Browse entries in the PDBbind-CN Database
HEADER 4TUN_COMPLEX COMPND 4TUN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU HET MVH A 251 26 SSBOND 1 CYS A 64 CYS A 80 SSBOND 2 CYS A 76 CYS A 94 SSBOND 3 CYS A 30 CYS A 115 SSBOND 4 CYS A 6 CYS A 127 ATOM 1 N LYS A 1 -3.030 29.196 -9.070 1.00 14.51 N ATOM 2 CA LYS A 1 -2.106 28.666 -10.115 1.00 14.82 C ATOM 3 C LYS A 1 -2.188 27.135 -10.299 1.00 14.99 C ATOM 4 O LYS A 1 -2.144 26.369 -9.329 1.00 14.73 O ATOM 5 CB LYS A 1 -0.672 29.063 -9.767 1.00 14.78 C ATOM 6 CG LYS A 1 0.390 28.566 -10.747 1.00 15.54 C ATOM 7 CD LYS A 1 1.738 29.050 -10.288 1.00 16.53 C ATOM 8 CE LYS A 1 2.869 28.594 -11.195 1.00 17.66 C ATOM 9 NZ LYS A 1 4.051 29.466 -10.945 1.00 18.93 N ATOM 10 HZ1 LYS A 1 3.802 30.454 -11.154 1.00 0.00 H ATOM 11 HZ2 LYS A 1 4.337 29.383 -9.949 1.00 0.00 H ATOM 12 HZ3 LYS A 1 4.836 29.168 -11.558 1.00 0.00 H ATOM 13 HN3 LYS A 1 -2.801 28.761 -8.154 1.00 0.00 H ATOM 14 HN2 LYS A 1 -4.011 28.967 -9.328 1.00 0.00 H ATOM 15 HN1 LYS A 1 -2.920 30.228 -9.003 1.00 0.00 H ATOM 16 N VAL A 2 -2.204 26.709 -11.557 1.00 15.42 N ATOM 17 CA VAL A 2 -2.183 25.305 -11.919 1.00 15.05 C ATOM 18 C VAL A 2 -0.769 25.037 -12.425 1.00 14.70 C ATOM 19 O VAL A 2 -0.431 25.400 -13.548 1.00 13.19 O ATOM 20 CB VAL A 2 -3.240 24.952 -13.000 1.00 15.36 C ATOM 21 CG1 VAL A 2 -3.235 23.470 -13.306 1.00 15.40 C ATOM 22 CG2 VAL A 2 -4.653 25.358 -12.560 1.00 15.51 C ATOM 23 H VAL A 2 -2.233 27.416 -12.319 1.00 0.00 H ATOM 24 N PHE A 3 0.054 24.419 -11.579 1.00 13.78 N ATOM 25 CA PHE A 3 1.422 24.042 -11.958 1.00 14.27 C ATOM 26 C PHE A 3 1.494 22.943 -12.990 1.00 14.73 C ATOM 27 O PHE A 3 0.672 22.023 -12.993 1.00 13.74 O ATOM 28 CB PHE A 3 2.207 23.509 -10.742 1.00 13.80 C ATOM 29 CG PHE A 3 2.757 24.572 -9.853 1.00 14.75 C ATOM 30 CD1 PHE A 3 1.938 25.257 -8.956 1.00 14.94 C ATOM 31 CD2 PHE A 3 4.109 24.879 -9.888 1.00 14.86 C ATOM 32 CE1 PHE A 3 2.456 26.250 -8.144 1.00 15.55 C ATOM 33 CE2 PHE A 3 4.634 25.853 -9.058 1.00 15.07 C ATOM 34 CZ PHE A 3 3.807 26.547 -8.192 1.00 15.37 C ATOM 35 H PHE A 3 -0.283 24.197 -10.620 1.00 0.00 H ATOM 36 N GLY A 4 2.530 23.031 -13.834 1.00 15.85 N ATOM 37 CA GLY A 4 3.026 21.902 -14.589 1.00 16.02 C ATOM 38 C GLY A 4 3.703 20.901 -13.670 1.00 16.30 C ATOM 39 O GLY A 4 4.053 21.211 -12.511 1.00 15.64 O ATOM 40 H GLY A 4 2.998 23.952 -13.952 1.00 0.00 H ATOM 41 N ARG A 5 3.852 19.678 -14.172 1.00 17.53 N ATOM 42 CA ARG A 5 4.371 18.565 -13.385 1.00 17.70 C ATOM 43 C ARG A 5 5.820 18.850 -12.991 1.00 16.38 C ATOM 44 O ARG A 5 6.170 18.790 -11.809 1.00 14.58 O ATOM 45 CB ARG A 5 4.262 17.273 -14.184 1.00 18.69 C ATOM 46 CG ARG A 5 4.886 16.063 -13.540 1.00 19.29 C ATOM 47 CD ARG A 5 4.529 14.811 -14.326 1.00 19.17 C ATOM 48 NE ARG A 5 5.104 14.782 -15.670 1.00 20.09 N ATOM 49 CZ ARG A 5 6.372 14.478 -15.952 1.00 21.13 C ATOM 50 NH1 ARG A 5 7.246 14.171 -14.983 1.00 20.91 N ATOM 51 NH2 ARG A 5 6.775 14.483 -17.216 1.00 21.66 N ATOM 52 HE ARG A 5 4.477 15.016 -16.466 1.00 0.00 H ATOM 53 HH12 ARG A 5 8.230 13.937 -15.225 1.00 0.00 H ATOM 54 HH11 ARG A 5 6.940 14.167 -13.989 1.00 0.00 H ATOM 55 HH22 ARG A 5 7.761 14.248 -17.448 1.00 0.00 H ATOM 56 HH21 ARG A 5 6.105 14.722 -17.975 1.00 0.00 H ATOM 57 H ARG A 5 3.588 19.509 -15.164 1.00 0.00 H ATOM 58 N CYS A 6 6.649 19.157 -13.985 1.00 15.88 N ATOM 59 CA CYS A 6 8.056 19.486 -13.747 1.00 16.36 C ATOM 60 C CYS A 6 8.187 20.847 -13.047 1.00 15.92 C ATOM 61 O CYS A 6 9.073 21.031 -12.174 1.00 15.63 O ATOM 62 CB CYS A 6 8.886 19.405 -15.047 1.00 17.32 C ATOM 63 SG CYS A 6 9.054 17.719 -15.712 1.00 19.38 S ATOM 64 H CYS A 6 6.287 19.164 -14.960 1.00 0.00 H ATOM 65 N GLU A 7 7.284 21.781 -13.378 1.00 14.25 N ATOM 66 CA GLU A 7 7.286 23.111 -12.741 1.00 13.87 C ATOM 67 C GLU A 7 7.118 22.965 -11.229 1.00 12.69 C ATOM 68 O GLU A 7 7.845 23.561 -10.427 1.00 10.94 O ATOM 69 CB GLU A 7 6.142 23.972 -13.299 1.00 14.04 C ATOM 70 CG GLU A 7 6.292 25.471 -13.021 1.00 14.11 C ATOM 71 CD GLU A 7 4.997 26.217 -13.255 1.00 14.14 C ATOM 72 OE1 GLU A 7 5.006 27.430 -13.144 1.00 13.94 O ATOM 73 OE2 GLU A 7 3.954 25.576 -13.538 1.00 15.30 O ATOM 74 H GLU A 7 6.567 21.563 -14.099 1.00 0.00 H ATOM 75 N LEU A 8 6.140 22.165 -10.842 1.00 11.89 N ATOM 76 CA LEU A 8 5.931 21.894 -9.400 1.00 12.45 C ATOM 77 C LEU A 8 7.102 21.169 -8.737 1.00 12.31 C ATOM 78 O LEU A 8 7.507 21.471 -7.599 1.00 12.16 O ATOM 79 CB LEU A 8 4.620 21.134 -9.198 1.00 12.81 C ATOM 80 CG LEU A 8 4.344 20.896 -7.708 1.00 13.62 C ATOM 81 CD1 LEU A 8 4.148 22.253 -7.031 1.00 14.35 C ATOM 82 CD2 LEU A 8 3.146 19.996 -7.565 1.00 14.41 C ATOM 83 H LEU A 8 5.517 21.726 -11.549 1.00 0.00 H ATOM 84 N ALA A 9 7.697 20.249 -9.484 1.00 13.90 N ATOM 85 CA ALA A 9 8.807 19.466 -8.973 1.00 13.96 C ATOM 86 C ALA A 9 9.925 20.421 -8.618 1.00 14.53 C ATOM 87 O ALA A 9 10.483 20.363 -7.521 1.00 13.30 O ATOM 88 CB ALA A 9 9.270 18.445 -10.007 1.00 13.64 C ATOM 89 H ALA A 9 7.362 20.085 -10.455 1.00 0.00 H ATOM 90 N ALA A 10 10.255 21.297 -9.570 1.00 16.00 N ATOM 91 CA ALA A 10 11.268 22.326 -9.370 1.00 15.70 C ATOM 92 C ALA A 10 10.962 23.260 -8.177 1.00 15.34 C ATOM 93 O ALA A 10 11.846 23.543 -7.371 1.00 15.23 O ATOM 94 CB ALA A 10 11.453 23.116 -10.657 1.00 17.72 C ATOM 95 H ALA A 10 9.771 21.243 -10.489 1.00 0.00 H ATOM 96 N ALA A 11 9.720 23.717 -8.042 1.00 14.12 N ATOM 97 CA ALA A 11 9.342 24.541 -6.904 1.00 13.67 C ATOM 98 C ALA A 11 9.487 23.777 -5.588 1.00 12.95 C ATOM 99 O ALA A 11 10.005 24.315 -4.587 1.00 13.27 O ATOM 100 CB ALA A 11 7.933 25.113 -7.081 1.00 13.65 C ATOM 101 H ALA A 11 9.007 23.481 -8.762 1.00 0.00 H ATOM 102 N MET A 12 9.118 22.497 -5.564 1.00 12.98 N ATOM 103 CA MET A 12 9.229 21.766 -4.295 1.00 12.58 C ATOM 104 C MET A 12 10.688 21.546 -3.927 1.00 14.16 C ATOM 105 O MET A 12 11.019 21.552 -2.743 1.00 14.29 O ATOM 106 CB MET A 12 8.488 20.428 -4.352 1.00 11.76 C ATOM 107 CG MET A 12 7.000 20.609 -4.580 1.00 11.08 C ATOM 108 SD MET A 12 6.156 19.029 -4.716 1.00 10.81 S ATOM 109 CE MET A 12 4.512 19.535 -4.183 1.00 11.04 C ATOM 110 H MET A 12 8.761 22.028 -6.421 1.00 0.00 H ATOM 111 N LYS A 13 11.539 21.341 -4.947 1.00 15.54 N ATOM 112 CA LYS A 13 12.965 21.125 -4.735 1.00 17.54 C ATOM 113 C LYS A 13 13.599 22.387 -4.194 1.00 18.33 C ATOM 114 O LYS A 13 14.345 22.359 -3.226 1.00 17.67 O ATOM 115 CB LYS A 13 13.667 20.745 -6.033 1.00 18.92 C ATOM 116 CG LYS A 13 15.171 20.620 -5.854 1.00 19.81 C ATOM 117 CD LYS A 13 15.831 19.584 -6.769 1.00 20.63 C ATOM 118 CE LYS A 13 17.334 19.801 -6.704 1.00 22.42 C ATOM 119 NZ LYS A 13 18.104 18.873 -7.567 1.00 22.77 N ATOM 120 HZ1 LYS A 13 17.917 17.893 -7.273 1.00 0.00 H ATOM 121 HZ2 LYS A 13 17.813 19.001 -8.557 1.00 0.00 H ATOM 122 HZ3 LYS A 13 19.120 19.077 -7.474 1.00 0.00 H ATOM 123 H LYS A 13 11.168 21.336 -5.919 1.00 0.00 H ATOM 124 N ARG A 14 13.292 23.493 -4.859 1.00 19.85 N ATOM 125 CA ARG A 14 13.723 24.807 -4.443 1.00 21.65 C ATOM 126 C ARG A 14 13.366 25.117 -2.966 1.00 21.77 C ATOM 127 O ARG A 14 14.105 25.832 -2.321 1.00 22.07 O ATOM 128 CB ARG A 14 13.164 25.846 -5.428 1.00 22.81 C ATOM 129 CG ARG A 14 13.147 27.274 -4.934 1.00 24.84 C ATOM 130 CD ARG A 14 14.026 28.223 -5.726 1.00 26.15 C ATOM 131 NE ARG A 14 14.283 29.436 -4.944 1.00 29.41 N ATOM 132 CZ ARG A 14 13.349 30.230 -4.410 1.00 28.59 C ATOM 133 NH1 ARG A 14 13.722 31.281 -3.702 1.00 29.32 N ATOM 134 NH2 ARG A 14 12.051 30.005 -4.584 1.00 28.84 N ATOM 135 HE ARG A 14 15.277 29.702 -4.791 1.00 0.00 H ATOM 136 HH12 ARG A 14 13.005 31.906 -3.282 1.00 0.00 H ATOM 137 HH11 ARG A 14 14.733 31.483 -3.565 1.00 0.00 H ATOM 138 HH22 ARG A 14 11.351 30.643 -4.154 1.00 0.00 H ATOM 139 HH21 ARG A 14 11.736 29.191 -5.150 1.00 0.00 H ATOM 140 H ARG A 14 12.714 23.410 -5.720 1.00 0.00 H ATOM 141 N HIS A 15 12.261 24.573 -2.447 1.00 21.48 N ATOM 142 CA HIS A 15 11.810 24.842 -1.084 1.00 22.05 C ATOM 143 C HIS A 15 12.107 23.679 -0.130 1.00 20.90 C ATOM 144 O HIS A 15 11.418 23.504 0.871 1.00 22.86 O ATOM 145 CB HIS A 15 10.300 25.182 -1.066 1.00 23.54 C ATOM 146 CG HIS A 15 9.971 26.518 -1.654 1.00 22.45 C ATOM 147 ND1 HIS A 15 9.658 26.694 -2.989 1.00 23.46 N ATOM 148 CD2 HIS A 15 9.929 27.749 -1.094 1.00 23.28 C ATOM 149 CE1 HIS A 15 9.423 27.974 -3.216 1.00 23.14 C ATOM 150 NE2 HIS A 15 9.582 28.634 -2.084 1.00 23.28 N ATOM 151 H HIS A 15 11.698 23.930 -3.039 1.00 0.00 H ATOM 152 N GLY A 16 13.126 22.889 -0.441 1.00 20.64 N ATOM 153 CA GLY A 16 13.649 21.862 0.466 1.00 20.73 C ATOM 154 C GLY A 16 12.764 20.671 0.742 1.00 19.34 C ATOM 155 O GLY A 16 12.846 20.051 1.831 1.00 17.88 O ATOM 156 H GLY A 16 13.575 23.003 -1.372 1.00 0.00 H ATOM 157 N LEU A 17 11.888 20.338 -0.199 1.00 18.60 N ATOM 158 CA LEU A 17 10.974 19.223 0.051 1.00 18.57 C ATOM 159 C LEU A 17 11.488 17.901 -0.512 1.00 19.97 C ATOM 160 O LEU A 17 11.088 16.818 -0.057 1.00 18.74 O ATOM 161 CB LEU A 17 9.587 19.566 -0.476 1.00 18.63 C ATOM 162 CG LEU A 17 8.373 18.939 0.187 1.00 18.49 C ATOM 163 CD1 LEU A 17 8.280 19.197 1.691 1.00 17.66 C ATOM 164 CD2 LEU A 17 7.135 19.423 -0.564 1.00 18.19 C ATOM 165 H LEU A 17 11.852 20.860 -1.098 1.00 0.00 H ATOM 166 N ASP A 18 12.384 17.960 -1.494 1.00 21.62 N ATOM 167 CA ASP A 18 12.983 16.719 -1.995 1.00 22.92 C ATOM 168 C ASP A 18 13.875 16.001 -0.978 1.00 20.81 C ATOM 169 O ASP A 18 14.880 16.510 -0.450 1.00 20.47 O ATOM 170 CB ASP A 18 13.696 16.902 -3.337 1.00 25.37 C ATOM 171 CG ASP A 18 14.954 17.681 -3.233 1.00 25.49 C ATOM 172 OD1 ASP A 18 14.881 18.828 -2.733 1.00 30.62 O ATOM 173 OD2 ASP A 18 15.984 17.149 -3.701 1.00 25.77 O ATOM 174 H ASP A 18 12.657 18.877 -1.902 1.00 0.00 H ATOM 175 N ASN A 19 13.445 14.780 -0.722 1.00 19.54 N ATOM 176 CA ASN A 19 13.929 13.943 0.345 1.00 18.79 C ATOM 177 C ASN A 19 13.764 14.391 1.763 1.00 16.39 C ATOM 178 O ASN A 19 14.416 13.848 2.670 1.00 14.94 O ATOM 179 CB ASN A 19 15.323 13.449 0.061 1.00 19.97 C ATOM 180 CG ASN A 19 15.271 12.089 -0.546 1.00 21.99 C ATOM 181 OD1 ASN A 19 14.818 11.144 0.109 1.00 23.55 O ATOM 182 ND2 ASN A 19 15.614 11.987 -1.821 1.00 23.20 N ATOM 183 HD22 ASN A 19 15.991 12.814 -2.326 1.00 0.00 H ATOM 184 HD21 ASN A 19 15.507 11.079 -2.317 1.00 0.00 H ATOM 185 H ASN A 19 12.701 14.393 -1.337 1.00 0.00 H ATOM 186 N TYR A 20 12.827 15.314 1.963 1.00 15.57 N ATOM 187 CA TYR A 20 12.444 15.734 3.297 1.00 14.22 C ATOM 188 C TYR A 20 11.845 14.538 4.030 1.00 14.19 C ATOM 189 O TYR A 20 10.957 13.851 3.506 1.00 12.43 O ATOM 190 CB TYR A 20 11.413 16.874 3.234 1.00 14.40 C ATOM 191 CG TYR A 20 11.232 17.506 4.612 1.00 13.86 C ATOM 192 CD1 TYR A 20 12.079 18.508 5.025 1.00 13.16 C ATOM 193 CD2 TYR A 20 10.256 17.059 5.503 1.00 13.19 C ATOM 194 CE1 TYR A 20 11.981 19.059 6.268 1.00 13.43 C ATOM 195 CE2 TYR A 20 10.138 17.615 6.777 1.00 12.97 C ATOM 196 CZ TYR A 20 11.029 18.636 7.137 1.00 13.54 C ATOM 197 OH TYR A 20 11.035 19.301 8.344 1.00 13.47 O ATOM 198 HH TYR A 20 11.761 19.974 8.345 1.00 0.00 H ATOM 199 H TYR A 20 12.357 15.745 1.142 1.00 0.00 H ATOM 200 N ARG A 21 12.311 14.302 5.257 1.00 15.22 N ATOM 201 CA ARG A 21 11.909 13.124 6.050 1.00 15.85 C ATOM 202 C ARG A 21 12.023 11.853 5.222 1.00 15.60 C ATOM 203 O ARG A 21 11.324 10.882 5.495 1.00 13.56 O ATOM 204 CB ARG A 21 10.492 13.281 6.603 1.00 18.12 C ATOM 205 CG ARG A 21 10.413 14.064 7.906 1.00 20.49 C ATOM 206 CD ARG A 21 11.051 13.305 9.078 1.00 22.80 C ATOM 207 NE ARG A 21 11.224 14.214 10.215 1.00 26.31 N ATOM 208 CZ ARG A 21 10.696 14.064 11.438 1.00 27.38 C ATOM 209 NH1 ARG A 21 9.973 12.995 11.764 1.00 26.78 N ATOM 210 NH2 ARG A 21 10.933 14.993 12.368 1.00 26.79 N ATOM 211 HE ARG A 21 11.813 15.056 10.058 1.00 0.00 H ATOM 212 HH12 ARG A 21 9.577 12.908 12.722 1.00 0.00 H ATOM 213 HH11 ARG A 21 9.804 12.247 11.061 1.00 0.00 H ATOM 214 HH22 ARG A 21 10.530 14.889 13.321 1.00 0.00 H ATOM 215 HH21 ARG A 21 11.521 15.820 12.139 1.00 0.00 H ATOM 216 H ARG A 21 12.986 14.976 5.672 1.00 0.00 H ATOM 217 N GLY A 22 12.928 11.846 4.233 1.00 15.41 N ATOM 218 CA GLY A 22 13.155 10.642 3.410 1.00 15.20 C ATOM 219 C GLY A 22 12.174 10.352 2.262 1.00 14.56 C ATOM 220 O GLY A 22 12.238 9.280 1.640 1.00 14.60 O ATOM 221 H GLY A 22 13.481 12.706 4.042 1.00 0.00 H ATOM 222 N TYR A 23 11.246 11.273 2.005 1.00 13.15 N ATOM 223 CA TYR A 23 10.332 11.165 0.878 1.00 11.90 C ATOM 224 C TYR A 23 10.888 11.901 -0.350 1.00 12.52 C ATOM 225 O TYR A 23 10.958 13.170 -0.376 1.00 12.73 O ATOM 226 CB TYR A 23 8.957 11.710 1.282 1.00 11.01 C ATOM 227 CG TYR A 23 8.264 10.815 2.281 1.00 10.19 C ATOM 228 CD1 TYR A 23 7.484 9.740 1.851 1.00 9.95 C ATOM 229 CD2 TYR A 23 8.421 11.002 3.661 1.00 10.11 C ATOM 230 CE1 TYR A 23 6.826 8.901 2.763 1.00 9.63 C ATOM 231 CE2 TYR A 23 7.767 10.163 4.586 1.00 10.08 C ATOM 232 CZ TYR A 23 6.998 9.079 4.118 1.00 9.65 C ATOM 233 OH TYR A 23 6.340 8.226 4.999 1.00 9.84 O ATOM 234 HH TYR A 23 5.856 7.532 4.485 1.00 0.00 H ATOM 235 H TYR A 23 11.172 12.099 2.633 1.00 0.00 H ATOM 236 N SER A 24 11.272 11.108 -1.352 1.00 12.81 N ATOM 237 CA SER A 24 11.738 11.609 -2.645 1.00 13.43 C ATOM 238 C SER A 24 10.726 12.574 -3.273 1.00 14.20 C ATOM 239 O SER A 24 9.507 12.552 -2.975 1.00 12.25 O ATOM 240 CB SER A 24 12.019 10.444 -3.607 1.00 14.48 C ATOM 241 OG SER A 24 10.812 9.842 -4.040 1.00 14.70 O ATOM 242 HG SER A 24 11.019 9.096 -4.657 1.00 0.00 H ATOM 243 H SER A 24 11.238 10.079 -1.206 1.00 0.00 H ATOM 244 N LEU A 25 11.246 13.436 -4.144 1.00 15.04 N ATOM 245 CA LEU A 25 10.422 14.431 -4.800 1.00 16.37 C ATOM 246 C LEU A 25 9.212 13.770 -5.472 1.00 15.83 C ATOM 247 O LEU A 25 8.082 14.278 -5.420 1.00 15.04 O ATOM 248 CB LEU A 25 11.265 15.201 -5.829 1.00 17.40 C ATOM 249 CG LEU A 25 10.942 16.643 -6.199 1.00 17.91 C ATOM 250 CD1 LEU A 25 10.565 17.528 -5.016 1.00 17.82 C ATOM 251 CD2 LEU A 25 12.165 17.219 -6.940 1.00 17.93 C ATOM 252 H LEU A 25 12.263 13.394 -4.358 1.00 0.00 H ATOM 253 N GLY A 26 9.433 12.625 -6.099 1.00 15.32 N ATOM 254 CA GLY A 26 8.299 11.874 -6.715 1.00 15.04 C ATOM 255 C GLY A 26 7.045 11.758 -5.863 1.00 13.71 C ATOM 256 O GLY A 26 5.912 11.909 -6.372 1.00 12.43 O ATOM 257 H GLY A 26 10.400 12.247 -6.163 1.00 0.00 H ATOM 258 N ASN A 27 7.258 11.476 -4.570 1.00 13.08 N ATOM 259 CA ASN A 27 6.193 11.300 -3.593 1.00 12.77 C ATOM 260 C ASN A 27 5.375 12.558 -3.368 1.00 11.83 C ATOM 261 O ASN A 27 4.141 12.530 -3.385 1.00 11.84 O ATOM 262 CB ASN A 27 6.772 10.766 -2.265 1.00 12.53 C ATOM 263 CG ASN A 27 7.097 9.273 -2.321 1.00 12.94 C ATOM 264 OD1 ASN A 27 8.247 8.833 -2.555 1.00 12.46 O ATOM 265 ND2 ASN A 27 6.087 8.488 -2.094 1.00 12.78 N ATOM 266 HD22 ASN A 27 5.147 8.891 -1.904 1.00 0.00 H ATOM 267 HD21 ASN A 27 6.218 7.456 -2.103 1.00 0.00 H ATOM 268 H ASN A 27 8.241 11.377 -4.246 1.00 0.00 H ATOM 269 N TRP A 28 6.078 13.673 -3.170 1.00 11.22 N ATOM 270 CA TRP A 28 5.454 15.010 -3.075 1.00 10.66 C ATOM 271 C TRP A 28 4.657 15.414 -4.315 1.00 10.15 C ATOM 272 O TRP A 28 3.541 15.940 -4.191 1.00 10.14 O ATOM 273 CB TRP A 28 6.499 16.086 -2.694 1.00 10.23 C ATOM 274 CG TRP A 28 7.162 15.748 -1.388 1.00 10.30 C ATOM 275 CD1 TRP A 28 8.395 15.161 -1.204 1.00 10.26 C ATOM 276 CD2 TRP A 28 6.591 15.884 -0.084 1.00 10.14 C ATOM 277 NE1 TRP A 28 8.622 14.961 0.133 1.00 9.83 N ATOM 278 CE2 TRP A 28 7.528 15.393 0.839 1.00 10.06 C ATOM 279 CE3 TRP A 28 5.359 16.353 0.392 1.00 10.03 C ATOM 280 CZ2 TRP A 28 7.288 15.407 2.230 1.00 10.17 C ATOM 281 CZ3 TRP A 28 5.137 16.367 1.741 1.00 10.23 C ATOM 282 CH2 TRP A 28 6.089 15.871 2.650 1.00 9.99 C ATOM 283 HE1 TRP A 28 9.483 14.549 0.545 1.00 0.00 H ATOM 284 H TRP A 28 7.111 13.599 -3.078 1.00 0.00 H ATOM 285 N VAL A 29 5.209 15.153 -5.496 1.00 10.03 N ATOM 286 CA VAL A 29 4.497 15.391 -6.777 1.00 9.54 C ATOM 287 C VAL A 29 3.267 14.483 -6.991 1.00 9.49 C ATOM 288 O VAL A 29 2.194 14.945 -7.341 1.00 9.16 O ATOM 289 CB VAL A 29 5.441 15.352 -7.990 1.00 9.33 C ATOM 290 CG1 VAL A 29 4.694 15.638 -9.284 1.00 9.23 C ATOM 291 CG2 VAL A 29 6.611 16.341 -7.819 1.00 9.46 C ATOM 292 H VAL A 29 6.175 14.768 -5.524 1.00 0.00 H ATOM 293 N CYS A 30 3.417 13.205 -6.741 1.00 9.81 N ATOM 294 CA CYS A 30 2.288 12.291 -6.825 1.00 10.03 C ATOM 295 C CYS A 30 1.177 12.733 -5.847 1.00 9.98 C ATOM 296 O CYS A 30 0.028 12.834 -6.236 1.00 9.33 O ATOM 297 CB CYS A 30 2.771 10.906 -6.492 1.00 10.16 C ATOM 298 SG CYS A 30 1.481 9.707 -6.652 1.00 10.63 S ATOM 299 H CYS A 30 4.355 12.840 -6.479 1.00 0.00 H ATOM 300 N ALA A 31 1.531 13.006 -4.589 1.00 10.24 N ATOM 301 CA ALA A 31 0.555 13.528 -3.620 1.00 10.96 C ATOM 302 C ALA A 31 -0.177 14.794 -4.068 1.00 11.38 C ATOM 303 O ALA A 31 -1.388 14.813 -4.123 1.00 13.00 O ATOM 304 CB ALA A 31 1.155 13.690 -2.231 1.00 10.67 C ATOM 305 H ALA A 31 2.514 12.847 -4.289 1.00 0.00 H ATOM 306 N ALA A 32 0.557 15.819 -4.455 1.00 12.30 N ATOM 307 CA ALA A 32 -0.050 17.010 -4.981 1.00 12.55 C ATOM 308 C ALA A 32 -0.951 16.721 -6.208 1.00 12.13 C ATOM 309 O ALA A 32 -1.978 17.360 -6.388 1.00 11.56 O ATOM 310 CB ALA A 32 1.035 18.032 -5.292 1.00 12.47 C ATOM 311 H ALA A 32 1.593 15.764 -4.378 1.00 0.00 H ATOM 312 N LYS A 33 -0.575 15.747 -7.035 1.00 11.71 N ATOM 313 CA LYS A 33 -1.373 15.402 -8.171 1.00 12.31 C ATOM 314 C LYS A 33 -2.779 14.988 -7.742 1.00 13.01 C ATOM 315 O LYS A 33 -3.754 15.575 -8.211 1.00 11.92 O ATOM 316 CB LYS A 33 -0.736 14.296 -9.011 1.00 12.61 C ATOM 317 CG LYS A 33 -1.637 13.791 -10.117 1.00 12.82 C ATOM 318 CD LYS A 33 -1.952 14.835 -11.147 1.00 12.76 C ATOM 319 CE LYS A 33 -2.367 14.197 -12.446 1.00 13.04 C ATOM 320 NZ LYS A 33 -2.810 15.216 -13.428 1.00 13.51 N ATOM 321 HZ1 LYS A 33 -3.621 15.739 -13.041 1.00 0.00 H ATOM 322 HZ2 LYS A 33 -2.029 15.876 -13.617 1.00 0.00 H ATOM 323 HZ3 LYS A 33 -3.089 14.745 -14.312 1.00 0.00 H ATOM 324 H LYS A 33 0.309 15.231 -6.853 1.00 0.00 H ATOM 325 N PHE A 34 -2.852 14.019 -6.832 1.00 13.06 N ATOM 326 CA PHE A 34 -4.134 13.437 -6.406 1.00 13.91 C ATOM 327 C PHE A 34 -4.865 14.212 -5.307 1.00 14.51 C ATOM 328 O PHE A 34 -6.110 14.042 -5.133 1.00 16.30 O ATOM 329 CB PHE A 34 -3.930 11.962 -6.083 1.00 12.99 C ATOM 330 CG PHE A 34 -3.442 11.193 -7.261 1.00 12.28 C ATOM 331 CD1 PHE A 34 -4.147 11.223 -8.461 1.00 11.39 C ATOM 332 CD2 PHE A 34 -2.234 10.521 -7.214 1.00 12.10 C ATOM 333 CE1 PHE A 34 -3.684 10.544 -9.552 1.00 11.83 C ATOM 334 CE2 PHE A 34 -1.762 9.859 -8.314 1.00 11.96 C ATOM 335 CZ PHE A 34 -2.478 9.868 -9.491 1.00 11.61 C ATOM 336 H PHE A 34 -1.972 13.661 -6.408 1.00 0.00 H ATOM 337 N GLU A 35 -4.134 15.103 -4.622 1.00 13.87 N ATOM 338 CA GLU A 35 -4.767 16.019 -3.695 1.00 13.89 C ATOM 339 C GLU A 35 -5.444 17.227 -4.380 1.00 13.74 C ATOM 340 O GLU A 35 -6.575 17.578 -4.018 1.00 13.51 O ATOM 341 CB GLU A 35 -3.790 16.471 -2.589 1.00 13.87 C ATOM 342 CG GLU A 35 -3.309 15.370 -1.611 1.00 12.88 C ATOM 343 CD GLU A 35 -4.377 14.815 -0.684 1.00 13.51 C ATOM 344 OE1 GLU A 35 -5.513 15.334 -0.744 1.00 13.06 O ATOM 345 OE2 GLU A 35 -4.076 13.873 0.111 1.00 12.92 O ATOM 346 H GLU A 35 -3.103 15.137 -4.757 1.00 0.00 H ATOM 347 N SER A 36 -4.744 17.879 -5.319 1.00 12.07 N ATOM 348 CA SER A 36 -5.169 19.161 -5.843 1.00 11.57 C ATOM 349 C SER A 36 -5.155 19.215 -7.354 1.00 11.65 C ATOM 350 O SER A 36 -5.570 20.204 -7.916 1.00 12.35 O ATOM 351 CB SER A 36 -4.204 20.242 -5.350 1.00 11.42 C ATOM 352 OG SER A 36 -2.955 20.121 -6.039 1.00 10.57 O ATOM 353 HG SER A 36 -2.567 19.227 -5.862 1.00 0.00 H ATOM 354 H SER A 36 -3.869 17.451 -5.683 1.00 0.00 H ATOM 355 N ASN A 37 -4.664 18.152 -8.001 1.00 11.88 N ATOM 356 CA ASN A 37 -4.324 18.169 -9.441 1.00 11.22 C ATOM 357 C ASN A 37 -3.469 19.367 -9.844 1.00 11.37 C ATOM 358 O ASN A 37 -3.686 19.972 -10.929 1.00 12.25 O ATOM 359 CB ASN A 37 -5.582 18.129 -10.274 1.00 11.44 C ATOM 360 CG ASN A 37 -5.309 17.859 -11.747 1.00 11.22 C ATOM 361 OD1 ASN A 37 -4.390 17.086 -12.111 1.00 11.67 O ATOM 362 ND2 ASN A 37 -6.105 18.489 -12.600 1.00 11.04 N