Browse entries in the PDBbind-CN Database
HEADER 1ILQ_COMPLEX COMPND 1ILQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 71 ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SER SEQRES 2 A 71 LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG VAL SEQRES 3 A 71 ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE ILE SEQRES 4 A 71 VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP PRO SEQRES 5 A 71 LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE LEU SEQRES 6 A 71 LYS ARG ALA GLU ASN SER SEQRES 1 B 71 ALA LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SER SEQRES 2 B 71 LYS PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG VAL SEQRES 3 B 71 ILE GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE ILE SEQRES 4 B 71 VAL LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP PRO SEQRES 5 B 71 LYS GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE LEU SEQRES 6 B 71 LYS ARG ALA GLU ASN SER HET ACE A 143 265 SSBOND 1 CYS A 7 CYS A 34 SSBOND 2 CYS A 9 CYS A 50 SSBOND 3 CYS B 7 CYS B 34 SSBOND 4 CYS B 9 CYS B 50 ATOM 1 N ALA A 2 -25.003 5.035 -13.225 1.00 5.91 N ATOM 2 CA ALA A 2 -24.545 4.671 -14.598 1.00 5.70 C ATOM 3 C ALA A 2 -24.871 5.812 -15.566 1.00 5.15 C ATOM 4 O ALA A 2 -25.774 5.705 -16.371 1.00 5.42 O ATOM 5 CB ALA A 2 -25.237 3.395 -15.075 1.00 6.12 C ATOM 6 HA ALA A 2 -23.469 4.501 -14.571 1.00 0.00 H ATOM 7 HB1 ALA A 2 -24.999 2.578 -14.394 1.00 0.00 H ATOM 8 HB2 ALA A 2 -26.315 3.553 -15.092 1.00 0.00 H ATOM 9 HB3 ALA A 2 -24.889 3.148 -16.078 1.00 0.00 H ATOM 10 HN3 ALA A 2 -26.030 5.198 -13.235 1.00 0.00 H ATOM 11 HN2 ALA A 2 -24.516 5.901 -12.917 1.00 0.00 H ATOM 12 HN1 ALA A 2 -24.781 4.259 -12.570 1.00 0.00 H ATOM 13 N LYS A 3 -24.123 6.884 -15.460 1.00 4.74 N ATOM 14 CA LYS A 3 -24.364 8.053 -16.363 1.00 4.44 C ATOM 15 C LYS A 3 -23.044 8.513 -16.992 1.00 3.72 C ATOM 16 O LYS A 3 -22.852 8.403 -18.187 1.00 3.93 O ATOM 17 CB LYS A 3 -24.975 9.208 -15.555 1.00 5.01 C ATOM 18 CG LYS A 3 -25.476 8.685 -14.196 1.00 5.72 C ATOM 19 CD LYS A 3 -24.283 8.378 -13.275 1.00 6.38 C ATOM 20 CE LYS A 3 -24.395 9.230 -12.008 1.00 7.00 C ATOM 21 NZ LYS A 3 -24.457 10.678 -12.356 1.00 7.41 N ATOM 22 HA LYS A 3 -25.052 7.755 -17.155 1.00 0.00 H ATOM 23 HB2 LYS A 3 -24.219 9.976 -15.391 1.00 0.00 H ATOM 24 HB3 LYS A 3 -25.811 9.636 -16.109 1.00 0.00 H ATOM 25 HG2 LYS A 3 -26.107 9.441 -13.729 1.00 0.00 H ATOM 26 HG3 LYS A 3 -26.056 7.775 -14.351 1.00 0.00 H ATOM 27 HD2 LYS A 3 -24.291 7.322 -13.007 1.00 0.00 H ATOM 28 HD3 LYS A 3 -23.353 8.613 -13.792 1.00 0.00 H ATOM 29 HE2 LYS A 3 -23.525 9.050 -11.376 1.00 0.00 H ATOM 30 HE3 LYS A 3 -25.300 8.952 -11.467 1.00 0.00 H ATOM 31 HZ1 LYS A 3 -23.594 10.947 -12.869 1.00 0.00 H ATOM 32 HZ2 LYS A 3 -25.288 10.854 -12.956 1.00 0.00 H ATOM 33 HZ3 LYS A 3 -24.533 11.240 -11.484 1.00 0.00 H ATOM 34 H LYS A 3 -23.364 6.922 -14.750 1.00 0.00 H ATOM 35 N GLU A 4 -22.162 9.019 -16.174 1.00 3.22 N ATOM 36 CA GLU A 4 -20.848 9.490 -16.707 1.00 2.71 C ATOM 37 C GLU A 4 -19.730 9.193 -15.701 1.00 2.35 C ATOM 38 O GLU A 4 -19.807 9.588 -14.555 1.00 2.67 O ATOM 39 CB GLU A 4 -20.921 10.995 -16.957 1.00 3.04 C ATOM 40 CG GLU A 4 -22.168 11.304 -17.788 1.00 3.68 C ATOM 41 CD GLU A 4 -22.093 12.745 -18.300 1.00 4.07 C ATOM 42 OE1 GLU A 4 -21.085 13.369 -18.009 1.00 4.41 O ATOM 43 OE2 GLU A 4 -23.047 13.138 -18.950 1.00 4.37 O ATOM 44 HA GLU A 4 -20.631 8.967 -17.639 1.00 0.00 H ATOM 45 HB2 GLU A 4 -20.977 11.521 -16.004 1.00 0.00 H ATOM 46 HB3 GLU A 4 -20.032 11.319 -17.498 1.00 0.00 H ATOM 47 HG2 GLU A 4 -22.220 10.619 -18.634 1.00 0.00 H ATOM 48 HG3 GLU A 4 -23.057 11.183 -17.169 1.00 0.00 H ATOM 49 H GLU A 4 -22.372 9.094 -15.158 1.00 0.00 H ATOM 50 N LEU A 5 -18.717 8.503 -16.159 1.00 2.29 N ATOM 51 CA LEU A 5 -17.575 8.165 -15.253 1.00 2.33 C ATOM 52 C LEU A 5 -16.249 8.490 -15.946 1.00 1.53 C ATOM 53 O LEU A 5 -16.030 8.113 -17.080 1.00 1.70 O ATOM 54 CB LEU A 5 -17.624 6.673 -14.924 1.00 3.39 C ATOM 55 CG LEU A 5 -18.838 6.391 -14.037 1.00 4.32 C ATOM 56 CD1 LEU A 5 -19.668 5.270 -14.664 1.00 5.10 C ATOM 57 CD2 LEU A 5 -18.358 5.949 -12.653 1.00 5.08 C ATOM 58 HA LEU A 5 -17.652 8.750 -14.336 1.00 0.00 H ATOM 59 HB2 LEU A 5 -17.706 6.099 -15.847 1.00 0.00 H ATOM 60 HB3 LEU A 5 -16.714 6.386 -14.398 1.00 0.00 H ATOM 61 HG LEU A 5 -19.445 7.292 -13.945 1.00 0.00 H ATOM 62 HD21 LEU A 5 -17.757 5.045 -12.750 1.00 0.00 H ATOM 63 HD22 LEU A 5 -17.756 6.741 -12.209 1.00 0.00 H ATOM 64 HD23 LEU A 5 -19.221 5.747 -12.018 1.00 0.00 H ATOM 65 HD11 LEU A 5 -20.001 5.577 -15.655 1.00 0.00 H ATOM 66 HD12 LEU A 5 -19.058 4.371 -14.747 1.00 0.00 H ATOM 67 HD13 LEU A 5 -20.534 5.066 -14.035 1.00 0.00 H ATOM 68 H LEU A 5 -18.706 8.190 -17.151 1.00 0.00 H ATOM 69 N ARG A 6 -15.386 9.183 -15.248 1.00 1.26 N ATOM 70 CA ARG A 6 -14.075 9.547 -15.859 1.00 0.81 C ATOM 71 C ARG A 6 -12.987 8.559 -15.428 1.00 0.64 C ATOM 72 O ARG A 6 -13.079 7.946 -14.384 1.00 0.62 O ATOM 73 CB ARG A 6 -13.670 10.959 -15.411 1.00 1.42 C ATOM 74 CG ARG A 6 -14.918 11.824 -15.184 1.00 1.65 C ATOM 75 CD ARG A 6 -15.721 11.906 -16.481 1.00 2.03 C ATOM 76 NE ARG A 6 -16.631 13.084 -16.409 1.00 2.55 N ATOM 77 CZ ARG A 6 -16.387 14.128 -17.151 1.00 3.09 C ATOM 78 NH1 ARG A 6 -16.890 14.176 -18.354 1.00 3.67 N ATOM 79 NH2 ARG A 6 -15.649 15.089 -16.667 1.00 3.44 N ATOM 80 HA ARG A 6 -14.180 9.514 -16.943 1.00 0.00 H ATOM 81 HB2 ARG A 6 -13.104 10.893 -14.482 1.00 0.00 H ATOM 82 HB3 ARG A 6 -13.050 11.417 -16.181 1.00 0.00 H ATOM 83 HG2 ARG A 6 -15.533 11.378 -14.403 1.00 0.00 H ATOM 84 HG3 ARG A 6 -14.616 12.826 -14.879 1.00 0.00 H ATOM 85 HD2 ARG A 6 -16.308 10.996 -16.607 1.00 0.00 H ATOM 86 HD3 ARG A 6 -15.042 12.018 -17.326 1.00 0.00 H ATOM 87 HE ARG A 6 -17.453 13.073 -15.773 1.00 0.00 H ATOM 88 HH12 ARG A 6 -16.707 15.000 -18.962 1.00 0.00 H ATOM 89 HH11 ARG A 6 -17.474 13.390 -18.705 1.00 0.00 H ATOM 90 HH22 ARG A 6 -15.444 15.929 -17.245 1.00 0.00 H ATOM 91 HH21 ARG A 6 -15.265 15.015 -15.703 1.00 0.00 H ATOM 92 H ARG A 6 -15.612 9.477 -14.276 1.00 0.00 H ATOM 93 N CYS A 7 -11.976 8.432 -16.247 1.00 0.57 N ATOM 94 CA CYS A 7 -10.864 7.498 -15.903 1.00 0.44 C ATOM 95 C CYS A 7 -10.184 7.955 -14.608 1.00 0.41 C ATOM 96 O CYS A 7 -10.255 9.112 -14.248 1.00 0.48 O ATOM 97 CB CYS A 7 -9.840 7.507 -17.037 1.00 0.46 C ATOM 98 SG CYS A 7 -10.207 6.514 -18.502 1.00 0.50 S ATOM 99 HA CYS A 7 -11.263 6.493 -15.765 1.00 0.00 H ATOM 100 HB2 CYS A 7 -8.896 7.148 -16.627 1.00 0.00 H ATOM 101 HB3 CYS A 7 -9.723 8.540 -17.364 1.00 0.00 H ATOM 102 H CYS A 7 -11.947 8.978 -17.132 1.00 0.00 H ATOM 103 N GLN A 8 -9.484 7.064 -13.896 1.00 0.35 N ATOM 104 CA GLN A 8 -8.831 7.423 -12.640 1.00 0.38 C ATOM 105 C GLN A 8 -7.802 8.529 -12.872 1.00 0.38 C ATOM 106 O GLN A 8 -7.807 9.535 -12.165 1.00 0.45 O ATOM 107 CB GLN A 8 -8.221 6.178 -11.983 1.00 0.38 C ATOM 108 CG GLN A 8 -9.244 5.525 -11.045 1.00 0.45 C ATOM 109 CD GLN A 8 -9.241 6.182 -9.668 1.00 0.77 C ATOM 110 OE1 GLN A 8 -10.002 7.113 -9.417 1.00 1.49 O ATOM 111 NE2 GLN A 8 -8.381 5.700 -8.768 1.00 1.36 N ATOM 112 HA GLN A 8 -9.572 7.820 -11.946 1.00 0.00 H ATOM 113 HB2 GLN A 8 -7.934 5.466 -12.756 1.00 0.00 H ATOM 114 HB3 GLN A 8 -7.339 6.467 -11.411 1.00 0.00 H ATOM 115 HG2 GLN A 8 -10.238 5.622 -11.482 1.00 0.00 H ATOM 116 HG3 GLN A 8 -8.999 4.469 -10.934 1.00 0.00 H ATOM 117 HE22 GLN A 8 -7.753 4.910 -9.020 1.00 0.00 H ATOM 118 HE21 GLN A 8 -8.339 6.114 -7.815 1.00 0.00 H ATOM 119 H GLN A 8 -9.403 6.088 -14.247 1.00 0.00 H ATOM 120 N CYS A 9 -6.934 8.348 -13.870 1.00 0.34 N ATOM 121 CA CYS A 9 -6.000 9.377 -14.290 1.00 0.38 C ATOM 122 C CYS A 9 -6.724 10.436 -15.118 1.00 0.34 C ATOM 123 O CYS A 9 -7.150 10.166 -16.240 1.00 0.44 O ATOM 124 CB CYS A 9 -4.849 8.741 -15.071 1.00 0.49 C ATOM 125 SG CYS A 9 -3.776 7.717 -14.041 1.00 0.78 S ATOM 126 HA CYS A 9 -5.581 9.872 -13.414 1.00 0.00 H ATOM 127 HB2 CYS A 9 -4.249 9.536 -15.515 1.00 0.00 H ATOM 128 HB3 CYS A 9 -5.268 8.119 -15.862 1.00 0.00 H ATOM 129 H CYS A 9 -6.927 7.434 -14.366 1.00 0.00 H ATOM 130 N ILE A 10 -6.849 11.642 -14.551 1.00 0.44 N ATOM 131 CA ILE A 10 -7.406 12.813 -15.219 1.00 0.57 C ATOM 132 C ILE A 10 -6.534 13.140 -16.432 1.00 0.53 C ATOM 133 O ILE A 10 -7.035 13.305 -17.542 1.00 0.69 O ATOM 134 CB ILE A 10 -7.474 14.024 -14.263 1.00 0.78 C ATOM 135 CG1 ILE A 10 -7.982 13.661 -12.856 1.00 0.86 C ATOM 136 CG2 ILE A 10 -8.371 15.111 -14.871 1.00 0.97 C ATOM 137 CD1 ILE A 10 -6.820 13.600 -11.857 1.00 1.24 C ATOM 138 HA ILE A 10 -8.425 12.594 -15.538 1.00 0.00 H ATOM 139 HB ILE A 10 -6.454 14.389 -14.145 1.00 0.00 H ATOM 140 HG12 ILE A 10 -8.697 14.416 -12.528 1.00 0.00 H ATOM 141 HG13 ILE A 10 -8.474 12.689 -12.893 1.00 0.00 H ATOM 142 HD11 ILE A 10 -6.105 12.843 -12.179 1.00 0.00 H ATOM 143 HD12 ILE A 10 -6.328 14.572 -11.814 1.00 0.00 H ATOM 144 HD13 ILE A 10 -7.204 13.342 -10.870 1.00 0.00 H ATOM 145 HG21 ILE A 10 -7.958 15.428 -15.829 1.00 0.00 H ATOM 146 HG22 ILE A 10 -9.374 