 1.00 0.00 H ATOM 1466 HB1 ALA A 104 7.462 19.322 -10.936 1.00 0.00 H ATOM 1467 HB2 ALA A 104 6.755 17.955 -10.041 1.00 0.00 H ATOM 1468 HB3 ALA A 104 7.787 17.652 -11.461 1.00 0.00 H ATOM 1469 H ALA A 104 4.531 19.165 -10.378 1.00 0.00 H ATOM 1470 N PRO A 105 5.666 16.418 -13.356 1.00 28.36 N ATOM 1471 CA PRO A 105 5.272 15.057 -13.716 1.00 29.30 C ATOM 1472 C PRO A 105 5.884 14.054 -12.741 1.00 29.74 C ATOM 1473 O PRO A 105 7.013 14.238 -12.286 1.00 30.08 O ATOM 1474 CB PRO A 105 5.876 14.867 -15.114 1.00 29.92 C ATOM 1475 CG PRO A 105 6.271 16.215 -15.576 1.00 29.01 C ATOM 1476 CD PRO A 105 6.473 17.078 -14.391 1.00 28.65 C ATOM 1477 HA PRO A 105 4.193 14.905 -13.690 1.00 0.00 H ATOM 1478 HD3 PRO A 105 7.524 17.111 -14.106 1.00 0.00 H ATOM 1479 HD2 PRO A 105 6.116 18.091 -14.579 1.00 0.00 H ATOM 1480 HG3 PRO A 105 5.486 16.633 -16.206 1.00 0.00 H ATOM 1481 HG2 PRO A 105 7.197 16.151 -16.147 1.00 0.00 H ATOM 1482 HB2 PRO A 105 6.747 14.213 -15.065 1.00 0.00 H ATOM 1483 HB3 PRO A 105 5.138 14.436 -15.790 1.00 0.00 H ATOM 1484 N TYR A 106 5.140 13.009 -12.415 1.00 29.68 N ATOM 1485 CA TYR A 106 5.647 11.987 -11.520 1.00 29.77 C ATOM 1486 C TYR A 106 5.963 10.725 -12.320 1.00 30.24 C ATOM 1487 O TYR A 106 5.062 10.128 -12.913 1.00 30.23 O ATOM 1488 CB TYR A 106 4.628 11.684 -10.429 1.00 29.25 C ATOM 1489 CG TYR A 106 5.189 10.839 -9.323 1.00 27.93 C ATOM 1490 CD1 TYR A 106 5.375 9.471 -9.499 1.00 26.44 C ATOM 1491 CD2 TYR A 106 5.541 11.405 -8.098 1.00 26.26 C ATOM 1492 CE1 TYR A 106 5.889 8.688 -8.498 1.00 25.44 C ATOM 1493 CE2 TYR A 106 6.059 10.629 -7.077 1.00 24.51 C ATOM 1494 CZ TYR A 106 6.239 9.264 -7.289 1.00 24.76 C ATOM 1495 OH TYR A 106 6.756 8.461 -6.311 1.00 24.62 O ATOM 1496 HA TYR A 106 6.559 12.347 -11.043 1.00 0.00 H ATOM 1497 HB3 TYR A 106 3.786 11.157 -10.877 1.00 0.00 H ATOM 1498 HB2 TYR A 106 4.281 12.627 -10.005 1.00 0.00 H ATOM 1499 HD2 TYR A 106 5.406 12.475 -7.943 1.00 0.00 H ATOM 1500 HE2 TYR A 106 6.323 11.079 -6.120 1.00 0.00 H ATOM 1501 HE1 TYR A 106 6.021 7.617 -8.653 1.00 0.00 H ATOM 1502 HD1 TYR A 106 5.107 9.013 -10.451 1.00 0.00 H ATOM 1503 HH TYR A 106 7.662 8.778 -6.070 1.00 0.00 H ATOM 1504 H TYR A 106 4.180 12.920 -12.805 1.00 0.00 H ATOM 1505 N ASN A 107 7.238 10.335 -12.342 1.00 29.89 N ATOM 1506 CA ASN A 107 7.695 9.151 -13.063 1.00 30.06 C ATOM 1507 C ASN A 107 7.954 8.017 -12.081 1.00 30.11 C ATOM 1508 O ASN A 107 8.931 8.055 -11.334 1.00 28.71 O ATOM 1509 CB ASN A 107 8.971 9.478 -13.851 1.00 30.61 C ATOM 1510 CG ASN A 107 9.419 8.335 -14.777 1.00 33.26 C ATOM 1511 OD1 ASN A 107 9.092 7.157 -14.557 1.00 34.65 O ATOM 1512 ND2 ASN A 107 10.177 8.688 -15.820 1.00 35.92 N ATOM 1513 HA ASN A 107 6.922 8.838 -13.765 1.00 0.00 H ATOM 1514 HB2 ASN A 107 8.786 10.364 -14.458 1.00 0.00 H ATOM 1515 HB3 ASN A 107 9.773 9.685 -13.142 1.00 0.00 H ATOM 1516 HD22 ASN A 107 10.427 9.687 -15.967 1.00 0.00 H ATOM 1517 HD21 ASN A 107 10.516 7.964 -16.485 1.00 0.00 H ATOM 1518 H ASN A 107 7.939 10.900 -11.822 1.00 0.00 H ATOM 1519 N ASP A 108 7.073 7.010 -12.076 1.00 30.27 N ATOM 1520 CA ASP A 108 7.204 5.887 -11.142 1.00 30.60 C ATOM 1521 C ASP A 108 8.579 5.224 -11.228 1.00 29.16 C ATOM 1522 O ASP A 108 9.051 4.613 -10.275 1.00 29.65 O ATOM 1523 CB ASP A 108 6.095 4.839 -11.355 1.00 31.51 C ATOM 1524 CG ASP A 108 4.704 5.437 -11.293 1.00 34.97 C ATOM 1525 OD1 ASP A 108 4.188 5.669 -10.169 1.00 38.61 O ATOM 1526 OD2 ASP A 108 4.042 5.710 -12.324 1.00 38.56 O ATOM 1527 HA ASP A 108 7.095 6.306 -10.142 1.00 0.00 H ATOM 1528 HB2 ASP A 108 6.233 4.379 -12.333 1.00 0.00 H