ATOM 363 HD22 ASN A 37 -6.852 19.119 -12.245 1.00 0.00 H ATOM 364 HD21 ASN A 37 -5.982 18.353 -13.624 1.00 0.00 H ATOM 365 H ASN A 37 -4.514 17.272 -7.467 1.00 0.00 H ATOM 366 N PHE A 38 -2.593 19.762 -8.924 1.00 11.06 N ATOM 367 CA PHE A 38 -1.571 20.801 -9.131 1.00 11.17 C ATOM 368 C PHE A 38 -2.050 22.242 -8.973 1.00 11.58 C ATOM 369 O PHE A 38 -1.302 23.204 -9.237 1.00 12.12 O ATOM 370 CB PHE A 38 -0.881 20.588 -10.488 1.00 10.93 C ATOM 371 CG PHE A 38 -0.133 19.277 -10.611 1.00 10.54 C ATOM 372 CD1 PHE A 38 0.375 18.616 -9.491 1.00 10.88 C ATOM 373 CD2 PHE A 38 0.141 18.746 -11.869 1.00 10.58 C ATOM 374 CE1 PHE A 38 1.123 17.430 -9.639 1.00 10.73 C ATOM 375 CE2 PHE A 38 0.878 17.588 -12.026 1.00 10.55 C ATOM 376 CZ PHE A 38 1.351 16.913 -10.899 1.00 10.69 C ATOM 377 H PHE A 38 -2.633 19.304 -7.991 1.00 0.00 H ATOM 378 N ASN A 39 -3.268 22.384 -8.477 1.00 11.46 N ATOM 379 CA ASN A 39 -3.949 23.649 -8.487 1.00 11.38 C ATOM 380 C ASN A 39 -3.831 24.226 -7.111 1.00 10.61 C ATOM 381 O ASN A 39 -4.399 23.680 -6.180 1.00 9.82 O ATOM 382 CB ASN A 39 -5.407 23.457 -8.862 1.00 11.21 C ATOM 383 CG ASN A 39 -6.137 24.767 -8.991 1.00 11.34 C ATOM 384 OD1 ASN A 39 -5.600 25.825 -8.651 1.00 11.54 O ATOM 385 ND2 ASN A 39 -7.337 24.720 -9.537 1.00 11.91 N ATOM 386 HD22 ASN A 39 -7.750 23.805 -9.808 1.00 0.00 H ATOM 387 HD21 ASN A 39 -7.870 25.598 -9.697 1.00 0.00 H ATOM 388 H ASN A 39 -3.746 21.556 -8.068 1.00 0.00 H ATOM 389 N THR A 40 -3.094 25.325 -6.995 1.00 10.31 N ATOM 390 CA THR A 40 -2.914 25.982 -5.701 1.00 10.65 C ATOM 391 C THR A 40 -4.241 26.416 -5.069 1.00 10.03 C ATOM 392 O THR A 40 -4.345 26.490 -3.863 1.00 11.05 O ATOM 393 CB THR A 40 -2.024 27.246 -5.801 1.00 10.90 C ATOM 394 OG1 THR A 40 -2.667 28.196 -6.644 1.00 11.24 O ATOM 395 CG2 THR A 40 -0.650 26.917 -6.329 1.00 11.35 C ATOM 396 HG1 THR A 40 -2.795 27.804 -7.544 1.00 0.00 H ATOM 397 H THR A 40 -2.637 25.725 -7.839 1.00 0.00 H ATOM 398 N GLN A 41 -5.275 26.672 -5.845 1.00 9.93 N ATOM 399 CA GLN A 41 -6.529 27.197 -5.225 1.00 10.32 C ATOM 400 C GLN A 41 -7.560 26.107 -4.825 1.00 10.40 C ATOM 401 O GLN A 41 -8.719 26.424 -4.494 1.00 10.57 O ATOM 402 CB GLN A 41 -7.164 28.201 -6.171 1.00 10.59 C ATOM 403 CG GLN A 41 -6.265 29.376 -6.554 1.00 11.21 C ATOM 404 CD GLN A 41 -7.063 30.492 -7.192 1.00 12.57 C ATOM 405 OE1 GLN A 41 -7.763 31.211 -6.492 1.00 14.75 O ATOM 406 NE2 GLN A 41 -7.026 30.596 -8.508 1.00 12.99 N ATOM 407 HE22 GLN A 41 -6.415 29.963 -9.063 1.00 0.00 H ATOM 408 HE21 GLN A 41 -7.607 31.311 -8.990 1.00 0.00 H ATOM 409 H GLN A 41 -5.219 26.511 -6.871 1.00 0.00 H ATOM 410 N ALA A 42 -7.150 24.838 -4.894 1.00 9.94 N ATOM 411 CA ALA A 42 -8.059 23.729 -4.580 1.00 10.65 C ATOM 412 C ALA A 42 -8.541 23.799 -3.092 1.00 11.03 C ATOM 413 O ALA A 42 -7.766 24.056 -2.183 1.00 10.18 O ATOM 414 CB ALA A 42 -7.394 22.389 -4.881 1.00 9.95 C ATOM 415 H ALA A 42 -6.170 24.632 -5.175 1.00 0.00 H ATOM 416 N THR A 43 -9.839 23.677 -2.897 1.00 12.51 N ATOM 417 CA THR A 43 -10.460 23.628 -1.566 1.00 14.02 C ATOM 418 C THR A 43 -11.511 22.522 -1.617 1.00 14.73 C ATOM 419 O THR A 43 -12.154 22.291 -2.662 1.00 15.48 O ATOM 420 CB THR A 43 -11.169 24.953 -1.197 1.00 14.59 C ATOM 421 OG1 THR A 43 -12.135 25.238 -2.210 1.00 16.23 O ATOM 422 CG2 THR A 43 -10.180 26.118 -1.104 1.00 15.17 C ATOM 423 HG1 THR A 43 -11.679 25.327 -3.084 1.00 0.00 H ATOM 424 H THR A 43 -10.457 23.612 -3.731 1.00 0.00 H ATOM 425 N ASN A 44 -11.655 21.806 -0.518 1.00 15.59 N ATOM 426 CA ASN A 44 -12.661 20.749 -0.409 1.00 16.79 C ATOM 427 C ASN A 44 -13.094 20.669 1.019 1.00 16.20 C ATOM 428 O ASN A 44 -12.245 20.548 1.905 1.00 14.14 O ATOM 429 CB ASN A 44 -12.117 19.400 -0.841 1.00 19.22 C ATOM 430 CG ASN A 44 -11.821 19.354 -2.338 1.00 22.13 C ATOM 431 OD1 ASN A 44 -12.736 19.426 -3.177 1.00 24.24 O ATOM 432 ND2 ASN A 44 -10.533 19.291 -2.680 1.00 22.93 N ATOM 433 HD22 ASN A 44 -9.802 19.232 -1.943 1.00 0.00 H ATOM 434 HD21 ASN A 44 -10.260 19.301 -3.684 1.00 0.00 H ATOM 435 H ASN A 44 -11.035 21.999 0.295 1.00 0.00 H ATOM 436 N ARG A 45 -14.410 20.766 1.219 1.00 15.49 N ATOM 437 CA ARG A 45 -15.038 20.601 2.532 1.00 15.55 C ATOM 438 C ARG A 45 -15.025 19.121 2.897 1.00 16.45 C ATOM 439 O ARG A 45 -15.255 18.248 2.039 1.00 16.61 O ATOM 440 CB ARG A 45 -16.501 21.090 2.502 1.00 15.07 C ATOM 441 CG ARG A 45 -17.063 21.477 3.857 1.00 14.80 C ATOM 442 CD ARG A 45 -16.654 22.902 4.172 1.00 15.05 C ATOM 443 NE ARG A 45 -16.887 23.250 5.562 1.00 15.56 N ATOM 444 CZ ARG A 45 -17.836 24.072 5.997 1.00 16.36 C ATOM 445 NH1 ARG A 45 -18.673 24.683 5.152 1.00 17.93 N ATOM 446 NH2 ARG A 45 -17.918 24.320 7.282 1.00 15.96 N ATOM 447 HE ARG A 45 -16.261 22.822 6.274 1.00 0.00 H ATOM 448 HH12 ARG A 45 -19.407 25.322 5.518 1.00 0.00 H ATOM 449 HH11 ARG A 45 -18.590 24.519 4.128 1.00 0.00 H ATOM 450 HH22 ARG A 45 -18.654 24.961 7.642 1.00 0.00 H ATOM 451 HH21 ARG A 45 -17.247 23.876 7.941 1.00 0.00 H ATOM 452 H ARG A 45 -15.020 20.969 0.402 1.00 0.00 H ATOM 453 N ASN A 46 -14.722 18.844 4.160 1.00 17.58 N ATOM 454 CA ASN A 46 -14.818 17.509 4.720 1.00 18.77 C ATOM 455 C ASN A 46 -16.148 17.392 5.414 1.00 19.23 C ATOM 456 O ASN A 46 -16.695 18.391 5.862 1.00 18.22 O ATOM 457 CB ASN A 46 -13.669 17.276 5.702 1.00 19.65 C ATOM 458 CG ASN A 46 -12.310 17.520 5.061 1.00 21.54 C ATOM 459 OD1 ASN A 46 -11.483 18.321 5.533 1.00 21.41 O ATOM 460 ND2 ASN A 46 -12.097 16.870 3.945 1.00 22.39 N ATOM 461 HD22 ASN A 46 -12.814 16.209 3.583 1.00 0.00 H ATOM 462 HD21 ASN A 46 -11.211 17.015 3.420 1.00 0.00 H ATOM 463 H ASN A 46 -14.402 19.619 4.775 1.00 0.00 H ATOM 464 N THR A 47 -16.675 16.177 5.523 1.00 21.79 N ATOM 465 CA THR A 47 -18.014 15.987 6.095 1.00 23.60 C ATOM 466 C THR A 47 -18.077 16.468 7.553 1.00 22.52 C ATOM 467 O THR A 47 -19.124 16.902 8.016 1.00 23.79 O ATOM 468 CB THR A 47 -18.526 14.506 6.011 1.00 24.67 C ATOM 469 OG1 THR A 47 -17.480 13.603 6.348 1.00 29.31 O ATOM 470 CG2 THR A 47 -19.018 14.167 4.632 1.00 25.63 C ATOM 471 HG1 THR A 47 -16.727 13.722 5.717 1.00 0.00 H ATOM 472 H THR A 47 -16.133 15.351 5.199 1.00 0.00 H ATOM 473 N ASP A 48 -16.965 16.376 8.266 1.00 21.78 N ATOM 474 CA ASP A 48 -16.891 16.869 9.636 1.00 21.68 C ATOM 475 C ASP A 48 -16.865 18.388 9.762 1.00 21.08 C ATOM 476 O ASP A 48 -16.799 18.892 10.883 1.00 21.60 O ATOM 477 CB ASP A 48 -15.658 16.294 10.342 1.00 22.26 C ATOM 478 CG ASP A 48 -14.339 16.884 9.841 1.00 22.83 C ATOM 479 OD1 ASP A 48 -14.319 17.682 8.879 1.00 22.63 O ATOM 480 OD2 ASP A 48 -13.310 16.547 10.440 1.00 24.07 O ATOM 481 H ASP A 48 -16.123 15.941 7.838 1.00 0.00 H ATOM 482 N GLY A 49 -16.871 19.105 8.632 1.00 19.90 N ATOM 483 CA GLY A 49 -16.935 20.576 8.610 1.00 18.33 C ATOM 484 C GLY A 49 -15.592 21.269 8.488 1.00 17.26 C ATOM 485 O GLY A 49 -15.535 22.511 8.304 1.00 18.48 O ATOM 486 H GLY A 49 -16.828 18.598 7.725 1.00 0.00 H ATOM 487 N SER A 50 -14.486 20.529 8.604 1.00 15.88 N ATOM 488 CA SER A 50 -13.208 21.144 8.286 1.00 13.83 C ATOM 489 C SER A 50 -13.105 21.283 6.756 1.00 11.90 C ATOM 490 O SER A 50 -13.962 20.789 6.028 1.00 11.83 O ATOM 491 CB SER A 50 -12.028 20.333 8.838 1.00 14.07 C ATOM 492 OG SER A 50 -11.992 19.080 8.219 1.00 14.46 O ATOM 493 HG SER A 50 -12.838 18.599 8.402 1.00 0.00 H ATOM 494 H SER A 50 -14.538 19.538 8.914 1.00 0.00 H ATOM 495 N THR A 51 -12.065 21.973 6.311 1.00 10.43 N ATOM 496 CA THR A 51 -11.778 22.191 4.892 1.00 10.26 C ATOM 497 C THR A 51 -10.279 21.894 4.651 1.00 9.93 C ATOM 498 O THR A 51 -9.432 22.145 5.491 1.00 9.02 O ATOM 499 CB THR A 51 -12.222 23.613 4.453 1.00 10.06 C ATOM 500 OG1 THR A 51 -13.610 23.813 4.792 1.00 9.93 O ATOM 501 CG2 THR A 51 -12.084 23.864 2.970 1.00 10.21 C ATOM 502 HG1 THR A 51 -13.726 23.719 5.771 1.00 0.00 H ATOM 503 H THR A 51 -11.414 22.384 7.011 1.00 0.00 H ATOM 504 N ASP A 52 -10.011 21.320 3.491 1.00 10.02 N ATOM 505 CA ASP A 52 -8.683 21.120 2.961 1.00 10.41 C ATOM 506 C ASP A 52 -8.360 22.181 1.945 1.00 10.17 C ATOM 507 O ASP A 52 -9.195 22.495 1.077 1.00 9.52 O ATOM 508 CB ASP A 52 -8.594 19.778 2.264 1.00 11.53 C ATOM 509 CG ASP A 52 -8.900 18.641 3.179 1.00 12.20 C ATOM 510 OD1 ASP A 52 -8.513 18.681 4.352 1.00 12.06 O ATOM 511 OD2 ASP A 52 -9.528 17.691 2.703 1.00 14.46 O ATOM 512 H ASP A 52 -10.814 20.989 2.919 1.00 0.00 H ATOM 513 N TYR A 53 -7.151 22.728 2.086 1.00 9.98 N ATOM 514 CA TYR A 53 -6.687 23.875 1.328 1.00 10.08 C ATOM 515 C TYR A 53 -5.411 23.638 0.551 1.00 10.16 C ATOM 516 O TYR A 53 -4.458 23.065 1.071 1.00 9.24 O ATOM 517 CB TYR A 53 -6.435 25.044 2.270 1.00 10.54 C ATOM 518 CG TYR A 53 -7.691 25.530 2.918 1.00 10.82 C ATOM 519 CD1 TYR A 53 -8.102 24.994 4.122 1.00 10.68 C ATOM 520 CD2 TYR A 53 -8.445 26.568 2.349 1.00 11.05 C ATOM 521 CE1 TYR A 53 -9.230 25.455 4.762 1.00 10.91 C ATOM 522 CE2 TYR A 53 -9.616 27.002 2.959 1.00 11.04 C ATOM 523 CZ TYR A 53 -9.988 26.453 4.176 1.00 11.23 C ATOM 524 OH TYR A 53 -11.132 26.864 4.842 1.00 12.07 O ATOM 525 HH TYR A 53 -11.221 26.355 5.687 1.00 0.00 H ATOM 526 H TYR A 53 -6.502 22.307 2.781 1.00 0.00 H ATOM 527 N GLY A 54 -5.424 24.046 -0.722 1.00 10.53 N ATOM 528 CA GLY A 54 -4.219 24.084 -1.560 1.00 10.83 C ATOM 529 C GLY A 54 -3.684 22.812 -2.200 1.00 11.72 C ATOM 530 O GLY A 54 -4.359 21.764 -2.194 1.00 11.00 O ATOM 531 H GLY A 54 -6.328 24.350 -1.137 1.00 0.00 H ATOM 532 N ILE A 55 -2.481 22.949 -2.786 1.00 12.88 N ATOM 533 CA ILE A 55 -1.815 21.877 -3.543 1.00 14.46 C ATOM 534 C ILE A 55 -1.741 20.573 -2.770 1.00 14.38 C ATOM 535 O ILE A 55 -1.877 19.512 -3.355 1.00 14.42 O ATOM 536 CB ILE A 55 -0.350 22.183 -4.018 1.00 16.06 C ATOM 537 CG1 ILE A 55 0.487 22.868 -2.924 1.00 17.38 C ATOM 538 CG2 ILE A 55 -0.334 22.943 -5.333 1.00 16.48 C ATOM 539 CD1 ILE A 55 1.953 22.430 -2.959 1.00 18.45 C ATOM 540 H ILE A 55 -1.994 23.864 -2.699 1.00 0.00 H ATOM 541 N LEU A 56 -1.532 20.653 -1.455 1.00 14.40 N ATOM 542 CA LEU A 56 -1.391 19.455 -0.639 1.00 13.44 C