14.711 -15.021 1.00 0.00 H ATOM 147 HG23 ILE A 10 -8.416 15.964 -14.194 1.00 0.00 H ATOM 148 H ILE A 10 -6.527 11.752 -13.568 1.00 0.00 H ATOM 149 N LYS A 11 -5.221 13.224 -16.191 1.00 0.49 N ATOM 150 CA LYS A 11 -4.186 13.403 -17.196 1.00 0.47 C ATOM 151 C LYS A 11 -3.026 12.471 -16.857 1.00 0.42 C ATOM 152 O LYS A 11 -3.067 11.761 -15.853 1.00 0.62 O ATOM 153 CB LYS A 11 -3.696 14.862 -17.270 1.00 0.56 C ATOM 154 CG LYS A 11 -4.501 15.867 -16.440 1.00 1.39 C ATOM 155 CD LYS A 11 -3.944 17.282 -16.623 1.00 1.86 C ATOM 156 CE LYS A 11 -4.329 17.901 -17.972 1.00 2.62 C ATOM 157 NZ LYS A 11 -3.874 19.298 -18.063 1.00 3.10 N ATOM 158 HA LYS A 11 -4.600 13.162 -18.175 1.00 0.00 H ATOM 159 HB2 LYS A 11 -2.663 14.889 -16.922 1.00 0.00 H ATOM 160 HB3 LYS A 11 -3.735 15.178 -18.312 1.00 0.00 H ATOM 161 HG2 LYS A 11 -5.542 15.847 -16.762 1.00 0.00 H ATOM 162 HG3 LYS A 11 -4.442 15.592 -15.387 1.00 0.00 H ATOM 163 HD2 LYS A 11 -4.332 17.915 -15.825 1.00 0.00 H ATOM 164 HD3 LYS A 11 -2.857 17.240 -16.556 1.00 0.00 H ATOM 165 HE2 LYS A 11 -5.413 17.872 -18.081 1.00 0.00 H ATOM 166 HE3 LYS A 11 -3.869 17.323 -18.774 1.00 0.00 H ATOM 167 HZ1 LYS A 11 -4.314 19.855 -17.303 1.00 0.00 H ATOM 168 HZ2 LYS A 11 -2.839 19.331 -17.964 1.00 0.00 H ATOM 169 HZ3 LYS A 11 -4.148 19.691 -18.986 1.00 0.00 H ATOM 170 H LYS A 11 -4.914 13.155 -15.200 1.00 0.00 H ATOM 171 N THR A 12 -1.989 12.494 -17.698 1.00 0.38 N ATOM 172 CA THR A 12 -0.764 11.741 -17.491 1.00 0.33 C ATOM 173 C THR A 12 0.425 12.696 -17.580 1.00 0.32 C ATOM 174 O THR A 12 0.426 13.637 -18.374 1.00 0.37 O ATOM 175 CB THR A 12 -0.649 10.588 -18.496 1.00 0.35 C ATOM 176 OG1 THR A 12 -0.697 11.076 -19.823 1.00 0.39 O ATOM 177 CG2 THR A 12 -1.753 9.546 -18.293 1.00 0.39 C ATOM 178 HA THR A 12 -0.776 11.287 -16.500 1.00 0.00 H ATOM 179 HB THR A 12 0.313 10.105 -18.322 1.00 0.00 H ATOM 180 HG1 THR A 12 -0.621 10.318 -20.455 1.00 0.00 H ATOM 181 HG23 THR A 12 -1.714 9.172 -17.270 1.00 0.00 H ATOM 182 HG21 THR A 12 -2.724 10.007 -18.476 1.00 0.00 H ATOM 183 HG22 THR A 12 -1.604 8.721 -18.989 1.00 0.00 H ATOM 184 H THR A 12 -2.063 13.085 -18.550 1.00 0.00 H ATOM 185 N TYR A 13 1.435 12.441 -16.746 1.00 0.30 N ATOM 186 CA TYR A 13 2.627 13.251 -16.613 1.00 0.31 C ATOM 187 C TYR A 13 3.636 12.812 -17.664 1.00 0.33 C ATOM 188 O TYR A 13 4.514 11.994 -17.391 1.00 0.49 O ATOM 189 CB TYR A 13 3.168 13.099 -15.189 1.00 0.33 C ATOM 190 CG TYR A 13 4.268 14.077 -14.838 1.00 0.36 C ATOM 191 CD1 TYR A 13 3.956 15.441 -14.708 1.00 0.41 C ATOM 192 CD2 TYR A 13 5.589 13.636 -14.637 1.00 0.38 C ATOM 193 CE1 TYR A 13 4.959 16.369 -14.392 1.00 0.47 C ATOM 194 CE2 TYR A 13 6.597 14.564 -14.327 1.00 0.43 C ATOM 195 CZ TYR A 13 6.289 15.933 -14.230 1.00 0.47 C ATOM 196 OH TYR A 13 7.282 16.832 -13.973 1.00 0.54 O ATOM 197 HA TYR A 13 2.412 14.307 -16.777 1.00 0.00 H ATOM 198 HB3 TYR A 13 3.560 12.088 -15.078 1.00 0.00 H ATOM 199 HB2 TYR A 13 2.343 13.246 -14.492 1.00 0.00 H ATOM 200 HD2 TYR A 13 5.830 12.576 -14.722 1.00 0.00 H ATOM 201 HE2 TYR A 13 7.619 14.223 -14.161 1.00 0.00 H ATOM 202 HE1 TYR A 13 4.711 17.424 -14.272 1.00 0.00 H ATOM 203 HD1 TYR A 13 2.930 15.779 -14.853 1.00 0.00 H ATOM 204 HH TYR A 13 6.899 17.744 -13.937 1.00 0.00 H ATOM 205 H TYR A 13 1.360 11.595 -16.145 1.00 0.00 H ATOM 206 N SER A 14 3.501 13.362 -18.873 1.00 0.33 N ATOM 207 CA SER A 14 4.333 13.041 -20.018 1.00 0.33 C ATOM 208 C SER A 14 5.673 13.787 -19.956 1.00 0.34 C ATOM 209 O SER A 14 6.078 14.422 -20.928 1.00 0.41 O ATOM 210 CB SER A 14 3.526 13.370 -21.281 1.00 0.36 C ATOM 211 OG SER A 14 3.002 14.679 -21.187 1.00 0.41 O ATOM 212 HA SER A 14 4.593 11.982 -20.025 1.00 0.00 H ATOM 213 HB2 SER A 14 2.707 12.658 -21.383 1.00 0.00 H ATOM 214 HB3 SER A 14 4.175 13.302 -22.154 1.00 0.00 H ATOM 215 HG SER A 14 3.746 15.325 -21.096 1.00 0.00 H ATOM 216 H SER A 14 2.749 14.068 -19.003 1.00 0.00 H ATOM 217 N LYS A 15 6.360 13.710 -18.807 1.00 0.34 N ATOM 218 CA LYS A 15 7.649 14.343 -18.566 1.00 0.37 C ATOM 219 C LYS A 15 8.535 13.360 -17.788 1.00 0.35 C ATOM 220 O LYS A 15 8.137 12.942 -16.702 1.00 0.33 O ATOM 221 CB LYS A 15 7.452 15.633 -17.760 1.00 0.41 C ATOM 222 CG LYS A 15 6.616 16.685 -18.499 1.00 0.99 C ATOM 223 CD LYS A 15 6.507 17.954 -17.646 1.00 1.30 C ATOM 224 CE LYS A 15 5.614 18.997 -18.324 1.00 1.87 C ATOM 225 NZ LYS A 15 5.472 20.201 -17.489 1.00 2.64 N ATOM 226 HA LYS A 15 8.126 14.599 -19.512 1.00 0.00 H ATOM 227 HB2 LYS A 15 6.949 15.385 -16.825 1.00 0.00 H ATOM 228 HB3 LYS A 15 8.431 16.059 -17.542 1.00 0.00 H ATOM 229 HG2 LYS A 15 7.094 16.927 -19.448 1.00 0.00 H ATOM 230 HG3 LYS A 15 5.618 16.288 -18.687 1.00 0.00 H ATOM 231 HD2 LYS A 15 6.081 17.696 -16.676 1.00 0.00 H ATOM 232 HD3 LYS A 15 7.502 18.375 -17.504 1.00 0.00 H ATOM 233 HE2 LYS A 15 4.628 18.564 -18.495 1.00 0.00 H ATOM 234 HE3 LYS A 15 6.057 19.277 -19.280 1.00 0.00 H ATOM 235 HZ1 LYS A 15 5.045 19.941 -16.577 1.00 0.00 H ATOM 236 HZ2 LYS A 15 6.409 20.621 -17.327 1.00 0.00 H ATOM 237 HZ3 LYS A 15 4.862 20.889 -17.975 1.00 0.00 H ATOM 238 H LYS A 15 5.942 13.158 -18.031 1.00 0.00 H ATOM 239 N PRO A 16 9.718 12.977 -18.305 1.00 0.37 N ATOM 240 CA PRO A 16 10.665 12.118 -17.605 1.00 0.37 C ATOM 241 C PRO A 16 11.053 12.630 -16.215 1.00 0.37 C ATOM 242 O PRO A 16 11.149 13.837 -15.997 1.00 0.42 O ATOM 243 CB PRO A 16 11.907 12.047 -18.499 1.00 0.42 C ATOM 244 CG PRO A 16 11.367 12.331 -19.896 1.00 0.45 C ATOM 245 CD PRO A 16 10.214 13.298 -19.634 1.00 0.41 C ATOM 246 HA PRO A 16 10.205 11.145 -17.432 1.00 0.00 H ATOM 247 HD3 PRO A 16 10.568 14.328 -19.668 1.00 0.00 H ATOM 248 HD2 PRO A 16 9.427 13.160 -20.376 1.00 0.00 H ATOM 249 HG3 PRO A 16 11.011 11.417 -20.371 1.00 0.00 H ATOM 250 HG2 PRO A 16 12.129 12.792 -20.524 1.00 0.00 H ATOM 251 HB2 PRO A 16 12.640 12.798 -18.206 1.00 0.00 H ATOM 252 HB3 PRO A 16 12.363 11.058 -18.452 1.00 0.00 H ATOM 253 N PHE A 17 11.287 11.694 -15.287 1.00 0.35 N ATOM 254 CA PHE A 17 11.806 11.942 -13.947 1.00 0.36 C ATOM 255 C PHE A 17 12.333 10.619 -13.376 1.00 0.37 C ATOM 256 O PHE A 17 12.090 9.560 -13.954 1.00 0.61 O ATOM 257 CB PHE A 17 10.759 12.620 -13.047 1.00 0.35 C ATOM 258 CG PHE A 17 9.605 11.743 -12.601 1.00 0.36 C ATOM 259 CD1 PHE A 17 8.687 11.236 -13.541 1.00 0.63 C ATOM 260 CD2 PHE A 17 9.427 11.465 -11.233 1.00 0.31 C ATOM 261 CE1 PHE A 17 7.639 10.400 -13.122 1.00 0.75 C ATOM 262 CE2 PHE A 17 8.361 10.654 -10.812 1.00 0.32 C ATOM 263 CZ PHE A 17 7.480 10.102 -11.758 1.00 0.56 C ATOM 264 HA PHE A 17 12.634 12.649 -13.993 1.00 0.00 H ATOM 265 HB2 PHE A 17 11.269 12.982 -12.154 1.00 0.00 H ATOM 266 HB3 PHE A 17 10.344 13.466 -13.595 1.00 0.00 H ATOM 267 HD2 PHE A 17 10.118 11.880 -10.499 1.00 0.00 H ATOM 268 HE2 PHE A 17 8.216 10.452 -9.751 1.00 0.00 H ATOM 269 HZ PHE A 17 6.674 9.443 -11.434 1.00 0.00 H ATOM 270 HE1 PHE A 17 6.949 9.982 -13.855 1.00 0.00 H ATOM 271 HD1 PHE A 17 8.790 11.493 -14.595 1.00 0.00 H ATOM 272 H PHE A 17 11.081 10.707 -15.543 1.00 0.00 H ATOM 273 N HIS A 18 13.064 10.668 -12.256 1.00 0.32 N ATOM 274 CA HIS A 18 13.774 9.515 -11.714 1.00 0.29 C ATOM 275 C HIS A 18 12.843 8.574 -10.933 1.00 0.25 C ATOM 276 O HIS A 18 11.836 9.023 -10.388 1.00 0.27 O ATOM 277 CB HIS A 18 14.907 10.018 -10.811 1.00 0.33 C ATOM 278 CG HIS A 18 16.040 10.724 -11.517 1.00 0.33 C ATOM 279 ND1 HIS A 18 17.157 11.160 -10.805 1.00 0.30 N ATOM 280 CD2 HIS A 18 16.205 11.049 -12.839 1.00 0.39 C ATOM 281 CE1 HIS A 18 17.944 11.736 -11.718 1.00 0.35 C ATOM 282 NE2 HIS A 18 17.419 11.695 -12.952 1.00 0.40 N ATOM 283 HA HIS A 18 14.179 8.936 -12.544 1.00 0.00 H ATOM 284 HB2 HIS A 18 14.477 10.712 -10.089 1.00 0.00 H ATOM 285 HB3 HIS A 18 15.323 9.159 -10.285 1.00 0.00 H ATOM 286 HD2 HIS A 18 15.507 10.837 -13.649 1.00 0.00 H ATOM 287 HE1 HIS A 18 18.907 12.190 -11.486 1.00 0.00 H ATOM 288 H HIS A 18 13.129 11.573 -11.747 1.00 0.00 H ATOM 289 N PRO A 19 13.173 7.271 -10.859 1.00 0.24 N ATOM 290 CA PRO A 19 12.435 6.288 -10.074 1.00 0.25 C ATOM 291 C PRO A 19 12.696 6.427 -8.569 1.00 0.28 C ATOM 292 O PRO A 19 11.944 5.865 -7.775 1.00 0.32 O ATOM 293 CB PRO A 19 12.929 4.928 -10.574 1.00 0.29 C ATOM 294 CG PRO A 19 14.376 5.213 -10.968 1.00 0.30 C ATOM 295 CD PRO A 19 14.297 6.632 -11.531 1.00 0.27 C ATOM 296 HA PRO A 19 11.360 6.421 -10.199 1.00 0.00 H ATOM 297 HD3 PRO A 19 15.220 7.174 -11.324 1.00 0.00 H ATOM 298 HD2 PRO A 19 14.128 6.603 -12.607 1.00 0.00 H ATOM 299 HG3 PRO A 19 14.724 4.509 -11.724 1.00 0.00 H ATOM 300 HG2 PRO A 19 15.036 5.170 -10.101 1.00 0.00 H ATOM 301 HB2 PRO A 19 12.878 4.178 -9.785 1.00 0.00 H ATOM 302 HB3 PRO A 19 12.348 4.591 -11.432 1.00 0.00 H ATOM 303 N LYS A 20 13.749 7.158 -8.171 1.00 0.28 N ATOM 304 CA LYS A 20 14.155 7.336 -6.778 1.00 0.32 C ATOM 305 C LYS A 20 13.009 7.828 -5.887 1.00 0.32 C ATOM 306 O LYS A 20 12.946 7.483 -4.709 1.00 0.48 O ATOM 307 CB LYS A 20 15.363 8.283 -6.706 1.00 0.39 C ATOM 308 CG LYS A 20 15.010 9.733 -7.074 1.00 0.59 C ATOM 309 CD LYS A 