ATOM 1529 HB3 ASP A 108 6.182 4.077 -10.581 1.00 0.00 H ATOM 1530 H ASP A 108 6.279 7.024 -12.748 1.00 0.00 H ATOM 1531 N ALA A 109 9.233 5.356 -12.367 1.00 28.41 N ATOM 1532 CA ALA A 109 10.552 4.763 -12.528 1.00 27.71 C ATOM 1533 C ALA A 109 11.606 5.428 -11.634 1.00 27.18 C ATOM 1534 O ALA A 109 12.634 4.833 -11.327 1.00 26.96 O ATOM 1535 CB ALA A 109 10.986 4.823 -13.988 1.00 28.19 C ATOM 1536 HA ALA A 109 10.475 3.722 -12.215 1.00 0.00 H ATOM 1537 HB1 ALA A 109 10.272 4.274 -14.601 1.00 0.00 H ATOM 1538 HB2 ALA A 109 11.021 5.863 -14.313 1.00 0.00 H ATOM 1539 HB3 ALA A 109 11.975 4.375 -14.091 1.00 0.00 H ATOM 1540 H ALA A 109 8.804 5.886 -13.152 1.00 0.00 H ATOM 1541 N ASN A 110 11.338 6.654 -11.203 1.00 26.28 N ATOM 1542 CA ASN A 110 12.315 7.390 -10.413 1.00 25.30 C ATOM 1543 C ASN A 110 12.100 7.277 -8.914 1.00 24.82 C ATOM 1544 O ASN A 110 12.820 7.880 -8.115 1.00 24.29 O ATOM 1545 CB ASN A 110 12.337 8.843 -10.857 1.00 25.58 C ATOM 1546 CG ASN A 110 12.971 9.017 -12.226 1.00 25.54 C ATOM 1547 OD1 ASN A 110 12.671 9.964 -12.954 1.00 27.94 O ATOM 1548 ND2 ASN A 110 13.867 8.111 -12.570 1.00 26.95 N ATOM 1549 HA ASN A 110 13.286 6.932 -10.599 1.00 0.00 H ATOM 1550 HB2 ASN A 110 11.313 9.214 -10.895 1.00 0.00 H ATOM 1551 HB3 ASN A 110 12.906 9.423 -10.131 1.00 0.00 H ATOM 1552 HD22 ASN A 110 14.089 7.328 -11.923 1.00 0.00 H ATOM 1553 HD21 ASN A 110 14.351 8.181 -13.488 1.00 0.00 H ATOM 1554 H ASN A 110 10.423 7.093 -11.431 1.00 0.00 H ATOM 1555 N TYR A 111 11.090 6.513 -8.526 1.00 24.19 N ATOM 1556 CA TYR A 111 10.848 6.286 -7.116 1.00 23.82 C ATOM 1557 C TYR A 111 11.849 5.261 -6.592 1.00 23.56 C ATOM 1558 O TYR A 111 12.182 4.313 -7.287 1.00 23.96 O ATOM 1559 CB TYR A 111 9.421 5.776 -6.901 1.00 23.77 C ATOM 1560 CG TYR A 111 9.081 5.482 -5.463 1.00 25.73 C ATOM 1561 CD1 TYR A 111 8.883 6.509 -4.547 1.00 28.61 C ATOM 1562 CD2 TYR A 111 8.945 4.178 -5.020 1.00 28.53 C ATOM 1563 CE1 TYR A 111 8.574 6.232 -3.222 1.00 31.08 C ATOM 1564 CE2 TYR A 111 8.633 3.896 -3.718 1.00 30.03 C ATOM 1565 CZ TYR A 111 8.449 4.919 -2.818 1.00 31.84 C ATOM 1566 OH TYR A 111 8.137 4.611 -1.510 1.00 34.01 O ATOM 1567 HA TYR A 111 10.969 7.224 -6.575 1.00 0.00 H ATOM 1568 HB3 TYR A 111 9.295 4.859 -7.477 1.00 0.00 H ATOM 1569 HB2 TYR A 111 8.728 6.533 -7.269 1.00 0.00 H ATOM 1570 HD2 TYR A 111 9.090 3.358 -5.723 1.00 0.00 H ATOM 1571 HE2 TYR A 111 8.530 2.860 -3.394 1.00 0.00 H ATOM 1572 HE1 TYR A 111 8.432 7.044 -2.508 1.00 0.00 H ATOM 1573 HD1 TYR A 111 8.972 7.545 -4.873 1.00 0.00 H ATOM 1574 HH TYR A 111 8.037 5.448 -0.990 1.00 0.00 H ATOM 1575 H TYR A 111 10.469 6.075 -9.236 1.00 0.00 H ATOM 1576 N ASN A 112 12.343 5.473 -5.379 1.00 22.48 N ATOM 1577 CA ASN A 112 13.231 4.524 -4.711 1.00 23.10 C ATOM 1578 C ASN A 112 14.421 4.035 -5.555 1.00 22.00 C ATOM 1579 O ASN A 112 14.690 2.840 -5.615 1.00 22.17 O ATOM 1580 CB ASN A 112 12.402 3.329 -4.200 1.00 23.17 C ATOM 1581 CG ASN A 112 13.201 2.364 -3.328 1.00 25.46 C ATOM 1582 OD1 ASN A 112 13.005 1.159 -3.415 1.00 27.35 O ATOM 1583 ND2 ASN A 112 14.077 2.887 -2.461 1.00 26.49 N ATOM 1584 HA ASN A 112 13.687 5.068 -3.884 1.00 0.00 H ATOM 1585 HB2 ASN A 112 11.567 3.713 -3.615 1.00 0.00 H ATOM 1586 HB3 ASN A 112 12.019 2.781 -5.061 1.00 0.00 H ATOM 1587 HD22 ASN A 112 14.214 3.917 -2.418 1.00 0.00 H ATOM 1588 HD21 ASN A 112 14.620 2.263 -1.830 1.00 0.00 H ATOM 1589 H ASN A 112 12.088 6.351 -4.883 1.00 0.00 H ATOM 1590 N ILE A 113 15.147 4.960 -6.172 1.00 21.01 N ATOM 1591 CA ILE A 113 16.307 4.584 -6.974 1.00 19.84 C ATOM 1592 C ILE A 113 17.519 4.353 -6.072 