ATOM 543 C LEU A 56 -2.555 19.290 0.338 1.00 12.43 C ATOM 544 O LEU A 56 -2.468 18.538 1.304 1.00 12.00 O ATOM 545 CB LEU A 56 -0.028 19.466 0.067 1.00 13.73 C ATOM 546 CG LEU A 56 1.143 19.050 -0.852 1.00 13.76 C ATOM 547 CD1 LEU A 56 2.511 19.333 -0.204 1.00 13.39 C ATOM 548 CD2 LEU A 56 1.030 17.573 -1.207 1.00 13.68 C ATOM 549 H LEU A 56 -1.469 21.588 -1.004 1.00 0.00 H ATOM 550 N GLN A 57 -3.649 19.985 0.054 1.00 11.32 N ATOM 551 CA GLN A 57 -4.904 19.803 0.742 1.00 11.63 C ATOM 552 C GLN A 57 -4.735 19.728 2.268 1.00 11.51 C ATOM 553 O GLN A 57 -5.190 18.802 2.918 1.00 11.87 O ATOM 554 CB GLN A 57 -5.627 18.565 0.194 1.00 11.96 C ATOM 555 CG GLN A 57 -6.250 18.839 -1.171 1.00 11.70 C ATOM 556 CD GLN A 57 -7.344 19.867 -1.102 1.00 11.94 C ATOM 557 OE1 GLN A 57 -8.467 19.513 -0.906 1.00 12.40 O ATOM 558 NE2 GLN A 57 -7.032 21.145 -1.339 1.00 12.24 N ATOM 559 HE22 GLN A 57 -6.042 21.416 -1.505 1.00 0.00 H ATOM 560 HE21 GLN A 57 -7.779 21.868 -1.357 1.00 0.00 H ATOM 561 H GLN A 57 -3.599 20.697 -0.703 1.00 0.00 H ATOM 562 N ILE A 58 -4.124 20.761 2.800 1.00 11.57 N ATOM 563 CA ILE A 58 -3.882 20.885 4.240 1.00 11.78 C ATOM 564 C ILE A 58 -5.180 21.249 4.923 1.00 12.95 C ATOM 565 O ILE A 58 -5.965 22.102 4.458 1.00 11.96 O ATOM 566 CB ILE A 58 -2.686 21.838 4.468 1.00 11.58 C ATOM 567 CG1 ILE A 58 -1.411 21.176 3.911 1.00 11.21 C ATOM 568 CG2 ILE A 58 -2.488 22.170 5.917 1.00 11.53 C ATOM 569 CD1 ILE A 58 -0.234 22.124 3.784 1.00 10.81 C ATOM 570 H ILE A 58 -3.798 21.524 2.173 1.00 0.00 H ATOM 571 N ASN A 59 -5.420 20.576 6.034 1.00 14.50 N ATOM 572 CA ASN A 59 -6.727 20.529 6.624 1.00 15.89 C ATOM 573 C ASN A 59 -6.862 21.457 7.842 1.00 15.13 C ATOM 574 O ASN A 59 -5.964 21.484 8.696 1.00 16.49 O ATOM 575 CB ASN A 59 -7.010 19.067 6.957 1.00 17.36 C ATOM 576 CG ASN A 59 -7.840 18.908 8.173 1.00 19.86 C ATOM 577 OD1 ASN A 59 -9.063 18.762 8.082 1.00 22.90 O ATOM 578 ND2 ASN A 59 -7.177 18.940 9.354 1.00 21.44 N ATOM 579 HD22 ASN A 59 -6.145 19.066 9.368 1.00 0.00 H ATOM 580 HD21 ASN A 59 -7.700 18.839 10.247 1.00 0.00 H ATOM 581 H ASN A 59 -4.639 20.066 6.494 1.00 0.00 H ATOM 582 N SER A 60 -7.964 22.209 7.924 1.00 13.73 N ATOM 583 CA SER A 60 -8.135 23.212 8.975 1.00 14.21 C ATOM 584 C SER A 60 -8.451 22.603 10.341 1.00 15.65 C ATOM 585 O SER A 60 -8.410 23.322 11.315 1.00 16.47 O ATOM 586 CB SER A 60 -9.278 24.170 8.657 1.00 13.40 C ATOM 587 OG SER A 60 -10.498 23.441 8.543 1.00 12.41 O ATOM 588 HG SER A 60 -11.237 24.067 8.337 1.00 0.00 H ATOM 589 H SER A 60 -8.720 22.078 7.222 1.00 0.00 H ATOM 590 N ARG A 61 -8.868 21.334 10.394 1.00 17.89 N ATOM 591 CA ARG A 61 -9.098 20.663 11.707 1.00 20.28 C ATOM 592 C ARG A 61 -7.861 20.647 12.631 1.00 19.72 C ATOM 593 O ARG A 61 -8.047 20.617 13.832 1.00 20.21 O ATOM 594 CB ARG A 61 -9.705 19.243 11.543 1.00 21.93 C ATOM 595 CG ARG A 61 -9.597 18.300 12.764 1.00 24.62 C ATOM 596 CD ARG A 61 -10.178 18.929 14.041 1.00 27.59 C ATOM 597 NE ARG A 61 -10.003 18.137 15.280 1.00 30.03 N ATOM 598 CZ ARG A 61 -9.211 18.448 16.317 1.00 31.94 C ATOM 599 NH1 ARG A 61 -8.425 19.530 16.322 1.00 32.48 N ATOM 600 NH2 ARG A 61 -9.190 17.641 17.376 1.00 33.78 N ATOM 601 HE ARG A 61 -10.547 17.254 15.353 1.00 0.00 H ATOM 602 HH12 ARG A 61 -7.826 19.734 17.147 1.00 0.00 H ATOM 603 HH11 ARG A 61 -8.413 20.168 15.500 1.00 0.00 H ATOM 604 HH22 ARG A 61 -8.582 17.866 18.189 1.00 0.00 H ATOM 605 HH21 ARG A 61 -9.781 16.786 17.390 1.00 0.00 H ATOM 606 H ARG A 61 -9.034 20.809 9.512 1.00 0.00 H ATOM 607 N TRP A 62 -6.635 20.666 12.081 1.00 18.59 N ATOM 608 CA TRP A 62 -5.387 20.696 12.847 1.00 18.43 C ATOM 609 C TRP A 62 -4.379 21.790 12.511 1.00 17.06 C ATOM 610 O TRP A 62 -3.728 22.294 13.420 1.00 16.55 O ATOM 611 CB TRP A 62 -4.647 19.368 12.656 1.00 19.93 C ATOM 612 CG TRP A 62 -5.276 18.325 13.410 1.00 20.81 C ATOM 613 CD1 TRP A 62 -5.950 17.261 12.926 1.00 21.98 C ATOM 614 CD2 TRP A 62 -5.370 18.263 14.838 1.00 23.61 C ATOM 615 NE1 TRP A 62 -6.431 16.497 13.963 1.00 22.75 N ATOM 616 CE2 TRP A 62 -6.107 17.106 15.150 1.00 24.16 C ATOM 617 CE3 TRP A 62 -4.895 19.072 15.880 1.00 23.49 C ATOM 618 CZ2 TRP A 62 -6.373 16.719 16.471 1.00 25.70 C ATOM 619 CZ3 TRP A 62 -5.176 18.696 17.206 1.00 24.56 C ATOM 620 CH2 TRP A 62 -5.913 17.531 17.480 1.00 23.88 C ATOM 621 HE1 TRP A 62 -6.955 15.604 13.864 1.00 0.00 H ATOM 622 H TRP A 62 -6.568 20.659 11.043 1.00 0.00 H ATOM 623 N TRP A 63 -4.239 22.119 11.216 1.00 15.13 N ATOM 624 CA TRP A 63 -3.055 22.814 10.671 1.00 14.84 C ATOM 625 C TRP A 63 -3.137 24.317 10.407 1.00 13.44 C ATOM 626 O TRP A 63 -2.136 25.023 10.585 1.00 13.18 O ATOM 627 CB TRP A 63 -2.539 22.090 9.408 1.00 14.38 C ATOM 628 CG TRP A 63 -2.301 20.641 9.693 1.00 15.06 C ATOM 629 CD1 TRP A 63 -3.035 19.595 9.241 1.00 14.86 C ATOM 630 CD2 TRP A 63 -1.320 20.092 10.595 1.00 15.06 C ATOM 631 NE1 TRP A 63 -2.562 18.431 9.769 1.00 16.54 N ATOM 632 CE2 TRP A 63 -1.518 18.699 10.618 1.00 16.10 C ATOM 633 CE3 TRP A 63 -0.288 20.648 11.371 1.00 16.04 C ATOM 634 CZ2 TRP A 63 -0.695 17.825 11.378 1.00 16.22 C ATOM 635 CZ3 TRP A 63 0.525 19.799 12.132 1.00 15.82 C ATOM 636 CH2 TRP A 63 0.314 18.398 12.128 1.00 16.34 C ATOM 637 HE1 TRP A 63 -2.936 17.483 9.560 1.00 0.00 H ATOM 638 H TRP A 63 -5.007 21.870 10.561 1.00 0.00 H ATOM 639 N CYS A 64 -4.286 24.830 10.001 1.00 12.23 N ATOM 640 CA CYS A 64 -4.353 26.241 9.587 1.00 12.17 C ATOM 641 C CYS A 64 -5.696 26.780 10.056 1.00 12.21 C ATOM 642 O CYS A 64 -6.625 26.000 10.325 1.00 11.69 O ATOM 643 CB CYS A 64 -4.214 26.373 8.069 1.00 12.50 C ATOM 644 SG CYS A 64 -5.576 25.556 7.175 1.00 12.65 S ATOM 645 H CYS A 64 -5.141 24.238 9.974 1.00 0.00 H ATOM 646 N ASN A 65 -5.786 28.095 10.231 1.00 12.95 N ATOM 647 CA ASN A 65 -7.042 28.692 10.746 1.00 13.13 C ATOM 648 C ASN A 65 -7.912 29.208 9.628 1.00 12.77 C ATOM 649 O ASN A 65 -7.451 29.991 8.849 1.00 14.06 O ATOM 650 CB ASN A 65 -6.790 29.841 11.725 1.00 13.57 C ATOM 651 CG ASN A 65 -8.100 30.465 12.210 1.00 13.72 C ATOM 652 OD1 ASN A 65 -9.004 29.752 12.580 1.00 14.56 O ATOM 653 ND2 ASN A 65 -8.228 31.784 12.106 1.00 14.70 N ATOM 654 HD22 ASN A 65 -7.425 32.361 11.784 1.00 0.00 H ATOM 655 HD21 ASN A 65 -9.131 32.239 12.347 1.00 0.00 H ATOM 656 H ASN A 65 -4.975 28.706 10.006 1.00 0.00 H ATOM 657 N ASP A 66 -9.165 28.757 9.555 1.00 13.46 N ATOM 658 CA ASP A 66 -10.145 29.303 8.622 1.00 13.22 C ATOM 659 C ASP A 66 -11.318 30.013 9.299 1.00 13.94 C ATOM 660 O ASP A 66 -12.173 30.580 8.642 1.00 13.38 O ATOM 661 CB ASP A 66 -10.599 28.249 7.612 1.00 12.53 C ATOM 662 CG ASP A 66 -11.425 27.118 8.218 1.00 12.20 C ATOM 663 OD1 ASP A 66 -11.826 27.129 9.427 1.00 11.72 O ATOM 664 OD2 ASP A 66 -11.711 26.234 7.394 1.00 11.03 O ATOM 665 H ASP A 66 -9.455 27.985 10.189 1.00 0.00 H ATOM 666 N GLY A 67 -11.295 30.027 10.623 1.00 14.62 N ATOM 667 CA GLY A 67 -12.325 30.641 11.416 1.00 15.59 C ATOM 668 C GLY A 67 -13.680 29.995 11.411 1.00 16.33 C ATOM 669 O GLY A 67 -14.633 30.579 11.942 1.00 17.78 O ATOM 670 H GLY A 67 -10.496 29.574 11.111 1.00 0.00 H ATOM 671 N ARG A 68 -13.829 28.846 10.772 1.00 16.28 N ATOM 672 CA ARG A 68 -15.115 28.179 10.757 1.00 16.94 C ATOM 673 C ARG A 68 -15.047 26.717 11.065 1.00 17.22 C ATOM 674 O ARG A 68 -15.946 25.974 10.669 1.00 21.42 O ATOM 675 CB ARG A 68 -15.802 28.369 9.404 1.00 17.25 C ATOM 676 CG ARG A 68 -15.078 27.746 8.227 1.00 17.77 C ATOM 677 CD ARG A 68 -16.011 27.652 7.037 1.00 17.81 C ATOM 678 NE ARG A 68 -15.563 26.713 6.009 1.00 18.32 N ATOM 679 CZ ARG A 68 -15.989 26.720 4.738 1.00 18.92 C ATOM 680 NH1 ARG A 68 -16.859 27.640 4.321 1.00 21.39 N ATOM 681 NH2 ARG A 68 -15.549 25.820 3.870 1.00 18.31 N ATOM 682 HE ARG A 68 -14.867 25.991 6.283 1.00 0.00 H ATOM 683 HH12 ARG A 68 -17.184 27.638 3.333 1.00 0.00 H ATOM 684 HH11 ARG A 68 -17.212 28.360 4.984 1.00 0.00 H ATOM 685 HH22 ARG A 68 -15.888 25.837 2.887 1.00 0.00 H ATOM 686 HH21 ARG A 68 -14.865 25.097 4.172 1.00 0.00 H ATOM 687 H ARG A 68 -13.019 28.420 10.278 1.00 0.00 H ATOM 688 N THR A 69 -14.010 26.291 11.760 1.00 16.85 N ATOM 689 CA THR A 69 -13.821 24.878 12.082 1.00 17.46 C ATOM 690 C THR A 69 -13.818 24.740 13.623 1.00 18.89 C ATOM 691 O THR A 69 -12.762 24.841 14.248 1.00 19.77 O ATOM 692 CB THR A 69 -12.527 24.293 11.410 1.00 17.17 C ATOM 693 OG1 THR A 69 -12.522 24.595 9.984 1.00 14.80 O ATOM 694 CG2 THR A 69 -12.498 22.788 11.586 1.00 16.72 C ATOM 695 HG1 THR A 69 -11.703 24.222 9.572 1.00 0.00 H ATOM 696 H THR A 69 -13.305 26.982 12.089 1.00 0.00 H ATOM 697 N PRO A 70 -15.011 24.545 14.231 1.00 21.71 N ATOM 698 CA PRO A 70 -15.139 24.527 15.690 1.00 23.85 C ATOM 699 C PRO A 70 -14.317 23.445 16.293 1.00 24.37 C ATOM 700 O PRO A 70 -14.458 22.299 15.908 1.00 28.78 O ATOM 701 CB PRO A 70 -16.633 24.210 15.900 1.00 23.74 C ATOM 702 CG PRO A 70 -17.276 24.888 14.749 1.00 23.22 C ATOM 703 CD PRO A 70 -16.345 24.564 13.609 1.00 23.07 C ATOM 704 N GLY A 71 -13.455 23.808 17.230 1.00 27.42 N ATOM 705 CA GLY A 71 -12.664 22.837 17.970 1.00 29.23 C ATOM 706 C GLY A 71 -11.318 22.603 17.361 1.00 31.57 C ATOM 707 O GLY A 71 -10.463 21.983 17.974 1.00 37.03 O ATOM 708 H GLY A 71 -13.340 24.819 17.444 1.00 0.00 H ATOM 709 N SER A 72 -11.115 23.102 16.147 1.00 33.71 N ATOM 710 CA SER A 72 -9.885 22.846 15.416 1.00 33.01 C ATOM 711 C SER A 72 -8.672 23.483 16.095 1.00 32.71 C ATOM 712 O SER A 72 -8.819 24.242 17.030 1.00 33.28 O ATOM 713 CB SER A 72 -10.002 23.420 14.009 1.00 33.14 C ATOM 714 OG SER A 72 -9.919 24.845 14.025 1.00 33.14 O ATOM 715 HG SER A 72 -9.048 25.119 14.407 1.00 0.00 H ATOM 716 H SER A 72 -11.853 23.689 15.709 1.00 0.00 H ATOM 717 N ARG A 73 -7.483 23.168 15.577 1.00 29.87 N ATOM 718 CA ARG A 73 -6.236 23.852 15.925 1.00 26.67 C ATOM 719 C ARG A 73 -5.599 24.475 14.671 1.00 24.83 C ATOM 720 O ARG A 73 -6.115 24.325 13.536 1.00 28.06 O ATOM 721 CB ARG A 73 -5.262 22.847 16.593 1.00 26.74 C ATOM 722 CG ARG A 73 -5.814 22.163 17.846 1.00 