Browse entries in the PDBbind-CN Database
HEADER 4R4C_COMPLEX COMPND 4R4C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 264 57 ATOM 1 N GLY A -2 1.769 4.326 -8.424 1.00 33.39 N ATOM 2 CA GLY A -2 0.808 3.747 -9.409 1.00 32.63 C ATOM 3 C GLY A -2 -0.214 2.842 -8.750 1.00 33.04 C ATOM 4 O GLY A -2 -0.351 2.832 -7.527 1.00 34.05 O ATOM 5 HN3 GLY A -2 2.280 3.556 -7.946 1.00 0.00 H ATOM 6 HN2 GLY A -2 1.247 4.887 -7.721 1.00 0.00 H ATOM 7 HN1 GLY A -2 2.448 4.937 -8.922 1.00 0.00 H ATOM 8 N SER A -1 -0.937 2.089 -9.575 1.00 32.44 N ATOM 9 CA SER A -1 -1.928 1.120 -9.112 1.00 32.13 C ATOM 10 C SER A -1 -1.435 0.279 -7.936 1.00 29.83 C ATOM 11 O SER A -1 -0.231 0.059 -7.782 1.00 28.29 O ATOM 12 CB SER A -1 -2.332 0.197 -10.264 1.00 31.62 C ATOM 13 H SER A -1 -0.790 2.195 -10.599 1.00 0.00 H ATOM 14 N HIS A 0 -2.377 -0.181 -7.114 1.00 30.91 N ATOM 15 CA HIS A 0 -2.065 -0.976 -5.927 1.00 27.84 C ATOM 16 C HIS A 0 -1.173 -0.149 -4.994 1.00 21.04 C ATOM 17 O HIS A 0 -0.036 -0.506 -4.707 1.00 19.23 O ATOM 18 CB HIS A 0 -1.411 -2.300 -6.352 1.00 31.56 C ATOM 19 CG HIS A 0 -0.946 -3.156 -5.215 1.00 34.92 C ATOM 20 ND1 HIS A 0 -1.783 -3.579 -4.204 1.00 37.03 N ATOM 21 CD2 HIS A 0 0.271 -3.680 -4.938 1.00 34.33 C ATOM 22 CE1 HIS A 0 -1.100 -4.321 -3.352 1.00 36.22 C ATOM 23 NE2 HIS A 0 0.150 -4.398 -3.774 1.00 35.27 N ATOM 24 H HIS A 0 -3.373 0.034 -7.325 1.00 0.00 H ATOM 25 N MET A 1 -1.709 0.972 -4.523 1.00 17.52 N ATOM 26 CA MET A 1 -0.898 1.966 -3.829 1.00 15.15 C ATOM 27 C MET A 1 -0.261 1.446 -2.550 1.00 13.67 C ATOM 28 O MET A 1 0.845 1.850 -2.208 1.00 13.31 O ATOM 29 CB MET A 1 -1.717 3.224 -3.535 1.00 14.23 C ATOM 30 CG MET A 1 -2.087 3.991 -4.791 1.00 17.03 C ATOM 31 SD MET A 1 -2.684 5.654 -4.463 1.00 18.39 S ATOM 32 CE MET A 1 -4.291 5.296 -3.770 1.00 19.07 C ATOM 33 H MET A 1 -2.727 1.144 -4.652 1.00 0.00 H ATOM 34 N VAL A 2 -0.941 0.549 -1.845 1.00 13.48 N ATOM 35 CA VAL A 2 -0.405 0.046 -0.586 1.00 14.81 C ATOM 36 C VAL A 2 0.872 -0.770 -0.822 1.00 12.54 C ATOM 37 O VAL A 2 1.683 -0.944 0.086 1.00 13.39 O ATOM 38 CB VAL A 2 -1.456 -0.776 0.197 1.00 17.63 C ATOM 39 CG1 VAL A 2 -1.660 -2.158 -0.422 1.00 16.51 C ATOM 40 CG2 VAL A 2 -1.059 -0.885 1.661 1.00 21.02 C ATOM 41 H VAL A 2 -1.859 0.204 -2.192 1.00 0.00 H ATOM 42 N GLY A 3 1.052 -1.245 -2.051 1.00 11.87 N ATOM 43 CA GLY A 3 2.266 -1.940 -2.431 1.00 11.81 C ATOM 44 C GLY A 3 3.495 -1.050 -2.435 1.00 12.54 C ATOM 45 O GLY A 3 4.613 -1.547 -2.539 1.00 13.88 O ATOM 46 H GLY A 3 0.301 -1.114 -2.759 1.00 0.00 H ATOM 47 N GLN A 4 3.293 0.262 -2.323 1.00 12.40 N ATOM 48 CA GLN A 4 4.400 1.210 -2.260 1.00 11.94 C ATOM 49 C GLN A 4 4.942 1.370 -0.835 1.00 11.69 C ATOM 50 O GLN A 4 5.988 1.990 -0.638 1.00 12.62 O ATOM 51 CB GLN A 4 3.951 2.577 -2.792 1.00 16.18 C ATOM 52 CG GLN A 4 3.457 2.560 -4.232 1.00 20.25 C ATOM 53 CD GLN A 4 4.569 2.337 -5.245 1.00 24.34 C ATOM 54 OE1 GLN A 4 5.611 2.990 -5.197 1.00 24.12 O ATOM 55 NE2 GLN A 4 4.344 1.418 -6.177 1.00 28.94 N ATOM 56 HE22 GLN A 4 3.449 0.889 -6.180 1.00 0.00 H ATOM 57 HE21 GLN A 4 5.063 1.227 -6.904 1.00 0.00 H ATOM 58 H GLN A 4 2.318 0.621 -2.279 1.00 0.00 H ATOM 59 N LEU A 5 4.235 0.816 0.151 1.00 10.58 N ATOM 60 CA LEU A 5 4.611 0.966 1.560 1.00 10.66 C ATOM 61 C LEU A 5 5.092 -0.354 2.153 1.00 10.72 C ATOM 62 O LEU A 5 4.663 -1.428 1.735 1.00 11.41 O ATOM 63 CB LEU A 5 3.428 1.483 2.385 1.00 10.52 C ATOM 64 CG LEU A 5 2.771 2.783 1.917 1.00 10.70 C ATOM 65 CD1 LEU A 5 1.657 3.184 2.877 1.00 11.66 C ATOM 66 CD2 LEU A 5 3.791 3.905 1.776 1.00 11.15 C ATOM 67 H LEU A 5 3.389 0.259 -0.088 1.00 0.00 H ATOM 68 N SER A 6 5.977 -0.261 3.140 1.00 10.45 N ATOM 69 CA SER A 6 6.557 -1.436 3.779 1.00 10.39 C ATOM 70 C SER A 6 5.602 -2.096 4.770 1.00 11.68 C ATOM 71 O SER A 6 5.793 -2.012 5.986 1.00 11.53 O ATOM 72 CB SER A 6 7.847 -1.047 4.496 1.00 10.58 C ATOM 73 OG SER A 6 8.861 -0.729 3.566 1.00 11.16 O ATOM 74 HG SER A 6 9.687 -0.480 4.052 1.00 0.00 H ATOM 75 H SER A 6 6.266 0.683 3.468 1.00 0.00 H ATOM 76 N ARG A 7 4.578 -2.758 4.242 1.00 10.96 N ATOM 77 CA ARG A 7 3.571 -3.406 5.072 1.00 11.09 C ATOM 78 C ARG A 7 4.230 -4.370 6.044 1.00 12.16 C ATOM 79 O ARG A 7 4.990 -5.243 5.635 1.00 13.19 O ATOM 80 CB ARG A 7 2.561 -4.150 4.199 1.00 11.56 C ATOM 81 CG ARG A 7 1.616 -3.240 3.437 1.00 12.51 C ATOM 82 CD ARG A 7 0.680 -4.034 2.540 1.00 13.83 C ATOM 83 NE ARG A 7 1.357 -4.506 1.338 1.00 15.42 N ATOM 84 CZ ARG A 7 0.774 -5.208 0.371 1.00 17.39 C ATOM 85 NH1 ARG A 7 -0.506 -5.539 0.460 1.00 18.20 N ATOM 86 NH2 ARG A 7 1.476 -5.581 -0.690 1.00 18.27 N ATOM 87 HE ARG A 7 2.366 -4.278 1.230 1.00 0.00 H ATOM 88 HH12 ARG A 7 -0.955 -6.088 -0.300 1.00 0.00 H ATOM 89 HH11 ARG A 7 -1.061 -5.250 1.290 1.00 0.00 H ATOM 90 HH22 ARG A 7 1.022 -6.130 -1.447 1.00 0.00 H ATOM 91 HH21 ARG A 7 2.481 -5.324 -0.765 1.00 0.00 H ATOM 92 H ARG A 7 4.493 -2.815 3.207 1.00 0.00 H ATOM 93 N GLY A 8 3.949 -4.182 7.333 1.00 12.67 N ATOM 94 CA GLY A 8 4.502 -5.023 8.380 1.00 13.60 C ATOM 95 C GLY A 8 5.686 -4.414 9.111 1.00 13.18 C ATOM 96 O GLY A 8 6.139 -4.949 10.122 1.00 15.65 O ATOM 97 H GLY A 8 3.311 -3.405 7.599 1.00 0.00 H ATOM 98 N ALA A 9 6.188 -3.288 8.615 1.00 11.54 N ATOM 99 CA ALA A 9 7.354 -2.656 9.220 1.00 12.26 C ATOM 100 C ALA A 9 7.066 -2.128 10.622 1.00 13.62 C ATOM 101 O ALA A 9 7.925 -2.184 11.494 1.00 14.71 O ATOM 102 CB ALA A 9 7.862 -1.535 8.338 1.00 12.97 C ATOM 103 H ALA A 9 5.742 -2.851 7.783 1.00 0.00 H ATOM 104 N ILE A 10 5.866 -1.606 10.840 1.00 12.92 N ATOM 105 CA ILE A 10 5.528 -1.080 12.157 1.00 14.71 C ATOM 106 C ILE A 10 5.582 -2.185 13.210 1.00 15.13 C ATOM 107 O ILE A 10 6.205 -2.014 14.254 1.00 16.01 O ATOM 108 CB ILE A 10 4.171 -0.351 12.144 1.00 14.47 C ATOM 109 CG1 ILE A 10 4.366 1.019 11.494 1.00 15.20 C ATOM 110 CG2 ILE A 10 3.614 -0.183 13.562 1.00 16.22 C ATOM 111 CD1 ILE A 10 3.097 1.731 11.153 1.00 15.96 C ATOM 112 H ILE A 10 5.166 -1.572 10.071 1.00 0.00 H ATOM 113 N ALA A 11 4.958 -3.324 12.927 1.00 15.06 N ATOM 114 CA ALA A 11 5.025 -4.456 13.841 1.00 18.85 C ATOM 115 C ALA A 11 6.472 -4.906 14.047 1.00 20.95 C ATOM 116 O ALA A 11 6.865 -5.240 15.161 1.00 23.33 O ATOM 117 CB ALA A 11 4.182 -5.605 13.325 1.00 19.66 C ATOM 118 H ALA A 11 4.416 -3.408 12.043 1.00 0.00 H ATOM 119 N ALA A 12 7.260 -4.908 12.974 1.00 19.09 N ATOM 120 CA ALA A 12 8.653 -5.338 13.047 1.00 20.42 C ATOM 121 C ALA A 12 9.448 -4.429 13.978 1.00 21.89 C ATOM 122 O ALA A 12 10.280 -4.894 14.752 1.00 25.49 O ATOM 123 CB ALA A 12 9.275 -5.350 11.661 1.00 19.80 C ATOM 124 H ALA A 12 6.873 -4.595 12.061 1.00 0.00 H ATOM 125 N ILE A 13 9.190 -3.129 13.897 1.00 20.22 N ATOM 126 CA ILE A 13 9.880 -2.167 14.749 1.00 20.91 C ATOM 127 C ILE A 13 9.477 -2.353 16.208 1.00 23.23 C ATOM 128 O ILE A 13 10.332 -2.410 17.092 1.00 25.78 O ATOM 129 CB ILE A 13 9.591 -0.715 14.303 1.00 20.08 C ATOM 130 CG1 ILE A 13 10.249 -0.445 12.946 1.00 21.55 C ATOM 131 CG2 ILE A 13 10.106 0.293 15.335 1.00 20.58 C ATOM 132 CD1 ILE A 13 9.793 0.838 12.281 1.00 22.06 C ATOM 133 H ILE A 13 8.483 -2.791 13.214 1.00 0.00 H ATOM 134 N MET A 14 8.176 -2.463 16.454 1.00 22.14 N ATOM 135 CA MET A 14 7.661 -2.476 17.820 1.00 25.45 C ATOM 136 C MET A 14 7.698 -3.870 18.472 1.00 28.75 C ATOM 137 O MET A 14 7.813 -3.970 19.693 1.00 31.49 O ATOM 138 CB MET A 14 6.240 -1.899 17.854 1.00 22.57 C ATOM 139 CG MET A 14 6.115 -0.480 17.274 1.00 23.24 C ATOM 140 SD MET A 14 6.877 0.837 18.261 1.00 27.65 S ATOM 141 CE MET A 14 5.677 0.995 19.577 1.00 28.03 C ATOM 142 H MET A 14 7.511 -2.541 15.658 1.00 0.00 H ATOM 143 N GLN A 15 7.607 -4.937 17.675 1.00 29.96 N ATOM 144 CA GLN A 15 7.648 -6.304 18.218 1.00 32.06 C ATOM 145 C GLN A 15 9.063 -6.876 18.243 1.00 32.79 C ATOM 146 O GLN A 15 9.575 -7.245 19.302 1.00 34.70 O ATOM 147 CB GLN A 15 6.751 -7.255 17.413 1.00 34.89 C ATOM 148 CG GLN A 15 5.267 -6.949 17.497 1.00 36.18 C ATOM 149 CD GLN A 15 4.439 -7.750 16.505 1.00 38.22 C ATOM 150 OE1 GLN A 15 4.934 -8.682 15.871 1.00 40.59 O ATOM 151 NE2 GLN A 15 3.169 -7.384 16.364 1.00 38.06 N ATOM 152 HE22 GLN A 15 2.792 -6.590 16.920 1.00 0.00 H ATOM 153 HE21 GLN A 15 2.553 -7.891 15.698 1.00 0.00 H ATOM 154 H GLN A 15 7.505 -4.799 16.649 1.00 0.00 H ATOM 155 N LYS A 16 9.681 -6.964 17.068 1.00 31.42 N ATOM 156 CA LYS A 16 10.976 -7.627 16.927 1.00 32.09 C ATOM 157 C LYS A 16 12.135 -6.770 17.418 1.00 30.83 C ATOM 158 O LYS A 16 13.175 -7.293 17.818 1.00 30.82 O ATOM 159 CB LYS A 16 11.226 -8.007 15.465 1.00 35.12 C ATOM 160 CG LYS A 16 10.561 -9.302 15.025 1.00 38.08 C ATOM 161 CD LYS A 16 11.035 -9.732 13.640 1.00 40.02 C ATOM 162 CE LYS A 16 10.795 -8.650 12.595 1.00 41.44 C ATOM 163 NZ LYS A 16 11.034 -9.135 11.208 1.00 41.69 N ATOM 164 HZ1 LYS A 16 12.020 -9.455 11.119 1.00 0.00 H ATOM 165 HZ2 LYS A 16 10.392 -9.927 11.003 1.00 0.00 H ATOM 166 HZ3 LYS A 16 10.857 -8.361 10.536 1.00 0.00 H ATOM 167 H LYS A 16 9.230 -6.550 16.227 1.00 0.00 H ATOM 168 N GLY A 17 11.961 -5.454 17.380 1.00 30.92 N ATOM 169 CA GLY A 17 13.045 -4.548 17.707 1.00 31.57 C ATOM 170 C GLY A 17 14.036 -4.497 16.563 1.00 29.59 C ATOM 171 O GLY A 17 15.243 -4.386 16.771 1.00 31.29 O ATOM 172 H GLY A 17 11.034 -5.067 17.112 1.00 0.00 H ATOM 173 N ASP A 18 13.510 -4.592 15.347 1.00 28.09 N ATOM 174 CA ASP A 18 14.319 -4.526 14.140 1.00 27.66 C ATOM 175 C ASP A 18 14.670 -3.071 13.847 1.00 29.19 C ATOM 176 O ASP A 18 13.778 -2.236 13.704 1.00 29.20 O ATOM 177 CB ASP A 18 13.535 -5.127 12.968 1.00 26.39 C ATOM 178 CG ASP A 18 14.396 -5.371 11.742 1.00 25.19 C ATOM 179 OD1 ASP A 18 15.339 -4.591 