20 16.253 10.603 -7.295 1.00 0.58 C ATOM 310 CE LYS A 20 17.044 10.815 -6.001 1.00 0.60 C ATOM 311 NZ LYS A 20 18.142 11.775 -6.200 1.00 1.45 N ATOM 312 HA LYS A 20 14.442 6.359 -6.389 1.00 0.00 H ATOM 313 HB2 LYS A 20 15.757 8.268 -5.690 1.00 0.00 H ATOM 314 HB3 LYS A 20 16.127 7.925 -7.396 1.00 0.00 H ATOM 315 HG2 LYS A 20 14.420 9.727 -7.990 1.00 0.00 H ATOM 316 HG3 LYS A 20 14.420 10.165 -6.266 1.00 0.00 H ATOM 317 HD2 LYS A 20 16.898 10.116 -8.026 1.00 0.00 H ATOM 318 HD3 LYS A 20 15.939 11.574 -7.679 1.00 0.00 H ATOM 319 HE2 LYS A 20 17.460 9.861 -5.678 1.00 0.00 H ATOM 320 HE3 LYS A 20 16.373 11.197 -5.232 1.00 0.00 H ATOM 321 HZ1 LYS A 20 18.789 11.414 -6.930 1.00 0.00 H ATOM 322 HZ2 LYS A 20 17.751 12.689 -6.504 1.00 0.00 H ATOM 323 HZ3 LYS A 20 18.660 11.898 -5.306 1.00 0.00 H ATOM 324 H LYS A 20 14.315 7.630 -8.904 1.00 0.00 H ATOM 325 N PHE A 21 12.108 8.635 -6.458 1.00 0.30 N ATOM 326 CA PHE A 21 10.995 9.254 -5.758 1.00 0.30 C ATOM 327 C PHE A 21 9.821 8.297 -5.522 1.00 0.25 C ATOM 328 O PHE A 21 8.861 8.698 -4.865 1.00 0.35 O ATOM 329 CB PHE A 21 10.531 10.467 -6.577 1.00 0.36 C ATOM 330 CG PHE A 21 11.619 11.493 -6.811 1.00 0.38 C ATOM 331 CD1 PHE A 21 12.083 12.266 -5.734 1.00 0.48 C ATOM 332 CD2 PHE A 21 12.169 11.675 -8.094 1.00 0.38 C ATOM 333 CE1 PHE A 21 13.127 13.187 -5.931 1.00 0.55 C ATOM 334 CE2 PHE A 21 13.197 12.611 -8.294 1.00 0.44 C ATOM 335 CZ PHE A 21 13.678 13.367 -7.212 1.00 0.51 C ATOM 336 HA PHE A 21 11.342 9.553 -4.769 1.00 0.00 H ATOM 337 HB2 PHE A 21 10.176 10.114 -7.545 1.00 0.00 H ATOM 338 HB3 PHE A 21 9.711 10.949 -6.045 1.00 0.00 H ATOM 339 HD2 PHE A 21 11.796 11.088 -8.934 1.00 0.00 H ATOM 340 HE2 PHE A 21 13.621 12.751 -9.288 1.00 0.00 H ATOM 341 HZ PHE A 21 14.477 14.092 -7.365 1.00 0.00 H ATOM 342 HE1 PHE A 21 13.510 13.763 -5.089 1.00 0.00 H ATOM 343 HD1 PHE A 21 11.634 12.152 -4.747 1.00 0.00 H ATOM 344 H PHE A 21 12.211 8.833 -7.474 1.00 0.00 H ATOM 345 N ILE A 22 9.871 7.061 -6.045 1.00 0.30 N ATOM 346 CA ILE A 22 8.677 6.163 -6.017 1.00 0.24 C ATOM 347 C ILE A 22 8.798 5.145 -4.879 1.00 0.24 C ATOM 348 O ILE A 22 9.798 4.467 -4.751 1.00 0.28 O ATOM 349 CB ILE A 22 8.571 5.406 -7.366 1.00 0.29 C ATOM 350 CG1 ILE A 22 8.263 6.382 -8.545 1.00 0.41 C ATOM 351 CG2 ILE A 22 7.457 4.355 -7.262 1.00 0.26 C ATOM 352 CD1 ILE A 22 8.037 7.899 -8.537 1.00 1.12 C ATOM 353 HA ILE A 22 7.786 6.770 -5.857 1.00 0.00 H ATOM 354 HB ILE A 22 9.528 4.926 -7.570 1.00 0.00 H ATOM 355 HG12 ILE A 22 9.098 6.241 -9.232 1.00 0.00 H ATOM 356 HG13 ILE A 22 7.354 5.980 -8.992 1.00 0.00 H ATOM 357 HD11 ILE A 22 7.180 8.134 -7.906 1.00 0.00 H ATOM 358 HD12 ILE A 22 8.925 8.395 -8.146 1.00 0.00 H ATOM 359 HD13 ILE A 22 7.846 8.242 -9.554 1.00 0.00 H ATOM 360 HG21 ILE A 22 7.695 3.653 -6.463 1.00 0.00 H ATOM 361 HG22 ILE A 22 6.511 4.850 -7.042 1.00 0.00 H ATOM 362 HG23 ILE A 22 7.376 3.818 -8.207 1.00 0.00 H ATOM 363 H ILE A 22 10.755 6.723 -6.476 1.00 0.00 H ATOM 364 N LYS A 23 7.761 5.071 -4.082 1.00 0.23 N ATOM 365 CA LYS A 23 7.750 4.109 -2.951 1.00 0.26 C ATOM 366 C LYS A 23 6.574 3.147 -3.109 1.00 0.22 C ATOM 367 O LYS A 23 6.610 2.037 -2.615 1.00 0.24 O ATOM 368 CB LYS A 23 7.601 4.873 -1.637 1.00 0.32 C ATOM 369 CG LYS A 23 8.963 5.433 -1.218 1.00 0.35 C ATOM 370 CD LYS A 23 9.693 4.407 -0.346 1.00 0.80 C ATOM 371 CE LYS A 23 11.021 5.005 0.122 1.00 0.96 C ATOM 372 NZ LYS A 23 12.117 4.003 0.005 1.00 1.58 N ATOM 373 HA LYS A 23 8.684 3.546 -2.946 1.00 0.00 H ATOM 374 HB2 LYS A 23 6.896 5.693 -1.771 1.00 0.00 H ATOM 375 HB3 LYS A 23 7.231 4.199 -0.864 1.00 0.00 H ATOM 376 HG2 LYS A 23 9.558 5.644 -2.107 1.00 0.00 H ATOM 377 HG3 LYS A 23 8.819 6.354 -0.652 1.00 0.00 H ATOM 378 HD2 LYS A 23 9.078 4.159 0.519 1.00 0.00 H ATOM 379 HD3 LYS A 23 9.883 3.504 -0.926 1.00 0.00 H ATOM 380 HE2 LYS A 23 10.928 5.315 1.163 1.00 0.00 H ATOM 381 HE3 LYS A 23 11.261 5.872 -0.494 1.00 0.00 H ATOM 382 HZ1 LYS A 23 11.893 3.176 0.594 1.00 0.00 H ATOM 383 HZ2 LYS A 23 12.211 3.708 -0.988 1.00 0.00 H ATOM 384 HZ3 LYS A 23 13.010 4.428 0.327 1.00 0.00 H ATOM 385 H LYS A 23 6.941 5.690 -4.242 1.00 0.00 H ATOM 386 N GLU A 24 5.551 3.599 -3.793 1.00 0.19 N ATOM 387 CA GLU A 24 4.353 2.719 -3.993 1.00 0.18 C ATOM 388 C GLU A 24 3.864 2.798 -5.445 1.00 0.18 C ATOM 389 O GLU A 24 3.744 3.870 -6.004 1.00 0.24 O ATOM 390 CB GLU A 24 3.236 3.178 -3.057 1.00 0.22 C ATOM 391 CG GLU A 24 1.907 2.589 -3.538 1.00 0.24 C ATOM 392 CD GLU A 24 0.906 2.586 -2.379 1.00 0.57 C ATOM 393 OE1 GLU A 24 0.778 3.637 -1.773 1.00 1.47 O ATOM 394 OE2 GLU A 24 0.325 1.536 -2.167 1.00 1.27 O ATOM 395 HA GLU A 24 4.629 1.688 -3.773 1.00 0.00 H ATOM 396 HB2 GLU A 24 3.443 2.833 -2.044 1.00 0.00 H ATOM 397 HB3 GLU A 24 3.177 4.266 -3.064 1.00 0.00 H ATOM 398 HG2 GLU A 24 1.515 3.193 -4.356 1.00 0.00 H ATOM 399 HG3 GLU A 24 2.065 1.568 -3.885 1.00 0.00 H ATOM 400 H GLU A 24 5.570 4.559 -4.193 1.00 0.00 H ATOM 401 N LEU A 25 3.591 1.651 -6.019 1.00 0.18 N ATOM 402 CA LEU A 25 3.103 1.619 -7.432 1.00 0.19 C ATOM 403 C LEU A 25 1.624 1.222 -7.469 1.00 0.19 C ATOM 404 O LEU A 25 1.157 0.480 -6.627 1.00 0.22 O ATOM 405 CB LEU A 25 3.920 0.596 -8.219 1.00 0.24 C ATOM 406 CG LEU A 25 3.763 0.866 -9.716 1.00 0.27 C ATOM 407 CD1 LEU A 25 4.884 1.798 -10.180 1.00 0.36 C ATOM 408 CD2 LEU A 25 3.859 -0.456 -10.478 1.00 0.39 C ATOM 409 HA LEU A 25 3.217 2.609 -7.874 1.00 0.00 H ATOM 410 HB2 LEU A 25 4.971 0.679 -7.942 1.00 0.00 H ATOM 411 HB3 LEU A 25 3.563 -0.408 -7.991 1.00 0.00 H ATOM 412 HG LEU A 25 2.796 1.331 -9.907 1.00 0.00 H ATOM 413 HD21 LEU A 25 4.830 -0.914 -10.288 1.00 0.00 H ATOM 414 HD22 LEU A 25 3.068 -1.126 -10.142 1.00 0.00 H ATOM 415 HD23 LEU A 25 3.747 -0.267 -11.546 1.00 0.00 H ATOM 416 HD11 LEU A 25 4.825 2.737 -9.630 1.00 0.00 H ATOM 417 HD12 LEU A 25 5.848 1.326 -9.992 1.00 0.00 H ATOM 418 HD13 LEU A 25 4.775 1.992 -11.247 1.00 0.00 H ATOM 419 H LEU A 25 3.714 0.763 -5.491 1.00 0.00 H ATOM 420 N ARG A 26 0.917 1.725 -8.444 1.00 0.19 N ATOM 421 CA ARG A 26 -0.535 1.386 -8.550 1.00 0.22 C ATOM 422 C ARG A 26 -0.945 1.259 -10.020 1.00 0.23 C ATOM 423 O ARG A 26 -0.770 2.180 -10.793 1.00 0.38 O ATOM 424 CB ARG A 26 -1.350 2.487 -7.888 1.00 0.28 C ATOM 425 CG ARG A 26 -1.672 2.086 -6.447 1.00 0.43 C ATOM 426 CD ARG A 26 -2.021 3.339 -5.639 1.00 0.51 C ATOM 427 NE ARG A 26 -3.244 3.965 -6.218 1.00 1.21 N ATOM 428 CZ ARG A 26 -4.072 4.595 -5.431 1.00 1.38 C ATOM 429 NH1 ARG A 26 -3.592 5.414 -4.537 1.00 1.95 N ATOM 430 NH2 ARG A 26 -5.353 4.386 -5.568 1.00 1.61 N ATOM 431 HA ARG A 26 -0.719 0.434 -8.052 1.00 0.00 H ATOM 432 HB2 ARG A 26 -0.777 3.414 -7.888 1.00 0.00 H ATOM 433 HB3 ARG A 26 -2.278 2.635 -8.440 1.00 0.00 H ATOM 434 HG2 ARG A 26 -2.519 1.400 -6.440 1.00 0.00 H ATOM 435 HG3 ARG A 26 -0.806 1.596 -6.003 1.00 0.00 H ATOM 436 HD2 ARG A 26 -1.192 4.046 -5.684 1.00 0.00 H ATOM 437 HD3 ARG A 26 -2.207 3.065 -4.601 1.00 0.00 H ATOM 438 HE ARG A 26 -3.435 3.900 -7.238 1.00 0.00 H ATOM 439 HH12 ARG A 26 -4.237 5.925 -3.901 1.00 0.00 H ATOM 440 HH11 ARG A 26 -2.565 5.556 -4.460 1.00 0.00 H ATOM 441 HH22 ARG A 26 -6.029 4.879 -4.950 1.00 0.00 H ATOM 442 HH21 ARG A 26 -5.698 3.727 -6.295 1.00 0.00 H ATOM 443 H ARG A 26 1.360 2.356 -9.141 1.00 0.00 H ATOM 444 N VAL A 27 -1.480 0.114 -10.370 1.00 0.23 N ATOM 445 CA VAL A 27 -1.916 -0.106 -11.786 1.00 0.23 C ATOM 446 C VAL A 27 -3.402 -0.476 -11.826 1.00 0.25 C ATOM 447 O VAL A 27 -3.820 -1.435 -11.209 1.00 0.36 O ATOM 448 CB VAL A 27 -1.095 -1.241 -12.394 1.00 0.25 C ATOM 449 CG1 VAL A 27 -1.397 -1.336 -13.890 1.00 0.30 C ATOM 450 CG2 VAL A 27 0.393 -0.946 -12.198 1.00 0.27 C ATOM 451 HA VAL A 27 -1.761 0.810 -12.356 1.00 0.00 H ATOM 452 HB VAL A 27 -1.351 -2.182 -11.907 1.00 0.00 H ATOM 453 HG11 VAL A 27 -2.459 -1.535 -14.033 1.00 0.00 H ATOM 454 HG12 VAL A 27 -1.134 -0.395 -14.373 1.00 0.00 H ATOM 455 HG13 VAL A 27 -0.812 -2.146 -14.327 1.00 0.00 H ATOM 456 HG21 VAL A 27 0.644 -0.007 -12.691 1.00 0.00 H ATOM 457 HG22 VAL A 27 0.609 -0.867 -11.133 1.00 0.00 H ATOM 458 HG23 VAL A 27 0.982 -1.754 -12.631 1.00 0.00 H ATOM 459 H VAL A 27 -1.601 -0.641 -9.665 1.00 0.00 H ATOM 460 N ILE A 28 -4.165 0.299 -12.558 1.00 0.19 N ATOM 461 CA ILE A 28 -5.634 0.022 -12.659 1.00 0.19 C ATOM 462 C ILE A 28 -6.013 -0.307 -14.108 1.00 0.21 C ATOM 463 O ILE A 28 -5.847 0.505 -14.997 1.00 0.25 O ATOM 464 CB ILE A 28 -6.402 1.263 -12.194 1.00 0.22 C ATOM 465 CG1 ILE A 28 -6.197 1.430 -10.679 1.00 0.28 C ATOM 466 CG2 ILE A 28 -7.894 1.083 -12.492 1.00 0.21 C ATOM 467 CD1 ILE A 28 -6.763 2.782 -10.224 1.00 0.44 C ATOM 468 HA ILE A 28 -5.888 -0.832 -12.031 1.00 0.00 H ATOM 469 HB ILE A 28 -6.037 2.146 -12.719 1.00 0.00 H ATOM 470 HG12 ILE A 28 -6.712 0.626 -10.153 1.00 0.00 H ATOM 471 HG13 ILE A 28 -5.132 1.388 -10.451 1.00 0.00 H ATOM 472 HD11 ILE A 28 -6.247 3.586 -10.749 1.00 0.00 H ATOM 473 HD12 ILE A 28 -7.828 2.823 -10.451 1.00 0.00 H ATOM 474 HD13 ILE A 28 -6.614 2.894 -9.150 1.00 0.00 H ATOM 475 HG21 ILE A 