1.00 19.32 C ATOM 1593 O ILE A 113 17.528 4.754 -4.904 1.00 18.04 O ATOM 1594 CB ILE A 113 16.621 5.634 -8.093 1.00 20.01 C ATOM 1595 CG1 ILE A 113 16.987 6.994 -7.498 1.00 20.86 C ATOM 1596 CG2 ILE A 113 15.461 5.799 -9.050 1.00 19.55 C ATOM 1597 CD1 ILE A 113 17.614 7.937 -8.514 1.00 22.42 C ATOM 1598 HA ILE A 113 16.068 3.651 -7.485 1.00 0.00 H ATOM 1599 HB ILE A 113 17.477 5.248 -8.647 1.00 0.00 H ATOM 1600 HG12 ILE A 113 16.082 7.457 -7.106 1.00 0.00 H ATOM 1601 HG13 ILE A 113 17.695 6.838 -6.684 1.00 0.00 H ATOM 1602 HD11 ILE A 113 18.527 7.490 -8.907 1.00 0.00 H ATOM 1603 HD12 ILE A 113 16.912 8.109 -9.330 1.00 0.00 H ATOM 1604 HD13 ILE A 113 17.851 8.885 -8.030 1.00 0.00 H ATOM 1605 HG21 ILE A 113 15.247 4.843 -9.527 1.00 0.00 H ATOM 1606 HG22 ILE A 113 14.583 6.137 -8.500 1.00 0.00 H ATOM 1607 HG23 ILE A 113 15.721 6.536 -9.810 1.00 0.00 H ATOM 1608 H ILE A 113 14.886 5.963 -6.083 1.00 0.00 H ATOM 1609 N ASP A 114 18.539 3.704 -6.631 1.00 18.89 N ATOM 1610 CA ASP A 114 19.758 3.370 -5.917 1.00 19.01 C ATOM 1611 C ASP A 114 20.690 4.566 -5.762 1.00 19.44 C ATOM 1612 O ASP A 114 21.497 4.875 -6.638 1.00 18.81 O ATOM 1613 CB ASP A 114 20.470 2.227 -6.647 1.00 19.43 C ATOM 1614 CG ASP A 114 21.578 1.629 -5.832 1.00 19.77 C ATOM 1615 OD1 ASP A 114 22.076 2.200 -4.846 1.00 22.56 O ATOM 1616 OD2 ASP A 114 22.030 0.515 -6.173 1.00 22.83 O ATOM 1617 HA ASP A 114 19.483 3.058 -4.910 1.00 0.00 H ATOM 1618 HB2 ASP A 114 19.742 1.448 -6.873 1.00 0.00 H ATOM 1619 HB3 ASP A 114 20.888 2.612 -7.577 1.00 0.00 H ATOM 1620 H ASP A 114 18.458 3.422 -7.629 1.00 0.00 H ATOM 1621 N LEU A 115 20.581 5.240 -4.630 1.00 20.76 N ATOM 1622 CA LEU A 115 21.345 6.460 -4.396 1.00 21.61 C ATOM 1623 C LEU A 115 22.859 6.310 -4.538 1.00 21.94 C ATOM 1624 O LEU A 115 23.522 7.141 -5.159 1.00 21.77 O ATOM 1625 CB LEU A 115 21.006 7.011 -3.004 1.00 22.26 C ATOM 1626 CG LEU A 115 19.499 7.178 -2.774 1.00 23.27 C ATOM 1627 CD1 LEU A 115 19.198 7.732 -1.369 1.00 27.66 C ATOM 1628 CD2 LEU A 115 18.895 8.095 -3.850 1.00 26.43 C ATOM 1629 HA LEU A 115 21.049 7.153 -5.183 1.00 0.00 H ATOM 1630 HB2 LEU A 115 21.398 6.324 -2.254 1.00 0.00 H ATOM 1631 HB3 LEU A 115 21.485 7.984 -2.889 1.00 0.00 H ATOM 1632 HG LEU A 115 19.040 6.192 -2.847 1.00 0.00 H ATOM 1633 HD21 LEU A 115 19.374 9.073 -3.803 1.00 0.00 H ATOM 1634 HD22 LEU A 115 19.059 7.656 -4.834 1.00 0.00 H ATOM 1635 HD23 LEU A 115 17.825 8.204 -3.674 1.00 0.00 H ATOM 1636 HD11 LEU A 115 19.587 7.045 -0.618 1.00 0.00 H ATOM 1637 HD12 LEU A 115 19.674 8.706 -1.254 1.00 0.00 H ATOM 1638 HD13 LEU A 115 18.120 7.836 -1.244 1.00 0.00 H ATOM 1639 H LEU A 115 19.937 4.893 -3.891 1.00 0.00 H ATOM 1640 N LYS A 116 23.403 5.250 -3.959 1.00 22.04 N ATOM 1641 CA LYS A 116 24.838 5.021 -4.018 1.00 22.12 C ATOM 1642 C LYS A 116 25.388 4.869 -5.426 1.00 21.16 C ATOM 1643 O LYS A 116 26.463 5.377 -5.717 1.00 21.31 O ATOM 1644 CB LYS A 116 25.224 3.821 -3.167 1.00 22.70 C ATOM 1645 CG LYS A 116 24.980 4.065 -1.697 1.00 26.65 C ATOM 1646 CD LYS A 116 24.976 2.773 -0.913 1.00 30.84 C ATOM 1647 CE LYS A 116 24.246 2.960 0.402 1.00 33.10 C ATOM 1648 NZ LYS A 116 24.303 1.708 1.224 1.00 35.52 N ATOM 1649 HA LYS A 116 25.296 5.924 -3.615 1.00 0.00 H ATOM 1650 HB2 LYS A 116 24.634 2.961 -3.484 1.00 0.00 H ATOM 1651 HB3 LYS A 116 26.283 3.609 -3.317 1.00 0.00 H ATOM 1652 HG2 LYS A 116 25.767 4.712 -1.310 1.00 0.00 H ATOM 1653 HG3 LYS A 116 24.015 4.556 -1.575 1.00 0.00 H ATOM 1654 HD2 LYS A 116 24.476 2.000 -1.496 1.00 0.00 H ATOM 1655 HD3 LYS A 116 26.004 2.469 -0.714 1.00 0.00 H ATOM 1656 HE2 