11.500 1.00 23.67 O ATOM 180 OD2 ASP A 18 14.122 -6.348 11.014 1.00 26.51 O ATOM 181 H ASP A 18 12.482 -4.718 15.255 1.00 0.00 H ATOM 182 N THR A 19 15.968 -2.774 13.766 1.00 28.43 N ATOM 183 CA THR A 19 16.434 -1.418 13.472 1.00 30.34 C ATOM 184 C THR A 19 17.318 -1.355 12.231 1.00 29.24 C ATOM 185 O THR A 19 17.833 -0.291 11.884 1.00 29.81 O ATOM 186 CB THR A 19 17.215 -0.812 14.650 1.00 32.37 C ATOM 187 OG1 THR A 19 18.319 -1.661 14.984 1.00 34.09 O ATOM 188 CG2 THR A 19 16.316 -0.643 15.865 1.00 33.64 C ATOM 189 HG1 THR A 19 18.819 -1.267 15.742 1.00 0.00 H ATOM 190 H THR A 19 16.669 -3.528 13.916 1.00 0.00 H ATOM 191 N ASN A 20 17.488 -2.491 11.563 1.00 27.56 N ATOM 192 CA ASN A 20 18.291 -2.548 10.346 1.00 26.18 C ATOM 193 C ASN A 20 17.463 -2.241 9.103 1.00 21.98 C ATOM 194 O ASN A 20 17.997 -1.797 8.087 1.00 21.44 O ATOM 195 CB ASN A 20 18.946 -3.924 10.208 1.00 27.97 C ATOM 196 CG ASN A 20 20.012 -4.170 11.258 1.00 28.97 C ATOM 197 OD1 ASN A 20 20.690 -3.242 11.701 1.00 29.50 O ATOM 198 ND2 ASN A 20 20.165 -5.426 11.664 1.00 28.65 N ATOM 199 HD22 ASN A 20 19.570 -6.178 11.262 1.00 0.00 H ATOM 200 HD21 ASN A 20 20.880 -5.657 12.383 1.00 0.00 H ATOM 201 H ASN A 20 17.038 -3.360 11.916 1.00 0.00 H ATOM 202 N ILE A 21 16.160 -2.484 9.181 1.00 18.76 N ATOM 203 CA ILE A 21 15.274 -2.208 8.057 1.00 15.06 C ATOM 204 C ILE A 21 15.274 -0.724 7.715 1.00 14.32 C ATOM 205 O ILE A 21 15.530 0.120 8.574 1.00 14.86 O ATOM 206 CB ILE A 21 13.823 -2.651 8.344 1.00 15.74 C ATOM 207 CG1 ILE A 21 13.324 -2.069 9.668 1.00 17.40 C ATOM 208 CG2 ILE A 21 13.726 -4.170 8.365 1.00 17.21 C ATOM 209 CD1 ILE A 21 11.832 -2.262 9.889 1.00 19.08 C ATOM 210 H ILE A 21 15.765 -2.878 10.059 1.00 0.00 H ATOM 211 N LYS A 22 14.986 -0.421 6.453 1.00 11.43 N ATOM 212 CA LYS A 22 14.847 0.956 5.992 1.00 10.63 C ATOM 213 C LYS A 22 13.464 1.132 5.377 1.00 10.65 C ATOM 214 O LYS A 22 13.319 1.311 4.166 1.00 11.17 O ATOM 215 CB LYS A 22 15.951 1.295 4.991 1.00 13.20 C ATOM 216 CG LYS A 22 17.342 1.208 5.611 1.00 15.74 C ATOM 217 CD LYS A 22 18.443 1.571 4.637 1.00 19.56 C ATOM 218 CE LYS A 22 19.807 1.395 5.288 1.00 22.89 C ATOM 219 NZ LYS A 22 20.935 1.577 4.332 1.00 22.04 N ATOM 220 HZ1 LYS A 22 20.856 0.877 3.567 1.00 0.00 H ATOM 221 HZ2 LYS A 22 20.897 2.536 3.931 1.00 0.00 H ATOM 222 HZ3 LYS A 22 21.837 1.445 4.833 1.00 0.00 H ATOM 223 H LYS A 22 14.855 -1.194 5.770 1.00 0.00 H ATOM 224 N PRO A 23 12.431 1.074 6.224 1.00 10.58 N ATOM 225 CA PRO A 23 11.059 0.956 5.732 1.00 10.73 C ATOM 226 C PRO A 23 10.534 2.208 5.049 1.00 9.55 C ATOM 227 O PRO A 23 10.929 3.330 5.375 1.00 10.50 O ATOM 228 CB PRO A 23 10.262 0.682 7.005 1.00 10.80 C ATOM 229 CG PRO A 23 11.048 1.340 8.078 1.00 10.87 C ATOM 230 CD PRO A 23 12.481 1.134 7.696 1.00 11.73 C ATOM 231 N ILE A 24 9.627 1.993 4.106 1.00 9.37 N ATOM 232 CA ILE A 24 8.937 3.074 3.432 1.00 9.88 C ATOM 233 C ILE A 24 7.564 3.230 4.079 1.00 9.54 C ATOM 234 O ILE A 24 6.767 2.285 4.113 1.00 9.88 O ATOM 235 CB ILE A 24 8.848 2.815 1.916 1.00 9.40 C ATOM 236 CG1 ILE A 24 10.267 2.768 1.333 1.00 11.97 C ATOM 237 CG2 ILE A 24 8.019 3.901 1.230 1.00 9.92 C ATOM 238 CD1 ILE A 24 10.342 2.331 -0.109 1.00 12.65 C ATOM 239 H ILE A 24 9.403 1.013 3.841 1.00 0.00 H ATOM 240 N LEU A 25 7.322 4.422 4.621 1.00 9.34 N ATOM 241 CA LEU A 25 6.120 4.721 5.388 1.00 8.79 C ATOM 242 C LEU A 25 5.463 5.974 4.842 1.00 9.95 C ATOM 243 O LEU A 25 6.118 6.802 4.209 1.00 11.61 O ATOM 244 CB LEU A 25 6.478 4.965 6.857 1.00 10.84 C ATOM 245 CG LEU A 25 7.239 3.851 7.581 1.00 11.80 C ATOM 246 CD1 LEU A 25 7.674 4.323 8.960 1.00 14.82 C ATOM 247 CD2 LEU A 25 6.402 2.584 7.679 1.00 12.55 C ATOM 248 H LEU A 25 8.026 5.177 4.490 1.00 0.00 H ATOM 249 N GLN A 26 4.169 6.119 5.105 1.00 8.93 N ATOM 250 CA GLN A 26 3.459 7.339 4.761 1.00 8.19 C ATOM 251 C GLN A 26 3.206 8.180 6.004 1.00 8.19 C ATOM 252 O GLN A 26 2.800 7.661 7.040 1.00 9.38 O ATOM 253 CB GLN A 26 2.133 7.025 4.073 1.00 8.99 C ATOM 254 CG GLN A 26 1.447 8.285 3.564 1.00 9.13 C ATOM 255 CD GLN A 26 0.135 8.033 2.858 1.00 9.94 C ATOM 256 OE1 GLN A 26 -0.612 7.118 3.202 1.00 10.10 O ATOM 257 NE2 GLN A 26 -0.153 8.855 1.857 1.00 9.61 N ATOM 258 HE22 GLN A 26 0.509 9.615 1.601 1.00 0.00 H ATOM 259 HE21 GLN A 26 -1.041 8.739 1.328 1.00 0.00 H ATOM 260 H GLN A 26 3.653 5.343 5.567 1.00 0.00 H ATOM 261 N VAL A 27 3.443 9.483 5.887 1.00 8.67 N ATOM 262 CA VAL A 27 3.083 10.419 6.941 1.00 9.24 C ATOM 263 C VAL A 27 1.584 10.659 6.860 1.00 9.36 C ATOM 264 O VAL A 27 1.068 11.024 5.805 1.00 10.60 O ATOM 265 CB VAL A 27 3.821 11.767 6.790 1.00 10.59 C ATOM 266 CG1 VAL A 27 3.407 12.734 7.887 1.00 11.44 C ATOM 267 CG2 VAL A 27 5.330 11.567 6.820 1.00 11.43 C ATOM 268 H VAL A 27 3.896 9.841 5.022 1.00 0.00 H ATOM 269 N ILE A 28 0.888 10.434 7.969 1.00 9.13 N ATOM 270 CA ILE A 28 -0.538 10.730 8.040 1.00 9.76 C ATOM 271 C ILE A 28 -0.773 12.103 8.666 1.00 11.57 C ATOM 272 O ILE A 28 -1.601 12.874 8.191 1.00 12.85 O ATOM 273 CB ILE A 28 -1.308 9.648 8.822 1.00 10.41 C ATOM 274 CG1 ILE A 28 -1.028 8.255 8.239 1.00 11.12 C ATOM 275 CG2 ILE A 28 -2.803 9.949 8.806 1.00 12.58 C ATOM 276 CD1 ILE A 28 -1.342 8.119 6.762 1.00 12.81 C ATOM 277 H ILE A 28 1.369 10.039 8.802 1.00 0.00 H ATOM 278 N ASN A 29 -0.041 12.404 9.731 1.00 10.82 N ATOM 279 CA ASN A 29 -0.164 13.691 10.398 1.00 12.25 C ATOM 280 C ASN A 29 1.135 14.053 11.090 1.00 11.75 C ATOM 281 O ASN A 29 1.898 13.170 11.476 1.00 12.11 O ATOM 282 CB ASN A 29 -1.298 13.662 11.428 1.00 16.25 C ATOM 283 CG ASN A 29 -1.620 15.031 11.972 1.00 20.66 C ATOM 284 OD1 ASN A 29 -1.778 15.988 11.215 1.00 21.04 O ATOM 285 ND2 ASN A 29 -1.702 15.138 13.292 1.00 21.16 N ATOM 286 HD22 ASN A 29 -1.561 14.300 13.891 1.00 0.00 H ATOM 287 HD21 ASN A 29 -1.908 16.060 13.727 1.00 0.00 H ATOM 288 H ASN A 29 0.636 11.704 10.097 1.00 0.00 H ATOM 289 N ILE A 30 1.374 15.354 11.235 1.00 10.99 N ATOM 290 CA ILE A 30 2.504 15.878 11.988 1.00 11.35 C ATOM 291 C ILE A 30 1.982 16.984 12.883 1.00 13.95 C ATOM 292 O ILE A 30 1.204 17.831 12.438 1.00 15.22 O ATOM 293 CB ILE A 30 3.594 16.494 11.076 1.00 12.88 C ATOM 294 CG1 ILE A 30 4.026 15.502 9.994 1.00 12.50 C ATOM 295 CG2 ILE A 30 4.799 16.930 11.911 1.00 14.78 C ATOM 296 CD1 ILE A 30 5.057 16.048 9.024 1.00 13.26 C ATOM 297 H ILE A 30 0.721 16.029 10.788 1.00 0.00 H ATOM 298 N ARG A 31 2.400 16.981 14.142 1.00 12.90 N ATOM 299 CA ARG A 31 2.093 18.098 15.024 1.00 16.16 C ATOM 300 C ARG A 31 3.253 18.388 15.962 1.00 14.32 C ATOM 301 O ARG A 31 4.018 17.487 16.313 1.00 14.98 O ATOM 302 CB ARG A 31 0.812 17.842 15.824 1.00 20.03 C ATOM 303 CG ARG A 31 0.919 16.763 16.891 1.00 23.35 C ATOM 304 CD ARG A 31 -0.115 16.969 17.997 1.00 26.36 C ATOM 305 NE ARG A 31 0.151 16.109 19.152 1.00 28.61 N ATOM 306 CZ ARG A 31 0.688 16.510 20.304 1.00 29.56 C ATOM 307 NH1 ARG A 31 1.020 17.784 20.508 1.00 28.38 N ATOM 308 NH2 ARG A 31 0.884 15.622 21.270 1.00 31.70 N ATOM 309 HE ARG A 31 -0.100 15.103 19.066 1.00 0.00 H ATOM 310 HH12 ARG A 31 1.438 18.074 21.415 1.00 0.00 H ATOM 311 HH11 ARG A 31 0.861 18.489 19.760 1.00 0.00 H ATOM 312 HH22 ARG A 31 1.302 15.921 22.174 1.00 0.00 H ATOM 313 HH21 ARG A 31 0.619 14.627 21.123 1.00 0.00 H ATOM 314 H ARG A 31 2.951 16.175 14.501 1.00 0.00 H ATOM 315 N PRO A 32 3.394 19.656 16.371 1.00 12.80 N ATOM 316 CA PRO A 32 4.423 19.945 17.363 1.00 13.66 C ATOM 317 C PRO A 32 3.991 19.440 18.724 1.00 14.35 C ATOM 318 O PRO A 32 2.789 19.383 19.003 1.00 15.38 O ATOM 319 CB PRO A 32 4.493 21.481 17.374 1.00 14.80 C ATOM 320 CG PRO A 32 3.581 21.959 16.277 1.00 15.08 C ATOM 321 CD PRO A 32 2.618 20.856 16.020 1.00 13.91 C ATOM 322 N ILE A 33 4.952 19.058 19.554 1.00 15.14 N ATOM 323 CA ILE A 33 4.656 18.762 20.948 1.00 17.22 C ATOM 324 C ILE A 33 4.950 20.013 21.756 1.00 19.48 C ATOM 325 O ILE A 33 5.609 20.933 21.270 1.00 21.37 O ATOM 326 CB ILE A 33 5.480 17.576 21.494 1.00 19.46 C ATOM 327 CG1 ILE A 33 6.980 17.866 21.422 1.00 21.04 C ATOM 328 CG2 ILE A 33 5.159 16.314 20.720 1.00 23.86 C ATOM 329 CD1 ILE A 33 7.786 17.184 22.518 1.00 30.08 C ATOM 330 H ILE A 33 5.928 18.969 19.205 1.00 0.00 H ATOM 331 N THR A 34 4.450 20.055 22.984 1.00 17.16 N ATOM 332 CA THR A 34 4.765 21.153 23.887 1.00 18.81 C ATOM 333 C THR A 34 6.210 21.007 24.356 1.00 20.35 C ATOM 334 O THR A 34 6.573 19.992 24.948 1.00 27.22 O ATOM 335 CB THR A 34 3.814 21.161 25.091 1.00 18.43 C ATOM 336 OG1 THR A 34 2.461 21.273 24.626 1.00 22.33 O ATOM 337 CG2 THR A 34 4.127 22.324 26.021 1.00 24.62 C ATOM 338 HG1 THR A 34 2.250 20.503 24.041 1.00 0.00 H ATOM 339 H THR A 34 3.823 19.291 23.307 1.00 0.00 H ATOM 340 N THR A 35 7.029 22.021 24.090 1.00 26.38 N ATOM 341 CA THR A 35 8.467 21.932 24.341 1.00 32.04 C ATOM 342 C THR A 35 8.958 22.898 25.414 1.00 57.57 C ATOM 343 O THR A 35 9.473 22.475 26.450 1.00 63.29 O ATOM 344 CB THR A 35 9.267 22.191 23.051 1.00 36.88 C ATOM 345 OG1 THR A 35 8.760 23.360 22.393 1.00 43.06 O ATOM 346 CG2 THR A 35 9.156 20.999 22.117 1.00 31.63 C ATOM 347 HG1 THR A 35 9.278 23.522 21.565 1.00 0.00 H ATOM 348 H THR A 35 6.637 22.899 23.694 1.00 0.00 H ATOM 349 N GLY A 36 8.809 24.192 25.155 1.00 46.45 N ATOM 350 CA GLY A 36 9.321 25.216 26.048 1.00 56.51 C ATOM 351 C GLY A 36 10.588 25.851 25.506 1.00 46.56 C ATOM 352 O GLY A 36 10.673 26.176 24.323 1.00 38.81 O ATOM 353 H GLY A 36 8.312 24.480 24.288 1.00 0.00 H ATOM 354 N ASN A 37 11.581 26.016 26.373 1.00 36.34 N ATOM 355 CA ASN A 37 12.793 26.749 26.021 1.00 34.30 C ATOM 356 C ASN A 37 13.826 25.888 25.301 1.00 34.23 C ATOM 357 O ASN A 37 14.987 