28 -8.035 0.949 -13.564 1.00 0.00 H ATOM 476 HG22 ILE A 28 -8.266 0.206 -11.962 1.00 0.00 H ATOM 477 HG23 ILE A 28 -8.439 1.967 -12.160 1.00 0.00 H ATOM 478 H ILE A 28 -3.751 1.105 -13.068 1.00 0.00 H ATOM 479 N GLU A 29 -6.513 -1.495 -14.309 1.00 0.23 N ATOM 480 CA GLU A 29 -6.908 -1.906 -15.689 1.00 0.27 C ATOM 481 C GLU A 29 -8.260 -1.284 -16.063 1.00 0.27 C ATOM 482 O GLU A 29 -8.974 -0.795 -15.211 1.00 0.27 O ATOM 483 CB GLU A 29 -7.016 -3.433 -15.735 1.00 0.30 C ATOM 484 CG GLU A 29 -7.575 -3.863 -17.094 1.00 0.40 C ATOM 485 CD GLU A 29 -7.288 -5.350 -17.313 1.00 0.83 C ATOM 486 OE1 GLU A 29 -6.809 -5.954 -16.368 1.00 1.53 O ATOM 487 OE2 GLU A 29 -7.563 -5.796 -18.415 1.00 1.55 O ATOM 488 HA GLU A 29 -6.157 -1.560 -16.400 1.00 0.00 H ATOM 489 HB2 GLU A 29 -6.029 -3.872 -15.592 1.00 0.00 H ATOM 490 HB3 GLU A 29 -7.682 -3.775 -14.943 1.00 0.00 H ATOM 491 HG2 GLU A 29 -8.651 -3.693 -17.115 1.00 0.00 H ATOM 492 HG3 GLU A 29 -7.101 -3.280 -17.884 1.00 0.00 H ATOM 493 H GLU A 29 -6.636 -2.152 -13.512 1.00 0.00 H ATOM 494 N SER A 30 -8.572 -1.312 -17.333 1.00 0.32 N ATOM 495 CA SER A 30 -9.873 -0.735 -17.795 1.00 0.34 C ATOM 496 C SER A 30 -10.995 -1.098 -16.816 1.00 0.35 C ATOM 497 O SER A 30 -11.230 -2.259 -16.545 1.00 0.39 O ATOM 498 CB SER A 30 -10.206 -1.301 -19.174 1.00 0.40 C ATOM 499 OG SER A 30 -9.928 -2.689 -19.056 1.00 0.45 O ATOM 500 HA SER A 30 -9.785 0.350 -17.844 1.00 0.00 H ATOM 501 HB2 SER A 30 -9.580 -0.845 -19.941 1.00 0.00 H ATOM 502 HB3 SER A 30 -11.256 -1.136 -19.417 1.00 0.00 H ATOM 503 HG SER A 30 -10.497 -3.079 -18.346 1.00 0.00 H ATOM 504 H SER A 30 -7.917 -1.735 -18.021 1.00 0.00 H ATOM 505 N GLY A 31 -11.661 -0.090 -16.310 1.00 0.35 N ATOM 506 CA GLY A 31 -12.776 -0.338 -15.345 1.00 0.38 C ATOM 507 C GLY A 31 -14.074 0.291 -15.870 1.00 0.42 C ATOM 508 O GLY A 31 -14.130 0.770 -16.985 1.00 0.42 O ATOM 509 HA3 GLY A 31 -12.524 0.104 -14.381 1.00 0.00 H ATOM 510 HA2 GLY A 31 -12.918 -1.412 -15.225 1.00 0.00 H ATOM 511 H GLY A 31 -11.414 0.884 -16.580 1.00 0.00 H ATOM 512 N PRO A 32 -15.099 0.271 -15.044 1.00 0.46 N ATOM 513 CA PRO A 32 -16.403 0.836 -15.417 1.00 0.51 C ATOM 514 C PRO A 32 -16.282 2.349 -15.615 1.00 0.49 C ATOM 515 O PRO A 32 -17.243 3.019 -15.938 1.00 0.53 O ATOM 516 CB PRO A 32 -17.331 0.518 -14.237 1.00 0.55 C ATOM 517 CG PRO A 32 -16.480 -0.234 -13.166 1.00 0.54 C ATOM 518 CD PRO A 32 -15.035 -0.306 -13.694 1.00 0.47 C ATOM 519 HA PRO A 32 -16.781 0.421 -16.351 1.00 0.00 H ATOM 520 HD3 PRO A 32 -14.365 0.274 -13.060 1.00 0.00 H ATOM 521 HD2 PRO A 32 -14.692 -1.340 -13.734 1.00 0.00 H ATOM 522 HG3 PRO A 32 -16.873 -1.240 -13.016 1.00 0.00 H ATOM 523 HG2 PRO A 32 -16.505 0.309 -12.221 1.00 0.00 H ATOM 524 HB2 PRO A 32 -17.729 1.441 -13.816 1.00 0.00 H ATOM 525 HB3 PRO A 32 -18.155 -0.113 -14.570 1.00 0.00 H ATOM 526 N HIS A 33 -15.091 2.841 -15.413 1.00 0.45 N ATOM 527 CA HIS A 33 -14.842 4.306 -15.572 1.00 0.46 C ATOM 528 C HIS A 33 -13.784 4.535 -16.654 1.00 0.44 C ATOM 529 O HIS A 33 -13.682 5.611 -17.210 1.00 0.51 O ATOM 530 CB HIS A 33 -14.330 4.852 -14.248 1.00 0.44 C ATOM 531 CG HIS A 33 -12.924 4.301 -14.001 1.00 0.36 C ATOM 532 ND1 HIS A 33 -12.596 3.050 -14.070 1.00 0.33 N ATOM 533 CD2 HIS A 33 -11.746 4.975 -13.689 1.00 0.34 C ATOM 534 CE1 HIS A 33 -11.347 2.894 -13.834 1.00 0.29 C ATOM 535 NE2 HIS A 33 -10.803 4.052 -13.600 1.00 0.28 N ATOM 536 HA HIS A 33 -15.764 4.811 -15.861 1.00 0.00 H ATOM 537 HB2 HIS A 33 -14.296 5.941 -14.288 1.00 0.00 H ATOM 538 HB3 HIS A 33 -14.993 4.540 -13.441 1.00 0.00 H ATOM 539 HD2 HIS A 33 -11.625 6.049 -13.547 1.00 0.00 H ATOM 540 HE1 HIS A 33 -10.821 1.939 -13.830 1.00 0.00 H ATOM 541 H HIS A 33 -14.310 2.210 -15.140 1.00 0.00 H ATOM 542 N CYS A 34 -13.018 3.511 -16.922 1.00 0.38 N ATOM 543 CA CYS A 34 -11.951 3.636 -17.958 1.00 0.38 C ATOM 544 C CYS A 34 -11.930 2.387 -18.848 1.00 0.39 C ATOM 545 O CYS A 34 -11.936 1.274 -18.360 1.00 0.39 O ATOM 546 CB CYS A 34 -10.601 3.790 -17.260 1.00 0.35 C ATOM 547 SG CYS A 34 -9.327 4.736 -18.124 1.00 0.45 S ATOM 548 HA CYS A 34 -12.150 4.507 -18.582 1.00 0.00 H ATOM 549 HB2 CYS A 34 -10.205 2.789 -17.086 1.00 0.00 H ATOM 550 HB3 CYS A 34 -10.781 4.279 -16.303 1.00 0.00 H ATOM 551 H CYS A 34 -13.151 2.613 -16.415 1.00 0.00 H ATOM 552 N ALA A 35 -11.905 2.603 -20.136 1.00 0.43 N ATOM 553 CA ALA A 35 -11.888 1.445 -21.076 1.00 0.47 C ATOM 554 C ALA A 35 -10.454 1.153 -21.534 1.00 0.46 C ATOM 555 O ALA A 35 -10.241 0.581 -22.585 1.00 0.52 O ATOM 556 CB ALA A 35 -12.753 1.777 -22.290 1.00 0.53 C ATOM 557 HA ALA A 35 -12.280 0.564 -20.568 1.00 0.00 H ATOM 558 HB1 ALA A 35 -13.775 1.972 -21.964 1.00 0.00 H ATOM 559 HB2 ALA A 35 -12.354 2.661 -22.788 1.00 0.00 H ATOM 560 HB3 ALA A 35 -12.745 0.934 -22.982 1.00 0.00 H ATOM 561 H ALA A 35 -11.897 3.576 -20.504 1.00 0.00 H ATOM 562 N ASN A 36 -9.503 1.550 -20.731 1.00 0.42 N ATOM 563 CA ASN A 36 -8.075 1.312 -21.105 1.00 0.43 C ATOM 564 C ASN A 36 -7.261 0.902 -19.878 1.00 0.39 C ATOM 565 O ASN A 36 -7.762 0.282 -18.970 1.00 0.44 O ATOM 566 CB ASN A 36 -7.494 2.597 -21.696 1.00 0.46 C ATOM 567 CG ASN A 36 -8.408 3.099 -22.816 1.00 0.58 C ATOM 568 OD1 ASN A 36 -8.977 2.327 -23.560 1.00 1.19 O ATOM 569 ND2 ASN A 36 -8.575 4.384 -22.968 1.00 1.16 N ATOM 570 HA ASN A 36 -8.028 0.507 -21.838 1.00 0.00 H ATOM 571 HB2 ASN A 36 -7.422 3.356 -20.917 1.00 0.00 H ATOM 572 HB3 ASN A 36 -6.501 2.396 -22.099 1.00 0.00 H ATOM 573 HD22 ASN A 36 -8.090 5.050 -22.333 1.00 0.00 H ATOM 574 HD21 ASN A 36 -9.193 4.742 -23.724 1.00 0.00 H ATOM 575 H ASN A 36 -9.738 2.028 -19.838 1.00 0.00 H ATOM 576 N THR A 37 -6.014 1.254 -19.897 1.00 0.39 N ATOM 577 CA THR A 37 -5.120 0.914 -18.747 1.00 0.36 C ATOM 578 C THR A 37 -4.357 2.162 -18.294 1.00 0.34 C ATOM 579 O THR A 37 -3.922 2.954 -19.106 1.00 0.40 O ATOM 580 CB THR A 37 -4.136 -0.171 -19.188 1.00 0.43 C ATOM 581 OG1 THR A 37 -4.641 -1.370 -18.611 1.00 0.46 O ATOM 582 CG2 THR A 37 -2.748 0.016 -18.574 1.00 0.45 C ATOM 583 HA THR A 37 -5.717 0.548 -17.911 1.00 0.00 H ATOM 584 HB THR A 37 -4.046 -0.160 -20.274 1.00 0.00 H ATOM 585 HG1 THR A 37 -4.050 -2.126 -18.855 1.00 0.00 H ATOM 586 HG23 THR A 37 -2.295 0.924 -18.973 1.00 0.00 H ATOM 587 HG21 THR A 37 -2.839 0.100 -17.491 1.00 0.00 H ATOM 588 HG22 THR A 37 -2.124 -0.842 -18.822 1.00 0.00 H ATOM 589 H THR A 37 -5.634 1.774 -20.714 1.00 0.00 H ATOM 590 N GLU A 38 -4.212 2.309 -17.002 1.00 0.31 N ATOM 591 CA GLU A 38 -3.482 3.501 -16.469 1.00 0.34 C ATOM 592 C GLU A 38 -2.545 3.082 -15.332 1.00 0.29 C ATOM 593 O GLU A 38 -2.949 2.402 -14.410 1.00 0.32 O ATOM 594 CB GLU A 38 -4.498 4.514 -15.945 1.00 0.42 C ATOM 595 CG GLU A 38 -5.735 4.492 -16.846 1.00 1.06 C ATOM 596 CD GLU A 38 -6.596 5.723 -16.553 1.00 1.86 C ATOM 597 OE1 GLU A 38 -6.989 5.849 -15.405 1.00 2.43 O ATOM 598 OE2 GLU A 38 -6.812 6.467 -17.495 1.00 2.55 O ATOM 599 HA GLU A 38 -2.889 3.947 -17.267 1.00 0.00 H ATOM 600 HB2 GLU A 38 -4.783 4.252 -14.926 1.00 0.00 H ATOM 601 HB3 GLU A 38 -4.058 5.511 -15.953 1.00 0.00 H ATOM 602 HG2 GLU A 38 -5.425 4.504 -17.891 1.00 0.00 H ATOM 603 HG3 GLU A 38 -6.312 3.588 -16.650 1.00 0.00 H ATOM 604 H GLU A 38 -4.602 1.600 -16.349 1.00 0.00 H ATOM 605 N ILE A 39 -1.288 3.536 -15.446 1.00 0.27 N ATOM 606 CA ILE A 39 -0.257 3.423 -14.429 1.00 0.24 C ATOM 607 C ILE A 39 -0.332 4.670 -13.548 1.00 0.23 C ATOM 608 O ILE A 39 -0.426 5.794 -14.039 1.00 0.26 O ATOM 609 CB ILE A 39 1.133 3.264 -15.079 1.00 0.28 C ATOM 610 CG1 ILE A 39 1.204 1.916 -15.822 1.00 0.41 C ATOM 611 CG2 ILE A 39 2.246 3.341 -14.019 1.00 0.32 C ATOM 612 CD1 ILE A 39 2.475 1.765 -16.665 1.00 0.62 C ATOM 613 HA ILE A 39 -0.417 2.535 -13.817 1.00 0.00 H ATOM 614 HB ILE A 39 1.282 4.079 -15.788 1.00 0.00 H ATOM 615 HG12 ILE A 39 1.176 1.112 -15.087 1.00 0.00 H ATOM 616 HG13 ILE A 39 0.339 1.835 -16.480 1.00 0.00 H ATOM 617 HD11 ILE A 39 2.511 2.558 -17.412 1.00 0.00 H ATOM 618 HD12 ILE A 39 3.349 1.834 -16.018 1.00 0.00 H ATOM 619 HD13 ILE A 39 2.466 0.796 -17.163 1.00 0.00 H ATOM 620 HG21 ILE A 39 2.201 4.307 -13.517 1.00 0.00 H ATOM 621 HG22 ILE A 39 2.106 2.544 -13.289 1.00 0.00 H ATOM 622 HG23 ILE A 39 3.216 3.226 -14.503 1.00 0.00 H ATOM 623 H ILE A 39 -1.030 4.008 -16.336 1.00 0.00 H ATOM 624 N ILE A 40 -0.286 4.437 -12.237 1.00 0.20 N ATOM 625 CA ILE A 40 -0.369 5.410 -11.163 1.00 0.21 C ATOM 626 C ILE A 40 0.801 5.132 -10.223 1.00 0.21 C ATOM 627 O ILE A 40 1.304 4.009 -10.165 1.00 0.26 O ATOM 628 CB ILE A 40 -1.734 5.298 -10.449 1.00 0.23 C ATOM 629 CG1 ILE A 40 -2.863 5.294 -11.496 1.00 0.36 C ATOM 630 CG2 ILE A 40 -1.899 6.418 -9.412 1.00 0.42 C ATOM 631 CD1 ILE A 40 -4.265 5.544 -10.937 1.00 0.76 C ATOM 632 HA ILE A 40 -0.303 6.432 -11.537 1.00 0.00 H ATOM 633 HB ILE A 40 -1.785 4.358 -9.900 1.00 0.00 H ATOM 634 HG12 ILE A 40 -2.647 6.071 -12.229 1.00 0.00 H ATOM 635 HG13 ILE A 40 -2.864 4.322 -11.989 1.00 0.00 H ATOM 636 HD11 ILE A 40 -4.509 4.768 -10.211 1.00 0.00 H ATOM 637 HD12 ILE A 40 -4.293 6.519 -10.451 1.00 0.00 H ATOM 638 HD13 ILE A 40 -4.989 5.522 -11.752 1.00 0.00 H ATOM 639 HG21 ILE A 40 -1.105 6.343 -8.669 1.00 0.00 H ATOM 640 HG22 ILE A 40 -1.841 7.385 -9.911 1.00 0.00 H ATOM 641 HG23 ILE A 40 -2.868 6.318 -8.922 1.00 0.00 H ATOM 642 H ILE A 40 -0.178 3.443 -11.950 1.00 0.00 H ATOM 643 N VAL A 41 1.247 6.153 -9.491 1.00 0.21 N ATOM 644 CA VAL A 41 2.378 6.032 -8.597 1.00 0.20 C ATOM 645 C VAL A 41 2.269 7.060 -7.473 1.00 0.19 C ATOM 646 O VAL A 41 1.821 8.184 -7.698 1.00 0.23 O ATOM 647 CB VAL A 41 3.670 6.158 -9.421 1.00 0.23 C ATOM 648 CG1 VAL A 41 3.968 7.583 -9.902 1.00 0.37 C ATOM 649 CG2 VAL A 41 4.862 5.645 -8.629 1.00 0.36 C ATOM 650 HA VAL A 41 2.393 5.056 -8.111 1.00 0.00 H ATOM 651 HB VAL A 41 3.505 5.548 -10.309 1.00 0.00 H ATOM 652 HG11 VAL A 41 3.149 7.931 -10.532 1.00 0.00 H ATOM 653 HG12 VAL A 41 4.071 8.242 -9.040 1.00 0.00 H ATOM 654 HG13 VAL A 41 4.895 7.585 -10.475 1.00 0.00 H ATOM 655 HG21 VAL A 41 4.967 6.229 -7.715 1.00 0.00 H ATOM 656 HG22 VAL A 41 4.705 4.596 -8.376 1.00 0.00 H ATOM 657 HG23 VAL A 41 5.766 5.743 -9.230 1.00 0.00 H ATOM 658 H VAL A 41 0.764 7.071 -9.565 1.00 0.00 H ATOM 659 N LYS A 42 2.680 6.667 -6.262 1.00 0.20 N ATOM 660 CA LYS A 42 2.740 7.548 -5.111 1.00 0.21 C ATOM 661 C LYS A 42 4.016 8.378 -5.201 1.00 0.20 C ATOM 662 O LYS A 42 5.105 7.829 -5.374 1.00 0.20 O ATOM 663 CB LYS A 42 2.728 6.706 -3.834 1.00 0.25 C ATOM 664 CG LYS A 42 2.532 7.503 -2.536 1.00 0.42 C ATOM 665 CD LYS A 42 1.164 8.186 -2.368 1.00 0.69 C ATOM 666 CE LYS A 42 0.016 7.265 -1.926 1.00 1.02 C ATOM 667 NZ LYS A 42 -0.449 6.354 -2.986 1.00 1.67 N ATOM 668 HA LYS A 42 1.880 8.218 -5.092 1.00 0.00 H ATOM 669 HB2 LYS A 42 1.917 5.982 -3.913 1.00 0.00 H ATOM 670 HB3 LYS A 42 3.679 6.178 -3.767 1.00 0.00 H ATOM 671 HG2 LYS A 42 2.669 6.818 -1.699 1.00 0.00 H ATOM 672 HG3 LYS A 42 3.299 8.277 -2.500 1.00 0.00 H ATOM 673 HD2 LYS A 42 1.270 8.973 -1.621 1.00 0.00 H ATOM 674 HD3 LYS A 42 0.890 8.630 -3.325 1.00 0.00 H ATOM 675 HE2 LYS A 42 -0.823 7.886 -1.612 1.00 0.00 H ATOM 676 HE3 LYS A 42 0.359 6.666 -1.082 1.00 0.00 H ATOM 677 HZ1 LYS A 42 -0.790 6.911 -3.795 1.00 0.00 H ATOM 678 HZ2 LYS A 42 0.339 5.746 -3.289 1.00 0.00 H ATOM 679 HZ3 LYS A 42 -1.222 5.763 -2.619 1.00 0.00 H ATOM 680 H LYS A 42 2.972 5.676 -6.139 1.00 0.00 H ATOM 681 N LEU A 43 3.870 9.698 -5.081 1.00 0.22 N ATOM 682 CA LEU A 43 4.966 10.644 -5.150 1.00 0.24 C ATOM 683 C LEU A 43 5.443 10.932 -3.725 1.00 0.27 C ATOM 684 O LEU A 43 4.639 11.300 -2.870 1.00 0.33 O ATOM 685 CB LEU A 43 4.453 11.889 -5.883 1.00 0.29 C ATOM 686 CG LEU A 43 5.405 13.083 -5.851 1.00 0.35 C ATOM 687 CD1 LEU A 43 6.791 12.742 -6.398 1.00 0.42 C ATOM 688 CD2 LEU A 43 4.801 14.243 -6.650 1.00 0.51 C ATOM 689 HA LEU A 43 5.824 10.261 -5.702 1.00 0.00 H ATOM 690 HB2 LEU A 43 4.277 11.622 -6.925 1.00 0.00 H ATOM 691 HB3 LEU A 43 3.512 12.191 -5.423 1.00 0.00 H ATOM 692 HG LEU A 43 5.533 13.370 -4.807 1.00 0.00 H ATOM 693 HD21 LEU A 43 4.646 13.930 -7.682 1.00 0.00 H ATOM 694 HD22 LEU A 43 3.846 14.528 -6.209 1.00 0.00 H ATOM 695 HD23 LEU A 43 5.483 15.093 -6.625 1.00 0.00 H ATOM 696 HD11 LEU A 43 7.231 11.945 -5.798 1.00 0.00 H ATOM 697 HD12 LEU A 43 6.701 12.412 -7.433 1.00 0.00 H ATOM 698 HD13 LEU A 43 7.426 13.627 -6.352 1.00 0.00 H ATOM 699 H LEU A 43 2.911 10.071 -4.929 1.00 0.00 H ATOM 700 N SER A 44 6.750 10.764 -3.472 1.00 0.29 N ATOM 701 CA SER A 44 7.353 10.959 -2.156 1.00 0.35 C ATOM 702 C SER A 44 7.237 12.406 -1.658 1.00 0.38 C ATOM 703 O SER A 44 7.363 12.644 -0.459 1.00 0.46 O ATOM 704 CB SER A 44 8.808 10.478 -2.166 1.00 0.38 C ATOM 705 OG SER A 44 9.498 10.986 -3.286 1.00 0.55 O ATOM 706 HA SER A 44 6.790 10.354 -1.445 1.00 0.00 H ATOM 707 HB2 SER A 44 8.824 9.389 -2.201 1.00 0.00 H ATOM 708 HB3 SER A 44 9.303 10.819 -1.257 1.00 0.00 H ATOM 709 HG SER A 44 9.489 11.976 -3.256 1.00 0.00 H ATOM 710 H SER A 44 7.369 10.479 -4.258 1.00 0.00 H ATOM 711 N ASP A 45 6.986 13.364 -2.561 1.00 0.38 N ATOM 712 CA ASP A 45 6.679 14.747 -2.212 1.00 0.48 C ATOM 713 C ASP A 45 5.456 14.814 -1.288 1.00 0.50 C ATOM 714 O ASP A 45 5.396 15.677 -0.414 1.00 0.59 O ATOM 715 CB ASP A 45 6.464 15.569 -3.492 1.00 0.52 C ATOM 716 CG ASP A 45 6.644 17.068 -3.268 1.00 0.48 C ATOM 717 OD1 ASP A 45 5.714 17.680 -2.699 1.00 1.19 O ATOM 718 OD2 ASP A 45 7.711 17.576 -3.676 1.00 1.17 O ATOM 719 HA ASP A 45 7.521 15.175 -1.667 1.00 0.00 H ATOM 720 HB2 ASP A 45 7.182 15.240 -4.243 1.00 0.00 H ATOM 721 HB3 ASP A 45 5.452 15.390 -3.856 1.00 0.00 H ATOM 722 H ASP A 45 7.012 13.107 -3.568 1.00 0.00 H ATOM 723 N GLY A 46 4.492 13.900 -1.479 1.00 0.44 N ATOM 724 CA GLY A 46 3.302 13.778 -0.650 1.00 0.51 C ATOM 725 C GLY A 46 2.091 13.316 -1.461 1.00 0.48 C ATOM 726 O GLY A 46 1.251 12.574 -0.955 1.00 0.56 O ATOM 727 HA3 GLY A 46 3.080 14.748 -0.205 1.00 0.00 H ATOM 728 HA2 GLY A 46 3.495 13.053 0.141 1.00 0.00 H ATOM 729 H GLY A 46 4.603 13.235 -2.271 1.00 0.00 H ATOM 730 N ARG A 47 2.005 13.767 -2.717 1.00 0.39 N ATOM 731 CA ARG A 47 0.851 13.584 -3.586 1.00 0.38 C ATOM 732 C ARG A 47 0.889 12.227 -4.303 1.00 0.33 C ATOM 733 O ARG A 47 1.606 11.311 -3.899 1.00 0.43 O ATOM 734 CB ARG A 47 0.825 14.738 -4.606 1.00 0.40 C ATOM 735 CG ARG A 47 1.063 16.119 -3.979 1.00 0.58 C ATOM 736 CD ARG A 47 0.890 17.220 -5.023 1.00 1.03 C ATOM 737 NE ARG A 47 1.831 17.046 -6.138 1.00 1.28 N ATOM 738 CZ ARG A 47 3.056 17.591 -6.233 1.00 1.84 C ATOM 739 NH1 ARG A 47 3.574 18.320 -5.235 1.00 2.38 N ATOM 740 NH2 ARG A 47 3.775 17.399 -7.346 1.00 2.50 N ATOM 741 HA ARG A 47 -0.057 13.594 -2.982 1.00 0.00 H ATOM 742 HB2 ARG A 47 1.602 14.558 -5.350 1.00 0.00 H ATOM 743 HB3 ARG A 47 -0.149 14.744 -5.094 1.00 0.00 H ATOM 744 HG2 ARG A 47 0.347 16.275 -3.172 1.00 0.00 H ATOM 745 HG3 ARG A 47 2.076 16.161 -3.578 1.00 0.00 H ATOM 746 HD2 ARG A 47 1.069 18.187 -4.553 1.00 0.00 H ATOM 747 HD3 ARG A 47 -0.129 17.188 -5.409 1.00 0.00 H ATOM 748 HE ARG A 47 1.520 16.445 -6.928 1.00 0.00 H ATOM 749 HH12 ARG A 47 4.524 18.732 -5.331 1.00 0.00 H ATOM 750 HH11 ARG A 47 3.026 18.474 -4.365 1.00 0.00 H ATOM 751 HH22 ARG A 47 4.724 17.816 -7.430 1.00 0.00 H ATOM 752 HH21 ARG A 47 3.384 16.833 -8.126 1.00 0.00 H ATOM 753 H ARG A 47 2.821 14.286 -3.101 1.00 0.00 H ATOM 754 N GLU A 48 0.108 12.121 -5.384 1.00 0.29 N ATOM 755 CA GLU A 48 0.104 11.014 -6.325 1.00 0.26 C ATOM 756 C GLU A 48 0.394 11.572 -7.715 1.00 0.26 C ATOM 757 O GLU A 48 0.368 12.785 -7.928 1.00 0.33 O ATOM 758 CB GLU A 48 -1.244 10.283 -6.310 1.00 0.31 C ATOM 759 CG GLU A 48 -1.311 9.270 -5.166 1.00 1.27 C ATOM 760 CD GLU A 48 -2.576 8.427 -5.270 1.00 1.57 C ATOM 761 OE1 GLU A 48 -2.636 7.622 -6.225 1.00 2.19 O ATOM 762 OE2 GLU A 48 -3.455 8.599 -4.399 1.00 1.81 O ATOM 763 HA GLU A 48 0.868 10.289 -6.043 1.00 0.00 H ATOM 764 HB2 GLU A 48 -2.044 11.013 -6.186 1.00 0.00 H ATOM 765 HB3 GLU A 48 -1.376 9.760 -7.257 1.00 0.00 H ATOM 766 HG2 GLU A 48 -0.440 8.617 -5.214 1.00 0.00 H ATOM 767 HG3 GLU A 48 -1.312 9.803 -4.215 1.00 0.00 H ATOM 768 H GLU A 48 -0.556 12.901 -5.567 1.00 0.00 H ATOM 769 N LEU A 49 0.681 10.668 -8.654 1.00 0.24 N ATOM 770 CA LEU A 49 1.117 11.007 -9.993 1.00 0.26 C ATOM 771 C LEU A 49 0.680 9.883 -10.936 1.00 0.25 C ATOM 772 O LEU A 49 0.695 8.718 -10.548 1.00 0.43 O ATOM 773 CB LEU A 49 2.640 11.210 -9.922 1.00 0.32 C ATOM 774 CG LEU A 49 3.316 11.788 -11.170 1.00 0.37 C ATOM 775 CD1 LEU A 49 2.607 13.066 -11.626 1.00 0.75 C ATOM 776 CD2 LEU A 49 4.782 12.098 -10.817 1.00 0.55 C ATOM 777 HA LEU A 49 0.674 11.924 -10.382 1.00 0.00 H ATOM 778 HB2 LEU A 49 2.845 11.886 -9.092 1.00 0.00 H ATOM 779 HB3 LEU A 49 3.094 10.240 -9.720 1.00 0.00 H ATOM 780 HG LEU A 49 3.263 11.067 -11.986 1.00 0.00 H ATOM 781 HD21 LEU A 49 4.813 12.821 -10.002 1.00 0.00 H ATOM 782 HD22 LEU A 49 5.282 11.180 -10.509 1.00 0.00 H ATOM 783 HD23 LEU A 49 5.285 12.511 -11.691 1.00 0.00 H ATOM 784 HD11 LEU A 49 1.567 12.839 -11.861 1.00 0.00 H ATOM 785 HD12 LEU A 49 2.647 13.807 -10.828 1.00 0.00 H ATOM 786 HD13 LEU A 49 3.104 13.459 -12.513 1.00 0.00 H ATOM 787 H LEU A 49 0.586 9.661 -8.410 1.00 0.00 H ATOM 788 N CYS A 50 0.277 10.233 -12.162 1.00 0.22 N ATOM 789 CA CYS A 50 -0.211 9.306 -13.179 1.00 0.21 C ATOM 790 C CYS A 50 0.771 9.295 -14.341 1.00 0.22 C ATOM 791 O CYS A 50 1.104 10.363 -14.846 1.00 0.28 O ATOM 792 CB CYS A 50 -1.594 9.752 -13.661 1.00 0.25 C ATOM 793 SG CYS A 50 -2.969 9.050 -12.721 1.00 0.53 S ATOM 794 HA CYS A 50 -0.294 8.302 -12.762 1.00 0.00 H ATOM 795 HB2 CYS A 50 -1.705 9.454 -14.704 1.00 0.00 H ATOM 796 HB3 CYS A 50 -1.648 10.838 -13.587 1.00 0.00 H ATOM 797 H CYS A 50 0.314 11.242 -12.410 1.00 0.00 H ATOM 798 N LEU A 51 1.233 8.109 -14.759 1.00 0.22 N ATOM 799 CA LEU A 51 2.227 7.986 -15.868 1.00 0.24 C ATOM 800 C LEU A 51 1.555 7.432 -17.126 1.00 0.28 C ATOM 801 O LEU A 51 0.534 6.779 -17.052 1.00 0.35 O ATOM 802 CB LEU A 51 3.341 7.033 -15.434 1.00 0.24 C ATOM 803 CG LEU A 51 3.778 7.380 -14.008 1.00 0.31 C ATOM 804 CD1 LEU A 