27.57 C ATOM 723 CD ARG A 73 -5.527 22.969 19.102 1.00 27.58 C ATOM 724 NE ARG A 73 -4.080 22.991 19.347 1.00 29.00 N ATOM 725 CZ ARG A 73 -3.409 22.122 20.109 1.00 28.41 C ATOM 726 NH1 ARG A 73 -4.037 21.154 20.768 1.00 29.56 N ATOM 727 NH2 ARG A 73 -2.088 22.239 20.235 1.00 29.20 N ATOM 728 HE ARG A 73 -3.531 23.746 18.889 1.00 0.00 H ATOM 729 HH12 ARG A 73 -3.495 20.489 21.355 1.00 0.00 H ATOM 730 HH11 ARG A 73 -5.070 21.062 20.696 1.00 0.00 H ATOM 731 HH22 ARG A 73 -1.560 21.566 20.827 1.00 0.00 H ATOM 732 HH21 ARG A 73 -1.584 23.004 19.742 1.00 0.00 H ATOM 733 H ARG A 73 -7.440 22.392 14.886 1.00 0.00 H ATOM 734 N ASN A 74 -4.476 25.169 14.867 1.00 20.80 N ATOM 735 CA ASN A 74 -3.792 25.914 13.798 1.00 18.31 C ATOM 736 C ASN A 74 -2.276 25.745 14.026 1.00 17.29 C ATOM 737 O ASN A 74 -1.569 26.699 14.334 1.00 15.65 O ATOM 738 CB ASN A 74 -4.177 27.408 13.863 1.00 17.46 C ATOM 739 CG ASN A 74 -3.404 28.281 12.859 1.00 16.85 C ATOM 740 OD1 ASN A 74 -2.810 27.795 11.901 1.00 14.98 O ATOM 741 ND2 ASN A 74 -3.431 29.576 13.079 1.00 17.06 N ATOM 742 HD22 ASN A 74 -3.944 29.953 13.901 1.00 0.00 H ATOM 743 HD21 ASN A 74 -2.939 30.224 12.431 1.00 0.00 H ATOM 744 H ASN A 74 -4.064 25.184 15.822 1.00 0.00 H ATOM 745 N LEU A 75 -1.821 24.504 13.907 1.00 17.32 N ATOM 746 CA LEU A 75 -0.452 24.097 14.288 1.00 19.28 C ATOM 747 C LEU A 75 0.655 24.623 13.361 1.00 18.27 C ATOM 748 O LEU A 75 1.849 24.592 13.712 1.00 18.73 O ATOM 749 CB LEU A 75 -0.395 22.565 14.406 1.00 20.29 C ATOM 750 CG LEU A 75 -1.255 21.954 15.515 1.00 21.32 C ATOM 751 CD1 LEU A 75 -1.160 20.430 15.592 1.00 22.09 C ATOM 752 CD2 LEU A 75 -0.859 22.554 16.844 1.00 21.72 C ATOM 753 H LEU A 75 -2.462 23.779 13.525 1.00 0.00 H ATOM 754 N CYS A 76 0.261 25.112 12.184 1.00 17.16 N ATOM 755 CA CYS A 76 1.196 25.765 11.268 1.00 17.30 C ATOM 756 C CYS A 76 1.230 27.281 11.432 1.00 18.52 C ATOM 757 O CYS A 76 2.098 27.963 10.830 1.00 18.90 O ATOM 758 CB CYS A 76 0.903 25.350 9.819 1.00 15.90 C ATOM 759 SG CYS A 76 1.243 23.586 9.538 1.00 15.08 S ATOM 760 H CYS A 76 -0.739 25.027 11.910 1.00 0.00 H ATOM 761 N ASN A 77 0.325 27.794 12.277 1.00 19.61 N ATOM 762 CA ASN A 77 0.197 29.238 12.589 1.00 20.95 C ATOM 763 C ASN A 77 0.031 30.121 11.381 1.00 19.51 C ATOM 764 O ASN A 77 0.741 31.109 11.194 1.00 19.68 O ATOM 765 CB ASN A 77 1.365 29.715 13.471 1.00 22.80 C ATOM 766 CG ASN A 77 1.279 29.149 14.889 1.00 23.77 C ATOM 767 OD1 ASN A 77 0.305 29.395 15.612 1.00 25.29 O ATOM 768 ND2 ASN A 77 2.283 28.377 15.284 1.00 25.84 N ATOM 769 HD22 ASN A 77 3.083 28.196 14.644 1.00 0.00 H ATOM 770 HD21 ASN A 77 2.270 27.953 16.233 1.00 0.00 H ATOM 771 H ASN A 77 -0.331 27.136 12.745 1.00 0.00 H ATOM 772 N ILE A 78 -0.944 29.745 10.560 1.00 18.59 N ATOM 773 CA ILE A 78 -1.263 30.431 9.325 1.00 17.18 C ATOM 774 C ILE A 78 -2.749 30.418 9.047 1.00 16.62 C ATOM 775 O ILE A 78 -3.419 29.404 9.287 1.00 17.14 O ATOM 776 CB ILE A 78 -0.640 29.718 8.103 1.00 16.87 C ATOM 777 CG1 ILE A 78 -0.867 28.199 8.213 1.00 16.38 C ATOM 778 CG2 ILE A 78 0.805 30.109 7.947 1.00 17.24 C ATOM 779 CD1 ILE A 78 -0.810 27.472 6.910 1.00 16.51 C ATOM 780 H ILE A 78 -1.510 28.912 10.819 1.00 0.00 H ATOM 781 N PRO A 79 -3.263 31.506 8.474 1.00 16.73 N ATOM 782 CA PRO A 79 -4.600 31.371 7.877 1.00 15.78 C ATOM 783 C PRO A 79 -4.557 30.374 6.732 1.00 14.69 C ATOM 784 O PRO A 79 -3.584 30.321 5.957 1.00 13.38 O ATOM 785 CB PRO A 79 -4.898 32.762 7.330 1.00 16.83 C ATOM 786 CG PRO A 79 -3.578 33.437 7.221 1.00 17.49 C ATOM 787 CD PRO A 79 -2.683 32.849 8.260 1.00 17.25 C ATOM 788 N CYS A 80 -5.584 29.553 6.646 1.00 14.54 N ATOM 789 CA CYS A 80 -5.686 28.613 5.532 1.00 13.59 C ATOM 790 C CYS A 80 -5.633 29.260 4.175 1.00 14.29 C ATOM 791 O CYS A 80 -5.275 28.600 3.212 1.00 12.66 O ATOM 792 CB CYS A 80 -6.980 27.825 5.628 1.00 12.95 C ATOM 793 SG CYS A 80 -7.133 26.885 7.147 1.00 11.77 S ATOM 794 H CYS A 80 -6.326 29.574 7.375 1.00 0.00 H ATOM 795 N SER A 81 -6.064 30.529 4.069 1.00 16.15 N ATOM 796 CA SER A 81 -5.995 31.235 2.788 1.00 16.82 C ATOM 797 C SER A 81 -4.568 31.260 2.232 1.00 17.78 C ATOM 798 O SER A 81 -4.373 31.279 1.031 1.00 18.82 O ATOM 799 CB SER A 81 -6.498 32.674 2.930 1.00 17.63 C ATOM 800 OG SER A 81 -5.736 33.430 3.881 1.00 17.33 O ATOM 801 HG SER A 81 -4.790 33.464 3.592 1.00 0.00 H ATOM 802 H SER A 81 -6.450 31.014 4.904 1.00 0.00 H ATOM 803 N ALA A 82 -3.576 31.274 3.116 1.00 18.25 N ATOM 804 CA ALA A 82 -2.173 31.416 2.733 1.00 17.27 C ATOM 805 C ALA A 82 -1.652 30.167 2.055 1.00 17.02 C ATOM 806 O ALA A 82 -0.646 30.206 1.318 1.00 17.27 O ATOM 807 CB ALA A 82 -1.329 31.742 3.983 1.00 17.97 C ATOM 808 H ALA A 82 -3.808 31.180 4.125 1.00 0.00 H ATOM 809 N LEU A 83 -2.376 29.065 2.268 1.00 15.04 N ATOM 810 CA LEU A 83 -2.139 27.832 1.571 1.00 15.06 C ATOM 811 C LEU A 83 -2.632 27.812 0.127 1.00 15.20 C ATOM 812 O LEU A 83 -2.394 26.813 -0.560 1.00 16.02 O ATOM 813 CB LEU A 83 -2.769 26.670 2.349 1.00 14.50 C ATOM 814 CG LEU A 83 -2.257 26.416 3.769 1.00 14.43 C ATOM 815 CD1 LEU A 83 -3.112 25.383 4.504 1.00 13.91 C ATOM 816 CD2 LEU A 83 -0.831 25.931 3.669 1.00 14.73 C ATOM 817 H LEU A 83 -3.144 29.101 2.968 1.00 0.00 H ATOM 818 N LEU A 84 -3.315 28.876 -0.325 1.00 15.57 N ATOM 819 CA LEU A 84 -3.870 28.969 -1.686 1.00 16.50 C ATOM 820 C LEU A 84 -3.064 29.852 -2.651 1.00 17.86 C ATOM 821 O LEU A 84 -3.383 29.968 -3.861 1.00 20.17 O ATOM 822 CB LEU A 84 -5.304 29.506 -1.597 1.00 16.96 C ATOM 823 CG LEU A 84 -6.277 28.673 -0.794 1.00 17.86 C ATOM 824 CD1 LEU A 84 -7.656 29.309 -0.940 1.00 19.84 C ATOM 825 CD2 LEU A 84 -6.324 27.222 -1.250 1.00 17.58 C ATOM 826 H LEU A 84 -3.460 29.678 0.321 1.00 0.00 H ATOM 827 N SER A 85 -2.027 30.474 -2.107 1.00 19.10 N ATOM 828 CA SER A 85 -1.112 31.300 -2.853 1.00 19.99 C ATOM 829 C SER A 85 -0.489 30.609 -4.067 1.00 19.56 C ATOM 830 O SER A 85 -0.273 29.403 -4.068 1.00 17.59 O ATOM 831 CB SER A 85 0.014 31.741 -1.929 1.00 21.64 C ATOM 832 OG SER A 85 0.919 32.551 -2.650 1.00 23.81 O ATOM 833 HG SER A 85 1.652 32.839 -2.050 1.00 0.00 H ATOM 834 H SER A 85 -1.865 30.359 -1.086 1.00 0.00 H ATOM 835 N SER A 86 -0.174 31.415 -5.080 1.00 20.28 N ATOM 836 CA SER A 86 0.640 30.981 -6.218 1.00 21.20 C ATOM 837 C SER A 86 1.984 30.457 -5.754 1.00 19.78 C ATOM 838 O SER A 86 2.485 29.452 -6.278 1.00 20.59 O ATOM 839 CB SER A 86 0.869 32.157 -7.169 1.00 23.11 C ATOM 840 OG SER A 86 -0.281 32.362 -7.968 1.00 26.19 O ATOM 841 HG SER A 86 -1.056 32.560 -7.384 1.00 0.00 H ATOM 842 H SER A 86 -0.521 32.395 -5.062 1.00 0.00 H ATOM 843 N ASP A 87 2.547 31.159 -4.772 1.00 17.29 N ATOM 844 CA ASP A 87 3.777 30.781 -4.104 1.00 17.00 C ATOM 845 C ASP A 87 3.570 29.739 -2.990 1.00 15.71 C ATOM 846 O ASP A 87 2.898 29.986 -1.979 1.00 14.38 O ATOM 847 CB ASP A 87 4.445 32.016 -3.506 1.00 17.58 C ATOM 848 CG ASP A 87 5.842 31.726 -2.999 1.00 18.11 C ATOM 849 OD1 ASP A 87 5.983 31.005 -1.987 1.00 16.51 O ATOM 850 OD2 ASP A 87 6.794 32.255 -3.623 1.00 20.23 O ATOM 851 H ASP A 87 2.075 32.033 -4.465 1.00 0.00 H ATOM 852 N ILE A 88 4.249 28.613 -3.147 1.00 15.71 N ATOM 853 CA ILE A 88 3.944 27.391 -2.382 1.00 15.45 C ATOM 854 C ILE A 88 4.659 27.357 -1.040 1.00 14.26 C ATOM 855 O ILE A 88 4.540 26.408 -0.297 1.00 14.73 O ATOM 856 CB ILE A 88 4.267 26.120 -3.201 1.00 15.38 C ATOM 857 CG1 ILE A 88 5.792 25.934 -3.408 1.00 15.85 C ATOM 858 CG2 ILE A 88 3.567 26.189 -4.571 1.00 15.40 C ATOM 859 CD1 ILE A 88 6.130 24.559 -3.934 1.00 16.02 C ATOM 860 H ILE A 88 5.027 28.590 -3.837 1.00 0.00 H ATOM 861 N THR A 89 5.387 28.418 -0.717 1.00 14.78 N ATOM 862 CA THR A 89 6.173 28.454 0.508 1.00 13.86 C ATOM 863 C THR A 89 5.422 28.043 1.750 1.00 13.79 C ATOM 864 O THR A 89 5.941 27.268 2.560 1.00 13.01 O ATOM 865 CB THR A 89 6.749 29.862 0.752 1.00 14.29 C ATOM 866 OG1 THR A 89 7.610 30.190 -0.318 1.00 14.26 O ATOM 867 CG2 THR A 89 7.523 29.920 2.045 1.00 14.75 C ATOM 868 HG1 THR A 89 7.100 30.177 -1.166 1.00 0.00 H ATOM 869 H THR A 89 5.396 29.241 -1.352 1.00 0.00 H ATOM 870 N ALA A 90 4.220 28.598 1.928 1.00 12.75 N ATOM 871 CA ALA A 90 3.451 28.389 3.129 1.00 13.03 C ATOM 872 C ALA A 90 2.989 26.935 3.197 1.00 12.48 C ATOM 873 O ALA A 90 3.044 26.346 4.258 1.00 11.83 O ATOM 874 CB ALA A 90 2.227 29.334 3.196 1.00 12.85 C ATOM 875 H ALA A 90 3.827 29.200 1.176 1.00 0.00 H ATOM 876 N SER A 91 2.525 26.400 2.066 1.00 11.92 N ATOM 877 CA SER A 91 2.130 24.984 1.967 1.00 12.01 C ATOM 878 C SER A 91 3.295 24.044 2.213 1.00 11.56 C ATOM 879 O SER A 91 3.155 23.052 2.921 1.00 11.34 O ATOM 880 CB SER A 91 1.529 24.683 0.599 1.00 12.05 C ATOM 881 OG SER A 91 0.175 25.102 0.565 1.00 11.97 O ATOM 882 HG SER A 91 -0.337 24.618 1.261 1.00 0.00 H ATOM 883 H SER A 91 2.439 27.004 1.224 1.00 0.00 H ATOM 884 N VAL A 92 4.444 24.362 1.637 1.00 12.06 N ATOM 885 CA VAL A 92 5.619 23.548 1.842 1.00 12.04 C ATOM 886 C VAL A 92 6.040 23.549 3.341 1.00 14.00 C ATOM 887 O VAL A 92 6.303 22.479 3.919 1.00 13.40 O ATOM 888 CB VAL A 92 6.755 23.917 0.879 1.00 12.00 C ATOM 889 CG1 VAL A 92 8.068 23.277 1.347 1.00 11.71 C ATOM 890 CG2 VAL A 92 6.391 23.443 -0.519 1.00 12.39 C ATOM 891 H VAL A 92 4.501 25.206 1.031 1.00 0.00 H ATOM 892 N ASN A 93 6.079 24.715 3.970 1.00 15.55 N ATOM 893 CA ASN A 93 6.423 24.778 5.408 1.00 17.00 C ATOM 894 C ASN A 93 5.491 23.991 6.343 1.00 16.41 C ATOM 895 O ASN A 93 5.943 23.323 7.301 1.00 15.26 O ATOM 896 CB ASN A 93 6.475 26.222 5.908 1.00 19.44 C ATOM 897 CG ASN A 93 7.664 26.996 5.359 1.00 21.88 C ATOM 898 OD1 ASN A 93 7.685 28.246 5.437 1.00 26.49 O ATOM 899 ND2 ASN A 93 8.624 26.298 4.766 1.00 21.93 N ATOM 900 HD22 ASN A 93 8.563 25.261 4.726 1.00 0.00 H ATOM 901 HD21 ASN A 93 9.437 26.788 4.342 1.00 0.00 H ATOM 902 H ASN A 93 5.867 25.590 3.450 1.00 0.00 H ATOM 903 N CYS A 94 4.203 24.089 6.076 1.00 14.23 N ATOM 904 CA CYS A 94 3.235 23.352 6.829 1.00 14.55 C ATOM 905 C CYS A 94 3.263 21.858 6.502 1.00 13.22 C ATOM 906 O