25.815 25.705 1.00 40.47 O ATOM 358 CB ASN A 37 13.406 27.360 27.279 1.00 38.96 C ATOM 359 CG ASN A 37 12.365 27.996 28.175 1.00 43.98 C ATOM 360 OD1 ASN A 37 11.878 29.091 27.898 1.00 44.74 O ATOM 361 ND2 ASN A 37 12.014 27.307 29.255 1.00 48.47 N ATOM 362 HD22 ASN A 37 12.453 26.384 29.449 1.00 0.00 H ATOM 363 HD21 ASN A 37 11.300 27.690 29.907 1.00 0.00 H ATOM 364 H ASN A 37 11.492 25.612 27.327 1.00 0.00 H ATOM 365 N SER A 38 13.388 25.243 24.227 1.00 53.27 N ATOM 366 CA SER A 38 14.258 24.410 23.410 1.00 29.56 C ATOM 367 C SER A 38 13.673 24.375 22.004 1.00 25.31 C ATOM 368 O SER A 38 12.550 24.839 21.796 1.00 35.22 O ATOM 369 CB SER A 38 14.346 23.001 24.000 1.00 45.18 C ATOM 370 OG SER A 38 13.076 22.374 24.022 1.00 51.45 O ATOM 371 HG SER A 38 13.164 21.466 24.408 1.00 0.00 H ATOM 372 H SER A 38 12.387 25.336 23.960 1.00 0.00 H ATOM 373 N PRO A 39 14.430 23.843 21.029 1.00 29.42 N ATOM 374 CA PRO A 39 13.888 23.770 19.668 1.00 30.46 C ATOM 375 C PRO A 39 12.561 23.020 19.632 1.00 20.85 C ATOM 376 O PRO A 39 12.345 22.141 20.468 1.00 26.31 O ATOM 377 CB PRO A 39 14.961 22.986 18.904 1.00 27.40 C ATOM 378 CG PRO A 39 16.216 23.228 19.660 1.00 41.46 C ATOM 379 CD PRO A 39 15.812 23.334 21.100 1.00 24.79 C ATOM 380 N PRO A 40 11.677 23.364 18.683 1.00 19.20 N ATOM 381 CA PRO A 40 10.430 22.603 18.584 1.00 20.14 C ATOM 382 C PRO A 40 10.697 21.127 18.313 1.00 18.14 C ATOM 383 O PRO A 40 11.746 20.775 17.775 1.00 18.23 O ATOM 384 CB PRO A 40 9.708 23.250 17.395 1.00 22.28 C ATOM 385 CG PRO A 40 10.771 23.961 16.627 1.00 32.51 C ATOM 386 CD PRO A 40 11.785 24.393 17.634 1.00 26.32 C ATOM 387 N ARG A 41 9.747 20.285 18.699 1.00 14.85 N ATOM 388 CA ARG A 41 9.837 18.849 18.495 1.00 16.64 C ATOM 389 C ARG A 41 8.546 18.400 17.819 1.00 17.67 C ATOM 390 O ARG A 41 7.450 18.780 18.245 1.00 17.26 O ATOM 391 CB ARG A 41 10.042 18.141 19.839 1.00 24.51 C ATOM 392 CG ARG A 41 10.031 16.617 19.794 1.00 35.17 C ATOM 393 CD ARG A 41 11.337 16.049 19.261 1.00 37.31 C ATOM 394 NE ARG A 41 12.468 16.304 20.153 1.00 27.35 N ATOM 395 CZ ARG A 41 13.711 15.895 19.917 1.00 20.28 C ATOM 396 NH1 ARG A 41 13.990 15.209 18.816 1.00 20.12 N ATOM 397 NH2 ARG A 41 14.680 16.174 20.779 1.00 29.13 N ATOM 398 HE ARG A 41 12.289 16.839 21.027 1.00 0.00 H ATOM 399 HH12 ARG A 41 14.963 14.891 18.634 1.00 0.00 H ATOM 400 HH11 ARG A 41 13.235 14.990 18.135 1.00 0.00 H ATOM 401 HH22 ARG A 41 15.651 15.853 20.592 1.00 0.00 H ATOM 402 HH21 ARG A 41 14.468 16.714 21.642 1.00 0.00 H ATOM 403 H ARG A 41 8.902 20.669 19.168 1.00 0.00 H ATOM 404 N TYR A 42 8.681 17.607 16.758 1.00 14.60 N ATOM 405 CA TYR A 42 7.530 17.159 15.980 1.00 12.86 C ATOM 406 C TYR A 42 7.231 15.687 16.197 1.00 12.04 C ATOM 407 O TYR A 42 8.130 14.849 16.186 1.00 13.48 O ATOM 408 CB TYR A 42 7.749 17.439 14.490 1.00 12.38 C ATOM 409 CG TYR A 42 7.898 18.910 14.214 1.00 12.48 C ATOM 410 CD1 TYR A 42 6.792 19.746 14.222 1.00 14.80 C ATOM 411 CD2 TYR A 42 9.143 19.471 13.982 1.00 13.65 C ATOM 412 CE1 TYR A 42 6.919 21.094 13.996 1.00 14.39 C ATOM 413 CE2 TYR A 42 9.282 20.823 13.751 1.00 14.26 C ATOM 414 CZ TYR A 42 8.166 21.631 13.756 1.00 13.90 C ATOM 415 OH TYR A 42 8.294 22.983 13.528 1.00 16.14 O ATOM 416 HH TYR A 42 7.401 23.409 13.567 1.00 0.00 H ATOM 417 H TYR A 42 9.633 17.298 16.476 1.00 0.00 H ATOM 418 N ARG A 43 5.950 15.399 16.402 1.00 10.75 N ATOM 419 CA ARG A 43 5.454 14.041 16.553 1.00 11.78 C ATOM 420 C ARG A 43 4.690 13.663 15.294 1.00 10.45 C ATOM 421 O ARG A 43 3.961 14.486 14.737 1.00 11.97 O ATOM 422 CB ARG A 43 4.539 13.962 17.772 1.00 13.93 C ATOM 423 CG ARG A 43 3.960 12.593 18.039 1.00 13.92 C ATOM 424 CD ARG A 43 3.188 12.593 19.339 1.00 16.79 C ATOM 425 NE ARG A 43 2.603 11.290 19.617 1.00 18.43 N ATOM 426 CZ ARG A 43 1.858 11.018 20.680 1.00 20.40 C ATOM 427 NH1 ARG A 43 1.603 11.965 21.575 1.00 22.66 N ATOM 428 NH2 ARG A 43 1.367 9.797 20.847 1.00 23.88 N ATOM 429 HE ARG A 43 2.781 10.522 18.938 1.00 0.00 H ATOM 430 HH12 ARG A 43 1.019 11.750 22.408 1.00 0.00 H ATOM 431 HH11 ARG A 43 1.988 12.922 21.443 1.00 0.00 H ATOM 432 HH22 ARG A 43 0.783 9.581 21.680 1.00 0.00 H ATOM 433 HH21 ARG A 43 1.567 9.056 20.145 1.00 0.00 H ATOM 434 H ARG A 43 5.269 16.183 16.457 1.00 0.00 H ATOM 435 N LEU A 44 4.864 12.425 14.840 1.00 10.68 N ATOM 436 CA LEU A 44 4.253 11.978 13.592 1.00 9.90 C ATOM 437 C LEU A 44 3.391 10.739 13.771 1.00 10.55 C ATOM 438 O LEU A 44 3.768 9.793 14.466 1.00 11.32 O ATOM 439 CB LEU A 44 5.328 11.678 12.545 1.00 10.18 C ATOM 440 CG LEU A 44 6.231 12.838 12.129 1.00 12.64 C ATOM 441 CD1 LEU A 44 7.422 12.966 13.064 1.00 17.01 C ATOM 442 CD2 LEU A 44 6.692 12.652 10.695 1.00 12.87 C ATOM 443 H LEU A 44 5.448 11.761 15.386 1.00 0.00 H ATOM 444 N LEU A 45 2.230 10.768 13.127 1.00 10.16 N ATOM 445 CA LEU A 45 1.404 9.588 12.922 1.00 10.04 C ATOM 446 C LEU A 45 1.796 9.042 11.561 1.00 9.81 C ATOM 447 O LEU A 45 1.592 9.711 10.547 1.00 9.39 O ATOM 448 CB LEU A 45 -0.077 9.973 12.939 1.00 11.67 C ATOM 449 CG LEU A 45 -1.102 8.863 12.675 1.00 11.69 C ATOM 450 CD1 LEU A 45 -1.089 7.808 13.768 1.00 12.78 C ATOM 451 CD2 LEU A 45 -2.501 9.452 12.513 1.00 13.52 C ATOM 452 H LEU A 45 1.895 11.678 12.751 1.00 0.00 H ATOM 453 N MET A 46 2.391 7.851 11.549 1.00 9.48 N ATOM 454 CA MET A 46 2.827 7.259 10.292 1.00 9.19 C ATOM 455 C MET A 46 2.128 5.939 10.032 1.00 8.77 C ATOM 456 O MET A 46 1.578 5.318 10.939 1.00 10.85 O ATOM 457 CB MET A 46 4.343 7.093 10.282 1.00 11.15 C ATOM 458 CG MET A 46 5.066 8.412 10.472 1.00 10.65 C ATOM 459 SD MET A 46 6.851 8.254 10.382 1.00 10.48 S ATOM 460 CE MET A 46 7.146 8.549 8.642 1.00 10.19 C ATOM 461 H MET A 46 2.545 7.341 12.442 1.00 0.00 H ATOM 462 N SER A 47 2.143 5.536 8.766 1.00 8.96 N ATOM 463 CA SER A 47 1.450 4.347 8.296 1.00 9.67 C ATOM 464 C SER A 47 2.376 3.468 7.475 1.00 8.37 C ATOM 465 O SER A 47 3.159 3.975 6.678 1.00 10.19 O ATOM 466 CB SER A 47 0.274 4.756 7.416 1.00 10.35 C ATOM 467 OG SER A 47 -0.254 3.623 6.745 1.00 10.55 O ATOM 468 HG SER A 47 -1.016 3.902 6.178 1.00 0.00 H ATOM 469 H SER A 47 2.678 6.100 8.075 1.00 0.00 H ATOM 470 N ASP A 48 2.270 2.153 7.649 1.00 9.81 N ATOM 471 CA ASP A 48 2.976 1.212 6.779 1.00 11.28 C ATOM 472 C ASP A 48 2.013 0.513 5.815 1.00 13.46 C ATOM 473 O ASP A 48 2.392 -0.447 5.143 1.00 16.08 O ATOM 474 CB ASP A 48 3.785 0.192 7.598 1.00 13.47 C ATOM 475 CG ASP A 48 2.916 -0.819 8.330 1.00 13.76 C ATOM 476 OD1 ASP A 48 1.674 -0.706 8.296 1.00 14.92 O ATOM 477 OD2 ASP A 48 3.495 -1.734 8.957 1.00 13.57 O ATOM 478 H ASP A 48 1.674 1.787 8.418 1.00 0.00 H ATOM 479 N GLY A 49 0.776 1.004 5.746 1.00 13.27 N ATOM 480 CA GLY A 49 -0.241 0.409 4.892 1.00 14.56 C ATOM 481 C GLY A 49 -1.182 -0.531 5.632 1.00 16.70 C ATOM 482 O GLY A 49 -2.354 -0.660 5.271 1.00 20.15 O ATOM 483 H GLY A 49 0.530 1.836 6.319 1.00 0.00 H ATOM 484 N LEU A 50 -0.663 -1.200 6.656 1.00 15.45 N ATOM 485 CA LEU A 50 -1.462 -2.102 7.487 1.00 16.90 C ATOM 486 C LEU A 50 -1.820 -1.443 8.808 1.00 13.56 C ATOM 487 O LEU A 50 -2.957 -1.552 9.282 1.00 13.42 O ATOM 488 CB LEU A 50 -0.698 -3.394 7.776 1.00 19.06 C ATOM 489 CG LEU A 50 -0.434 -4.330 6.596 1.00 19.89 C ATOM 490 CD1 LEU A 50 0.331 -5.553 7.080 1.00 20.57 C ATOM 491 CD2 LEU A 50 -1.725 -4.749 5.906 1.00 20.53 C ATOM 492 H LEU A 50 0.346 -1.078 6.875 1.00 0.00 H ATOM 493 N ASN A 51 -0.832 -0.781 9.407 1.00 13.74 N ATOM 494 CA ASN A 51 -1.004 -0.126 10.696 1.00 12.80 C ATOM 495 C ASN A 51 -0.647 1.342 10.641 1.00 12.33 C ATOM 496 O ASN A 51 0.172 1.751 9.822 1.00 11.14 O ATOM 497 CB ASN A 51 -0.098 -0.755 11.755 1.00 14.60 C ATOM 498 CG ASN A 51 -0.577 -2.106 12.221 1.00 15.31 C ATOM 499 OD1 ASN A 51 0.152 -3.092 12.133 1.00 15.17 O ATOM 500 ND2 ASN A 51 -1.792 -2.157 12.752 1.00 14.95 N ATOM 501 HD22 ASN A 51 -2.373 -1.296 12.805 1.00 0.00 H ATOM 502 HD21 ASN A 51 -2.163 -3.058 13.115 1.00 0.00 H ATOM 503 H ASN A 51 0.095 -0.730 8.938 1.00 0.00 H ATOM 504 N THR A 52 -1.254 2.122 11.532 1.00 11.06 N ATOM 505 CA THR A 52 -0.745 3.443 11.872 1.00 11.05 C ATOM 506 C THR A 52 -0.125 3.379 13.262 1.00 12.45 C ATOM 507 O THR A 52 -0.480 2.521 14.077 1.00 14.86 O ATOM 508 CB THR A 52 -1.838 4.542 11.840 1.00 13.19 C ATOM 509 OG1 THR A 52 -2.885 4.221 12.762 1.00 14.59 O ATOM 510 CG2 THR A 52 -2.422 4.692 10.446 1.00 13.61 C ATOM 511 HG1 THR A 52 -3.577 4.929 12.733 1.00 0.00 H ATOM 512 H THR A 52 -2.117 1.778 11.999 1.00 0.00 H ATOM 513 N LEU A 53 0.801 4.293 13.521 1.00 12.65 N ATOM 514 CA LEU A 53 1.456 4.397 14.815 1.00 14.86 C ATOM 515 C LEU A 53 1.819 5.856 15.046 1.00 12.34 C ATOM 516 O LEU A 53 2.388 6.494 14.166 1.00 10.99 O ATOM 517 CB LEU A 53 2.719 3.536 14.835 1.00 17.92 C ATOM 518 CG LEU A 53 3.479 3.461 16.160 1.00 21.66 C ATOM 519 CD1 LEU A 53 2.714 2.616 17.160 1.00 26.11 C ATOM 520 CD2 LEU A 53 4.893 2.918 15.968 1.00 22.01 C ATOM 521 H LEU A 53 1.069 4.961 12.770 1.00 0.00 H ATOM 522 N SER A 54 1.500 6.379 16.230 1.00 13.55 N ATOM 523 CA SER A 54 1.718 7.795 16.527 1.00 14.44 C ATOM 524 C SER A 54 2.928 8.054 17.423 1.00 12.90 C ATOM 525 O SER A 54 3.134 9.182 17.872 1.00 16.20 O ATOM 526 CB SER A 54 0.475 8.385 17.199 1.00 19.63 C ATOM 527 OG SER A 54 0.261 7.799 18.472 1.00 24.16 O ATOM 528 HG SER A 54 0.134 6.823 18.367 1.00 0.00 H ATOM 529 H SER A 54 1.086 5.765 16.961 1.00 0.00 H ATOM 530 N SER A 55 3.735 7.025 17.661 1.00 12.31 N ATOM 531 CA SER A 55 4.848 7.088 18.597 1.00 13.01 C ATOM 532 C SER A 55 6.160 7.494 17.927 1.00 13.95 C ATOM 533 O SER A 55 7.234 7.117 18.390 1.00 17.09 O ATOM 534 CB SER A 55 5.029 5.718 19.258 