LYS A 116 23.204 3.209 0.201 1.00 0.00 H ATOM 1657 HE3 LYS A 116 24.712 3.774 0.957 1.00 0.00 H ATOM 1658 HZ1 LYS A 116 23.856 0.929 0.699 1.00 0.00 H ATOM 1659 HZ2 LYS A 116 25.296 1.469 1.422 1.00 0.00 H ATOM 1660 HZ3 LYS A 116 23.797 1.859 2.120 1.00 0.00 H ATOM 1661 H LYS A 116 22.796 4.572 -3.455 1.00 0.00 H ATOM 1662 N ALA A 117 24.653 4.184 -6.297 1.00 20.14 N ATOM 1663 CA ALA A 117 25.088 3.946 -7.681 1.00 19.50 C ATOM 1664 C ALA A 117 24.773 5.074 -8.667 1.00 19.37 C ATOM 1665 O ALA A 117 25.454 5.236 -9.691 1.00 18.69 O ATOM 1666 CB ALA A 117 24.444 2.644 -8.207 1.00 19.14 C ATOM 1667 HA ALA A 117 26.175 3.880 -7.630 1.00 0.00 H ATOM 1668 HB1 ALA A 117 24.753 1.808 -7.580 1.00 0.00 H ATOM 1669 HB2 ALA A 117 23.359 2.740 -8.178 1.00 0.00 H ATOM 1670 HB3 ALA A 117 24.767 2.469 -9.233 1.00 0.00 H ATOM 1671 H ALA A 117 23.736 3.802 -5.988 1.00 0.00 H ATOM 1672 N ARG A 118 23.727 5.836 -8.376 1.00 19.63 N ATOM 1673 CA ARG A 118 23.201 6.766 -9.363 1.00 20.90 C ATOM 1674 C ARG A 118 23.206 8.234 -8.998 1.00 21.34 C ATOM 1675 O ARG A 118 22.898 9.062 -9.831 1.00 21.81 O ATOM 1676 CB ARG A 118 21.773 6.355 -9.705 1.00 20.94 C ATOM 1677 CG ARG A 118 21.726 4.963 -10.319 1.00 21.89 C ATOM 1678 CD ARG A 118 20.335 4.438 -10.605 1.00 24.74 C ATOM 1679 NE ARG A 118 19.664 5.194 -11.664 1.00 25.62 N ATOM 1680 CZ ARG A 118 18.395 5.026 -11.983 1.00 27.04 C ATOM 1681 NH1 ARG A 118 17.669 4.134 -11.315 1.00 26.49 N ATOM 1682 NH2 ARG A 118 17.843 5.749 -12.957 1.00 28.34 N ATOM 1683 HA ARG A 118 23.891 6.692 -10.203 1.00 0.00 H ATOM 1684 HB2 ARG A 118 21.174 6.361 -8.794 1.00 0.00 H ATOM 1685 HB3 ARG A 118 21.359 7.070 -10.416 1.00 0.00 H ATOM 1686 HG2 ARG A 118 22.278 4.988 -11.258 1.00 0.00 H ATOM 1687 HG3 ARG A 118 22.214 4.273 -9.631 1.00 0.00 H ATOM 1688 HD2 ARG A 118 19.740 4.506 -9.694 1.00 0.00 H ATOM 1689 HD3 ARG A 118 20.410 3.395 -10.912 1.00 0.00 H ATOM 1690 HE ARG A 118 20.216 5.900 -12.192 1.00 0.00 H ATOM 1691 HH12 ARG A 118 16.668 3.992 -11.557 1.00 0.00 H ATOM 1692 HH11 ARG A 118 18.103 3.578 -10.551 1.00 0.00 H ATOM 1693 HH22 ARG A 118 16.842 5.611 -13.203 1.00 0.00 H ATOM 1694 HH21 ARG A 118 18.413 6.451 -13.471 1.00 0.00 H ATOM 1695 H ARG A 118 23.281 5.768 -7.439 1.00 0.00 H ATOM 1696 N CYS A 119 23.570 8.557 -7.774 1.00 22.12 N ATOM 1697 CA CYS A 119 23.518 9.939 -7.351 1.00 23.54 C ATOM 1698 C CYS A 119 24.909 10.445 -6.985 1.00 26.26 C ATOM 1699 O CYS A 119 25.076 11.266 -6.089 1.00 26.60 O ATOM 1700 CB CYS A 119 22.503 10.093 -6.216 1.00 22.40 C ATOM 1701 SG CYS A 119 20.834 9.592 -6.739 1.00 17.85 S ATOM 1702 HA CYS A 119 23.177 10.565 -8.176 1.00 0.00 H ATOM 1703 HB2 CYS A 119 22.478 11.137 -5.903 1.00 0.00 H ATOM 1704 HB3 CYS A 119 22.813 9.470 -5.377 1.00 0.00 H ATOM 1705 H CYS A 119 23.894 7.821 -7.114 1.00 0.00 H ATOM 1706 N ASN A 120 25.902 9.945 -7.714 1.00 29.15 N ATOM 1707 CA ASN A 120 27.286 10.357 -7.512 1.00 32.15 C ATOM 1708 C ASN A 120 27.629 11.594 -8.330 1.00 32.51 C ATOM 1709 O ASN A 120 28.073 12.595 -7.768 1.00 34.29 O ATOM 1710 CB ASN A 120 28.246 9.216 -7.848 1.00 32.95 C ATOM 1711 CG ASN A 120 28.007 7.984 -6.993 1.00 36.36 C ATOM 1712 OD1 ASN A 120 27.791 8.084 -5.780 1.00 39.92 O ATOM 1713 ND2 ASN A 120 28.042 6.810 -7.623 1.00 40.33 N ATOM 1714 HA ASN A 120 27.399 10.612 -6.458 1.00 0.00 H ATOM 1715 HB2 ASN A 120 28.115 8.946 -8.896 1.00 0.00 H ATOM 1716 HB3 ASN A 120 29.268 9.560 -7.688 1.00 0.00 H ATOM 1717 HD22 ASN A 120 28.227 6.774 -8.646 1.00 0.00 H ATOM 1718 HD21 ASN A 120 27.884 5.930 -7.092 1.00 0.00 H ATOM 1719 H ASN A 120 25.686 9.241 -8.448 