CYS A 94 3.087 21.014 7.385 1.00 12.53 O ATOM 907 CB CYS A 94 1.861 23.954 6.594 1.00 14.96 C ATOM 908 SG CYS A 94 0.595 23.283 7.650 1.00 16.35 S ATOM 909 H CYS A 94 3.886 24.712 5.306 1.00 0.00 H ATOM 910 N ALA A 95 3.514 21.514 5.241 1.00 12.82 N ATOM 911 CA ALA A 95 3.643 20.110 4.883 1.00 12.03 C ATOM 912 C ALA A 95 4.849 19.458 5.586 1.00 12.09 C ATOM 913 O ALA A 95 4.798 18.283 5.936 1.00 10.51 O ATOM 914 CB ALA A 95 3.757 19.930 3.375 1.00 11.93 C ATOM 915 H ALA A 95 3.618 22.249 4.512 1.00 0.00 H ATOM 916 N LYS A 96 5.912 20.231 5.797 1.00 12.43 N ATOM 917 CA LYS A 96 7.066 19.761 6.572 1.00 14.33 C ATOM 918 C LYS A 96 6.732 19.439 8.023 1.00 14.39 C ATOM 919 O LYS A 96 7.253 18.467 8.577 1.00 13.47 O ATOM 920 CB LYS A 96 8.193 20.811 6.557 1.00 15.86 C ATOM 921 CG LYS A 96 8.914 20.810 5.237 1.00 16.14 C ATOM 922 CD LYS A 96 9.958 21.906 5.165 1.00 17.12 C ATOM 923 CE LYS A 96 10.679 21.784 3.842 1.00 17.10 C ATOM 924 NZ LYS A 96 11.651 22.906 3.693 1.00 17.68 N ATOM 925 HZ1 LYS A 96 11.141 23.812 3.726 1.00 0.00 H ATOM 926 HZ2 LYS A 96 12.343 22.868 4.468 1.00 0.00 H ATOM 927 HZ3 LYS A 96 12.144 22.817 2.782 1.00 0.00 H ATOM 928 H LYS A 96 5.925 21.193 5.402 1.00 0.00 H ATOM 929 N LYS A 97 5.851 20.228 8.640 1.00 15.68 N ATOM 930 CA LYS A 97 5.413 19.920 10.018 1.00 16.28 C ATOM 931 C LYS A 97 4.482 18.694 10.046 1.00 15.75 C ATOM 932 O LYS A 97 4.628 17.814 10.899 1.00 14.08 O ATOM 933 CB LYS A 97 4.652 21.066 10.662 1.00 18.49 C ATOM 934 CG LYS A 97 5.421 22.352 10.849 1.00 20.73 C ATOM 935 CD LYS A 97 4.709 23.196 11.902 1.00 23.22 C ATOM 936 CE LYS A 97 5.513 24.402 12.328 1.00 24.65 C ATOM 937 NZ LYS A 97 5.320 25.502 11.350 1.00 26.48 N ATOM 938 HZ1 LYS A 97 5.638 25.189 10.411 1.00 0.00 H ATOM 939 HZ2 LYS A 97 4.312 25.755 11.309 1.00 0.00 H ATOM 940 HZ3 LYS A 97 5.875 26.330 11.647 1.00 0.00 H ATOM 941 H LYS A 97 5.471 21.063 8.150 1.00 0.00 H ATOM 942 N ILE A 98 3.525 18.667 9.115 1.00 14.52 N ATOM 943 CA ILE A 98 2.622 17.528 8.927 1.00 13.97 C ATOM 944 C ILE A 98 3.434 16.224 8.768 1.00 14.63 C ATOM 945 O ILE A 98 3.255 15.295 9.565 1.00 18.08 O ATOM 946 CB ILE A 98 1.644 17.760 7.742 1.00 13.56 C ATOM 947 CG1 ILE A 98 0.713 18.969 8.017 1.00 13.31 C ATOM 948 CG2 ILE A 98 0.783 16.523 7.472 1.00 13.27 C ATOM 949 CD1 ILE A 98 -0.201 19.336 6.865 1.00 13.39 C ATOM 950 H ILE A 98 3.415 19.494 8.494 1.00 0.00 H ATOM 951 N VAL A 99 4.357 16.166 7.800 1.00 13.62 N ATOM 952 CA VAL A 99 5.131 14.932 7.547 1.00 13.44 C ATOM 953 C VAL A 99 6.082 14.471 8.661 1.00 14.53 C ATOM 954 O VAL A 99 6.527 13.297 8.682 1.00 14.47 O ATOM 955 CB VAL A 99 5.865 15.020 6.199 1.00 12.60 C ATOM 956 CG1 VAL A 99 7.088 15.926 6.266 1.00 12.55 C ATOM 957 CG2 VAL A 99 6.204 13.654 5.686 1.00 12.85 C ATOM 958 H VAL A 99 4.533 17.007 7.214 1.00 0.00 H ATOM 959 N SER A 100 6.384 15.383 9.569 1.00 14.84 N ATOM 960 CA SER A 100 7.197 15.119 10.731 1.00 16.09 C ATOM 961 C SER A 100 6.387 14.700 11.968 1.00 18.09 C ATOM 962 O SER A 100 6.970 14.430 13.014 1.00 17.96 O ATOM 963 CB SER A 100 8.042 16.358 11.034 1.00 15.49 C ATOM 964 OG SER A 100 8.735 16.754 9.845 1.00 14.39 O ATOM 965 HG SER A 100 8.077 16.964 9.135 1.00 0.00 H ATOM 966 H SER A 100 6.014 16.346 9.438 1.00 0.00 H ATOM 967 N ASP A 101 5.068 14.605 11.836 1.00 20.26 N ATOM 968 CA ASP A 101 4.178 14.426 12.990 1.00 22.81 C ATOM 969 C ASP A 101 4.180 12.997 13.508 1.00 23.47 C ATOM 970 O ASP A 101 3.830 12.763 14.663 1.00 25.94 O ATOM 971 CB ASP A 101 2.742 14.863 12.662 1.00 23.84 C ATOM 972 CG ASP A 101 1.941 15.234 13.902 1.00 26.44 C ATOM 973 OD1 ASP A 101 2.375 16.146 14.632 1.00 28.06 O ATOM 974 OD2 ASP A 101 0.879 14.620 14.162 1.00 27.64 O ATOM 975 H ASP A 101 4.653 14.659 10.884 1.00 0.00 H ATOM 976 N GLY A 102 4.573 12.044 12.672 1.00 22.28 N ATOM 977 CA GLY A 102 4.801 10.681 13.155 1.00 21.83 C ATOM 978 C GLY A 102 4.422 9.595 12.182 1.00 20.14 C ATOM 979 O GLY A 102 5.045 8.537 12.192 1.00 19.91 O ATOM 980 H GLY A 102 4.720 12.267 11.667 1.00 0.00 H ATOM 981 N ASN A 103 3.390 9.844 11.366 1.00 19.05 N ATOM 982 CA ASN A 103 2.902 8.866 10.398 1.00 18.03 C ATOM 983 C ASN A 103 3.313 9.180 8.988 1.00 15.75 C ATOM 984 O ASN A 103 2.766 8.621 8.032 1.00 15.28 O ATOM 985 CB ASN A 103 1.392 8.672 10.522 1.00 19.22 C ATOM 986 CG ASN A 103 1.027 8.037 11.848 1.00 21.48 C ATOM 987 OD1 ASN A 103 1.659 7.058 12.272 1.00 24.74 O ATOM 988 ND2 ASN A 103 0.065 8.613 12.539 1.00 23.53 N ATOM 989 HD22 ASN A 103 -0.439 9.433 12.145 1.00 0.00 H ATOM 990 HD21 ASN A 103 -0.190 8.248 13.479 1.00 0.00 H ATOM 991 H ASN A 103 2.918 10.769 11.424 1.00 0.00 H ATOM 992 N GLY A 104 4.288 10.068 8.848 1.00 14.24 N ATOM 993 CA GLY A 104 4.931 10.265 7.566 1.00 13.35 C ATOM 994 C GLY A 104 3.891 10.772 6.592 1.00 12.70 C ATOM 995 O GLY A 104 2.999 11.500 6.997 1.00 11.52 O ATOM 996 H GLY A 104 4.594 10.629 9.668 1.00 0.00 H ATOM 997 N MET A 105 3.991 10.355 5.329 1.00 12.22 N ATOM 998 CA MET A 105 3.069 10.852 4.285 1.00 12.34 C ATOM 999 C MET A 105 1.671 10.173 4.296 1.00 12.03 C ATOM 1000 O MET A 105 0.738 10.648 3.618 1.00 11.73 O ATOM 1001 CB MET A 105 3.706 10.734 2.884 1.00 12.06 C ATOM 1002 CG MET A 105 4.789 11.760 2.592 1.00 11.58 C ATOM 1003 SD MET A 105 5.192 11.968 0.842 1.00 11.52 S ATOM 1004 CE MET A 105 3.798 13.041 0.451 1.00 11.55 C ATOM 1005 H MET A 105 4.730 9.669 5.074 1.00 0.00 H ATOM 1006 N ASN A 106 1.510 9.132 5.124 1.00 12.50 N ATOM 1007 CA ASN A 106 0.203 8.491 5.400 1.00 12.19 C ATOM 1008 C ASN A 106 -0.849 9.482 5.922 1.00 12.55 C ATOM 1009 O ASN A 106 -2.050 9.202 5.801 1.00 11.65 O ATOM 1010 CB ASN A 106 0.308 7.312 6.391 1.00 12.94 C ATOM 1011 CG ASN A 106 1.264 6.209 5.941 1.00 12.90 C ATOM 1012 OD1 ASN A 106 2.276 5.924 6.592 1.00 15.16 O ATOM 1013 ND2 ASN A 106 0.937 5.572 4.871 1.00 13.11 N ATOM 1014 HD22 ASN A 106 0.078 5.839 4.349 1.00 0.00 H ATOM 1015 HD21 ASN A 106 1.532 4.790 4.529 1.00 0.00 H ATOM 1016 H ASN A 106 2.352 8.751 5.601 1.00 0.00 H ATOM 1017 N ALA A 107 -0.415 10.630 6.472 1.00 12.33 N ATOM 1018 CA ALA A 107 -1.323 11.760 6.833 1.00 13.01 C ATOM 1019 C ALA A 107 -2.122 12.237 5.643 1.00 13.63 C ATOM 1020 O ALA A 107 -3.267 12.733 5.788 1.00 15.13 O ATOM 1021 CB ALA A 107 -0.515 12.947 7.392 1.00 12.92 C ATOM 1022 H ALA A 107 0.603 10.736 6.655 1.00 0.00 H ATOM 1023 N TRP A 108 -1.498 12.147 4.466 1.00 13.21 N ATOM 1024 CA TRP A 108 -2.163 12.400 3.196 1.00 13.11 C ATOM 1025 C TRP A 108 -2.813 11.126 2.709 1.00 13.58 C ATOM 1026 O TRP A 108 -2.140 10.223 2.210 1.00 14.17 O ATOM 1027 CB TRP A 108 -1.172 12.888 2.146 1.00 12.75 C ATOM 1028 CG TRP A 108 -0.803 14.291 2.376 1.00 12.07 C ATOM 1029 CD1 TRP A 108 -1.554 15.383 2.076 1.00 11.99 C ATOM 1030 CD2 TRP A 108 0.361 14.765 3.032 1.00 12.12 C ATOM 1031 NE1 TRP A 108 -0.924 16.531 2.492 1.00 11.38 N ATOM 1032 CE2 TRP A 108 0.259 16.184 3.092 1.00 12.19 C ATOM 1033 CE3 TRP A 108 1.492 14.142 3.576 1.00 12.41 C ATOM 1034 CZ2 TRP A 108 1.251 16.980 3.648 1.00 12.04 C ATOM 1035 CZ3 TRP A 108 2.498 14.940 4.117 1.00 12.25 C ATOM 1036 CH2 TRP A 108 2.361 16.344 4.175 1.00 12.56 C ATOM 1037 HE1 TRP A 108 -1.284 17.499 2.372 1.00 0.00 H ATOM 1038 H TRP A 108 -0.492 11.884 4.456 1.00 0.00 H ATOM 1039 N VAL A 109 -4.118 11.020 2.882 1.00 13.66 N ATOM 1040 CA VAL A 109 -4.807 9.766 2.587 1.00 14.79 C ATOM 1041 C VAL A 109 -4.673 9.427 1.116 1.00 14.34 C ATOM 1042 O VAL A 109 -4.453 8.256 0.783 1.00 15.90 O ATOM 1043 CB VAL A 109 -6.300 9.824 2.960 1.00 16.20 C ATOM 1044 CG1 VAL A 109 -7.056 8.660 2.345 1.00 16.91 C ATOM 1045 CG2 VAL A 109 -6.469 9.791 4.479 1.00 16.48 C ATOM 1046 H VAL A 109 -4.660 11.836 3.231 1.00 0.00 H ATOM 1047 N ALA A 110 -4.787 10.427 0.247 1.00 14.32 N ATOM 1048 CA ALA A 110 -4.630 10.180 -1.202 1.00 14.80 C ATOM 1049 C ALA A 110 -3.225 9.713 -1.600 1.00 14.05 C ATOM 1050 O ALA A 110 -3.039 9.053 -2.616 1.00 15.58 O ATOM 1051 CB ALA A 110 -5.042 11.382 -2.009 1.00 14.50 C ATOM 1052 H ALA A 110 -4.988 11.389 0.589 1.00 0.00 H ATOM 1053 N TRP A 111 -2.243 10.038 -0.783 1.00 13.55 N ATOM 1054 CA TRP A 111 -0.902 9.537 -1.001 1.00 13.00 C ATOM 1055 C TRP A 111 -0.846 8.062 -0.660 1.00 13.13 C ATOM 1056 O TRP A 111 -0.274 7.271 -1.425 1.00 12.61 O ATOM 1057 CB TRP A 111 0.124 10.330 -0.192 1.00 12.25 C ATOM 1058 CG TRP A 111 1.504 9.693 -0.279 1.00 11.38 C ATOM 1059 CD1 TRP A 111 2.428 9.930 -1.230 1.00 10.91 C ATOM 1060 CD2 TRP A 111 2.066 8.709 0.602 1.00 10.98 C ATOM 1061 NE1 TRP A 111 3.538 9.172 -1.011 1.00 10.64 N ATOM 1062 CE2 TRP A 111 3.348 8.404 0.107 1.00 10.40 C ATOM 1063 CE3 TRP A 111 1.602 8.038 1.753 1.00 10.66 C ATOM 1064 CZ2 TRP A 111 4.185 7.504 0.722 1.00 10.34 C ATOM 1065 CZ3 TRP A 111 2.444 7.147 2.367 1.00 10.51 C ATOM 1066 CH2 TRP A 111 3.730 6.897 1.861 1.00 10.45 C ATOM 1067 HE1 TRP A 111 4.395 9.176 -1.600 1.00 0.00 H ATOM 1068 H TRP A 111 -2.433 10.661 0.027 1.00 0.00 H ATOM 1069 N ARG A 112 -1.432 7.694 0.482 1.00 13.32 N ATOM 1070 CA ARG A 112 -1.496 6.316 0.889 1.00 14.61 C ATOM 1071 C ARG A 112 -2.179 5.503 -0.204 1.00 12.82 C ATOM 1072 O ARG A 112 -1.622 4.524 -0.649 1.00 11.93 O ATOM 1073 CB ARG A 112 -2.199 6.096 2.253 1.00 17.00 C ATOM 1074 CG ARG A 112 -2.060 4.663 2.803 1.00 19.75 C ATOM 1075 CD ARG A 112 -2.519 4.449 4.257 1.00 22.21 C ATOM 1076 NE ARG A 112 -3.845 5.032 4.487 1.00 25.88 N ATOM 1077 CZ ARG A 112 -5.008 4.503 4.091 1.00 26.58 C ATOM 1078 NH1 ARG A 112 -5.063 3.333 3.456 1.00 28.96 N ATOM 1079 NH2 ARG A 112 -6.136 5.165 4.337 1.00 29.73 N ATOM 1080 HE ARG A 112 -3.884 5.934 5.002 1.00 0.00 H ATOM 1081 HH12 ARG A 112 -5.981 2.945 3.159 1.00 0.00 H ATOM 1082 HH11 ARG A 112 -4.188 2.808 3.257 1.00 0.00 H ATOM 1083 HH22 ARG A 112 -7.049 4.767 4.036 1.00 0.00 H ATOM 1084 HH21 ARG A 112 -6.105 6.080 4.831 1.00 0.00 H ATOM 1085 H ARG A 112 -1.853 8.423 1.093 1.00 0.00 H ATOM 1086 N ASN A 113 -3.354 5.932 -0.653 1.00 11.93 N ATOM 1087 CA ASN A 113 -4.173 5.088 -1.525 1.00 