1.00 16.81 C ATOM 535 OG SER A 55 3.825 5.271 19.860 1.00 19.70 O ATOM 536 HG SER A 55 3.975 4.386 20.277 1.00 0.00 H ATOM 537 H SER A 55 3.563 6.133 17.155 1.00 0.00 H ATOM 538 N PHE A 56 6.075 8.241 16.836 1.00 12.68 N ATOM 539 CA PHE A 56 7.265 8.711 16.140 1.00 12.00 C ATOM 540 C PHE A 56 7.567 10.160 16.494 1.00 12.04 C ATOM 541 O PHE A 56 6.661 10.993 16.546 1.00 11.39 O ATOM 542 CB PHE A 56 7.066 8.636 14.630 1.00 11.94 C ATOM 543 CG PHE A 56 6.970 7.241 14.088 1.00 11.61 C ATOM 544 CD1 PHE A 56 5.739 6.630 13.926 1.00 15.53 C ATOM 545 CD2 PHE A 56 8.108 6.553 13.712 1.00 12.82 C ATOM 546 CE1 PHE A 56 5.651 5.351 13.414 1.00 16.37 C ATOM 547 CE2 PHE A 56 8.027 5.276 13.197 1.00 13.27 C ATOM 548 CZ PHE A 56 6.799 4.671 13.046 1.00 15.19 C ATOM 549 H PHE A 56 5.137 8.498 16.468 1.00 0.00 H ATOM 550 N MET A 57 8.845 10.449 16.721 1.00 12.14 N ATOM 551 CA MET A 57 9.279 11.829 16.870 1.00 13.38 C ATOM 552 C MET A 57 10.470 12.087 15.964 1.00 12.47 C ATOM 553 O MET A 57 11.280 11.206 15.698 1.00 12.95 O ATOM 554 CB MET A 57 9.576 12.179 18.335 1.00 14.55 C ATOM 555 CG MET A 57 8.304 12.487 19.136 1.00 15.29 C ATOM 556 SD MET A 57 8.555 13.067 20.829 1.00 19.94 S ATOM 557 CE MET A 57 9.194 11.586 21.606 1.00 21.55 C ATOM 558 H MET A 57 9.542 9.680 16.793 1.00 0.00 H ATOM 559 N LEU A 58 10.535 13.307 15.452 1.00 12.09 N ATOM 560 CA LEU A 58 11.568 13.683 14.503 1.00 12.44 C ATOM 561 C LEU A 58 12.813 14.191 15.230 1.00 12.48 C ATOM 562 O LEU A 58 12.709 14.987 16.161 1.00 14.34 O ATOM 563 CB LEU A 58 11.020 14.773 13.583 1.00 13.27 C ATOM 564 CG LEU A 58 11.814 15.082 12.321 1.00 15.74 C ATOM 565 CD1 LEU A 58 11.711 13.939 11.318 1.00 18.95 C ATOM 566 CD2 LEU A 58 11.318 16.380 11.721 1.00 16.43 C ATOM 567 H LEU A 58 9.828 14.014 15.737 1.00 0.00 H ATOM 568 N ALA A 59 13.992 13.734 14.815 1.00 12.93 N ATOM 569 CA ALA A 59 15.230 14.343 15.299 1.00 13.76 C ATOM 570 C ALA A 59 15.192 15.835 14.973 1.00 13.44 C ATOM 571 O ALA A 59 14.734 16.230 13.902 1.00 13.38 O ATOM 572 CB ALA A 59 16.441 13.691 14.658 1.00 15.61 C ATOM 573 H ALA A 59 14.033 12.941 14.144 1.00 0.00 H ATOM 574 N THR A 60 15.660 16.667 15.896 1.00 14.56 N ATOM 575 CA THR A 60 15.582 18.112 15.708 1.00 15.72 C ATOM 576 C THR A 60 16.360 18.585 14.476 1.00 14.23 C ATOM 577 O THR A 60 16.009 19.595 13.872 1.00 14.65 O ATOM 578 CB THR A 60 16.072 18.870 16.953 1.00 21.75 C ATOM 579 OG1 THR A 60 17.430 18.517 17.229 1.00 24.28 O ATOM 580 CG2 THR A 60 15.212 18.523 18.152 1.00 24.17 C ATOM 581 HG1 THR A 60 17.490 17.542 17.393 1.00 0.00 H ATOM 582 H THR A 60 16.087 16.284 16.763 1.00 0.00 H ATOM 583 N GLN A 61 17.407 17.854 14.101 1.00 14.01 N ATOM 584 CA GLN A 61 18.190 18.200 12.916 1.00 16.27 C ATOM 585 C GLN A 61 17.334 18.193 11.646 1.00 15.20 C ATOM 586 O GLN A 61 17.662 18.867 10.668 1.00 18.38 O ATOM 587 CB GLN A 61 19.377 17.241 12.759 1.00 18.24 C ATOM 588 CG GLN A 61 18.980 15.784 12.516 1.00 24.46 C ATOM 589 CD GLN A 61 20.136 14.806 12.674 1.00 27.93 C ATOM 590 OE1 GLN A 61 21.199 15.154 13.186 1.00 31.57 O ATOM 591 NE2 GLN A 61 19.926 13.570 12.235 1.00 27.93 N ATOM 592 HE22 GLN A 61 19.012 13.318 11.808 1.00 0.00 H ATOM 593 HE21 GLN A 61 20.676 12.854 12.318 1.00 0.00 H ATOM 594 H GLN A 61 17.673 17.020 14.662 1.00 0.00 H ATOM 595 N LEU A 62 16.230 17.448 11.673 1.00 15.02 N ATOM 596 CA LEU A 62 15.347 17.329 10.510 1.00 14.22 C ATOM 597 C LEU A 62 14.171 18.310 10.539 1.00 12.48 C ATOM 598 O LEU A 62 13.338 18.305 9.634 1.00 12.47 O ATOM 599 CB LEU A 62 14.814 15.898 10.395 1.00 16.69 C ATOM 600 CG LEU A 62 15.846 14.776 10.254 1.00 20.55 C ATOM 601 CD1 LEU A 62 15.153 13.438 10.044 1.00 23.19 C ATOM 602 CD2 LEU A 62 16.814 15.056 9.115 1.00 23.49 C ATOM 603 H LEU A 62 15.988 16.936 12.545 1.00 0.00 H ATOM 604 N ASN A 63 14.102 19.152 11.565 1.00 12.72 N ATOM 605 CA ASN A 63 13.023 20.131 11.658 1.00 12.27 C ATOM 606 C ASN A 63 12.809 20.953 10.382 1.00 11.65 C ATOM 607 O ASN A 63 11.672 21.243 10.026 1.00 11.51 O ATOM 608 CB ASN A 63 13.254 21.073 12.839 1.00 11.23 C ATOM 609 CG ASN A 63 12.875 20.452 14.172 1.00 12.88 C ATOM 610 OD1 ASN A 63 12.508 19.276 14.251 1.00 13.80 O ATOM 611 ND2 ASN A 63 12.972 21.242 15.234 1.00 14.83 N ATOM 612 HD22 ASN A 63 13.286 22.227 15.122 1.00 0.00 H ATOM 613 HD21 ASN A 63 12.734 20.876 16.178 1.00 0.00 H ATOM 614 H ASN A 63 14.826 19.113 12.311 1.00 0.00 H ATOM 615 N PRO A 64 13.894 21.332 9.685 1.00 12.33 N ATOM 616 CA PRO A 64 13.683 22.101 8.454 1.00 14.36 C ATOM 617 C PRO A 64 12.814 21.402 7.405 1.00 12.02 C ATOM 618 O PRO A 64 12.157 22.079 6.615 1.00 13.10 O ATOM 619 CB PRO A 64 15.103 22.321 7.933 1.00 15.42 C ATOM 620 CG PRO A 64 15.936 22.346 9.168 1.00 15.86 C ATOM 621 CD PRO A 64 15.319 21.296 10.060 1.00 13.51 C ATOM 622 N LEU A 65 12.807 20.073 7.395 1.00 11.15 N ATOM 623 CA LEU A 65 11.967 19.343 6.449 1.00 10.85 C ATOM 624 C LEU A 65 10.483 19.615 6.692 1.00 11.80 C ATOM 625 O LEU A 65 9.697 19.671 5.749 1.00 12.28 O ATOM 626 CB LEU A 65 12.239 17.840 6.519 1.00 11.97 C ATOM 627 CG LEU A 65 13.418 17.308 5.699 1.00 12.47 C ATOM 628 CD1 LEU A 65 14.739 17.950 6.108 1.00 13.58 C ATOM 629 CD2 LEU A 65 13.493 15.799 5.837 1.00 13.86 C ATOM 630 H LEU A 65 13.404 19.549 8.066 1.00 0.00 H ATOM 631 N VAL A 66 10.104 19.770 7.957 1.00 11.67 N ATOM 632 CA VAL A 66 8.727 20.097 8.309 1.00 11.82 C ATOM 633 C VAL A 66 8.445 21.581 8.075 1.00 11.14 C ATOM 634 O VAL A 66 7.441 21.952 7.477 1.00 12.72 O ATOM 635 CB VAL A 66 8.436 19.745 9.784 1.00 12.22 C ATOM 636 CG1 VAL A 66 7.031 20.167 10.183 1.00 11.62 C ATOM 637 CG2 VAL A 66 8.619 18.255 10.015 1.00 14.74 C ATOM 638 H VAL A 66 10.807 19.655 8.715 1.00 0.00 H ATOM 639 N GLU A 67 9.350 22.432 8.529 1.00 12.17 N ATOM 640 CA GLU A 67 9.123 23.866 8.508 1.00 13.64 C ATOM 641 C GLU A 67 9.183 24.458 7.097 1.00 15.04 C ATOM 642 O GLU A 67 8.632 25.525 6.842 1.00 17.83 O ATOM 643 CB GLU A 67 10.116 24.526 9.459 1.00 15.34 C ATOM 644 CG GLU A 67 9.849 24.091 10.901 1.00 15.30 C ATOM 645 CD GLU A 67 10.999 24.343 11.849 1.00 18.18 C ATOM 646 OE1 GLU A 67 12.052 24.850 11.410 1.00 22.22 O ATOM 647 OE2 GLU A 67 10.841 24.022 13.047 1.00 17.49 O ATOM 648 H GLU A 67 10.246 22.065 8.910 1.00 0.00 H ATOM 649 N GLU A 68 9.849 23.756 6.179 1.00 14.35 N ATOM 650 CA GLU A 68 9.864 24.169 4.771 1.00 14.93 C ATOM 651 C GLU A 68 8.915 23.300 3.923 1.00 15.53 C ATOM 652 O GLU A 68 8.875 23.417 2.697 1.00 14.69 O ATOM 653 CB GLU A 68 11.291 24.168 4.221 1.00 15.06 C ATOM 654 CG GLU A 68 12.219 25.079 5.024 1.00 16.08 C ATOM 655 CD GLU A 68 13.612 25.220 4.433 1.00 17.71 C ATOM 656 OE1 GLU A 68 14.556 25.515 5.206 1.00 18.82 O ATOM 657 OE2 GLU A 68 13.766 25.054 3.204 1.00 19.65 O ATOM 658 H GLU A 68 10.367 22.901 6.466 1.00 0.00 H ATOM 659 N GLU A 69 8.160 22.436 4.600 1.00 15.79 N ATOM 660 CA GLU A 69 7.013 21.722 4.024 1.00 19.13 C ATOM 661 C GLU A 69 7.344 20.618 3.020 1.00 19.05 C ATOM 662 O GLU A 69 6.474 20.219 2.244 1.00 24.31 O ATOM 663 CB GLU A 69 6.020 22.704 3.385 1.00 22.08 C ATOM 664 CG GLU A 69 5.460 23.731 4.351 1.00 25.25 C ATOM 665 CD GLU A 69 4.397 24.608 3.718 1.00 29.27 C ATOM 666 OE1 GLU A 69 3.257 24.130 3.537 1.00 32.90 O ATOM 667 OE2 GLU A 69 4.701 25.776 3.398 1.00 30.41 O ATOM 668 H GLU A 69 8.397 22.256 5.597 1.00 0.00 H ATOM 669 N GLN A 70 8.576 20.116 3.023 1.00 17.83 N ATOM 670 CA GLN A 70 8.893 18.941 2.209 1.00 19.21 C ATOM 671 C GLN A 70 8.355 17.685 2.879 1.00 18.28 C ATOM 672 O GLN A 70 8.027 16.700 2.213 1.00 19.73 O ATOM 673 CB GLN A 70 10.396 18.777 1.989 1.00 22.04 C ATOM 674 CG GLN A 70 11.003 19.772 1.025 1.00 26.65 C ATOM 675 CD GLN A 70 11.532 20.998 1.722 1.00 29.20 C ATOM 676 OE1 GLN A 70 11.255 21.222 2.899 1.00 28.75 O ATOM 677 NE2 GLN A 70 12.312 21.798 1.001 1.00 32.07 N ATOM 678 HE22 GLN A 70 12.518 21.567 0.008 1.00 0.00 H ATOM 679 HE21 GLN A 70 12.716 22.655 1.430 1.00 0.00 H ATOM 680 H GLN A 70 9.315 20.559 3.605 1.00 0.00 H ATOM 681 N LEU A 71 8.289 17.731 4.204 1.00 19.56 N ATOM 682 CA LEU A 71 7.769 16.633 5.003 1.00 18.70 C ATOM 683 C LEU A 71 6.414 17.045 5.568 1.00 17.13 C ATOM 684 O LEU A 71 6.342 17.887 6.462 1.00 17.92 O ATOM 685 CB LEU A 71 8.749 16.321 6.133 1.00 20.31 C ATOM 686 CG LEU A 71 8.455 15.112 7.020 1.00 20.60 C ATOM 687 CD1 LEU A 71 8.542 13.832 6.225 1.00 22.22 C ATOM 688 CD2 LEU A 71 9.415 15.067 8.194 1.00 20.67 C ATOM 689 H LEU A 71 8.623 18.587 4.691 1.00 0.00 H ATOM 690 N SER A 72 5.343 16.463 5.033 1.00 16.85 N ATOM 691 CA SER A 72 3.989 16.827 5.442 1.00 17.09 C ATOM 692 C SER A 72 3.002 15.687 5.213 1.00 14.37 C ATOM 693 O SER A 72 3.326 14.688 4.576 1.00 12.86 O ATOM 694 CB SER A 72 3.518 18.058 4.672 1.00 21.66 C ATOM 695 OG SER A 72 3.396 17.771 3.294 1.00 22.12 O ATOM 696 HG SER A 72 3.090 18.582 2.815 1.00 0.00 H ATOM 697 H SER A 72 5.474 15.731 4.306 1.00 0.00 H ATOM 698 N SER A 73 1.793 15.861 5.738 1.00 14.24 N ATOM 699 CA SER A 73 0.757 14.842 5.637 1.00 13.67 C ATOM 700 C SER A 73 0.566 14.363 4.200 1.00 11.77 C ATOM 701 O SER A 73 0.439 15.167 3.279 1.00 12.11 O ATOM 702 CB SER A 73 -0.560 15.372 6.202 1.00 17.40 C ATOM 703 OG SER A 73 -0.398 15.761 7.553 1.00 22.36 O ATOM 704 HG SER A 73 0.287 16.473 7.610 1.00 0.00 H ATOM 705 H SER A 73 1.581 16.750 6.235 1.00 0.00 H ATOM 706 N ASN A 74 0.570 13.038 4.054 1.00 10.81 N ATOM 707 CA ASN A 74 0.401 12.284 2.803 1.00 11.36 C ATOM 708 C ASN A 74 1.699 11.925 2.095 1.00 9.65 C ATOM 709 O ASN A 74 1.696 11.040 1.244 1.00 10.16 O ATOM 710 CB ASN A 74 -0.568 12.939 1.814 1.00 11.90 C ATOM 711 CG ASN A 74 -1.968 13.047 