1.00 0.00 H TER 1720 ASN A 120 HETATM 1721 CA CA A 1 17.281 15.595 0.519 1.00 50.62 CA HETATM 1722 O HOH 2 14.849 7.557 -4.797 1.00 20.26 O HETATM 1723 O HOH 3 9.227 22.371 7.915 1.00 10.70 O HETATM 1724 O HOH 4 16.182 10.627 -2.742 1.00 20.17 O HETATM 1725 O HOH 5 16.280 5.087 -2.608 1.00 23.93 O HETATM 1726 O HOH 6 8.236 30.794 16.858 1.00 40.39 O HETATM 1727 O HOH 7 -1.314 28.304 -3.290 1.00 27.82 O HETATM 1728 O HOH 8 16.430 20.332 10.937 1.00 20.85 O HETATM 1729 O HOH 9 7.300 32.367 14.783 1.00 31.69 O HETATM 1730 O HOH 10 14.065 26.063 15.004 1.00 14.87 O HETATM 1731 O HOH 11 24.250 -0.039 -4.711 1.00 20.95 O HETATM 1732 O HOH 12 8.972 25.277 16.966 1.00 25.23 O HETATM 1733 O HOH 13 14.062 10.185 -15.148 1.00 49.36 O HETATM 1734 O HOH 14 -0.539 26.894 10.873 1.00 27.08 O HETATM 1735 O HOH 15 9.440 14.996 -13.086 1.00 25.83 O HETATM 1736 O HOH 16 18.911 19.519 3.409 1.00 47.96 O HETATM 1737 O HOH 17 12.190 24.867 16.523 1.00 20.91 O HETATM 1738 O HOH 18 7.533 26.753 -6.698 1.00 35.32 O HETATM 1739 O HOH 19 22.028 23.219 12.198 1.00 42.38 O HETATM 1740 O HOH 20 20.491 25.829 12.849 1.00 39.01 O HETATM 1741 O HOH 21 17.023 8.222 5.271 1.00 10.61 O HETATM 1742 O HOH 22 12.879 27.867 -2.728 1.00 30.87 O HETATM 1743 O HOH 23 7.087 33.178 4.692 1.00 22.31 O HETATM 1744 O HOH 24 21.554 11.731 -2.927 1.00 21.87 O HETATM 1745 O HOH 25 7.064 17.104 12.439 1.00 30.18 O HETATM 1746 O HOH 26 10.227 30.546 18.833 1.00 44.08 O HETATM 1747 O HOH 27 18.220 6.150 5.275 1.00 49.90 O HETATM 1748 O HOH 28 2.751 32.975 1.526 1.00 24.41 O HETATM 1749 O HOH 29 -0.933 11.773 1.167 1.00 53.74 O HETATM 1750 O HOH 30 8.381 19.789 15.947 1.00 30.71 O HETATM 1751 O HOH 31 -2.180 29.261 11.553 1.00 50.17 O HETATM 1752 O HOH 32 4.136 15.450 -9.028 1.00 36.85 O HETATM 1753 O HOH 33 11.124 0.220 -4.861 1.00 63.61 O HETATM 1754 O HOH 34 24.272 15.567 0.818 1.00 54.94 O HETATM 1755 O HOH 35 11.851 25.195 -1.883 1.00 21.02 O HETATM 1756 O HOH 36 11.233 23.730 -4.442 1.00 18.36 O HETATM 1757 O HOH 37 -5.352 14.838 3.522 1.00 34.02 O HETATM 1758 O HOH 38 1.347 30.786 -2.594 1.00 34.97 O HETATM 1759 O HOH 39 -3.443 12.816 0.493 1.00 48.79 O HETATM 1760 O HOH 40 27.295 15.026 -13.951 1.00 46.55 O HETATM 1761 O HOH 41 -4.629 25.502 -6.606 1.00 44.20 O HETATM 1762 O HOH 42 4.896 30.905 13.994 1.00 39.62 O HETATM 1763 O HOH 43 14.384 1.442 -8.223 1.00 32.07 O HETATM 1764 O HOH 44 19.319 15.406 2.094 1.00 50.40 O HETATM 1765 O HOH 45 9.216 37.335 9.630 1.00 34.78 O HETATM 1766 O HOH 46 8.492 33.234 18.899 1.00 40.56 O HETATM 1767 O HOH 47 20.053 22.726 10.774 1.00 40.99 O HETATM 1768 O HOH 48 21.935 24.083 14.933 1.00 71.54 O HETATM 1769 O HOH 49 -7.814 30.883 1.243 1.00 72.65 O HETATM 1770 O HOH 50 -4.391 30.368 2.241 1.00 33.19 O HETATM 1771 O HOH 51 21.053 20.843 -0.321 1.00 20.66 O HETATM 1772 O HOH 52 16.031 29.813 3.320 1.00 30.57 O HETATM 1773 O HOH 53 12.562 30.752 -0.241 1.00 58.45 O HETATM 1774 O HOH 54 25.476 1.929 4.224 1.00 43.27 O HETATM 1775 O HOH 55 26.270 8.078 -9.706 1.00 29.34 O HETATM 1776 O HOH 56 -3.183 22.699 -6.056 1.00 45.83 O HETATM 1777 O HOH 57 16.959 29.911 19.354 1.00 50.98 O HETATM 1778 O HOH 58 22.676 28.580 12.903 1.00 37.57 O HETATM 1779 O HOH 59 18.454 31.972 18.412 1.00 36.82 O HETATM 1780 O HOH 60 21.823 2.827 -2.537 1.00 51.22 O HETATM 1781 O HOH 61 19.905 24.652 16.614 1.00 46.80 O HETATM 1782 O HOH 62 -5.084 15.137 0.931 1.00 47.22 O HETATM 1783 O HOH 63 5.518 33.441 1.825 1.00 47.98 O HETATM 1784 O HOH 64 21.241 11.200 -11.387 1.00 32.19 O HETATM 1785 O HOH 65 6.629 28.980 -8.113 1.00 