12.15 C ATOM 1088 C ASN A 113 -3.741 5.030 -2.969 1.00 11.84 C ATOM 1089 O ASN A 113 -4.055 4.068 -3.686 1.00 11.81 O ATOM 1090 CB ASN A 113 -5.630 5.545 -1.446 1.00 12.37 C ATOM 1091 CG ASN A 113 -6.236 5.262 -0.097 1.00 12.57 C ATOM 1092 OD1 ASN A 113 -5.851 4.313 0.562 1.00 12.43 O ATOM 1093 ND2 ASN A 113 -7.204 6.087 0.317 1.00 12.87 N ATOM 1094 HD22 ASN A 113 -7.499 6.885 -0.282 1.00 0.00 H ATOM 1095 HD21 ASN A 113 -7.662 5.931 1.238 1.00 0.00 H ATOM 1096 H ASN A 113 -3.695 6.876 -0.382 1.00 0.00 H ATOM 1097 N ARG A 114 -3.004 6.044 -3.401 1.00 12.44 N ATOM 1098 CA ARG A 114 -2.693 6.241 -4.817 1.00 12.54 C ATOM 1099 C ARG A 114 -1.201 6.402 -5.161 1.00 12.73 C ATOM 1100 O ARG A 114 -0.828 6.245 -6.338 1.00 12.61 O ATOM 1101 CB ARG A 114 -3.509 7.439 -5.319 1.00 12.69 C ATOM 1102 CG ARG A 114 -4.990 7.245 -5.066 1.00 12.54 C ATOM 1103 CD ARG A 114 -5.778 8.418 -5.568 1.00 12.57 C ATOM 1104 NE ARG A 114 -5.955 8.380 -7.011 1.00 12.54 N ATOM 1105 CZ ARG A 114 -6.677 9.251 -7.686 1.00 13.72 C ATOM 1106 NH1 ARG A 114 -7.272 10.252 -7.050 1.00 13.16 N ATOM 1107 NH2 ARG A 114 -6.788 9.121 -9.007 1.00 14.26 N ATOM 1108 HE ARG A 114 -5.484 7.620 -7.542 1.00 0.00 H ATOM 1109 HH12 ARG A 114 -7.842 10.940 -7.582 1.00 0.00 H ATOM 1110 HH11 ARG A 114 -7.168 10.348 -6.020 1.00 0.00 H ATOM 1111 HH22 ARG A 114 -7.355 9.802 -9.551 1.00 0.00 H ATOM 1112 HH21 ARG A 114 -6.307 8.338 -9.495 1.00 0.00 H ATOM 1113 H ARG A 114 -2.633 6.725 -2.708 1.00 0.00 H ATOM 1114 N CYS A 115 -0.344 6.696 -4.177 1.00 12.49 N ATOM 1115 CA CYS A 115 1.083 6.900 -4.428 1.00 12.28 C ATOM 1116 C CYS A 115 1.976 5.918 -3.742 1.00 12.72 C ATOM 1117 O CYS A 115 2.946 5.415 -4.337 1.00 12.79 O ATOM 1118 CB CYS A 115 1.536 8.307 -4.007 1.00 11.84 C ATOM 1119 SG CYS A 115 0.612 9.624 -4.791 1.00 11.56 S ATOM 1120 H CYS A 115 -0.703 6.782 -3.205 1.00 0.00 H ATOM 1121 N LYS A 116 1.677 5.670 -2.471 1.00 13.34 N ATOM 1122 CA LYS A 116 2.448 4.744 -1.665 1.00 13.24 C ATOM 1123 C LYS A 116 2.739 3.428 -2.399 1.00 14.09 C ATOM 1124 O LYS A 116 1.810 2.736 -2.889 1.00 14.48 O ATOM 1125 CB LYS A 116 1.735 4.534 -0.328 1.00 13.18 C ATOM 1126 CG LYS A 116 2.527 3.757 0.727 1.00 12.91 C ATOM 1127 CD LYS A 116 1.707 3.594 1.991 1.00 13.26 C ATOM 1128 CE LYS A 116 2.535 2.965 3.107 1.00 13.88 C ATOM 1129 NZ LYS A 116 1.825 2.764 4.401 1.00 14.55 N ATOM 1130 HZ1 LYS A 116 1.497 3.683 4.762 1.00 0.00 H ATOM 1131 HZ2 LYS A 116 1.008 2.137 4.253 1.00 0.00 H ATOM 1132 HZ3 LYS A 116 2.475 2.332 5.088 1.00 0.00 H ATOM 1133 H LYS A 116 0.864 6.156 -2.041 1.00 0.00 H ATOM 1134 N GLY A 117 4.031 3.089 -2.490 1.00 13.63 N ATOM 1135 CA GLY A 117 4.441 1.818 -3.068 1.00 14.76 C ATOM 1136 C GLY A 117 4.633 1.848 -4.577 1.00 15.32 C ATOM 1137 O GLY A 117 5.279 0.960 -5.119 1.00 17.44 O ATOM 1138 H GLY A 117 4.756 3.747 -2.141 1.00 0.00 H ATOM 1139 N THR A 118 4.087 2.875 -5.236 1.00 13.82 N ATOM 1140 CA THR A 118 4.088 2.998 -6.689 1.00 14.04 C ATOM 1141 C THR A 118 5.414 3.488 -7.240 1.00 14.84 C ATOM 1142 O THR A 118 6.330 3.914 -6.486 1.00 13.72 O ATOM 1143 CB THR A 118 2.929 3.923 -7.169 1.00 13.22 C ATOM 1144 OG1 THR A 118 3.217 5.318 -6.929 1.00 12.24 O ATOM 1145 CG2 THR A 118 1.636 3.532 -6.471 1.00 13.14 C ATOM 1146 HG1 THR A 118 3.349 5.464 -5.959 1.00 0.00 H ATOM 1147 H THR A 118 3.636 3.630 -4.681 1.00 0.00 H ATOM 1148 N ASP A 119 5.560 3.397 -8.564 1.00 16.05 N ATOM 1149 CA ASP A 119 6.731 3.987 -9.211 1.00 17.06 C ATOM 1150 C ASP A 119 6.609 5.525 -9.243 1.00 16.36 C ATOM 1151 O ASP A 119 6.361 6.144 -10.288 1.00 15.69 O ATOM 1152 CB ASP A 119 6.919 3.414 -10.616 1.00 18.16 C ATOM 1153 CG ASP A 119 8.185 3.914 -11.289 1.00 20.18 C ATOM 1154 OD1 ASP A 119 9.134 4.383 -10.606 1.00 21.69 O ATOM 1155 OD2 ASP A 119 8.230 3.817 -12.537 1.00 19.88 O ATOM 1156 H ASP A 119 4.842 2.907 -9.134 1.00 0.00 H ATOM 1157 N VAL A 120 6.783 6.127 -8.073 1.00 16.92 N ATOM 1158 CA VAL A 120 6.615 7.580 -7.901 1.00 16.37 C ATOM 1159 C VAL A 120 7.652 8.412 -8.691 1.00 16.24 C ATOM 1160 O VAL A 120 7.438 9.595 -8.970 1.00 16.47 O ATOM 1161 CB VAL A 120 6.609 7.981 -6.401 1.00 16.96 C ATOM 1162 CG1 VAL A 120 5.362 7.452 -5.709 1.00 15.88 C ATOM 1163 CG2 VAL A 120 7.878 7.511 -5.698 1.00 17.65 C ATOM 1164 H VAL A 120 7.048 5.552 -7.248 1.00 0.00 H ATOM 1165 N GLN A 121 8.754 7.777 -9.078 1.00 15.80 N ATOM 1166 CA GLN A 121 9.830 8.421 -9.844 1.00 17.64 C ATOM 1167 C GLN A 121 9.356 8.882 -11.238 1.00 15.87 C ATOM 1168 O GLN A 121 9.851 9.889 -11.765 1.00 15.04 O ATOM 1169 CB GLN A 121 11.051 7.465 -9.912 1.00 19.84 C ATOM 1170 CG GLN A 121 11.771 7.360 -11.250 1.00 23.88 C ATOM 1171 CD GLN A 121 12.598 8.593 -11.547 1.00 26.70 C ATOM 1172 OE1 GLN A 121 13.314 9.082 -10.671 1.00 29.66 O ATOM 1173 NE2 GLN A 121 12.491 9.119 -12.770 1.00 27.69 N ATOM 1174 HE22 GLN A 121 11.874 8.671 -13.477 1.00 0.00 H ATOM 1175 HE21 GLN A 121 13.025 9.977 -13.016 1.00 0.00 H ATOM 1176 H GLN A 121 8.860 6.774 -8.826 1.00 0.00 H ATOM 1177 N ALA A 122 8.386 8.165 -11.800 1.00 14.26 N ATOM 1178 CA ALA A 122 7.651 8.601 -12.996 1.00 14.34 C ATOM 1179 C ALA A 122 7.214 10.039 -12.895 1.00 14.24 C ATOM 1180 O ALA A 122 7.212 10.750 -13.883 1.00 12.10 O ATOM 1181 CB ALA A 122 6.413 7.743 -13.221 1.00 14.73 C ATOM 1182 H ALA A 122 8.136 7.251 -11.372 1.00 0.00 H ATOM 1183 N TRP A 123 6.828 10.472 -11.697 1.00 14.52 N ATOM 1184 CA TRP A 123 6.324 11.846 -11.531 1.00 15.26 C ATOM 1185 C TRP A 123 7.383 12.910 -11.832 1.00 16.05 C ATOM 1186 O TRP A 123 7.040 14.041 -12.200 1.00 14.89 O ATOM 1187 CB TRP A 123 5.656 12.046 -10.156 1.00 14.84 C ATOM 1188 CG TRP A 123 4.399 11.273 -10.083 1.00 14.44 C ATOM 1189 CD1 TRP A 123 4.220 10.085 -9.488 1.00 14.38 C ATOM 1190 CD2 TRP A 123 3.142 11.614 -10.694 1.00 14.83 C ATOM 1191 NE1 TRP A 123 2.938 9.660 -9.662 1.00 14.36 N ATOM 1192 CE2 TRP A 123 2.257 10.572 -10.416 1.00 14.36 C ATOM 1193 CE3 TRP A 123 2.695 12.696 -11.465 1.00 14.82 C ATOM 1194 CZ2 TRP A 123 0.920 10.582 -10.857 1.00 15.22 C ATOM 1195 CZ3 TRP A 123 1.398 12.714 -11.898 1.00 15.30 C ATOM 1196 CH2 TRP A 123 0.514 11.649 -11.599 1.00 14.83 C ATOM 1197 HE1 TRP A 123 2.540 8.778 -9.280 1.00 0.00 H ATOM 1198 H TRP A 123 6.882 9.838 -10.875 1.00 0.00 H ATOM 1199 N ILE A 124 8.659 12.554 -11.724 1.00 17.57 N ATOM 1200 CA ILE A 124 9.713 13.499 -12.056 1.00 19.14 C ATOM 1201 C ILE A 124 10.524 13.077 -13.297 1.00 20.21 C ATOM 1202 O ILE A 124 11.554 13.670 -13.588 1.00 20.37 O ATOM 1203 CB ILE A 124 10.615 13.817 -10.840 1.00 20.81 C ATOM 1204 CG1 ILE A 124 11.318 12.564 -10.322 1.00 22.15 C ATOM 1205 CG2 ILE A 124 9.802 14.513 -9.758 1.00 21.02 C ATOM 1206 CD1 ILE A 124 12.581 12.865 -9.525 1.00 23.19 C ATOM 1207 H ILE A 124 8.904 11.596 -11.401 1.00 0.00 H ATOM 1208 N ARG A 125 10.013 12.107 -14.057 1.00 21.62 N ATOM 1209 CA ARG A 125 10.658 11.641 -15.305 1.00 22.59 C ATOM 1210 C ARG A 125 10.766 12.771 -16.343 1.00 21.26 C ATOM 1211 O ARG A 125 9.796 13.512 -16.616 1.00 18.70 O ATOM 1212 CB ARG A 125 9.891 10.439 -15.879 1.00 24.81 C ATOM 1213 CG ARG A 125 10.728 9.403 -16.630 1.00 27.50 C ATOM 1214 CD ARG A 125 10.078 8.009 -16.550 1.00 30.39 C ATOM 1215 NE ARG A 125 10.354 7.339 -15.260 1.00 31.03 N ATOM 1216 CZ ARG A 125 9.649 6.325 -14.731 1.00 32.49 C ATOM 1217 NH1 ARG A 125 8.583 5.809 -15.345 1.00 33.36 N ATOM 1218 NH2 ARG A 125 10.008 5.818 -13.557 1.00 31.27 N ATOM 1219 HE ARG A 125 11.168 7.685 -14.713 1.00 0.00 H ATOM 1220 HH12 ARG A 125 8.060 5.024 -14.907 1.00 0.00 H ATOM 1221 HH11 ARG A 125 8.275 6.192 -16.262 1.00 0.00 H ATOM 1222 HH22 ARG A 125 9.466 5.033 -13.142 1.00 0.00 H ATOM 1223 HH21 ARG A 125 10.831 6.206 -13.053 1.00 0.00 H ATOM 1224 H ARG A 125 9.123 11.659 -13.760 1.00 0.00 H ATOM 1225 N GLY A 126 11.956 12.947 -16.898 1.00 20.44 N ATOM 1226 CA GLY A 126 12.172 14.017 -17.884 1.00 20.83 C ATOM 1227 C GLY A 126 12.360 15.437 -17.351 1.00 20.51 C ATOM 1228 O GLY A 126 12.815 16.317 -18.077 1.00 19.09 O ATOM 1229 H GLY A 126 12.745 12.323 -16.634 1.00 0.00 H ATOM 1230 N CYS A 127 12.023 15.679 -16.090 1.00 19.44 N ATOM 1231 CA CYS A 127 12.254 16.975 -15.475 1.00 19.38 C ATOM 1232 C CYS A 127 13.746 17.307 -15.254 1.00 20.22 C ATOM 1233 O CYS A 127 14.555 16.477 -14.813 1.00 18.96 O ATOM 1234 CB CYS A 127 11.512 17.070 -14.126 1.00 20.63 C ATOM 1235 SG CYS A 127 9.751 16.643 -14.177 1.00 19.13 S ATOM 1236 H CYS A 127 11.583 14.922 -15.528 1.00 0.00 H ATOM 1237 N ARG A 128 14.082 18.542 -15.560 1.00 21.54 N ATOM 1238 CA ARG A 128 15.408 19.070 -15.345 1.00 23.89 C ATOM 1239 C ARG A 128 15.349 19.683 -13.975 1.00 26.91 C ATOM 1240 O ARG A 128 14.626 20.674 -13.771 1.00 26.58 O ATOM 1241 CB ARG A 128 15.696 20.162 -16.371 1.00 24.01 C ATOM 1242 CG ARG A 128 17.027 20.851 -16.174 1.00 24.24 C ATOM 1243 CD ARG A 128 16.971 22.242 -16.761 1.00 25.23 C ATOM 1244 NE ARG A 128 17.073 22.172 -18.202 1.00 26.77 N ATOM 1245 CZ ARG A 128 18.223 22.155 -18.884 1.00 29.21 C ATOM 1246 NH1 ARG A 128 19.400 22.252 -18.275 1.00 28.83 N ATOM 1247 NH2 ARG A 128 18.187 22.052 -20.212 1.00 31.74 N ATOM 1248 HE ARG A 128 16.188 22.132 -18.747 1.00 0.00 H ATOM 1249 HH12 ARG A 128 20.277 22.236 -18.833 1.00 0.00 H ATOM 1250 HH11 ARG A 128 19.444 22.344 -17.240 1.00 0.00 H ATOM 1251 HH22 ARG A 128 19.073 22.037 -20.757 1.00 0.00 H ATOM 1252 HH21 ARG A 128 17.273 21.986 -20.704 1.00 0.00 H ATOM 1253 H ARG A 128 13.360 19.165 -15.975 1.00 0.00 H ATOM 1254 N LEU A 129 16.087 19.093 -13.040 1.00 27.77 N ATOM 1255 CA LEU A 129 16.005 19.473 -11.633 1.00 31.34 C ATOM 1256 C LEU A 129 17.387 19.555 -11.021 1.00 34.10 C ATOM 1257 O LEU A 129 18.306 18.777 -11.348 1.00 40.22 O ATOM 1258 CB LEU A 129 15.189 18.438 -10.846 1.00 29.89 C ATOM 1259 CG LEU A 129 13.687 18.320 -11.149 1.00 30.62 C ATOM 1260 CD1 LEU A 129 13.155 16.943 -10.764 1.00 31.92 C ATOM 1261 CD2 LEU A 129 12.898 19.418 -10.463 1.00 28.70 C ATOM 1262 OXT LEU A 129 17.585 20.393 -10.155 1.00 36.00 O