2.361 1.00 15.97 C ATOM 712 OD1 ASN A 74 -2.445 12.143 3.049 1.00 18.87 O ATOM 713 ND2 ASN A 74 -2.641 14.152 2.058 1.00 17.58 N ATOM 714 HD22 ASN A 74 -2.196 14.888 1.474 1.00 0.00 H ATOM 715 HD21 ASN A 74 -3.613 14.281 2.405 1.00 0.00 H ATOM 716 H ASN A 74 0.708 12.477 4.919 1.00 0.00 H ATOM 717 N CYS A 75 2.807 12.573 2.449 1.00 9.96 N ATOM 718 CA CYS A 75 4.043 12.233 1.770 1.00 10.23 C ATOM 719 C CYS A 75 4.492 10.815 2.133 1.00 8.65 C ATOM 720 O CYS A 75 4.126 10.255 3.172 1.00 9.59 O ATOM 721 CB CYS A 75 5.138 13.267 2.036 1.00 10.32 C ATOM 722 SG CYS A 75 6.081 13.033 3.540 1.00 12.39 S ATOM 723 H CYS A 75 2.787 13.302 3.191 1.00 0.00 H ATOM 724 N VAL A 76 5.250 10.228 1.214 1.00 9.58 N ATOM 725 CA VAL A 76 5.787 8.887 1.384 1.00 9.20 C ATOM 726 C VAL A 76 7.293 9.018 1.564 1.00 9.65 C ATOM 727 O VAL A 76 7.966 9.669 0.759 1.00 10.25 O ATOM 728 CB VAL A 76 5.430 7.985 0.190 1.00 11.24 C ATOM 729 CG1 VAL A 76 6.146 6.646 0.279 1.00 11.18 C ATOM 730 CG2 VAL A 76 3.926 7.769 0.140 1.00 12.86 C ATOM 731 H VAL A 76 5.468 10.747 0.339 1.00 0.00 H ATOM 732 N CYS A 77 7.812 8.405 2.625 1.00 9.57 N ATOM 733 CA CYS A 77 9.223 8.551 2.940 1.00 10.90 C ATOM 734 C CYS A 77 9.875 7.229 3.295 1.00 9.69 C ATOM 735 O CYS A 77 9.221 6.277 3.716 1.00 12.02 O ATOM 736 CB CYS A 77 9.424 9.567 4.070 1.00 12.50 C ATOM 737 SG CYS A 77 8.592 9.158 5.610 1.00 13.34 S ATOM 738 H CYS A 77 7.205 7.818 3.232 1.00 0.00 H ATOM 739 N GLN A 78 11.182 7.184 3.079 1.00 9.88 N ATOM 740 CA GLN A 78 11.983 6.047 3.479 1.00 10.69 C ATOM 741 C GLN A 78 12.757 6.439 4.726 1.00 9.50 C ATOM 742 O GLN A 78 13.420 7.480 4.755 1.00 9.86 O ATOM 743 CB GLN A 78 12.950 5.636 2.377 1.00 10.57 C ATOM 744 CG GLN A 78 13.766 4.418 2.755 1.00 11.98 C ATOM 745 CD GLN A 78 14.335 3.706 1.563 1.00 13.82 C ATOM 746 OE1 GLN A 78 14.604 4.316 0.527 1.00 16.80 O ATOM 747 NE2 GLN A 78 14.519 2.397 1.695 1.00 14.37 N ATOM 748 HE22 GLN A 78 14.277 1.925 2.590 1.00 0.00 H ATOM 749 HE21 GLN A 78 14.905 1.844 0.904 1.00 0.00 H ATOM 750 H GLN A 78 11.645 7.988 2.609 1.00 0.00 H ATOM 751 N ILE A 79 12.660 5.613 5.762 1.00 9.95 N ATOM 752 CA ILE A 79 13.415 5.839 6.983 1.00 10.25 C ATOM 753 C ILE A 79 14.771 5.156 6.877 1.00 9.92 C ATOM 754 O ILE A 79 14.856 3.932 6.867 1.00 12.44 O ATOM 755 CB ILE A 79 12.661 5.311 8.216 1.00 11.01 C ATOM 756 CG1 ILE A 79 11.208 5.812 8.216 1.00 12.25 C ATOM 757 CG2 ILE A 79 13.391 5.706 9.490 1.00 12.90 C ATOM 758 CD1 ILE A 79 11.053 7.313 8.067 1.00 15.16 C ATOM 759 H ILE A 79 12.031 4.788 5.698 1.00 0.00 H ATOM 760 N HIS A 80 15.826 5.955 6.791 1.00 10.52 N ATOM 761 CA HIS A 80 17.178 5.430 6.626 1.00 11.16 C ATOM 762 C HIS A 80 17.877 5.139 7.944 1.00 12.84 C ATOM 763 O HIS A 80 18.771 4.300 7.996 1.00 16.23 O ATOM 764 CB HIS A 80 18.013 6.388 5.787 1.00 12.50 C ATOM 765 CG HIS A 80 17.610 6.410 4.348 1.00 13.08 C ATOM 766 ND1 HIS A 80 17.959 5.411 3.468 1.00 15.38 N ATOM 767 CD2 HIS A 80 16.861 7.291 3.643 1.00 13.65 C ATOM 768 CE1 HIS A 80 17.457 5.682 2.277 1.00 15.00 C ATOM 769 NE2 HIS A 80 16.782 6.813 2.357 1.00 14.14 N ATOM 770 H HIS A 80 15.686 6.984 6.843 1.00 0.00 H ATOM 771 N ARG A 81 17.467 5.826 9.005 1.00 11.36 N ATOM 772 CA ARG A 81 18.033 5.583 10.321 1.00 13.16 C ATOM 773 C ARG A 81 17.048 6.011 11.392 1.00 11.39 C ATOM 774 O ARG A 81 16.474 7.098 11.329 1.00 11.86 O ATOM 775 CB ARG A 81 19.351 6.336 10.496 1.00 14.41 C ATOM 776 CG ARG A 81 20.100 5.966 11.763 1.00 19.07 C ATOM 777 CD ARG A 81 21.564 6.374 11.691 1.00 23.23 C ATOM 778 NE ARG A 81 21.746 7.824 11.685 1.00 26.31 N ATOM 779 CZ ARG A 81 21.839 8.579 12.776 1.00 29.64 C ATOM 780 NH1 ARG A 81 21.760 8.034 13.984 1.00 30.76 N ATOM 781 NH2 ARG A 81 22.008 9.890 12.659 1.00 31.33 N ATOM 782 HE ARG A 81 21.807 8.299 10.762 1.00 0.00 H ATOM 783 HH12 ARG A 81 21.834 8.633 14.831 1.00 0.00 H ATOM 784 HH11 ARG A 81 21.624 7.008 14.084 1.00 0.00 H ATOM 785 HH22 ARG A 81 22.081 10.483 13.510 1.00 0.00 H ATOM 786 HH21 ARG A 81 22.067 10.325 11.716 1.00 0.00 H ATOM 787 H ARG A 81 16.729 6.550 8.892 1.00 0.00 H ATOM 788 N PHE A 82 16.837 5.139 12.367 1.00 12.76 N ATOM 789 CA PHE A 82 16.001 5.467 13.507 1.00 12.88 C ATOM 790 C PHE A 82 16.512 4.779 14.756 1.00 15.30 C ATOM 791 O PHE A 82 17.289 3.823 14.690 1.00 15.28 O ATOM 792 CB PHE A 82 14.543 5.085 13.248 1.00 12.77 C ATOM 793 CG PHE A 82 14.319 3.612 13.058 1.00 14.65 C ATOM 794 CD1 PHE A 82 14.482 3.028 11.813 1.00 15.04 C ATOM 795 CD2 PHE A 82 13.924 2.814 14.118 1.00 16.03 C ATOM 796 CE1 PHE A 82 14.272 1.678 11.633 1.00 17.79 C ATOM 797 CE2 PHE A 82 13.711 1.460 13.941 1.00 17.37 C ATOM 798 CZ PHE A 82 13.880 0.896 12.696 1.00 18.04 C ATOM 799 H PHE A 82 17.280 4.200 12.314 1.00 0.00 H ATOM 800 N ILE A 83 16.085 5.293 15.900 1.00 16.06 N ATOM 801 CA ILE A 83 16.410 4.679 17.173 1.00 18.23 C ATOM 802 C ILE A 83 15.136 4.560 17.991 1.00 17.07 C ATOM 803 O ILE A 83 14.209 5.356 17.841 1.00 18.76 O ATOM 804 CB ILE A 83 17.487 5.476 17.952 1.00 22.46 C ATOM 805 CG1 ILE A 83 16.940 6.814 18.435 1.00 27.19 C ATOM 806 CG2 ILE A 83 18.729 5.689 17.097 1.00 24.42 C ATOM 807 CD1 ILE A 83 16.539 6.817 19.897 1.00 31.65 C ATOM 808 H ILE A 83 15.504 6.156 15.885 1.00 0.00 H ATOM 809 N VAL A 84 15.091 3.542 18.840 1.00 18.67 N ATOM 810 CA VAL A 84 13.954 3.321 19.718 1.00 19.82 C ATOM 811 C VAL A 84 14.346 3.682 21.146 1.00 17.65 C ATOM 812 O VAL A 84 15.433 3.328 21.612 1.00 21.05 O ATOM 813 CB VAL A 84 13.472 1.856 19.650 1.00 22.81 C ATOM 814 CG1 VAL A 84 12.424 1.574 20.720 1.00 22.67 C ATOM 815 CG2 VAL A 84 12.923 1.545 18.265 1.00 23.43 C ATOM 816 H VAL A 84 15.894 2.882 18.879 1.00 0.00 H ATOM 817 N ASN A 85 13.453 4.401 21.821 1.00 15.89 N ATOM 818 CA ASN A 85 13.617 4.758 23.223 1.00 16.10 C ATOM 819 C ASN A 85 12.404 4.257 23.984 1.00 15.21 C ATOM 820 O ASN A 85 11.276 4.371 23.509 1.00 19.50 O ATOM 821 CB ASN A 85 13.733 6.276 23.379 1.00 18.98 C ATOM 822 CG ASN A 85 13.959 6.704 24.821 1.00 22.29 C ATOM 823 OD1 ASN A 85 14.812 6.153 25.513 1.00 25.88 O ATOM 824 ND2 ASN A 85 13.191 7.693 25.279 1.00 25.56 N ATOM 825 HD22 ASN A 85 12.481 8.131 24.658 1.00 0.00 H ATOM 826 HD21 ASN A 85 13.302 8.027 26.258 1.00 0.00 H ATOM 827 H ASN A 85 12.598 4.723 21.324 1.00 0.00 H ATOM 828 N THR A 86 12.637 3.698 25.161 1.00 11.36 N ATOM 829 CA THR A 86 11.555 3.188 25.991 1.00 10.76 C ATOM 830 C THR A 86 11.419 4.049 27.237 1.00 10.51 C ATOM 831 O THR A 86 12.388 4.271 27.965 1.00 11.31 O ATOM 832 CB THR A 86 11.807 1.726 26.374 1.00 11.61 C ATOM 833 OG1 THR A 86 11.912 0.939 25.182 1.00 11.81 O ATOM 834 CG2 THR A 86 10.675 1.182 27.235 1.00 12.31 C ATOM 835 HG1 THR A 86 12.075 -0.007 25.426 1.00 0.00 H ATOM 836 H THR A 86 13.617 3.621 25.501 1.00 0.00 H ATOM 837 N LEU A 87 10.206 4.538 27.465 1.00 10.86 N ATOM 838 CA LEU A 87 9.912 5.398 28.601 1.00 12.59 C ATOM 839 C LEU A 87 9.757 4.584 29.880 1.00 12.40 C ATOM 840 O LEU A 87 9.610 3.364 29.837 1.00 11.40 O ATOM 841 CB LEU A 87 8.627 6.185 28.339 1.00 13.75 C ATOM 842 CG LEU A 87 8.578 6.981 27.032 1.00 16.69 C ATOM 843 CD1 LEU A 87 7.263 7.735 26.924 1.00 17.85 C ATOM 844 CD2 LEU A 87 9.755 7.939 26.928 1.00 19.25 C ATOM 845 H LEU A 87 9.437 4.297 26.807 1.00 0.00 H ATOM 846 N LYS A 88 9.792 5.268 31.019 1.00 14.24 N ATOM 847 CA LYS A 88 9.631 4.613 32.315 1.00 14.56 C ATOM 848 C LYS A 88 8.328 3.824 32.405 1.00 15.26 C ATOM 849 O LYS A 88 8.278 2.773 33.049 1.00 16.13 O ATOM 850 CB LYS A 88 9.668 5.640 33.447 1.00 18.24 C ATOM 851 CG LYS A 88 11.003 6.335 33.618 1.00 21.74 C ATOM 852 CD LYS A 88 10.953 7.384 34.724 1.00 24.40 C ATOM 853 CE LYS A 88 10.490 8.747 34.215 1.00 27.91 C ATOM 854 NZ LYS A 88 9.037 8.814 33.891 1.00 27.84 N ATOM 855 HZ1 LYS A 88 8.816 8.119 33.150 1.00 0.00 H ATOM 856 HZ2 LYS A 88 8.483 8.601 34.745 1.00 0.00 H ATOM 857 HZ3 LYS A 88 8.802 9.769 33.553 1.00 0.00 H ATOM 858 H LYS A 88 9.938 6.297 30.987 1.00 0.00 H ATOM 859 N ASP A 89 7.278 4.331 31.761 1.00 16.07 N ATOM 860 CA ASP A 89 5.964 3.697 31.831 1.00 16.39 C ATOM 861 C ASP A 89 5.817 2.510 30.879 1.00 15.96 C ATOM 862 O ASP A 89 4.796 1.827 30.894 1.00 16.68 O ATOM 863 CB ASP A 89 4.834 4.719 31.619 1.00 19.96 C ATOM 864 CG ASP A 89 4.924 5.451 30.288 1.00 22.26 C ATOM 865 OD1 ASP A 89 5.225 4.820 29.256 1.00 19.39 O ATOM 866 OD2 ASP A 89 4.666 6.674 30.275 1.00 27.43 O ATOM 867 H ASP A 89 7.396 5.196 31.197 1.00 0.00 H ATOM 868 N GLY A 90 6.840 2.269 30.061 1.00 13.08 N ATOM 869 CA GLY A 90 6.872 1.109 29.185 1.00 13.84 C ATOM 870 C GLY A 90 6.611 1.417 27.723 1.00 13.90 C ATOM 871 O GLY A 90 6.873 0.588 26.850 1.00 15.09 O ATOM 872 H GLY A 90 7.641 2.932 30.048 1.00 0.00 H ATOM 873 N ARG A 91 6.083 2.603 27.447 1.00 15.08 N ATOM 874 CA ARG A 91 5.816 2.999 26.072 1.00 15.94 C ATOM 875 C ARG A 91 7.108 3.179 25.298 1.00 15.12 C ATOM 876 O ARG A 91 8.112 3.646 25.837 1.00 14.31 O ATOM 877 CB ARG A 91 5.017 4.295 26.027 1.00 18.12 C ATOM 878 CG ARG A 91 3.554 4.124 26.374 1.00 21.05 C ATOM 879 CD ARG A 91 2.837 5.457 26.326 1.00 22.85 C ATOM 880 NE ARG A 91 3.422 6.409 27.266 1.00 23.46 N ATOM 881 CZ ARG A 91 3.073 7.687 27.361 1.00 27.21 C ATOM 882 NH1 ARG A 91 3.670 8.466 28.251 1.00 28.00 N ATOM 883 NH2 ARG A 91 2.136 8.192 26.568 1.00 28.80 N ATOM 884 HE ARG A 91 4.164 6.062 27.906 1.00 0.00 H ATOM 885 HH12 ARG A 91 3.400 9.467 28.329 1.00 0.00 H ATOM 886 HH11 ARG A 91 4.408 8.076 28.871 1.00 0.00 H ATOM 887 HH22 ARG A 91 1.870 9.194 26.650 1.00 0.00 H ATOM 888 HH21 ARG A 91 1.668 7.586 25.864 1.00 0.00 H ATOM 889 H ARG A 91 5.857 3.258 28.223 1.00 0.00 H ATOM 890 N ARG A 