45.45 O HETATM 1786 O HOH 66 22.118 -0.135 1.480 1.00 56.80 O HETATM 1787 O HOH 67 5.665 34.241 6.968 1.00 28.44 O HETATM 1788 O HOH 68 28.405 12.399 -4.025 1.00 48.71 O HETATM 1789 O HOH 69 14.772 4.252 0.643 1.00 47.27 O HETATM 1790 O HOH 70 -2.744 18.516 -7.669 1.00 40.14 O HETATM 1791 O HOH 71 1.359 27.232 13.934 1.00 37.66 O HETATM 1792 O HOH 72 16.081 9.016 -0.583 1.00 43.30 O HETATM 1793 O HOH 73 17.044 6.389 -16.025 1.00 40.62 O HETATM 1794 O HOH 74 1.732 6.562 1.660 1.00 45.41 O HETATM 1795 O HOH 75 9.823 16.548 12.526 1.00 51.18 O HETATM 1796 O HOH 76 13.322 30.742 2.397 1.00 22.35 O HETATM 1797 O HOH 77 -8.202 23.133 3.810 1.00 37.37 O HETATM 1798 O HOH 78 23.812 25.337 6.387 1.00 31.27 O HETATM 1799 O HOH 79 19.611 20.281 6.094 1.00 42.59 O HETATM 1800 O HOH 80 2.537 21.293 14.401 1.00 47.52 O HETATM 1801 O HOH 81 0.559 30.547 15.255 1.00 45.24 O HETATM 1802 O HOH 82 2.390 5.436 -7.526 1.00 84.89 O HETATM 1803 O HOH 83 1.357 14.395 -9.047 1.00 41.02 O HETATM 1804 O HOH 84 -1.518 32.014 14.480 1.00 53.46 O HETATM 1805 O HOH 85 -6.583 21.189 -0.934 1.00 48.67 O HETATM 1806 O HOH 86 -0.208 14.446 -1.459 1.00 41.88 O HETATM 1807 O HOH 87 17.333 5.358 0.278 1.00 55.22 O HETATM 1808 O HOH 88 22.752 19.497 -10.161 1.00 40.40 O HETATM 1809 O HOH 89 3.062 2.430 -7.826 1.00 40.25 O HETATM 1810 O HOH 90 2.165 13.144 -13.021 1.00 51.33 O HETATM 1811 O HOH 91 17.546 22.778 -10.078 1.00 42.81 O HETATM 1812 O HOH 92 -3.916 16.737 -10.275 1.00 54.26 O HETATM 1813 O HOH 93 28.544 4.224 -6.703 1.00 82.20 O HETATM 1814 O HOH 94 17.159 17.718 3.487 1.00 50.67 O HETATM 1815 O HOH 95 11.259 2.619 -9.279 1.00 49.62 O HETATM 1816 O HOH 96 11.461 37.310 7.546 1.00 46.93 O HETATM 1817 O HOH 97 20.526 32.508 4.625 1.00 57.47 O HETATM 1818 O HOH 98 24.955 30.757 11.767 1.00 44.47 O HETATM 1819 O HOH 99 21.925 27.151 15.332 1.00 42.35 O HETATM 1820 O HOH 100 -1.167 34.237 16.024 1.00 56.20 O HETATM 1821 O HOH 101 11.026 15.987 -15.978 1.00 37.61 O HETATM 1822 O HOH 102 5.359 6.760 -14.347 1.00 51.57 O HETATM 1823 O HOH 103 24.373 25.681 9.153 1.00 45.34 O HETATM 1824 O HOH 104 25.740 16.733 -11.658 1.00 52.19 O HETATM 1825 O HOH 105 17.621 19.850 8.213 1.00 45.23 O HETATM 1826 O HOH 106 12.882 17.352 3.333 1.00 48.85 O HETATM 1827 N VAL A 107 19.526 13.838 7.096 1.00 0.24 N HETATM 1828 CA VAL A 107 18.734 12.928 6.223 1.00 0.07 C HETATM 1829 C VAL A 107 17.555 12.286 7.013 1.00 0.23 C HETATM 1830 O VAL A 107 17.764 11.379 7.825 1.00 -0.39 O HETATM 1831 N VAL A 107 16.335 12.818 6.819 1.00 -0.26 N HETATM 1832 CA VAL A 107 15.089 12.220 7.380 1.00 0.13 C HETATM 1833 C VAL A 107 13.864 11.912 6.429 1.00 0.20 C HETATM 1834 O VAL A 107 13.768 10.748 6.167 1.00 -0.39 O HETATM 1835 N VAL A 107 13.207 12.906 5.800 1.00 -0.26 N HETATM 1836 CA VAL A 107 12.030 12.653 4.899 1.00 0.14 C HETATM 1837 C VAL A 107 11.562 13.828 4.017 1.00 0.21 C HETATM 1838 O VAL A 107 12.147 14.918 3.979 1.00 -0.39 O HETATM 1839 N VAL A 107 10.368 13.579 3.452 1.00 -0.26 N HETATM 1840 CA VAL A 107 9.552 14.505 2.658 1.00 0.13 C HETATM 1841 C VAL A 107 8.063 14.199 2.734 1.00 0.20 C HETATM 1842 O VAL A 107 7.611 13.287 3.420 1.00 -0.39 O HETATM 1843 N VAL A 107 7.347 14.950 1.903 1.00 -0.27 N HETATM 1844 CA VAL A 107 5.908 14.864 1.619 1.00 0.12 C HETATM 1845 C VAL A 107 4.925 14.166 2.552 1.00 0.06 C HETATM 1846 O VAL A 107 4.816 14.701 3.654 1.00 -0.57 O HETATM 1847 O1 VAL A 107 4.282 13.133 2.224 1.00 -0.57 O HETATM 1848 CB VAL A 107 5.695 14.305 0.214 1.00 0.08 C HETATM 1849 OG VAL A 107 4.321 14.364 -0.133 1.00 -0.39 O HETATM 1850 H43 VAL