ATOM 1263 H LEU A 129 16.744 18.337 -13.320 1.00 0.00 H TER 1264 LEU A 129 HETATM 1265 O HOH 1 15.007 22.786 -12.958 1.00 14.67 O HETATM 1266 O HOH 2 16.284 29.533 -3.788 1.00 28.88 O HETATM 1267 O HOH 3 16.973 16.901 -8.101 1.00 18.55 O HETATM 1268 O HOH 4 14.096 7.781 1.699 1.00 13.99 O HETATM 1269 O HOH 5 14.648 32.198 -1.674 1.00 27.00 O HETATM 1270 O HOH 6 8.968 25.842 -10.716 1.00 9.78 O HETATM 1271 O HOH 7 11.035 17.763 -19.231 1.00 29.66 O HETATM 1272 O HOH 8 1.051 0.363 -3.542 1.00 19.29 O HETATM 1273 O HOH 9 -0.942 20.714 -14.519 1.00 19.65 O HETATM 1274 O HOH 10 -4.168 7.722 5.474 1.00 22.76 O HETATM 1275 O HOH 11 -15.215 32.184 13.915 1.00 10.14 O HETATM 1276 O HOH 12 10.595 8.391 5.109 1.00 6.98 O HETATM 1277 O HOH 13 -7.766 13.316 -3.223 1.00 12.34 O HETATM 1278 O HOH 14 6.193 5.834 -2.045 1.00 18.25 O HETATM 1279 O HOH 15 6.546 11.292 10.436 1.00 15.03 O HETATM 1280 O HOH 16 9.089 31.289 -2.659 1.00 34.10 O HETATM 1281 O HOH 17 -3.249 19.663 -13.561 1.00 16.46 O HETATM 1282 O HOH 18 -1.690 5.874 -8.858 1.00 14.73 O HETATM 1283 O HOH 19 -15.002 14.593 7.757 1.00 31.43 O HETATM 1284 O HOH 20 -12.800 26.290 18.097 1.00 18.56 O HETATM 1285 O HOH 21 -1.791 1.862 -0.026 1.00 34.68 O HETATM 1286 O HOH 22 7.047 3.898 -3.829 1.00 15.74 O HETATM 1287 O HOH 23 -0.865 3.268 -3.291 1.00 11.18 O HETATM 1288 O HOH 24 -1.263 7.285 14.581 1.00 23.85 O HETATM 1289 O HOH 25 14.434 14.136 -13.325 1.00 33.65 O HETATM 1290 O HOH 26 -0.059 0.912 3.415 1.00 21.62 O HETATM 1291 O HOH 27 14.490 15.687 6.428 1.00 16.55 O HETATM 1292 O HOH 28 -18.662 29.468 5.542 1.00 14.61 O HETATM 1293 O HOH 29 -5.121 1.562 0.781 1.00 38.27 O HETATM 1294 O HOH 30 3.681 6.212 -11.313 1.00 13.76 O HETATM 1295 O HOH 31 14.998 18.172 2.165 1.00 39.60 O HETATM 1296 O HOH 32 9.021 6.067 -2.773 1.00 22.55 O HETATM 1297 O HOH 33 -2.930 1.497 2.741 1.00 39.90 O HETATM 1298 O HOH 34 -4.571 6.403 -8.629 1.00 5.21 O HETATM 1299 O HOH 35 -14.998 14.147 4.235 1.00 30.55 O HETATM 1300 O HOH 36 6.062 21.748 -16.114 1.00 14.27 O HETATM 1301 O HOH 37 11.542 8.132 -1.099 1.00 11.55 O HETATM 1302 O HOH 38 7.481 28.277 -11.614 1.00 31.62 O HETATM 1303 O HOH 39 0.197 2.672 6.967 1.00 30.51 O HETATM 1304 O HOH 40 14.854 23.181 -8.280 1.00 38.18 O HETATM 1305 O HOH 41 -7.860 8.412 -1.809 1.00 2.00 O HETATM 1306 O HOH 42 7.567 33.713 -0.805 1.00 21.97 O HETATM 1307 O HOH 43 11.788 20.239 -17.502 1.00 19.36 O HETATM 1308 O HOH 44 16.489 8.667 1.872 1.00 32.44 O HETATM 1309 O HOH 45 -14.964 27.950 15.173 1.00 13.39 O HETATM 1310 O HOH 46 8.602 1.596 -3.669 1.00 29.49 O HETATM 1311 O HOH 47 3.208 0.290 -0.201 1.00 15.29 O HETATM 1312 O HOH 48 2.477 3.505 -10.936 1.00 16.74 O HETATM 1313 O HOH 49 -0.229 7.340 -10.193 1.00 10.30 O HETATM 1314 O HOH 50 -11.598 33.092 14.369 1.00 20.44 O HETATM 1315 O HOH 51 -2.558 10.737 -13.518 1.00 20.37 O HETATM 1316 O HOH 52 8.499 18.687 -18.562 1.00 33.13 O HETATM 1317 O HOH 53 -10.581 33.671 11.649 1.00 20.21 O HETATM 1318 O HOH 54 1.253 28.187 -0.037 1.00 11.28 O HETATM 1319 O HOH 55 11.185 10.112 -6.937 1.00 3.50 O HETATM 1320 O HOH 56 3.445 31.012 0.369 1.00 14.11 O HETATM 1321 O HOH 57 5.126 17.617 13.356 1.00 13.28 O HETATM 1322 O HOH 58 -12.028 27.877 13.311 1.00 2.15 O HETATM 1323 O HOH 59 2.769 27.483 6.700 1.00 12.85 O HETATM 1324 O HOH 60 3.709 2.061 -10.360 1.00 9.48 O HETATM 1325 O HOH 61 3.888 30.365 11.117 1.00 23.71 O HETATM 1326 O HOH 62 -1.772 23.038 0.495 1.00 12.26 O HETATM 1327 O HOH 63 8.872 0.945 -7.569 1.00 32.23 O HETATM 1328 O HOH 64 -13.959 24.671 7.328 1.00 7.28 O HETATM 1329 O HOH 65 -9.697 26.605 11.391 1.00 15.04 O HETATM 1330 O HOH 66 0.576 27.137 -2.670 1.00 7.30 O HETATM 1331 O HOH 67 14.252 13.601 -4.194 1.00 19.85 O HETATM 1332 O HOH 68 -1.059 25.554 -2.377 1.00 14.76 O HETATM 1333 O HOH 69 10.113 31.492 -0.172 1.00 38.24 O HETATM 1334 O HOH 70 -8.102 26.898 13.878 1.00 12.25 O HETATM 1335 O HOH 71 -11.326 25.878 -4.362 1.00 12.95 O HETATM 1336 O HOH 72 3.592 27.016 8.852 1.00 11.52 O HETATM 1337 O HOH 73 -7.930 20.970 -8.188 1.00 15.41 O HETATM 1338 O HOH 74 2.575 -1.806 -4.372 1.00 38.17 O HETATM 1339 O HOH 75 9.947 4.959 -7.553 1.00 20.46 O HETATM 1340 O HOH 76 10.803 25.318 5.898 1.00 32.52 O HETATM 1341 O HOH 77 -7.311 35.456 5.030 1.00 18.81 O HETATM 1342 O HOH 78 7.805 23.912 8.863 1.00 18.34 O HETATM 1343 O HOH 79 2.491 7.149 -9.152 1.00 17.13 O HETATM 1344 O HOH 80 0.391 33.583 11.253 1.00 34.51 O HETATM 1345 O HOH 81 5.918 19.436 -16.939 1.00 23.76 O HETATM 1346 O HOH 82 1.252 27.783 -13.819 1.00 37.76 O HETATM 1347 O HOH 83 -4.163 33.262 -0.797 1.00 25.39 O HETATM 1348 O HOH 84 2.814 18.841 -16.759 1.00 27.43 O HETATM 1349 O HOH 85 11.264 7.519 -6.216 1.00 25.96 O HETATM 1350 O HOH 86 6.057 34.785 -4.467 1.00 21.75 O HETATM 1351 O HOH 87 3.166 9.859 -14.085 1.00 21.59 O HETATM 1352 O HOH 88 -1.606 16.380 14.629 1.00 26.57 O HETATM 1353 O HOH 89 12.271 21.665 8.774 1.00 24.89 O HETATM 1354 O HOH 90 2.593 12.715 9.519 1.00 17.56 O HETATM 1355 O HOH 91 8.980 20.087 10.895 1.00 30.81 O HETATM 1356 O HOH 92 1.186 32.287 1.400 1.00 22.03 O HETATM 1357 O HOH 93 -17.318 23.786 10.656 1.00 28.91 O HETATM 1358 O HOH 94 -3.355 32.549 11.533 1.00 26.59 O HETATM 1359 O HOH 95 -3.524 34.634 2.921 1.00 18.76 O HETATM 1360 O HOH 96 -3.332 25.751 17.057 1.00 22.17 O HETATM 1361 O HOH 97 -8.764 18.372 -4.815 1.00 24.67 O HETATM 1362 O HOH 98 -2.795 15.694 9.405 1.00 21.54 O HETATM 1363 O HOH 99 -2.707 31.757 -8.346 1.00 24.26 O HETATM 1364 O HOH 100 9.787 30.029 4.613 1.00 29.51 O HETATM 1365 O HOH 101 9.436 26.440 1.880 1.00 23.45 O HETATM 1366 O HOH 102 -8.491 15.809 5.519 1.00 31.02 O HETATM 1367 O HOH 103 -16.265 20.786 -1.097 1.00 17.34 O HETATM 1368 O HOH 104 -10.232 30.873 14.956 1.00 20.24 O HETATM 1369 O HOH 105 6.638 9.799 -16.697 1.00 26.92 O HETATM 1370 O HOH 106 -5.191 30.506 15.373 1.00 13.49 O HETATM 1371 O HOH 107 0.087 12.600 10.846 1.00 26.52 O HETATM 1372 O HOH 108 0.892 34.569 0.168 1.00 26.60 O HETATM 1373 O HOH 109 13.856 22.552 5.352 1.00 25.85 O HETATM 1374 O HOH 110 -5.779 33.514 10.574 1.00 7.56 O HETATM 1375 O HOH 111 -0.924 34.517 -5.050 1.00 22.97 O HETATM 1376 O HOH 112 0.640 0.338 0.737 1.00 20.39 O HETATM 1377 O HOH 113 -1.490 35.721 4.632 1.00 30.46 O HETATM 1378 O HOH 114 -2.398 34.506 -2.436 1.00 47.90 O HETATM 1379 O HOH 115 1.570 38.961 8.913 1.00 29.73 O HETATM 1380 O HOH 116 -2.404 28.763 -13.918 1.00 20.29 O HETATM 1381 O HOH 117 -5.697 28.344 -10.033 1.00 9.44 O HETATM 1382 O HOH 118 9.706 28.212 -6.501 1.00 26.78 O HETATM 1383 O HOH 119 6.426 28.732 -5.614 1.00 14.22 O HETATM 1384 O HOH 120 0.538 15.521 -14.746 1.00 13.98 O HETATM 1385 O HOH 121 -3.771 31.785 -5.696 1.00 25.38 O HETATM 1386 OAI MVH A 122 -4.305 14.532 4.626 1.00 -0.62 O HETATM 1387 PAN MVH A 122 -3.950 16.045 4.251 1.00 0.26 P HETATM 1388 OAJ MVH A 122 -4.497 17.165 5.378 1.00 -0.26 O HETATM 1389 CAC MVH A 122 -3.614 17.626 6.384 1.00 0.07 C HETATM 1390 H MVH A 122 -4.137 18.349 7.028 1.00 0.06 H HETATM 1391 H MVH A 122 -2.747 18.113 5.915 1.00 0.06 H HETATM 1392 H MVH A 122 -3.273 16.774 6.991 1.00 0.06 H HETATM 1393 OAF MVH A 122 -3.968 16.493 2.817 1.00 -0.62 O HETATM 1394 OAK MVH A 122 -5.501 15.942 4.022 1.00 -0.25 O HETATM 1395 CAM MVH A 122 -6.062 15.289 2.899 1.00 0.11 C HETATM 1396 CAD MVH A 122 -6.513 13.894 3.375 1.00 -0.03 C HETATM 1397 H MVH A 122 -6.958 13.345 2.532 1.00 0.03 H HETATM 1398 H MVH A 122 -7.259 14.003 4.176 1.00 0.03 H HETATM 1399 H MVH A 122 -5.644 13.338 3.756 1.00 0.03 H HETATM 1400 CAG MVH A 122 -7.260 16.159 2.470 1.00 0.07 C HETATM 1401 CAL MVH A 122 -7.828 15.893 1.065 1.00 0.18 C HETATM 1402 OAE MVH A 122 -7.564 14.848 0.509 1.00 -0.40 O HETATM 1403 NAH MVH A 122 -8.628 16.876 0.555 1.00 -0.29 N HETATM 1404 CAA MVH A 122 -9.256 16.768 -0.759 1.00 0.02 C HETATM 1405 H MVH A 122 -9.850 17.672 -0.957 1.00 0.05 H HETATM 1406 H MVH A 122 -9.913 15.886 -0.780 1.00 0.05 H HETATM 1407 H MVH A 122 -8.478 16.665 -1.530 1.00 0.05 H HETATM 1408 H MVH A 122 -8.789 17.698 1.101 1.00 0.18 H HETATM 1409 H MVH A 122 -6.941 17.211 2.509 1.00 0.05 H HETATM 1410 H MVH A 122 -8.070 15.995 3.196 1.00 0.05 H HETATM 1411 H MVH A 122 -5.336 15.198 2.078 1.00 0.07 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 63 62 1235 CONECT 298 297 1119 CONECT 644 643 793 CONECT 759 758 908 CONECT 793 644 792 CONECT 908 759 907 CONECT 1119 298 1118 CONECT 1235 63 1234 CONECT 1386 1387 CONECT 1387 1386 1388 1393 1394 CONECT 1388 1387 1389 CONECT 1389 1388 1390 1391 1392 CONECT 1390 1389 CONECT 1391 1389 CONECT 1392 1389 CONECT 1393 1387 CONECT 1394 1387 1395 CONECT 1395 1394 1396 1400 1411 CONECT 1396 1395 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1395 1401 1409 1410 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 1404 1408 CONECT 1404 1403 1405 1406 1407 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1404 CONECT 1408 1403 CONECT 1409 1400 CONECT 1410 1400 CONECT 1411 1395 MASTER 0 0 0 0 0 0 0 0 1410 1 38 10 END
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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
4tun
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Lysozyme C
Ligand Name
MVH
EC.Number
E.C.3.2.1.17
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=3.87uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Anal Bioanal Chem Vol. 406: pp. 5477-5485
Ligand Properties
Formula
C
6
H
1
5
NO
5
P
Molecular Weight
212.161
Exact Mass
212.069
No. of atoms
28
No. of bonds
27
Polar Surface Area
101.61
LOGP Value
-1.42 (
Computed with XLOGP3
)
0.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
Canonical SMILES
CNC(=O)C[C@@H](OP(OC)(O)O)C
InChI String
InChI=1S/C6H16NO5P/c1-5(4-6(8)7-2)12-13(9,10)11-3/h5,9-10,13H,4H2,1-3H3,(H,7,8)/t5-/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):
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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