92 7.073 2.805 24.027 1.00 16.13 N ATOM 891 CA ARG A 92 8.212 3.010 23.156 1.00 16.85 C ATOM 892 C ARG A 92 7.996 4.170 22.214 1.00 14.84 C ATOM 893 O ARG A 92 6.892 4.390 21.717 1.00 17.25 O ATOM 894 CB ARG A 92 8.529 1.744 22.376 1.00 21.15 C ATOM 895 CG ARG A 92 9.601 0.941 23.063 1.00 25.27 C ATOM 896 CD ARG A 92 9.413 -0.522 22.889 1.00 24.97 C ATOM 897 NE ARG A 92 10.321 -1.265 23.752 1.00 20.39 N ATOM 898 CZ ARG A 92 10.481 -2.579 23.694 1.00 18.11 C ATOM 899 NH1 ARG A 92 9.791 -3.291 22.815 1.00 20.55 N ATOM 900 NH2 ARG A 92 11.331 -3.179 24.509 1.00 15.48 N ATOM 901 HE ARG A 92 10.875 -0.734 24.454 1.00 0.00 H ATOM 902 HH12 ARG A 92 9.916 -4.322 22.769 1.00 0.00 H ATOM 903 HH11 ARG A 92 9.125 -2.818 22.171 1.00 0.00 H ATOM 904 HH22 ARG A 92 11.456 -4.210 24.463 1.00 0.00 H ATOM 905 HH21 ARG A 92 11.875 -2.620 25.197 1.00 0.00 H ATOM 906 H ARG A 92 6.214 2.357 23.649 1.00 0.00 H ATOM 907 N VAL A 93 9.055 4.934 21.988 1.00 13.66 N ATOM 908 CA VAL A 93 9.017 6.005 21.010 1.00 13.94 C ATOM 909 C VAL A 93 10.123 5.778 19.995 1.00 13.39 C ATOM 910 O VAL A 93 11.224 5.337 20.333 1.00 15.48 O ATOM 911 CB VAL A 93 9.151 7.393 21.662 1.00 15.12 C ATOM 912 CG1 VAL A 93 7.962 7.667 22.576 1.00 16.41 C ATOM 913 CG2 VAL A 93 10.448 7.501 22.426 1.00 14.07 C ATOM 914 H VAL A 93 9.931 4.762 22.522 1.00 0.00 H ATOM 915 N VAL A 94 9.805 6.072 18.745 1.00 12.76 N ATOM 916 CA VAL A 94 10.727 5.879 17.637 1.00 11.92 C ATOM 917 C VAL A 94 11.213 7.243 17.168 1.00 12.02 C ATOM 918 O VAL A 94 10.418 8.069 16.720 1.00 14.64 O ATOM 919 CB VAL A 94 10.046 5.139 16.471 1.00 12.97 C ATOM 920 CG1 VAL A 94 11.029 4.898 15.342 1.00 13.81 C ATOM 921 CG2 VAL A 94 9.450 3.822 16.953 1.00 16.02 C ATOM 922 H VAL A 94 8.859 6.456 18.547 1.00 0.00 H ATOM 923 N ILE A 95 12.517 7.483 17.287 1.00 12.08 N ATOM 924 CA ILE A 95 13.093 8.752 16.856 1.00 12.28 C ATOM 925 C ILE A 95 13.654 8.596 15.450 1.00 11.93 C ATOM 926 O ILE A 95 14.531 7.764 15.208 1.00 12.80 O ATOM 927 CB ILE A 95 14.208 9.242 17.803 1.00 14.77 C ATOM 928 CG1 ILE A 95 13.775 9.130 19.269 1.00 17.32 C ATOM 929 CG2 ILE A 95 14.607 10.671 17.460 1.00 17.87 C ATOM 930 CD1 ILE A 95 12.530 9.915 19.616 1.00 20.87 C ATOM 931 H ILE A 95 13.136 6.753 17.694 1.00 0.00 H ATOM 932 N LEU A 96 13.126 9.392 14.526 1.00 10.84 N ATOM 933 CA LEU A 96 13.548 9.349 13.132 1.00 11.67 C ATOM 934 C LEU A 96 14.766 10.246 12.939 1.00 10.37 C ATOM 935 O LEU A 96 14.679 11.463 13.103 1.00 12.80 O ATOM 936 CB LEU A 96 12.402 9.795 12.223 1.00 11.83 C ATOM 937 CG LEU A 96 11.099 9.005 12.371 1.00 11.21 C ATOM 938 CD1 LEU A 96 10.014 9.641 11.518 1.00 12.41 C ATOM 939 CD2 LEU A 96 11.287 7.531 12.009 1.00 12.79 C ATOM 940 H LEU A 96 12.387 10.068 14.807 1.00 0.00 H ATOM 941 N MET A 97 15.899 9.633 12.599 1.00 11.84 N ATOM 942 CA MET A 97 17.178 10.338 12.526 1.00 11.96 C ATOM 943 C MET A 97 17.538 10.744 11.104 1.00 12.27 C ATOM 944 O MET A 97 18.090 11.820 10.882 1.00 13.46 O ATOM 945 CB MET A 97 18.295 9.462 13.090 1.00 13.91 C ATOM 946 CG MET A 97 18.082 9.024 14.530 1.00 14.80 C ATOM 947 SD MET A 97 17.864 10.391 15.690 1.00 19.10 S ATOM 948 CE MET A 97 19.407 11.283 15.493 1.00 22.43 C ATOM 949 H MET A 97 15.873 8.617 12.378 1.00 0.00 H ATOM 950 N GLU A 98 17.242 9.863 10.154 1.00 12.03 N ATOM 951 CA GLU A 98 17.486 10.118 8.736 1.00 12.51 C ATOM 952 C GLU A 98 16.276 9.660 7.947 1.00 10.15 C ATOM 953 O GLU A 98 15.817 8.530 8.112 1.00 12.05 O ATOM 954 CB GLU A 98 18.720 9.365 8.241 1.00 14.18 C ATOM 955 CG GLU A 98 20.048 9.951 8.685 1.00 17.26 C ATOM 956 CD GLU A 98 21.227 9.139 8.186 1.00 20.72 C ATOM 957 OE1 GLU A 98 21.001 8.145 7.463 1.00 20.64 O ATOM 958 OE2 GLU A 98 22.378 9.494 8.517 1.00 24.41 O ATOM 959 H GLU A 98 16.819 8.954 10.431 1.00 0.00 H ATOM 960 N LEU A 99 15.777 10.536 7.087 1.00 12.37 N ATOM 961 CA LEU A 99 14.530 10.326 6.380 1.00 15.05 C ATOM 962 C LEU A 99 14.662 10.899 4.975 1.00 13.90 C ATOM 963 O LEU A 99 15.199 11.988 4.798 1.00 17.42 O ATOM 964 CB LEU A 99 13.429 11.055 7.157 1.00 20.22 C ATOM 965 CG LEU A 99 11.969 11.003 6.735 1.00 21.72 C ATOM 966 CD1 LEU A 99 11.101 11.332 7.939 1.00 21.88 C ATOM 967 CD2 LEU A 99 11.709 11.985 5.617 1.00 21.11 C ATOM 968 H LEU A 99 16.305 11.415 6.911 1.00 0.00 H ATOM 969 N GLU A 100 14.186 10.155 3.982 1.00 12.16 N ATOM 970 CA GLU A 100 14.132 10.636 2.606 1.00 10.88 C ATOM 971 C GLU A 100 12.684 10.695 2.159 1.00 10.91 C ATOM 972 O GLU A 100 11.960 9.719 2.308 1.00 13.68 O ATOM 973 CB GLU A 100 14.906 9.691 1.685 1.00 13.40 C ATOM 974 CG GLU A 100 14.746 9.993 0.205 1.00 16.60 C ATOM 975 CD GLU A 100 15.460 8.985 -0.677 1.00 18.45 C ATOM 976 OE1 GLU A 100 15.433 9.157 -1.912 1.00 20.31 O ATOM 977 OE2 GLU A 100 16.048 8.023 -0.135 1.00 19.19 O ATOM 978 H GLU A 100 13.840 9.197 4.193 1.00 0.00 H ATOM 979 N VAL A 101 12.264 11.832 1.612 1.00 10.78 N ATOM 980 CA VAL A 101 10.938 11.940 1.009 1.00 11.25 C ATOM 981 C VAL A 101 11.004 11.388 -0.415 1.00 10.85 C ATOM 982 O VAL A 101 11.685 11.947 -1.273 1.00 15.59 O ATOM 983 CB VAL A 101 10.439 13.398 0.997 1.00 13.71 C ATOM 984 CG1 VAL A 101 9.056 13.491 0.367 1.00 17.99 C ATOM 985 CG2 VAL A 101 10.407 13.945 2.413 1.00 15.96 C ATOM 986 H VAL A 101 12.892 12.661 1.614 1.00 0.00 H ATOM 987 N LEU A 102 10.312 10.274 -0.650 1.00 10.46 N ATOM 988 CA LEU A 102 10.288 9.642 -1.967 1.00 11.86 C ATOM 989 C LEU A 102 9.227 10.249 -2.870 1.00 11.84 C ATOM 990 O LEU A 102 9.436 10.388 -4.072 1.00 14.25 O ATOM 991 CB LEU A 102 10.023 8.146 -1.832 1.00 12.27 C ATOM 992 CG LEU A 102 11.062 7.340 -1.056 1.00 12.96 C ATOM 993 CD1 LEU A 102 10.645 5.880 -1.007 1.00 13.54 C ATOM 994 CD2 LEU A 102 12.442 7.488 -1.676 1.00 14.91 C ATOM 995 H LEU A 102 9.773 9.841 0.127 1.00 0.00 H ATOM 996 N LYS A 103 8.085 10.589 -2.282 1.00 10.50 N ATOM 997 CA LYS A 103 6.995 11.233 -3.002 1.00 11.69 C ATOM 998 C LYS A 103 6.399 12.325 -2.134 1.00 12.10 C ATOM 999 O LYS A 103 6.060 12.088 -0.978 1.00 12.36 O ATOM 1000 CB LYS A 103 5.906 10.225 -3.361 1.00 16.36 C ATOM 1001 CG LYS A 103 6.347 9.160 -4.348 1.00 21.28 C ATOM 1002 CD LYS A 103 5.160 8.403 -4.918 1.00 25.24 C ATOM 1003 CE LYS A 103 4.439 9.218 -5.980 1.00 29.71 C ATOM 1004 NZ LYS A 103 5.193 9.265 -7.264 1.00 29.66 N ATOM 1005 HZ1 LYS A 103 6.125 9.698 -7.102 1.00 0.00 H ATOM 1006 HZ2 LYS A 103 5.317 8.298 -7.627 1.00 0.00 H ATOM 1007 HZ3 LYS A 103 4.662 9.831 -7.956 1.00 0.00 H ATOM 1008 H LYS A 103 7.965 10.388 -1.269 1.00 0.00 H ATOM 1009 N SER A 104 6.269 13.520 -2.697 1.00 13.76 N ATOM 1010 CA SER A 104 5.723 14.652 -1.962 1.00 13.11 C ATOM 1011 C SER A 104 4.258 14.430 -1.615 1.00 11.65 C ATOM 1012 O SER A 104 3.570 13.622 -2.245 1.00 11.60 O ATOM 1013 CB SER A 104 5.830 15.920 -2.798 1.00 15.16 C ATOM 1014 OG SER A 104 4.867 15.891 -3.837 1.00 16.49 O ATOM 1015 HG SER A 104 4.941 16.717 -4.377 1.00 0.00 H ATOM 1016 H SER A 104 6.564 13.651 -3.686 1.00 0.00 H ATOM 1017 N ALA A 105 3.779 15.178 -0.629 1.00 12.44 N ATOM 1018 CA ALA A 105 2.385 15.109 -0.227 1.00 12.75 C ATOM 1019 C ALA A 105 1.493 15.395 -1.421 1.00 12.14 C ATOM 1020 O ALA A 105 0.472 14.747 -1.617 1.00 12.63 O ATOM 1021 CB ALA A 105 2.107 16.108 0.878 1.00 13.14 C ATOM 1022 H ALA A 105 4.418 15.830 -0.131 1.00 0.00 H ATOM 1023 N GLU A 106 1.903 16.365 -2.226 1.00 12.73 N ATOM 1024 CA GLU A 106 1.104 16.821 -3.347 1.00 13.45 C ATOM 1025 C GLU A 106 1.037 15.765 -4.455 1.00 13.85 C ATOM 1026 O GLU A 106 0.068 15.710 -5.206 1.00 15.35 O ATOM 1027 CB GLU A 106 1.667 18.144 -3.880 1.00 15.09 C ATOM 1028 CG GLU A 106 1.557 19.328 -2.899 1.00 15.14 C ATOM 1029 CD GLU A 106 2.547 19.268 -1.737 1.00 16.91 C ATOM 1030 OE1 GLU A 106 3.636 18.669 -1.886 1.00 17.11 O ATOM 1031 OE2 GLU A 106 2.229 19.828 -0.665 1.00 18.13 O ATOM 1032 H GLU A 106 2.825 16.812 -2.048 1.00 0.00 H ATOM 1033 N ALA A 107 2.064 14.925 -4.543 1.00 13.19 N ATOM 1034 CA ALA A 107 2.127 13.885 -5.571 1.00 14.42 C ATOM 1035 C ALA A 107 1.383 12.607 -5.172 1.00 14.78 C ATOM 1036 O ALA A 107 1.126 11.750 -6.013 1.00 19.42 O ATOM 1037 CB ALA A 107 3.581 13.559 -5.898 1.00 16.46 C ATOM 1038 H ALA A 107 2.845 15.009 -3.862 1.00 0.00 H ATOM 1039 N VAL A 108 1.047 12.479 -3.893 1.00 11.49 N ATOM 1040 CA VAL A 108 0.335 11.308 -3.384 1.00 11.56 C ATOM 1041 C VAL A 108 -1.118 11.685 -3.107 1.00 13.11 C ATOM 1042 O VAL A 108 -2.041 11.125 -3.704 1.00 16.16 O ATOM 1043 CB VAL A 108 1.000 10.769 -2.101 1.00 11.62 C ATOM 1044 CG1 VAL A 108 0.269 9.538 -1.589 1.00 12.50 C ATOM 1045 CG2 VAL A 108 2.463 10.449 -2.360 1.00 12.77 C ATOM 1046 H VAL A 108 1.300 13.239 -3.230 1.00 0.00 H ATOM 1047 N GLY A 109 -1.314 12.628 -2.191 1.00 11.87 N ATOM 1048 CA GLY A 109 -2.578 13.339 -2.076 1.00 13.71 C ATOM 1049 C GLY A 109 -3.663 12.691 -1.237 1.00 12.29 C ATOM 1050 O GLY A 109 -4.694 13.313 -0.970 1.00 12.63 O ATOM 1051 H GLY A 109 -0.541 12.865 -1.537 1.00 0.00 H ATOM 1052 N VAL A 110 -3.445 11.449 -0.820 1.00 13.20 N ATOM 1053 CA VAL A 110 -4.448 10.717 -0.056 1.00 14.86 C ATOM 1054 C VAL A 110 -3.765 9.755 0.893 1.00 12.32 C ATOM 1055 O VAL A 110 -2.627 9.355 0.659 1.00 11.73 O ATOM 1056 CB VAL A 110 -5.391 9.901 -0.979 1.00 16.54 C ATOM 1057 CG1 VAL A 110 -6.153 10.811 -1.927 1.00 19.70 C ATOM 1058 CG2 VAL A 110 -4.613 8.847 -1.764 1.00 17.97 C ATOM 1059 H VAL A 110 -2.539 10.989 -1.043 1.00 0.00 H ATOM 1060 N LYS A 111 -4.468 9.366 1.952 1.00 13.02 N ATOM 1061 CA LYS A 111 -4.015 8.273 2.798 1.00 12.80 C ATOM 1062 C LYS A 111 -4.118 6.980 2.000 1.00 13.22 C ATOM 1063 O LYS A 111 -5.167 6.661 1.444 1.00 17.59 O ATOM 1064 CB LYS A 111 -4.853 8.170 4.075 1.00 14.65 C ATOM 1065 CG LYS A 111 -4.502 6.956 4.926 1.00 15.89 C ATOM 1066 CD LYS A 111 -5.075 7.045 6.333 1.00 21.32 C ATOM 1067 CE LYS A 111 -6.587 6.955 6.338 1.00 24.71 C ATOM 1068 NZ LYS A 111 -7.123 6.836 7.724 1.00 26.66 N ATOM 1069 HZ1 LYS A 111 -6.740 5.978 8.170 1.00 0.00 H ATOM 1070 HZ2 LYS A 111 -6.841 7.671 8.276 1.00 0.00 H ATOM 1071 HZ3 LYS A 111 -8.161 6.777 7.689 1.00 0.00 H ATOM 1072 H LYS A 111 -5.359 9.852 2.180 1.00 0.00 H ATOM 1073 N ILE A 112 -3.013 6.252 1.935 1.00 10.76 N ATOM 1074 CA ILE A 112 -2.946 4.994 1.207 1.00 11.29 C ATOM 1075 C ILE A 112 -3.535 3.849 2.029 1.00 11.62 C ATOM 1076 O ILE A 112 -3.189 3.656 3.195 1.00 13.07 O ATOM 1077 CB ILE A 112 -1.485 4.680 0.837 1.00 11.41 C ATOM 1078 CG1 ILE A 112 -0.964 5.720 -0.156 1.00 11.79 C ATOM 1079 CG2 ILE A 112 -1.351 3.287 0.236 1.00 13.66 C ATOM 1080 CD1 ILE A 112 0.537 5.735 -0.290 1.00 13.03 C ATOM 1081 H ILE A 112 -2.160 6.593 2.423 1.00 0.00 H ATOM 1082 N GLY A 113 -4.432 3.090 1.415 1.00 13.14 N ATOM 1083 CA GLY A 113 -4.991 1.920 2.058 1.00 15.43 C ATOM 1084 C GLY A 113 -5.914 2.254 3.212 1.00 16.34 C ATOM 1085 O GLY A 113 -6.441 3.364 3.304 1.00 16.63 O ATOM 1086 H GLY A 113 -4.740 3.340 0.454 1.00 0.00 H ATOM 1087 N ASN A 114 -6.109 1.276 4.091 1.00 16.71 N ATOM 1088 CA ASN A 114 -6.965 1.442 5.258 1.00 17.88 C ATOM 1089 C ASN A 114 -6.270 0.919 6.511 1.00 15.85 C ATOM 1090 O ASN A 114 -6.746 -0.019 7.150 1.00 16.81 O ATOM 1091 CB ASN A 114 -8.299 0.720 5.044 1.00 21.64 C ATOM 1092 CG ASN A 114 -9.333 1.071 6.103 1.00 24.21 C ATOM 1093 OD1 ASN A 114 -9.202 2.070 6.811 1.00 25.12 O ATOM 1094 ND2 ASN A 114 -10.369 0.248 6.211 1.00 28.27 N ATOM 1095 HD22 ASN A 114 -10.439 -0.584 5.592 1.00 0.00 H ATOM 1096 HD21 ASN A 114 -11.111 0.436 6.915 1.00 0.00 H ATOM 1097 H ASN A 114 -5.635 0.363 3.941 1.00 0.00 H ATOM 1098 N PRO A 115 -5.138 1.531 6.871 1.00 13.92 N ATOM 1099 CA PRO A 115 -4.375 1.081 8.036 1.00 13.80 C ATOM 1100 C PRO A 115 -5.138 1.289 9.342 1.00 14.77 C ATOM 1101 O PRO A 115 -5.912 2.241 9.455 1.00 16.12 O ATOM 1102 CB PRO A 115 -3.127 1.965 7.985 1.00 12.59 C ATOM 1103 CG PRO A 115 -3.597 3.224 7.310 1.00 12.53 C ATOM 1104 CD PRO A 115 -4.568 2.752 6.273 1.00 14.06 C ATOM 1105 N VAL A 116 -4.916 0.408 10.314 1.00 14.87 N ATOM 1106 CA VAL A 116 -5.589 0.504 11.606 1.00 16.31 C ATOM 1107 C VAL A 116 -4.556 0.766 12.694 1.00 14.57 C ATOM 1108 O VAL A 116 -3.399 0.393 12.544 1.00 14.62 O ATOM 1109 CB VAL A 116 -6.384 -0.777 11.939 1.00 17.61 C ATOM 1110 CG1 VAL A 116 -7.481 -0.996 10.915 1.00 20.83 C ATOM 1111 CG2 VAL A 116 -5.463 -1.991 12.008 1.00 18.25 C ATOM 1112 H VAL A 116 -4.245 -0.370 10.149 1.00 0.00 H ATOM 1113 N PRO A 117 -4.964 1.416 13.793 1.00 15.70 N ATOM 1114 CA PRO A 117 -4.006 1.718 14.862 1.00 16.64 C ATOM 1115 C PRO A 117 -3.296 0.486 15.409 1.00 16.01 C ATOM 1116 O PRO A 117 -3.930 -0.530 15.707 1.00 17.30 O ATOM 1117 CB PRO A 117 -4.883 2.353 15.944 1.00 17.99 C ATOM 1118 CG PRO A 117 -6.039 2.910 15.208 1.00 19.52 C ATOM 1119 CD PRO A 117 -6.303 1.947 14.097 1.00 17.96 C ATOM 1120 N TYR A 118 -1.976 0.583 15.522 1.00 15.35 N ATOM 1121 CA TYR A 118 -1.183 -0.481 16.113 1.00 17.10 C ATOM 1122 C TYR A 118 -1.372 -0.466 17.618 1.00 20.17 C ATOM 1123 O TYR A 118 -1.351 0.592 18.241 1.00 23.54 O ATOM 1124 CB TYR A 118 0.296 -0.309 15.773 1.00 18.73 C ATOM 1125 CG TYR A 118 1.165 -1.394 16.361 1.00 20.51 C ATOM 1126 CD1 TYR A 118 1.290 -2.625 15.734 1.00 21.50 C ATOM 1127 CD2 TYR A 118 1.851 -1.191 17.549 1.00 21.86 C ATOM 1128 CE1 TYR A 118 2.079 -3.621 16.272 1.00 24.01 C ATOM 1129 CE2 TYR A 118 2.641 -2.179 18.091 1.00 24.60 C ATOM 1130 CZ TYR A 118 2.751 -3.389 17.452 1.00 25.50 C ATOM 1131 OH TYR A 118 3.535 -4.369 18.006 1.00 29.46 O ATOM 1132 HH TYR A 118 3.511 -5.174 17.430 1.00 0.00 H ATOM 1133 H TYR A 118 -1.499 1.441 15.179 1.00 0.00 H ATOM 1134 N ASN A 119 -1.562 -1.651 18.187 1.00 22.90 N ATOM 1135 CA ASN A 119 -1.795 -1.806 19.613 1.00 26.81 C ATOM 1136 C ASN A 119 -0.533 -2.286 20.316 1.00 26.62 C ATOM 1137 O ASN A 119 -0.173 -3.457 20.207 1.00 28.62 O ATOM 1138 CB ASN A 119 -2.921 -2.818 19.852 1.00 30.56 C ATOM 1139 CG ASN A 119 -4.199 -2.460 19.113 1.00 33.70 C ATOM 1140 OD1 ASN A 119 -4.756 -1.379 19.299 1.00 35.32 O ATOM 1141 ND2 ASN A 119 -4.669 -3.371 18.266 1.00 34.99 N ATOM 1142 HD22 ASN A 119 -4.166 -4.272 18.140 1.00 0.00 H ATOM 1143 HD21 ASN A 119 -5.540 -3.182 17.730 1.00 0.00 H ATOM 1144 H ASN A 119 -1.543 -2.501 17.589 1.00 0.00 H ATOM 1145 N GLU A 120 0.141 -1.378 21.020 1.00 30.04 N ATOM 1146 CA GLU A 120 1.260 -1.738 21.893 1.00 32.50 C ATOM 1147 C GLU A 120 2.331 -2.556 21.174 1.00 37.09 C ATOM 1148 O GLU A 120 3.505 -2.530 21.546 1.00 41.62 O ATOM 1149 CB GLU A 120 0.736 -2.511 23.108 1.00 31.30 C ATOM 1150 CG GLU A 120 1.805 -3.108 23.993 1.00 32.14 C ATOM 1151 CD GLU A 120 1.209 -3.867 25.154 1.00 28.70 C ATOM 1152 OE1 GLU A 120 0.524 -4.883 24.905 1.00 22.13 O ATOM 1153 OE2 GLU A 120 1.411 -3.438 26.309 1.00 31.87 O ATOM 1154 H GLU A 120 -0.137 -0.379 20.947 1.00 0.00 H TER 1155 GLU A 120 HETATM 1156 O HOH 1 3.904 -3.612 0.283 1.00 11.79 O HETATM 1157 O HOH 2 -1.335 4.861 4.679 1.00 12.02 O HETATM 1158 O HOH 3 11.448 17.443 15.923 1.00 14.58 O HETATM 1159 O HOH 4 2.732 -3.423 10.895 1.00 15.41 O HETATM 1160 O HOH 5 13.343 5.862 29.991 1.00 16.02 O HETATM 1161 O HOH 6 -1.386 14.117 -6.771 1.00 17.89 O HETATM 1162 O HOH 7 -2.247 4.905 15.366 1.00 19.10 O HETATM 1163 O HOH 8 7.212 13.775 -5.478 1.00 18.63 O HETATM 1164 O HOH 9 17.960 2.491 11.656 1.00 19.36 O HETATM 1165 O HOH 10 -7.301 3.951 7.808 1.00 22.07 O HETATM 1166 O HOH 11 -1.657 3.296 17.516 1.00 23.02 O HETATM 1167 O HOH 12 7.119 7.393 31.504 1.00 20.34 O HETATM 1168 O HOH 13 19.083 16.223 15.833 1.00 25.28 O HETATM 1169 O HOH 14 4.285 4.344 22.147 1.00 20.55 O HETATM 1170 O HOH 15 15.231 27.133 2.046 1.00 23.54 O HETATM 1171 O HOH 16 13.937 11.094 -3.030 1.00 21.97 O HETATM 1172 O HOH 17 5.604 -0.788 24.918 1.00 21.52 O HETATM 1173 O HOH 18 15.686 0.614 -0.424 1.00 27.86 O HETATM 1174 O HOH 19 5.852 -7.620 10.726 1.00 25.51 O HETATM 1175 O HOH 20 0.071 17.840 3.272 1.00 23.26 O HETATM 1176 O HOH 21 14.303 26.127 7.736 1.00 23.12 O HETATM 1177 O HOH 22 4.617 1.226 22.989 1.00 24.27 O HETATM 1178 O HOH 23 1.465 18.967 23.242 1.00 24.65 O HETATM 1179 O HOH 24 5.218 20.266 6.988 1.00 23.82 O HETATM 1180 O HOH 25 13.643 23.767 1.242 1.00 24.18 O HETATM 1181 O HOH 26 1.653 18.241 7.475 1.00 24.54 O HETATM 1182 O HOH 27 7.251 22.175 19.608 1.00 23.18 O HETATM 1183 O HOH 28 -0.116 17.372 9.646 1.00 30.67 O HETATM 1184 O HOH 29 -7.367 10.295 1.887 1.00 28.09 O HETATM 1185 O HOH 30 13.347 24.130 14.489 1.00 25.11 O HETATM 1186 O HOH 31 7.316 7.054 36.482 1.00 31.76 O HETATM 1187 O HOH 32 2.633 -0.457 -5.865 1.00 33.22 O HETATM 1188 O HOH 33 0.172 -5.800 12.977 1.00 29.75 O HETATM 1189 O HOH 34 7.390 27.080 8.615 1.00 34.67 O HETATM 1190 O HOH 35 1.371 -1.967 -8.288 1.00 26.20 O HETATM 1191 O HOH 36 -0.051 19.518 0.981 1.00 40.32 O HETATM 1192 O HOH 37 -3.262 12.459 5.999 1.00 27.11 O HETATM 1193 O HOH 38 -4.406 -1.098 3.763 1.00 28.59 O HETATM 1194 O HOH 39 2.349 -5.470 -3.658 1.00 34.19 O HETATM 1195 O HOH 40 8.587 16.828 -0.691 1.00 32.23 O HETATM 1196 O HOH 41 -5.567 -2.416 8.112 1.00 24.90 O HETATM 1197 O HOH 42 5.729 18.971 -0.270 1.00 31.55 O HETATM 1198 O HOH 43 15.868 6.995 -3.587 1.00 39.74 O HETATM 1199 O HOH 44 -6.453 -0.929 16.536 1.00 28.08 O HETATM 1200 O HOH 45 11.314 -2.000 19.785 1.00 33.95 O HETATM 1201 O HOH 46 5.537 23.844 21.872 1.00 34.63 O HETATM 1202 O HOH 47 3.580 20.219 1.688 1.00 25.85 O HETATM 1203 O HOH 48 -1.100 19.274 12.758 1.00 32.00 O HETATM 1204 O HOH 49 4.901 19.657 -4.152 1.00 32.32 O HETATM 1205 O HOH 50 7.623 -2.186 21.101 1.00 40.63 O HETATM 1206 O HOH 51 0.451 6.957 24.156 1.00 32.19 O HETATM 1207 O HOH 52 15.227 7.020 28.442 1.00 32.19 O HETATM 1208 O HOH 53 0.018 -7.294 -2.361 1.00 35.48 O HETATM 1209 O HOH 54 13.977 26.529 15.738 1.00 36.08 O HETATM 1210 O HOH 55 4.955 17.555 -5.883 1.00 27.70 O HETATM 1211 O HOH 56 11.957 -5.882 23.841 1.00 30.51 O HETATM 1212 O HOH 57 1.003 13.569 14.979 1.00 27.45 O HETATM 1213 O HOH 58 6.516 8.011 34.080 1.00 29.08 O HETATM 1214 O HOH 59 13.945 3.640 -2.108 1.00 29.42 O HETATM 1215 O HOH 60 -3.962 6.558 16.566 1.00 35.72 O HETATM 1216 O HOH 61 20.333 3.985 3.442 1.00 29.54 O HETATM 1217 O HOH 62 7.328 27.041 4.605 1.00 34.87 O HETATM 1218 O HOH 63 8.042 24.582 20.264 1.00 31.92 O HETATM 1219 O HOH 64 10.351 -5.930 22.267 1.00 32.33 O HETATM 1220 O HOH 65 -1.147 12.716 15.600 1.00 46.19 O HETATM 1221 O HOH 66 1.471 -6.136 10.814 1.00 31.12 O HETATM 1222 O HOH 67 6.345 23.618 11.577 1.00 27.41 O HETATM 1223 O HOH 68 21.459 13.710 17.880 1.00 40.29 O HETATM 1224 O HOH 69 1.644 12.124 -8.829 1.00 44.92 O HETATM 1225 O HOH 70 20.014 -0.184 8.453 1.00 37.53 O HETATM 1226 O HOH 71 -5.647 10.759 6.449 1.00 33.27 O HETATM 1227 O HOH 72 7.952 18.702 -2.013 1.00 33.22 O HETATM 1228 O HOH 73 6.858 16.309 -6.381 1.00 35.54 O HETATM 1229 O HOH 74 -3.433 15.008 9.259 1.00 43.80 O HETATM 1230 O HOH 75 11.665 9.506 -5.187 1.00 40.55 O HETATM 1231 O HOH 76 -0.345 9.292 23.056 1.00 41.50 O HETATM 1232 O HOH 77 6.777 11.834 -7.627 1.00 36.85 O HETATM 1233 O HOH 78 -1.349 16.017 0.064 1.00 23.14 O HETATM 1234 O HOH 79 -3.317 -4.363 14.542 1.00 29.83 O HETATM 1235 O HOH 80 13.507 28.107 0.042 1.00 32.74 O HETATM 1236 O HOH 81 -0.489 8.697 -6.982 1.00 38.88 O HETATM 1237 O HOH 82 -2.531 12.563 -5.732 1.00 38.27 O HETATM 