A 107 3.817 13.850 0.487 1.00 0.21 H HETATM 1851 H41 VAL A 107 6.033 13.259 0.184 1.00 0.06 H HETATM 1852 H42 VAL A 107 6.277 14.899 -0.506 1.00 0.06 H HETATM 1853 H40 VAL A 107 5.575 15.912 1.604 1.00 0.07 H HETATM 1854 H39 VAL A 107 7.849 15.661 1.411 1.00 0.19 H HETATM 1855 CB VAL A 107 9.815 14.311 1.181 1.00 -0.01 C HETATM 1856 CG VAL A 107 10.048 15.561 0.450 1.00 -0.02 C HETATM 1857 CD VAL A 107 11.469 15.830 0.569 1.00 0.06 C HETATM 1858 NE VAL A 107 11.938 17.050 -0.029 1.00 -0.27 N HETATM 1859 CZ VAL A 107 13.203 17.381 0.050 1.00 0.29 C HETATM 1860 NH1 VAL A 107 14.024 16.558 0.693 1.00 -0.28 N HETATM 1861 H35 VAL A 107 15.025 16.788 0.774 1.00 0.26 H HETATM 1862 H36 VAL A 107 13.660 15.690 1.111 1.00 0.26 H HETATM 1863 NH2 VAL A 107 13.651 18.499 -0.488 1.00 -0.28 N HETATM 1864 H37 VAL A 107 13.003 19.128 -0.984 1.00 0.26 H HETATM 1865 H38 VAL A 107 14.649 18.743 -0.412 1.00 0.26 H HETATM 1866 H34 VAL A 107 11.277 17.667 -0.522 1.00 0.26 H HETATM 1867 H32 VAL A 107 12.009 14.996 0.097 1.00 0.07 H HETATM 1868 H33 VAL A 107 11.715 15.866 1.641 1.00 0.07 H HETATM 1869 H30 VAL A 107 9.465 16.380 0.896 1.00 0.03 H HETATM 1870 H31 VAL A 107 9.768 15.444 -0.607 1.00 0.03 H HETATM 1871 H28 VAL A 107 8.944 13.807 0.737 1.00 0.03 H HETATM 1872 H29 VAL A 107 10.704 13.673 1.068 1.00 0.03 H HETATM 1873 H27 VAL A 107 9.761 15.537 2.975 1.00 0.08 H HETATM 1874 H26 VAL A 107 9.995 12.661 3.588 1.00 0.19 H HETATM 1875 CB VAL A 107 10.693 12.552 5.641 1.00 0.02 C HETATM 1876 CG VAL A 107 10.428 11.326 6.465 1.00 -0.04 C HETATM 1877 CD1 VAL A 107 11.406 10.569 7.085 1.00 -0.06 C HETATM 1878 CE1 VAL A 107 11.031 9.485 7.898 1.00 -0.07 C HETATM 1879 CZ VAL A 107 9.684 9.195 8.102 1.00 -0.07 C HETATM 1880 CE2 VAL A 107 8.724 9.971 7.507 1.00 -0.07 C HETATM 1881 CD2 VAL A 107 9.096 11.022 6.713 1.00 -0.06 C HETATM 1882 H22 VAL A 107 8.325 11.637 6.263 1.00 0.06 H HETATM 1883 H24 VAL A 107 7.674 9.753 7.665 1.00 0.06 H HETATM 1884 H25 VAL A 107 9.396 8.359 8.729 1.00 0.06 H HETATM 1885 H23 VAL A 107 11.793 8.873 8.368 1.00 0.06 H HETATM 1886 H21 VAL A 107 12.454 10.810 6.945 1.00 0.06 H HETATM 1887 H19 VAL A 107 9.896 12.616 4.886 1.00 0.05 H HETATM 1888 H20 VAL A 107 10.629 13.418 6.316 1.00 0.05 H HETATM 1889 H18 VAL A 107 12.247 11.756 4.301 1.00 0.08 H HETATM 1890 H17 VAL A 107 13.514 13.848 5.938 1.00 0.19 H HETATM 1891 CB VAL A 107 14.637 12.938 8.663 1.00 -0.02 C HETATM 1892 H14 VAL A 107 13.718 12.467 9.042 1.00 0.03 H HETATM 1893 H15 VAL A 107 14.441 13.997 8.441 1.00 0.03 H HETATM 1894 H16 VAL A 107 15.428 12.863 9.423 1.00 0.03 H HETATM 1895 H13 VAL A 107 15.413 11.222 7.711 1.00 0.08 H HETATM 1896 H12 VAL A 107 16.260 13.653 6.274 1.00 0.19 H HETATM 1897 CB VAL A 107 19.678 11.911 5.458 1.00 0.01 C HETATM 1898 CG1 VAL A 107 21.039 12.530 5.181 1.00 -0.06 C HETATM 1899 H6 VAL A 107 21.671 11.803 4.650 1.00 0.02 H HETATM 1900 H7 VAL A 107 21.517 12.806 6.133 1.00 0.02 H HETATM 1901 H8 VAL A 107 20.913 13.429 4.560 1.00 0.02 H HETATM 1902 CG2 VAL A 107 19.872 10.628 6.207 1.00 -0.06 C HETATM 1903 H9 VAL A 107 18.892 10.172 6.412 1.00 0.02 H HETATM 1904 H10 VAL A 107 20.388 10.832 7.157 1.00 0.02 H HETATM 1905 H11 VAL A 107 20.478 9.938 5.602 1.00 0.02 H HETATM 1906 H5 VAL A 107 19.202 11.675 4.495 1.00 0.04 H HETATM 1907 H4 VAL A 107 18.272 13.554 5.446 1.00 0.11 H HETATM 1908 H1 VAL A 107 18.904 14.474 7.571 1.00 0.20 H HETATM 1909 H2 VAL A 107 20.177 14.363 6.532 1.00 0.20 H HETATM 1910 H3 VAL A 107 20.033 13.294 7.776 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 1701 CONECT 435 