1238 O HOH 83 -1.153 19.322 23.814 1.00 35.42 O HETATM 1239 O HOH 84 19.961 3.124 14.383 1.00 33.83 O HETATM 1240 O HOH 85 17.807 -4.904 13.834 1.00 30.68 O HETATM 1241 O HOH 86 2.663 -8.069 10.021 1.00 40.06 O HETATM 1242 O HOH 87 20.458 4.312 0.495 1.00 40.13 O HETATM 1243 O HOH 88 13.204 30.070 1.684 1.00 42.72 O HETATM 1244 O HOH 89 -3.911 3.678 19.182 1.00 37.20 O HETATM 1245 O HOH 90 2.974 10.385 -8.304 1.00 41.67 O HETATM 1246 O HOH 91 13.691 20.122 21.579 1.00 38.51 O HETATM 1247 O HOH 92 -5.645 7.071 14.601 1.00 41.96 O HETATM 1248 O HOH 93 7.387 -8.576 12.472 1.00 37.63 O HETATM 1249 O HOH 94 -7.845 6.018 15.502 1.00 43.88 O HETATM 1250 O HOH 95 12.403 4.507 -4.238 1.00 41.37 O HETATM 1251 O HOH 96 -5.739 4.970 18.522 1.00 42.89 O HETATM 1252 O HOH 97 2.860 1.185 28.780 1.00 44.89 O HETATM 1253 O HOH 98 6.646 29.804 7.778 1.00 43.49 O HETATM 1254 O HOH 99 -3.496 9.229 16.872 1.00 40.44 O HETATM 1255 O HOH 100 16.195 2.565 9.155 1.00 27.67 O HETATM 1256 O HOH 101 3.127 20.962 -6.073 1.00 37.41 O HETATM 1257 O HOH 102 -3.493 -6.569 14.943 1.00 30.30 O HETATM 1258 O HOH 103 15.134 24.010 12.459 1.00 37.20 O HETATM 1259 O HOH 104 5.993 18.409 26.385 1.00 37.49 O HETATM 1260 O HOH 105 22.080 2.660 -0.335 1.00 43.03 O HETATM 1261 O HOH 106 -5.229 7.372 10.224 1.00 27.92 O HETATM 1262 O HOH 107 17.451 -5.715 7.318 1.00 52.02 O HETATM 1263 O HOH 108 16.092 -7.051 9.024 1.00 43.76 O HETATM 1264 O HOH 109 18.168 1.572 9.120 1.00 35.43 O HETATM 1265 O HOH 110 -1.686 -4.021 16.616 1.00 37.37 O HETATM 1266 O HOH 111 10.237 8.180 30.839 1.00 28.22 O HETATM 1267 O HOH 112 10.005 13.990 -3.671 1.00 44.86 O HETATM 1268 O HOH 113 16.704 -7.063 16.683 1.00 34.04 O HETATM 1269 O HOH 114 16.665 -7.373 14.409 1.00 36.49 O HETATM 1270 O HOH 115 8.303 9.370 30.750 1.00 52.42 O HETATM 1271 O HOH 116 21.874 5.319 14.943 1.00 39.63 O HETATM 1272 O HOH 117 12.523 24.723 28.946 1.00 48.05 O HETATM 1273 O HOH 118 9.055 27.927 10.819 1.00 47.58 O HETATM 1274 O HOH 119 0.178 11.309 24.189 1.00 44.81 O HETATM 1275 O HOH 120 2.901 6.413 -5.723 1.00 39.28 O HETATM 1276 O HOH 121 10.392 28.346 8.113 1.00 47.56 O HETATM 1277 O HOH 122 18.636 -7.451 10.553 1.00 50.73 O HETATM 1278 O HOH 123 17.019 -6.928 12.112 1.00 43.47 O HETATM 1279 O HOH 124 16.653 13.329 26.271 1.00 53.65 O HETATM 1280 O HOH 125 15.458 14.320 24.525 1.00 55.28 O HETATM 1281 O HOH 126 8.183 18.590 -4.477 1.00 39.85 O HETATM 1282 O HOH 127 1.143 4.871 19.757 1.00 30.93 O HETATM 1283 O HOH 128 -5.054 5.787 12.392 1.00 27.69 O HETATM 1284 O HOH 129 10.586 16.799 24.514 1.00 50.83 O HETATM 1285 O HOH 130 -4.317 0.667 20.397 1.00 43.47 O HETATM 1286 O HOH 131 0.924 7.596 -5.548 1.00 42.34 O HETATM 1287 O HOH 132 -6.347 -1.966 2.080 1.00 57.20 O HETATM 1288 O HOH 133 -2.987 17.628 13.969 1.00 44.47 O HETATM 1289 O HOH 134 -0.679 -5.466 18.088 1.00 43.51 O HETATM 1290 O HOH 135 14.329 11.762 -5.559 1.00 43.22 O HETATM 1291 O HOH 136 18.039 -2.942 5.812 1.00 50.32 O HETATM 1292 O HOH 137 -0.013 4.727 17.938 1.00 44.20 O HETATM 1293 O HOH 138 -7.321 5.140 1.695 1.00 16.88 O HETATM 1294 O HOH 139 -9.255 3.568 1.643 1.00 40.13 O HETATM 1295 O HOH 140 -10.912 4.426 -0.074 1.00 36.87 O HETATM 1296 C10 UNN A 141 4.469 9.395 22.712 1.00 0.05 C HETATM 1297 C08 UNN A 141 5.225 10.299 21.977 1.00 0.05 C HETATM 1298 C07 UNN A 141 5.316 11.614 22.394 1.00 -0.01 C HETATM 1299 C06 UNN A 141 4.657 12.020 23.546 1.00 0.11 C HETATM 1300 C13 UNN A 141 3.900 11.119 24.278 1.00 -0.02 C HETATM 1301 C12 UNN A 141 3.808 9.803 23.861 1.00 -0.05 C HETATM 1302 H UNN A 141 3.221 9.092 24.431 1.00 0.06 H HETATM 1303 H UNN A 141 3.382 11.444 25.173 1.00 0.06 H HETATM 1304 N05 UNN A 141 4.742 13.379 23.973 1.00 -0.15 N HETATM 1305 N04 UNN A 141 3.763 14.238 23.787 1.00 -0.19 N HETATM 1306 C03 UNN A 141 4.096 15.426 24.268 1.00 0.07 C HETATM 1307 C02 UNN A 141 3.242 16.641 24.239 1.00 0.07 C HETATM 1308 O01 UNN A 141 3.668 17.718 24.728 1.00 -0.56 O HETATM 1309 O41 UNN A 141 2.101 16.580 23.715 1.00 -0.56 O HETATM 1310 C40 UNN A 141 5.406 15.317 24.810 1.00 -0.03 C HETATM 1311 C14 UNN A 141 5.775 13.962 24.582 1.00 0.11 C HETATM 1312 C15 UNN A 141 7.091 13.349 24.990 1.00 0.01 C HETATM 1313 C16 UNN A 141 8.245 14.115 24.916 1.00 -0.06 C HETATM 1314 C17 UNN A 141 9.465 13.573 25.301 1.00 -0.06 C HETATM 1315 C18 UNN A 141 9.529 12.265 25.767 1.00 -0.02 C HETATM 1316 C19 UNN A 141 10.861 11.696 26.185 1.00 0.06 C HETATM 1317 N20 UNN A 141 11.957 11.939 25.273 1.00 -0.28 N HETATM 1318 C21 UNN A 141 12.303 10.967 24.268 1.00 0.20 C HETATM 1319 C22 UNN A 141 13.431 11.263 23.320 1.00 0.06 C HETATM 1320 C23 UNN A 141 14.538 10.428 23.285 1.00 -0.04 C HETATM 1321 C24 UNN A 141 15.584 10.689 22.410 1.00 -0.05 C HETATM 1322 C25 UNN A 141 15.508 11.792 21.573 1.00 0.02 C HETATM 1323 C26 UNN A 141 16.591 12.128 20.611 1.00 0.13 C HETATM 1324 C27 UNN A 141 17.783 11.439 20.359 1.00 -0.05 C HETATM 1325 C28 UNN A 141 18.445 12.206 19.339 1.00 -0.04 C HETATM 1326 C29 UNN A 141 17.584 13.279 19.078 1.00 0.15 C HETATM 1327 C30 UNN A 141 17.762 14.391 18.107 1.00 0.09 C HETATM 1328 O31 UNN A 141 18.756 14.420 17.331 1.00 -0.56 O HETATM 1329 O32 UNN A 141 16.886 15.292 18.084 1.00 -0.56 O HETATM 1330 O33 UNN A 141 16.533 13.180 19.839 1.00 -0.25 O HETATM 1331 H UNN A 141 19.406 11.998 18.871 1.00 0.04 H HETATM 1332 H UNN A 141 18.133 10.523 20.832 1.00 0.04 H HETATM 1333 C34 UNN A 141 14.405 12.626 21.602 1.00 -0.04 C HETATM 1334 C35 UNN A 141 13.360 12.370 22.472 1.00 0.06 C HETATM 1335 CL3 UNN A 141 12.003 13.451 22.466 1.00 -0.07 CL HETATM 1336 H UNN A 141 14.359 13.484 20.941 1.00 0.06 H HETATM 1337 H UNN A 141 16.450 10.038 22.381 1.00 0.06 H HETATM 1338 H UNN A 141 14.587 9.568 23.943 1.00 0.07 H HETATM 1339 O37 UNN A 141 11.670 9.924 24.182 1.00 -0.39 O HETATM 1340 H UNN A 141 12.479 12.789 25.341 1.00 0.19 H HETATM 1341 H UNN A 141 10.745 10.607 26.293 1.00 0.07 H HETATM 1342 H UNN A 141 11.127 12.135 27.158 1.00 0.07 H HETATM 1343 C38 UNN A 141 8.377 11.497 25.846 1.00 -0.06 C HETATM 1344 C39 UNN A 141 7.155 12.042 25.465 1.00 -0.06 C HETATM 1345 H UNN A 141 6.251 11.448 25.538 1.00 0.06 H HETATM 1346 H UNN A 141 8.428 10.475 26.204 1.00 0.06 H HETATM 1347 H UNN A 141 10.367 14.170 25.238 1.00 0.06 H HETATM 1348 H UNN A 141 8.195 15.137 24.558 1.00 0.06 H HETATM 1349 H UNN A 141 5.995 16.096 25.292 1.00 0.04 H HETATM 1350 H UNN A 141 5.901 12.326 21.823 1.00 0.06 H HETATM 1351 CL1 UNN A 141 6.051 9.805 20.537 1.00 -0.07 CL HETATM 1352 CL2 UNN A 141 4.338 7.747 22.209 1.00 -0.08 CL CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1296 1297 1301 1352 CONECT 1297 1296 1298 1351 CONECT 1298 1297 1299 1350 CONECT 1299 1298 1300 1304 CONECT 1300 1299 1301 1303 CONECT 1301 1296 1300 1302 CONECT 1302 1301 CONECT 1303 1300 CONECT 1304 1299 1305 1311 CONECT 1305 1304 1306 CONECT 1306 1305 1307 1310 CONECT 1307 1306 1308 1309 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1306 1311 1349 CONECT 1311 1304 1310 1312 CONECT 1312 1311 1313 1344 CONECT 1313 1312 1314 1348 CONECT 1314 1313 1315 1347 CONECT 1315 1314 1316 1343 CONECT 1316 1315 1317 1341 1342 CONECT 1317 1316 1318 1340 CONECT 1318 1317 1319 1339 CONECT 1319 1318 1320 1334 CONECT 1320 1319 1321 1338 CONECT 1321 1320 1322 1337 CONECT 1322 1321 1323 1333 CONECT 1323 1322 1324 1330 CONECT 1324 1323 1325 1332 CONECT 1325 1324 1326 1331 CONECT 1326 1325 1327 1330 CONECT 1327 1326 1328 1329 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1323 1326 CONECT 1331 1325 CONECT 1332 1324 CONECT 1333 1322 1334 1336 CONECT 1334 1319 1333 1335 CONECT 1335 1334 CONECT 1336 1333 CONECT 1337 1321 CONECT 1338 1320 CONECT 1339 1318 CONECT 1340 1317 CONECT 1341 1316 CONECT 1342 1316 CONECT 1343 1315 1344 1346 CONECT 1344 1312 1343 1345 CONECT 1345 1344 CONECT 1346 1343 CONECT 1347 1314 CONECT 1348 1313 CONECT 1349 1310 CONECT 1350 1298 CONECT 1351 1297 CONECT 1352 1296 MASTER 0 0 0 0 0 0 0 0 1351 1 61 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 4r4c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ijh
RCSB PDB
PDBbind
123aa, >4IJH_1|Chain... *
4ijl
RCSB PDB
PDBbind
123aa, >4IJL_1|Chain... at 100%
4luo
RCSB PDB
PDBbind
123aa, >4LUO_1|Chain... at 100%
4luv
RCSB PDB
PDBbind
123aa, >4LUV_1|Chain... at 100%
4luz
RCSB PDB
PDBbind
123aa, >4LUZ_1|Chain... at 100%
4lw1
RCSB PDB
PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
RCSB PDB
PDBbind
123aa, >4LWC_1|Chain... at 100%
4o0a
RCSB PDB
PDBbind
123aa, >4O0A_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
5e7n
RCSB PDB
PDBbind
123aa, >5E7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4r4c
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Replication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name
3HS
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=2.9uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) ACS Med.Chem.Lett.Vol.6: pp.140-145
Ligand Properties
Formula
C
2
9
H
1
8
Cl
3
N
3
O
6
Molecular Weight
610.829
Exact Mass
609.026
No. of atoms
59
No. of bonds
63
Polar Surface Area
134.66
LOGP Value
8.23 (
Computed with XLOGP3
)
7.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
OC(=O)c1cc(n(n1)c1ccc(c(c1)Cl)Cl)c1ccc(cc1)CNC(=O)c1ccc(cc1Cl)c1ccc(o1)C(=O)O
InChI String
InChI=1S/C29H18Cl3N3O6/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(37)38)16-3-1-15(2-4-16)14-33-27(36)19-7-5-17(11-21(19)31)25-9-10-26(41-25)29(39)40/h1-13H,14H2,(H,33,36)(H,37,38)(H,39,40)
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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