434 639 CONECT 450 449 1721 CONECT 472 471 1721 CONECT 629 628 1418 CONECT 639 435 638 CONECT 698 696 1721 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 1701 404 1700 CONECT 1721 450 472 698 CONECT 1827 1828 1908 1909 1910 CONECT 1828 1827 1829 1897 1907 CONECT 1829 1828 1830 1831 CONECT 1830 1829 CONECT 1831 1829 1832 1896 CONECT 1832 1831 1833 1891 1895 CONECT 1833 1832 1834 1835 CONECT 1834 1833 CONECT 1835 1833 1836 1890 CONECT 1836 1835 1837 1875 1889 CONECT 1837 1836 1838 1839 CONECT 1838 1837 CONECT 1839 1837 1840 1874 CONECT 1840 1839 1841 1855 1873 CONECT 1841 1840 1842 1843 CONECT 1842 1841 CONECT 1843 1841 1844 1854 CONECT 1844 1843 1845 1848 1853 CONECT 1845 1844 1846 1847 CONECT 1846 1845 CONECT 1847 1845 CONECT 1848 1844 1849 1851 1852 CONECT 1849 1848 1850 CONECT 1850 1849 CONECT 1851 1848 CONECT 1852 1848 CONECT 1853 1844 CONECT 1854 1843 CONECT 1855 1840 1856 1871 1872 CONECT 1856 1855 1857 1869 1870 CONECT 1857 1856 1858 1867 1868 CONECT 1858 1857 1859 1866 CONECT 1859 1858 1860 1863 CONECT 1860 1859 1861 1862 CONECT 1861 1860 CONECT 1862 1860 CONECT 1863 1859 1864 1865 CONECT 1864 1863 CONECT 1865 1863 CONECT 1866 1858 CONECT 1867 1857 CONECT 1868 1857 CONECT 1869 1856 CONECT 1870 1856 CONECT 1871 1855 CONECT 1872 1855 CONECT 1873 1840 CONECT 1874 1839 CONECT 1875 1836 1876 1887 1888 CONECT 1876 1875 1877 1881 CONECT 1877 1876 1878 1886 CONECT 1878 1877 1879 1885 CONECT 1879 1878 1880 1884 CONECT 1880 1879 1881 1883 CONECT 1881 1876 1880 1882 CONECT 1882 1881 CONECT 1883 1880 CONECT 1884 1879 CONECT 1885 1878 CONECT 1886 1877 CONECT 1887 1875 CONECT 1888 1875 CONECT 1889 1836 CONECT 1890 1835 CONECT 1891 1832 1892 1893 1894 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1891 CONECT 1895 1832 CONECT 1896 1831 CONECT 1897 1828 1898 1902 1906 CONECT 1898 1897 1899 1900 1901 CONECT 1899 1898 CONECT 1900 1898 CONECT 1901 1898 CONECT 1902 1897 1903 1904 1905 CONECT 1903 1902 CONECT 1904 1902 CONECT 1905 1902 CONECT 1906 1897 CONECT 1907 1828 CONECT 1908 1827 CONECT 1909 1827 CONECT 1910 1827 MASTER 0 0 0 0 0 0 0 0 1909 1 106 10 END
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Related entries of code: 1mf4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1oxr
RCSB PDB
PDBbind
119aa, >1OXR_1|Chain... at 98%
1t37
RCSB PDB
PDBbind
119aa, >1T37_1|Chain... at 99%
1td7
RCSB PDB
PDBbind
119aa, >1TD7_1|Chain... at 98%
1zm6
RCSB PDB
PDBbind
119aa, >1ZM6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
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
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
1t37
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
1mf4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phospholipase a2
Ligand Name
5-mer
EC.Number
E.C.3.1.1.4
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=10.2nM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v42 pp. 11701-6, 2003
Ligand Properties
Formula
C
2
6
H
4
4
N
8
O
7
Molecular Weight
580.677
Exact Mass
580.333
No. of atoms
85
No. of bonds
85
Polar Surface Area
267.58
LOGP Value
-0.72 (
Computed with XLOGP3
)
-2.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)[NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C26H42N8O7/c1-14(2)20(27)24(39)31-15(3)21(36)33-18(12-16-8-5-4-6-9-16)23(38)32-17(10-7-11-30-26(28)29)22(37)34-19(13-35)25(40)41/h4-6,8-9,14-15,17-20,35H,7,10-13,27H2,1-3H3,(H,31,39)(H,32,38)(H,33,36)(H,34,37)(H,40,41)(H4,28,29,30)/p+2/t15-,17-,18-,19-,20-/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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