51 4.945 6.477 -13.610 1.00 0.36 C ATOM 805 CD2 LEU A 51 4.229 8.841 -13.961 1.00 0.44 C ATOM 806 HA LEU A 51 2.637 8.971 -16.090 1.00 0.00 H ATOM 807 HB2 LEU A 51 2.974 6.007 -15.463 1.00 0.00 H ATOM 808 HB3 LEU A 51 4.190 7.133 -16.110 1.00 0.00 H ATOM 809 HG LEU A 51 2.946 7.232 -13.319 1.00 0.00 H ATOM 810 HD21 LEU A 51 5.065 8.984 -14.645 1.00 0.00 H ATOM 811 HD22 LEU A 51 3.401 9.485 -14.257 1.00 0.00 H ATOM 812 HD23 LEU A 51 4.541 9.091 -12.947 1.00 0.00 H ATOM 813 HD11 LEU A 51 4.628 5.435 -13.654 1.00 0.00 H ATOM 814 HD12 LEU A 51 5.776 6.635 -14.298 1.00 0.00 H ATOM 815 HD13 LEU A 51 5.261 6.719 -12.595 1.00 0.00 H ATOM 816 H LEU A 51 0.888 7.244 -14.296 1.00 0.00 H ATOM 817 N ASP A 52 2.153 7.707 -18.254 1.00 0.31 N ATOM 818 CA ASP A 52 1.580 7.210 -19.538 1.00 0.38 C ATOM 819 C ASP A 52 2.453 6.043 -20.085 1.00 0.32 C ATOM 820 O ASP A 52 3.565 6.276 -20.516 1.00 0.31 O ATOM 821 CB ASP A 52 1.601 8.353 -20.552 1.00 0.48 C ATOM 822 CG ASP A 52 0.512 8.121 -21.600 1.00 0.65 C ATOM 823 OD1 ASP A 52 0.250 6.958 -21.859 1.00 0.62 O ATOM 824 OD2 ASP A 52 0.004 9.120 -22.083 1.00 1.03 O ATOM 825 HA ASP A 52 0.562 6.858 -19.374 1.00 0.00 H ATOM 826 HB2 ASP A 52 1.418 9.298 -20.040 1.00 0.00 H ATOM 827 HB3 ASP A 52 2.575 8.389 -21.040 1.00 0.00 H ATOM 828 H ASP A 52 3.027 8.271 -18.257 1.00 0.00 H ATOM 829 N PRO A 53 1.949 4.802 -20.064 1.00 0.39 N ATOM 830 CA PRO A 53 2.739 3.669 -20.564 1.00 0.44 C ATOM 831 C PRO A 53 3.110 3.884 -22.033 1.00 0.45 C ATOM 832 O PRO A 53 3.803 3.083 -22.629 1.00 0.57 O ATOM 833 CB PRO A 53 1.839 2.438 -20.405 1.00 0.58 C ATOM 834 CG PRO A 53 0.523 2.912 -19.720 1.00 0.63 C ATOM 835 CD PRO A 53 0.601 4.442 -19.576 1.00 0.50 C ATOM 836 HA PRO A 53 3.675 3.554 -20.017 1.00 0.00 H ATOM 837 HD3 PRO A 53 -0.167 4.924 -20.180 1.00 0.00 H ATOM 838 HD2 PRO A 53 0.479 4.736 -18.534 1.00 0.00 H ATOM 839 HG3 PRO A 53 0.427 2.450 -18.737 1.00 0.00 H ATOM 840 HG2 PRO A 53 -0.335 2.639 -20.334 1.00 0.00 H ATOM 841 HB2 PRO A 53 1.618 2.009 -21.382 1.00 0.00 H ATOM 842 HB3 PRO A 53 2.334 1.691 -19.785 1.00 0.00 H ATOM 843 N LYS A 54 2.635 4.968 -22.585 1.00 0.39 N ATOM 844 CA LYS A 54 2.943 5.264 -24.003 1.00 0.44 C ATOM 845 C LYS A 54 4.370 5.809 -24.136 1.00 0.44 C ATOM 846 O LYS A 54 4.893 5.915 -25.227 1.00 0.50 O ATOM 847 CB LYS A 54 1.950 6.303 -24.521 1.00 0.48 C ATOM 848 CG LYS A 54 1.985 6.318 -26.050 1.00 0.95 C ATOM 849 CD LYS A 54 0.933 7.303 -26.566 1.00 1.29 C ATOM 850 CE LYS A 54 0.945 7.294 -28.096 1.00 1.92 C ATOM 851 NZ LYS A 54 -0.228 6.537 -28.620 1.00 2.78 N ATOM 852 HA LYS A 54 2.863 4.347 -24.587 1.00 0.00 H ATOM 853 HB2 LYS A 54 0.946 6.048 -24.182 1.00 0.00 H ATOM 854 HB3 LYS A 54 2.221 7.288 -24.141 1.00 0.00 H ATOM 855 HG2 LYS A 54 2.973 6.628 -26.390 1.00 0.00 H ATOM 856 HG3 LYS A 54 1.768 5.320 -26.430 1.00 0.00 H ATOM 857 HD2 LYS A 54 -0.052 7.006 -26.207 1.00 0.00 H ATOM 858 HD3 LYS A 54 1.163 8.305 -26.205 1.00 0.00 H ATOM 859 HE2 LYS A 54 1.863 6.822 -28.446 1.00 0.00 H ATOM 860 HE3 LYS A 54 0.904 8.320 -28.462 1.00 0.00 H ATOM 861 HZ1 LYS A 54 -0.189 5.557 -28.274 1.00 0.00 H ATOM 862 HZ2 LYS A 54 -1.105 6.988 -28.290 1.00 0.00 H ATOM 863 HZ3 LYS A 54 -0.205 6.540 -29.660 1.00 0.00 H ATOM 864 H LYS A 54 2.043 5.620 -22.032 1.00 0.00 H ATOM 865 N GLU A 55 4.970 6.142 -23.017 1.00 0.39 N ATOM 866 CA GLU A 55 6.364 6.685 -23.064 1.00 0.40 C ATOM 867 C GLU A 55 7.370 5.594 -22.684 1.00 0.40 C ATOM 868 O GLU A 55 7.149 4.835 -21.762 1.00 0.39 O ATOM 869 CB GLU A 55 6.484 7.855 -22.091 1.00 0.38 C ATOM 870 CG GLU A 55 5.388 8.879 -22.392 1.00 0.41 C ATOM 871 CD GLU A 55 6.033 10.214 -22.772 1.00 0.97 C ATOM 872 OE1 GLU A 55 6.820 10.188 -23.705 1.00 1.65 O ATOM 873 OE2 GLU A 55 5.705 11.183 -22.108 1.00 1.43 O ATOM 874 HA GLU A 55 6.580 7.026 -24.077 1.00 0.00 H ATOM 875 HB2 GLU A 55 6.373 7.492 -21.069 1.00 0.00 H ATOM 876 HB3 GLU A 55 7.461 8.324 -22.204 1.00 0.00 H ATOM 877 HG2 GLU A 55 4.774 8.523 -23.219 1.00 0.00 H ATOM 878 HG3 GLU A 55 4.763 9.014 -21.509 1.00 0.00 H ATOM 879 H GLU A 55 4.481 6.030 -22.106 1.00 0.00 H ATOM 880 N ASN A 56 8.458 5.550 -23.398 1.00 0.44 N ATOM 881 CA ASN A 56 9.485 4.508 -23.105 1.00 0.45 C ATOM 882 C ASN A 56 10.122 4.729 -21.728 1.00 0.42 C ATOM 883 O ASN A 56 10.365 3.784 -21.004 1.00 0.42 O ATOM 884 CB ASN A 56 10.570 4.565 -24.179 1.00 0.50 C ATOM 885 CG ASN A 56 10.235 3.569 -25.291 1.00 1.15 C ATOM 886 OD1 ASN A 56 9.102 3.163 -25.456 1.00 1.86 O ATOM 887 ND2 ASN A 56 11.190 3.152 -26.075 1.00 1.95 N ATOM 888 HA ASN A 56 9.000 3.532 -23.104 1.00 0.00 H ATOM 889 HB2 ASN A 56 10.619 5.572 -24.594 1.00 0.00 H ATOM 890 HB3 ASN A 56 11.533 4.308 -23.738 1.00 0.00 H ATOM 891 HD22 ASN A 56 12.162 3.496 -25.939 1.00 0.00 H ATOM 892 HD21 ASN A 56 10.980 2.476 -26.836 1.00 0.00 H ATOM 893 H ASN A 56 8.610 6.235 -24.166 1.00 0.00 H ATOM 894 N TRP A 57 10.382 5.965 -21.387 1.00 0.41 N ATOM 895 CA TRP A 57 11.016 6.220 -20.059 1.00 0.39 C ATOM 896 C TRP A 57 10.093 5.764 -18.928 1.00 0.35 C ATOM 897 O TRP A 57 10.540 5.516 -17.829 1.00 0.36 O ATOM 898 CB TRP A 57 11.345 7.710 -19.901 1.00 0.39 C ATOM 899 CG TRP A 57 10.073 8.565 -20.001 1.00 0.37 C ATOM 900 CD1 TRP A 57 9.665 9.166 -21.116 1.00 0.40 C ATOM 901 CD2 TRP A 57 9.267 8.855 -18.991 1.00 0.34 C ATOM 902 NE1 TRP A 57 8.570 9.841 -20.734 1.00 0.38 N ATOM 903 CE2 TRP A 57 8.249 9.699 -19.405 1.00 0.35 C ATOM 904 CE3 TRP A 57 9.318 8.445 -17.670 1.00 0.32 C ATOM 905 CZ2 TRP A 57 7.293 10.129 -18.507 1.00 0.34 C ATOM 906 CZ3 TRP A 57 8.357 8.877 -16.774 1.00 0.30 C ATOM 907 CH2 TRP A 57 7.346 9.718 -17.192 1.00 0.32 C ATOM 908 HA TRP A 57 11.942 5.648 -20.006 1.00 0.00 H ATOM 909 HB2 TRP A 57 11.809 7.872 -18.928 1.00 0.00 H ATOM 910 HB3 TRP A 57 12.039 8.008 -20.687 1.00 0.00 H ATOM 911 HE1 TRP A 57 8.010 10.423 -21.389 1.00 0.00 H ATOM 912 HD1 TRP A 57 10.115 9.121 -22.108 1.00 0.00 H ATOM 913 HZ2 TRP A 57 6.495 10.794 -18.838 1.00 0.00 H ATOM 914 HH2 TRP A 57 6.590 10.057 -16.483 1.00 0.00 H ATOM 915 HZ3 TRP A 57 8.398 8.552 -15.734 1.00 0.00 H ATOM 916 HE3 TRP A 57 10.116 7.782 -17.336 1.00 0.00 H ATOM 917 H TRP A 57 10.152 6.752 -22.026 1.00 0.00 H ATOM 918 N VAL A 58 8.826 5.655 -19.213 1.00 0.34 N ATOM 919 CA VAL A 58 7.889 5.206 -18.144 1.00 0.31 C ATOM 920 C VAL A 58 8.043 3.705 -17.934 1.00 0.32 C ATOM 921 O VAL A 58 8.016 3.221 -16.819 1.00 0.31 O ATOM 922 CB VAL A 58 6.451 5.520 -18.564 1.00 0.31 C ATOM 923 CG1 VAL A 58 5.489 4.604 -17.811 1.00 0.30 C ATOM 924 CG2 VAL A 58 6.134 6.974 -18.224 1.00 0.31 C ATOM 925 HA VAL A 58 8.117 5.727 -17.215 1.00 0.00 H ATOM 926 HB VAL A 58 6.341 5.360 -19.637 1.00 0.00 H ATOM 927 HG11 VAL A 58 5.719 3.565 -18.047 1.00 0.00 H ATOM 928 HG12 VAL A 58 5.599 4.767 -16.739 1.00 0.00 H ATOM 929 HG13 VAL A 58 4.465 4.829 -18.111 1.00 0.00 H ATOM 930 HG21 VAL A 58 6.244 7.127 -17.150 1.00 0.00 H ATOM 931 HG22 VAL A 58 6.823 7.629 -18.758 1.00 0.00 H ATOM 932 HG23 VAL A 58 5.110 7.201 -18.522 1.00 0.00 H ATOM 933 H VAL A 58 8.476 5.877 -20.167 1.00 0.00 H ATOM 934 N GLN A 59 8.204 3.001 -19.013 1.00 0.36 N ATOM 935 CA GLN A 59 8.373 1.532 -18.903 1.00 0.38 C ATOM 936 C GLN A 59 9.714 1.217 -18.235 1.00 0.38 C ATOM 937 O GLN A 59 9.913 0.144 -17.712 1.00 0.40 O ATOM 938 CB GLN A 59 8.352 0.925 -20.306 1.00 0.42 C ATOM 939 CG GLN A 59 8.011 -0.561 -20.206 1.00 0.45 C ATOM 940 CD GLN A 59 7.970 -1.166 -21.610 1.00 1.23 C ATOM 941 OE1 GLN A 59 8.451 -0.585 -22.563 1.00 1.92 O ATOM 942 NE2 GLN A 59 7.405 -2.329 -21.783 1.00 2.03 N ATOM 943 HA GLN A 59 7.565 1.113 -18.303 1.00 0.00 H ATOM 944 HB2 GLN A 59 7.601 1.432 -20.912 1.00 0.00 H ATOM 945 HB3 GLN A 59 9.331 1.044 -20.770 1.00 0.00 H ATOM 946 HG2 GLN A 59 8.770 -1.070 -19.612 1.00 0.00 H ATOM 947 HG3 GLN A 59 7.038 -0.680 -19.729 1.00 0.00 H ATOM 948 HE22 GLN A 59 6.991 -2.832 -20.972 1.00 0.00 H ATOM 949 HE21 GLN A 59 7.368 -2.753 -22.732 1.00 0.00 H ATOM 950 H GLN A 59 8.214 3.463 -19.945 1.00 0.00 H ATOM 951 N ARG A 60 10.601 2.176 -18.256 1.00 0.38 N ATOM 952 CA ARG A 60 11.943 1.949 -17.645 1.00 0.39 C ATOM 953 C ARG A 60 11.938 2.289 -16.147 1.00 0.36 C ATOM 954 O ARG A 60 12.221 1.443 -15.323 1.00 0.38 O ATOM 955 CB ARG A 60 12.966 2.829 -18.359 1.00 0.41 C ATOM 956 CG ARG A 60 14.171 1.978 -18.762 1.00 0.86 C ATOM 957 CD ARG A 60 15.197 2.863 -19.471 1.00 1.03 C ATOM 958 NE ARG A 60 16.544 2.242 -19.339 1.00 1.78 N ATOM 959 CZ ARG A 60 17.312 2.153 -20.389 1.00 2.17 C ATOM 960 NH1 ARG A 60 17.395 3.171 -21.201 1.00 2.50 N ATOM 961 NH2 ARG A 60 17.973 1.046 -20.592 1.00 2.82 N ATOM 962 HA ARG A 60 12.201 0.896 -17.754 1.00 0.00 H ATOM 963 HB2 ARG A 60 12.513 3.265 -19.250 1.00 0.00 H ATOM 964 HB3 ARG A 60 13.290 3.627 -17.691 1.00 0.00 H ATOM 965 HG2 ARG A 60 14.621 1.538 -17.872 1.00 0.00 H ATOM 966 HG3 ARG A 60 13.848 1.183 -19.434 1.00 0.00 H ATOM 967 HD2 ARG A 60 15.204 3.853 -19.015 1.00 0.00 H ATOM 968 HD3 ARG A 60 14.937 2.952 -20.526 1.00 0.00 H ATOM 969 HE ARG A 60 16.869 1.883 -18.419 1.00 0.00 H ATOM 970 HH12 ARG A 60 18.003 3.116 -22.043 1.00 0.00 H ATOM 971 HH11 ARG A 60 16.853 4.037 -21.006 1.00 0.00 H ATOM 972 HH22 ARG A 60 18.591 0.954 -21.423 1.00 0.00 H ATOM 973 HH21 ARG A 60 17.882 0.256 -19.922 1.00 0.00 H ATOM 974 H ARG A 60 10.373 3.091 -18.695 1.00 0.00 H ATOM 975 N VAL A 61 11.619 3.517 -15.820 1.00 0.32 N ATOM 976 CA VAL A 61 11.617 3.897 -14.383 1.00 0.29 C ATOM 977 C VAL A 61 10.664 2.977 -13.614 1.00 0.27 C ATOM 978 O VAL A 61 10.893 2.659 -12.462 1.00 0.26 O ATOM 979 CB VAL A 61 11.179 5.358 -14.255 1.00 0.28 C ATOM 980 CG1 VAL A 61 12.090 6.233 -15.125 1.00 0.36 C ATOM 981 CG2 VAL A 61 9.729 5.491 -14.728 1.00 0.33 C ATOM 982 HA VAL A 61 12.617 3.789 -13.963 1.00 0.00 H ATOM 983 HB VAL A 61 11.252 5.680 -13.216 1.00 0.00 H ATOM 984 HG11 VAL A 61 13.122 6.128 -14.789 1.00 0.00 H ATOM 985 HG12 VAL A 61 12.011 5.916 -16.165 1.00 0.00 H ATOM 986 HG13 VAL A 61 11.782 7.275 -15.037 1.00 0.00 H ATOM 987 HG21 VAL A 61 9.658 5.177 -15.769 1.00 0.00 H ATOM 988 HG22 VAL A 61 9.088 4.861 -14.112 1.00 0.00 H ATOM 989 HG23 VAL A 61 9.413 6.530 -14.639 1.00 0.00 H ATOM 990 H VAL A 61 11.372 4.213 -16.552 1.00 0.00 H ATOM 991 N VAL A 62 9.618 2.559 -14.271 1.00 0.28 N ATOM 992 CA VAL A 62 8.657 1.642 -13.600 1.00 0.28 C ATOM 993 C VAL A 62 9.268 0.241 -13.516 1.00 0.30 C ATOM 994 O VAL A 62 9.135 -0.439 -12.519 1.00 0.29 O ATOM 995 CB VAL A 62 7.359 1.591 -14.405 1.00 0.30 C ATOM 996 CG1 VAL A 62 6.445 0.513 -13.820 1.00 0.31 C ATOM 997 CG2 VAL A 62 6.656 2.948 -14.314 1.00 0.31 C ATOM 998 HA VAL A 62 8.444 2.004 -12.594 1.00 0.00 H ATOM 999 HB VAL A 62 7.582 1.360 -15.447 1.00 0.00 H ATOM 1000 HG11 VAL A 62 6.946 -0.454 -13.872 1.00 0.00 H ATOM 1001 HG12 VAL A 62 6.222 0.753 -12.780 1.00 0.00 H ATOM 1002 HG13 VAL A 62 5.518 0.474 -14.392 1.00 0.00 H ATOM 1003 HG21 VAL A 62 6.431 3.170 -13.271 1.00 0.00 H ATOM 1004 HG22 VAL A 62 7.308 3.722 -14.719 1.00 0.00 H ATOM 1005 HG23 VAL A 62 5.730 2.915 -14.887 1.00 0.00 H ATOM 1006 H VAL A 62 9.457 2.863 -15.253 1.00 0.00 H ATOM 1007 N GLU A 63 9.928 -0.159 -14.574 1.00 0.33 N ATOM 1008 CA GLU A 63 10.567 -1.508 -14.568 1.00 0.36 C ATOM 1009 C GLU A 63 11.592 -1.590 -13.439 1.00 0.33 C ATOM 1010 O GLU A 63 11.691 -2.591 -12.759 1.00 0.35 O ATOM 1011 CB GLU A 63 11.272 -1.739 -15.905 1.00 0.41 C ATOM 1012 CG GLU A 63 12.107 -3.017 -15.814 1.00 0.50 C ATOM 1013 CD GLU A 63 12.260 -3.621 -17.211 1.00 1.25 C ATOM 1014 OE1 GLU A 63 13.115 -3.121 -17.925 1.00 1.92 O ATOM 1015 OE2 GLU A 63 11.513 -4.545 -17.487 1.00 1.89 O ATOM 1016 HA GLU A 63 9.801 -2.268 -14.417 1.00 0.00 H ATOM 1017 HB2 GLU A 63 10.530 -1.843 -16.697 1.00 0.00 H ATOM 1018 HB3 GLU A 63 11.922 -0.893 -16.127 1.00 0.00 H ATOM 1019 HG2 GLU A 63 13.091 -2.781 -15.409 1.00 0.00 H ATOM 1020 HG3 GLU A 63 11.608 -3.732 -15.160 1.00 0.00 H ATOM 1021 H GLU A 63 10.006 0.456 -15.409 1.00 0.00 H ATOM 1022 N LYS A 64 12.335 -0.530 -13.262 1.00 0.31 N ATOM 1023 CA LYS A 64 13.356 -0.535 -12.182 1.00 0.31 C ATOM 1024 C LYS A 64 12.675 -0.692 -10.820 1.00 0.27 C ATOM 1025 O LYS A 64 13.148 -1.420 -9.971 1.00 0.28 O ATOM 1026 CB LYS A 64 14.139 0.776 -12.221 1.00 0.32 C ATOM 1027 CG LYS A 64 15.461 0.546 -12.959 1.00 0.47 C ATOM 1028 CD LYS A 64 16.224 1.868 -13.053 1.00 1.04 C ATOM 1029 CE LYS A 64 17.502 1.649 -13.864 1.00 1.37 C ATOM 1030 NZ LYS A 64 18.568 2.593 -13.424 1.00 1.84 N ATOM 1031 HA LYS A 64 14.038 -1.371 -12.334 1.00 0.00 H ATOM 1032 HB2 LYS A 64 13.556 1.535 -12.743 1.00 0.00 H ATOM 1033 HB3 LYS A 64 14.342 1.111 -11.204 1.00 0.00 H ATOM 1034 HG2 LYS A 64 16.061 -0.183 -12.414 1.00 0.00 H ATOM 1035 HG3 LYS A 64 15.258 0.170 -13.962 1.00 0.00 H ATOM 1036 HD2 LYS A 64 15.602 2.615 -13.546 1.00 0.00 H ATOM 1037 HD3 LYS A 64 16.481 2.214 -12.052 1.00 0.00 H ATOM 1038 HE2 LYS A 64 17.290 1.814 -14.920 1.00 0.00 H ATOM 1039 HE3 LYS A 64 17.847 0.625 -13.720 1.00 0.00 H ATOM 1040 HZ1 LYS A 64 18.242 3.571 -13.563 1.00 0.00 H ATOM 1041 HZ2 LYS A 64 18.775 2.435 -12.417 1.00 0.00 H ATOM 1042 HZ3 LYS A 64 19.428 2.429 -13.986 1.00 0.00 H ATOM 1043 H LYS A 64 12.214 0.306 -13.869 1.00 0.00 H ATOM 1044 N PHE A 65 11.575 -0.008 -10.638 1.00 0.24 N ATOM 1045 CA PHE A 65 10.860 -0.127 -9.335 1.00 0.21 C ATOM 1046 C PHE A 65 10.550 -1.595 -9.037 1.00 0.24 C ATOM 1047 O PHE A 65 10.740 -2.059 -7.931 1.00 0.25 O ATOM 1048 CB PHE A 65 9.559 0.653 -9.389 1.00 0.19 C ATOM 1049 CG PHE A 65 8.813 0.452 -8.066 1.00 0.17 C ATOM 1050 CD1 PHE A 65 9.286 1.029 -6.899 1.00 0.18 C ATOM 1051 CD2 PHE A 65 7.659 -0.311 -8.016 1.00 0.19 C ATOM 1052 CE1 PHE A 65 8.615 0.844 -5.706 1.00 0.18 C ATOM 1053 CE2 PHE A 65 6.991 -0.495 -6.820 1.00 0.19 C ATOM 1054 CZ PHE A 65 7.470 0.081 -5.668 1.00 0.17 C ATOM 1055 HA PHE A 65 11.498 0.276 -8.549 1.00 0.00 H ATOM 1056 HB2 PHE A 65 9.771 1.712 -9.534 1.00 0.00 H ATOM 1057 HB3 PHE A 65 8.947 0.290 -10.215 1.00 0.00 H ATOM 1058 HD2 PHE A 65 7.274 -0.770 -8.927 1.00 0.00 H ATOM 1059 HE2 PHE A 65 6.083 -1.098 -6.791 1.00 0.00 H ATOM 1060 HZ PHE A 65 6.944 -0.066 -4.725 1.00 0.00 H ATOM 1061 HE1 PHE A 65 8.993 1.303 -4.793 1.00 0.00 H ATOM 1062 HD1 PHE A 65 10.193 1.633 -6.922 1.00 0.00 H ATOM 1063 H PHE A 65 11.205 0.609 -11.390 1.00 0.00 H ATOM 1064 N LEU A 66 10.076 -2.297 -10.032 1.00 0.29 N ATOM 1065 CA LEU A 66 9.746 -3.737 -9.822 1.00 0.35 C ATOM 1066 C LEU A 66 11.021 -4.538 -9.540 1.00 0.35 C ATOM 1067 O LEU A 66 11.053 -5.369 -8.654 1.00 0.37 O ATOM 1068 CB LEU A 66 9.067 -4.281 -11.078 1.00 0.44 C ATOM 1069 CG LEU A 66 7.558 -4.059 -10.971 1.00 0.61 C ATOM 1070 CD1 LEU A 66 6.960 -3.981 -12.377 1.00 1.12 C ATOM 1071 CD2 LEU A 66 6.926 -5.234 -10.221 1.00 0.77 C ATOM 1072 HA LEU A 66 9.077 -3.832 -8.967 1.00 0.00 H ATOM 1073 HB2 LEU A 66 9.451 -3.760 -11.955 1.00 0.00 H ATOM 1074 HB3 LEU A 66 9.273 -5.347 -11.171 1.00 0.00 H ATOM 1075 HG LEU A 66 7.361 -3.131 -10.434 1.00 0.00 H ATOM 1076 HD21 LEU A 66 7.122 -6.158 -10.765 1.00 0.00 H ATOM 1077 HD22 LEU A 66 7.358 -5.300 -9.222 1.00 0.00 H ATOM 1078 HD23 LEU A 66 5.850 -5.078 -10.144 1.00 0.00 H ATOM 1079 HD11 LEU A 66 7.415 -3.152 -12.918 1.00 0.00 H ATOM 1080 HD12 LEU A 66 7.157 -4.913 -12.906 1.00 0.00 H ATOM 1081 HD13 LEU A 66 5.884 -3.823 -12.305 1.00 0.00 H ATOM 1082 H LEU A 66 9.930 -1.856 -10.962 1.00 0.00 H ATOM 1083 N LYS A 67 12.047 -4.273 -10.303 1.00 0.38 N ATOM 1084 CA LYS A 67 13.326 -5.010 -10.092 1.00 0.42 C ATOM 1085 C LYS A 67 13.946 -4.620 -8.746 1.00 0.39 C ATOM 1086 O LYS A 67 14.688 -5.382 -8.157 1.00 0.44 O ATOM 1087 CB LYS A 67 14.295 -4.661 -11.220 1.00 0.48 C ATOM 1088 CG LYS A 67 15.085 -5.913 -11.608 1.00 0.95 C ATOM 1089 CD LYS A 67 16.312 -5.497 -12.421 1.00 1.34 C ATOM 1090 CE LYS A 67 17.121 -6.741 -12.767 1.00 1.63 C ATOM 1091 NZ LYS A 67 18.182 -6.435 -13.767 1.00 2.28 N ATOM 1092 HA LYS A 67 13.127 -6.082 -10.090 1.00 0.00 H ATOM 1093 HB2 LYS A 67 13.736 -4.300 -12.083 1.00 0.00 H ATOM 1094 HB3 LYS A 67 14.983 -3.885 -10.884 1.00 0.00 H ATOM 1095 HG2 LYS A 67 15.404 -6.438 -10.707 1.00 0.00 H ATOM 1096 HG3 LYS A 67 14.456 -6.571 -12.207 1.00 0.00 H ATOM 1097 HD2 LYS A 67 15.993 -5.001 -13.338 1.00 0.00 H ATOM 1098 HD3 LYS A 67 16.925 -4.813 -11.834 1.00 0.00 H ATOM 1099 HE2 LYS A 67 16.452 -7.497 -13.178 1.00 0.00 H ATOM 1100 HE3 LYS A 67 17.588 -7.125 -11.860 1.00 0.00 H ATOM 1101 HZ1 LYS A 67 17.742 -6.073 -14.637 1.00 0.00 H ATOM 1102 HZ2 LYS A 67 18.827 -5.718 -13.378 1.00 0.00 H ATOM 1103 HZ3 LYS A 67 18.715 -7.302 -13.982 1.00 0.00 H ATOM 1104 H LYS A 67 11.973 -3.554 -11.051 1.00 0.00 H ATOM 1105 N ARG A 68 13.628 -3.438 -8.289 1.00 0.34 N ATOM 1106 CA ARG A 68 14.190 -2.982 -6.984 1.00 0.35 C ATOM 1107 C ARG A 68 13.362 -3.543 -5.823 1.00 0.34 C ATOM 1108 O ARG A 68 13.904 -4.022 -4.847 1.00 0.39 O ATOM 1109 CB ARG A 68 14.162 -1.456 -6.937 1.00 0.35 C ATOM 1110 CG ARG A 68 14.693 -0.985 -5.582 1.00 0.43 C ATOM 1111 CD ARG A 68 15.614 0.218 -5.792 1.00 0.98 C ATOM 1112 NE ARG A 68 15.810 0.911 -4.487 1.00 1.58 N ATOM 1113 CZ ARG A 68 16.879 1.635 -4.299 1.00 2.23 C ATOM 1114 NH1 ARG A 68 17.681 1.848 -5.307 1.00 2.78 N ATOM 1115 NH2 ARG A 68 17.111 2.122 -3.111 1.00 2.91 N ATOM 1116 HA ARG A 68 15.215 -3.341 -6.890 1.00 0.00 H ATOM 1117 HB2 ARG A 68 14.788 -1.055 -7.734 1.00 0.00 H ATOM 1118 HB3 ARG A 68 13.138 -1.106 -7.070 1.00 0.00 H ATOM 1119 HG2 ARG A 68 13.858 -0.698 -4.943 1.00 0.00 H ATOM 1120 HG3 ARG A 68 15.251 -1.793 -5.108 1.00 0.00 H ATOM 1121 HD2 ARG A 68 15.161 0.905 -6.507 1.00 0.00 H ATOM 1122 HD3 ARG A 68 16.577 -0.121 -6.175 1.00 0.00 H ATOM 1123 HE ARG A 68 15.100 0.818 -3.732 1.00 0.00 H ATOM 1124 HH12 ARG A 68 18.538 2.423 -5.177 1.00 0.00 H ATOM 1125 HH11 ARG A 68 17.463 1.443 -6.240 1.00 0.00 H ATOM 1126 HH22 ARG A 68 17.958 2.701 -2.943 1.00 0.00 H ATOM 1127 HH21 ARG A 68 16.449 1.931 -2.332 1.00 0.00 H ATOM 1128 H ARG A 68 12.989 -2.821 -8.830 1.00 0.00 H ATOM 1129 N ALA A 69 12.065 -3.473 -5.953 1.00 0.30 N ATOM 1130 CA ALA A 69 11.190 -4.000 -4.864 1.00 0.32 C ATOM 1131 C ALA A 69 11.287 -5.529 -4.807 1.00 0.38 C ATOM 1132 O ALA A 69 11.017 -6.132 -3.787 1.00 0.42 O ATOM 1133 CB ALA A 69 9.743 -3.588 -5.139 1.00 0.29 C ATOM 1134 HA ALA A 69 11.515 -3.589 -3.908 1.00 0.00 H ATOM 1135 HB1 ALA A 69 9.676 -2.501 -5.170 1.00 0.00 H ATOM 1136 HB2 ALA A 69 9.425 -4.000 -6.097 1.00 0.00 H ATOM 1137 HB3 ALA A 69 9.101 -3.971 -4.346 1.00 0.00 H ATOM 1138 H ALA A 69 11.645 -3.054 -6.807 1.00 0.00 H ATOM 1139 N GLU A 70 11.672 -6.119 -5.905 1.00 0.42 N ATOM 1140 CA GLU A 70 11.794 -7.605 -5.934 1.00 0.50 C ATOM 1141 C GLU A 70 13.146 -8.033 -5.353 1.00 0.54 C ATOM 1142 O GLU A 70 13.230 -8.988 -4.606 1.00 0.60 O ATOM 1143 CB GLU A 70 11.683 -8.089 -7.379 1.00 0.52 C ATOM 1144 CG GLU A 70 11.744 -9.619 -7.405 1.00 0.66 C ATOM 1145 CD GLU A 70 11.499 -10.112 -8.831 1.00 1.17 C ATOM 1146 OE1 GLU A 70 10.338 -10.124 -9.208 1.00 1.85 O ATOM 1147 OE2 GLU A 70 12.486 -10.449 -9.465 1.00 1.85 O ATOM 1148 HA GLU A 70 10.996 -8.044 -5.334 1.00 0.00 H ATOM 1149 HB2 GLU A 70 10.737 -7.755 -7.804 1.00 0.00 H ATOM 1150 HB3 GLU A 70 12.507 -7.681 -7.964 1.00 0.00 H ATOM 1151 HG2 GLU A 70 12.727 -9.950 -7.069 1.00 0.00 H ATOM 1152 HG3 GLU A 70 10.979 -10.025 -6.743 1.00 0.00 H ATOM 1153 H GLU A 70 11.892 -5.558 -6.753 1.00 0.00 H ATOM 1154 N ASN A 71 14.176 -7.316 -5.711 1.00 0.54 N ATOM 1155 CA ASN A 71 15.529 -7.664 -5.189 1.00 0.61 C ATOM 1156 C ASN A 71 15.617 -7.350 -3.692 1.00 0.65 C ATOM 1157 O ASN A 71 16.381 -7.958 -2.971 1.00 0.80 O ATOM 1158 CB ASN A 71 16.580 -6.851 -5.943 1.00 0.66 C ATOM 1159 CG ASN A 71 17.922 -6.964 -5.220 1.00 0.78 C ATOM 1160 OD1 ASN A 71 18.147 -6.335 -4.206 1.00 1.20 O ATOM 1161 ND2 ASN A 71 18.839 -7.752 -5.708 1.00 1.42 N ATOM 1162 HA ASN A 71 15.707 -8.729 -5.336 1.00 0.00 H ATOM 1163 HB2 ASN A 71 16.679 -7.236 -6.958 1.00 0.00 H ATOM 1164 HB3 ASN A 71 16.274 -5.806 -5.981 1.00 0.00 H ATOM 1165 HD22 ASN A 71 18.651 -8.293 -6.576 1.00 0.00 H ATOM 1166 HD21 ASN A 71 19.758 -7.840 -5.229 1.00 0.00 H ATOM 1167 H ASN A 71 14.054 -6.509 -6.355 1.00 0.00 H ATOM 1168 N SER A 72 14.830 -6.403 -3.260 1.00 0.57 N ATOM 1169 CA SER A 72 14.854 -6.035 -1.813 1.00 0.64 C ATOM 1170 C SER A 72 14.501 -7.253 -0.952 1.00 0.84 C ATOM 1171 O SER A 72 14.209 -7.028 0.210 1.00 1.43 O ATOM 1172 CB SER A 72 13.836 -4.923 -1.564 1.00 0.65 C ATOM 1173 OG SER A 72 14.464 -4.088 -0.602 1.00 1.32 O ATOM 1174 HA SER A 72 15.853 -5.692 -1.545 1.00 0.00 H ATOM 1175 OXT SER A 72 14.544 -8.338 -1.508 1.00 1.42 O ATOM 1176 HB2 SER A 72 12.904 -5.331 -1.173 1.00 0.00 H ATOM 1177 HB3 SER A 72 13.633 -4.371 -2.482 1.00 0.00 H ATOM 1178 HG SER A 72 14.651 -4.612 0.217 1.00 0.00 H ATOM 1179 H SER A 72 14.192 -5.909 -3.917 1.00 0.00 H TER 1180 SER A 72 ATOM 1181 N ALA B 2 7.267 7.214 15.993 1.00 5.91 N ATOM 1182 CA ALA B 2 8.397 6.283 15.708 1.00 5.70 C ATOM 1183 C ALA B 2 8.542 5.288 16.863 1.00 5.15 C ATOM 1184 O ALA B 2 9.464 5.382 17.650 1.00 5.42 O ATOM 1185 CB ALA B 2 9.703 7.057 15.543 1.00 6.12 C ATOM 1186 HA ALA B 2 8.184 5.750 14.781 1.00 0.00 H ATOM 1187 HB1 ALA B 2 9.606 7.759 14.715 1.00 0.00 H ATOM 1188 HB2 ALA B 2 9.918 7.604 16.461 1.00 0.00 H ATOM 1189 HB3 ALA B 2 10.514 6.359 15.336 1.00 0.00 H ATOM 1190 HN3 ALA B 2 7.459 7.731 16.875 1.00 0.00 H ATOM 1191 HN2 ALA B 2 6.387 6.669 16.094 1.00 0.00 H ATOM 1192 HN1 ALA B 2 7.169 7.889 15.208 1.00 0.00 H ATOM 1193 N LYS B 3 7.624 4.357 16.936 1.00 4.74 N ATOM 1194 CA LYS B 3 7.680 3.337 18.031 1.00 4.44 C ATOM 1195 C LYS B 3 7.523 1.929 17.447 1.00 3.72 C ATOM 1196 O LYS B 3 8.441 1.133 17.483 1.00 3.93 O ATOM 1197 CB LYS B 3 6.551 3.602 19.038 1.00 5.01 C ATOM 1198 CG LYS B 3 5.968 5.009 18.811 1.00 5.72 C ATOM 1199 CD LYS B 3 5.127 5.030 17.525 1.00 6.38 C ATOM 1200 CE LYS B 3 3.693 5.440 17.869 1.00 7.00 C ATOM 1201 NZ LYS B 3 3.115 4.514 18.885 1.00 7.41 N ATOM 1202 HA LYS B 3 8.644 3.409 18.534 1.00 0.00 H ATOM 1203 HB2 LYS B 3 5.765 2.859 18.905 1.00 0.00 H ATOM 1204 HB3 LYS B 3 6.946 3.533 20.051 1.00 0.00 H ATOM 1205 HG2 LYS B 3 5.338 5.280 19.659 1.00 0.00 H ATOM 1206 HG3 LYS B 3 6.783 5.727 18.721 1.00 0.00 H ATOM 1207 HD2 LYS B 3 5.553 5.746 16.822 1.00 0.00 H ATOM 1208 HD3 LYS B 3 5.125 4.038 17.074 1.00 0.00 H ATOM 1209 HE2 LYS B 3 3.084 5.408 16.966 1.00 0.00 H ATOM 1210 HE3 LYS B 3 3.695 6.454 18.268 1.00 0.00 H ATOM 1211 HZ1 LYS B 3 3.109 3.546 18.506 1.00 0.00 H ATOM 1212 HZ2 LYS B 3 3.693 4.545 19.749 1.00 0.00 H ATOM 1213 HZ3 LYS B 3 2.142 4.808 19.106 1.00 0.00 H ATOM 1214 H LYS B 3 6.857 4.326 16.234 1.00 0.00 H ATOM 1215 N GLU B 4 6.361 1.651 16.919 1.00 3.22 N ATOM 1216 CA GLU B 4 6.126 0.300 16.329 1.00 2.71 C ATOM 1217 C GLU B 4 5.234 0.413 15.087 1.00 2.35 C ATOM 1218 O GLU B 4 4.152 0.963 15.148 1.00 2.67 O ATOM 1219 CB GLU B 4 5.444 -0.588 17.367 1.00 3.04 C ATOM 1220 CG GLU B 4 6.232 -0.524 18.675 1.00 3.68 C ATOM 1221 CD GLU B 4 5.744 -1.629 19.615 1.00 4.08 C ATOM 1222 OE1 GLU B 4 4.880 -2.370 19.179 1.00 4.41 O ATOM 1223 OE2 GLU B 4 6.265 -1.670 20.717 1.00 4.37 O ATOM 1224 HA GLU B 4 7.082 -0.136 16.038 1.00 0.00 H ATOM 1225 HB2 GLU B 4 4.426 -0.237 17.536 1.00 0.00 H ATOM 1226 HB3 GLU B 4 5.417 -1.616 17.007 1.00 0.00 H ATOM 1227 HG2 GLU B 4 7.293 -0.664 18.468 1.00 0.00 H ATOM 1228 HG3 GLU B 4 6.080 0.448 19.145 1.00 0.00 H ATOM 1229 H GLU B 4 5.605 2.365 16.910 1.00 0.00 H ATOM 1230 N LEU B 5 5.713 -0.114 13.989 1.00 2.28 N ATOM 1231 CA LEU B 5 4.914 -0.056 12.723 1.00 2.32 C ATOM 1232 C LEU B 5 4.882 -1.438 12.064 1.00 1.52 C ATOM 1233 O LEU B 5 5.905 -2.073 11.904 1.00 1.69 O ATOM 1234 CB LEU B 5 5.560 0.947 11.771 1.00 3.39 C ATOM 1235 CG LEU B 5 5.388 2.361 12.330 1.00 4.32 C ATOM 1236 CD1 LEU B 5 6.755 3.045 12.396 1.00 5.10 C ATOM 1237 CD2 LEU B 5 4.469 3.160 11.404 1.00 5.08 C ATOM 1238 HA LEU B 5 3.894 0.254 12.951 1.00 0.00 H ATOM 1239 HB2 LEU B 5 6.622 0.722 11.671 1.00 0.00 H ATOM 1240 HB3 LEU B 5 5.082 0.881 10.794 1.00 0.00 H ATOM 1241 HG LEU B 5 4.952 2.312 13.328 1.00 0.00 H ATOM 1242 HD21 LEU B 5 4.912 3.211 10.410 1.00 0.00 H ATOM 1243 HD22 LEU B 5 3.498 2.669 11.346 1.00 0.00 H ATOM 1244 HD23 LEU B 5 4.344 4.168 11.799 1.00 0.00 H ATOM 1245 HD11 LEU B 5 7.416 2.472 13.046 1.00 0.00 H ATOM 1246 HD12 LEU B 5 7.183 3.096 11.395 1.00 0.00 H ATOM 1247 HD13 LEU B 5 6.637 4.053 12.794 1.00 0.00 H ATOM 1248 H LEU B 5 6.647 -0.572 13.995 1.00 0.00 H ATOM 1249 N ARG B 6 3.707 -1.873 11.693 1.00 1.26 N ATOM 1250 CA ARG B 6 3.593 -3.218 11.053 1.00 0.80 C ATOM 1251 C ARG B 6 3.555 -3.085 9.529 1.00 0.64 C ATOM 1252 O ARG B 6 3.152 -2.068 8.999 1.00 0.62 O ATOM 1253 CB ARG B 6 2.307 -3.910 11.524 1.00 1.42 C ATOM 1254 CG ARG B 6 1.966 -3.478 12.957 1.00 1.65 C ATOM 1255 CD ARG B 6 3.120 -3.846 13.888 1.00 2.03 C ATOM 1256 NE ARG B 6 2.616 -3.871 15.290 1.00 2.55 N ATOM 1257 CZ ARG B 6 2.493 -5.014 15.907 1.00 3.09 C ATOM 1258 NH1 ARG B 6 3.513 -5.484 16.570 1.00 3.67 N ATOM 1259 NH2 ARG B 6 1.354 -5.649 15.840 1.00 3.44 N ATOM 1260 HA ARG B 6 4.462 -3.810 11.341 1.00 0.00 H ATOM 1261 HB2 ARG B 6 1.487 -3.636 10.860 1.00 0.00 H ATOM 1262 HB3 ARG B 6 2.449 -4.990 11.498 1.00 0.00 H ATOM 1263 HG2 ARG B 6 1.807 -2.400 12.984 1.00 0.00 H ATOM 1264 HG3 ARG B 6 1.059 -3.986 13.284 1.00 0.00 H ATOM 1265 HD2 ARG B 6 3.915 -3.106 13.797 1.00 0.00 H ATOM 1266 HD3 ARG B 6 3.508 -4.829 13.620 1.00 0.00 H ATOM 1267 HE ARG B 6 2.364 -2.985 15.773 1.00 0.00 H ATOM 1268 HH12 ARG B 6 3.435 -6.393 17.068 1.00 0.00 H ATOM 1269 HH11 ARG B 6 4.405 -4.949 16.600 1.00 0.00 H ATOM 1270 HH22 ARG B 6 1.238 -6.561 16.326 1.00 0.00 H ATOM 1271 HH21 ARG B 6 0.563 -5.242 15.301 1.00 0.00 H ATOM 1272 H ARG B 6 2.860 -1.289 11.842 1.00 0.00 H ATOM 1273 N CYS B 7 3.973 -4.125 8.855 1.00 0.57 N ATOM 1274 CA CYS B 7 3.961 -4.088 7.364 1.00 0.44 C ATOM 1275 C CYS B 7 2.524 -3.926 6.859 1.00 0.41 C ATOM 1276 O CYS B 7 1.584 -4.258 7.553 1.00 0.48 O ATOM 1277 CB CYS B 7 4.535 -5.400 6.829 1.00 0.45 C ATOM 1278 SG CYS B 7 6.334 -5.576 6.800 1.00 0.50 S ATOM 1279 HA CYS B 7 4.561 -3.247 7.018 1.00 0.00 H ATOM 1280 HB2 CYS B 7 4.179 -5.519 5.806 1.00 0.00 H ATOM 1281 HB3 CYS B 7 4.138 -6.206 7.446 1.00 0.00 H ATOM 1282 H CYS B 7 4.311 -4.972 9.355 1.00 0.00 H ATOM 1283 N GLN B 8 2.378 -3.419 5.665 1.00 0.35 N ATOM 1284 CA GLN B 8 1.001 -3.253 5.116 1.00 0.39 C ATOM 1285 C GLN B 8 0.345 -4.627 4.958 1.00 0.38 C ATOM 1286 O GLN B 8 -0.864 -4.748 5.017 1.00 0.45 O ATOM 1287 CB GLN B 8 1.076 -2.557 3.755 1.00 0.38 C ATOM 1288 CG GLN B 8 1.236 -1.047 3.965 1.00 0.45 C ATOM 1289 CD GLN B 8 -0.130 -0.369 3.830 1.00 0.78 C ATOM 1290 OE1 GLN B 8 -0.670 0.158 4.782 1.00 1.49 O ATOM 1291 NE2 GLN B 8 -0.720 -0.360 2.667 1.00 1.36 N ATOM 1292 HA GLN B 8 0.406 -2.647 5.799 1.00 0.00 H ATOM 1293 HB2 GLN B 8 1.930 -2.940 3.197 1.00 0.00 H ATOM 1294 HB3 GLN B 8 0.161 -2.752 3.195 1.00 0.00 H ATOM 1295 HG2 GLN B 8 1.640 -0.858 4.960 1.00 0.00 H ATOM 1296 HG3 GLN B 8 1.918 -0.645 3.215 1.00 0.00 H ATOM 1297 HE22 GLN B 8 -0.263 -0.810 1.848 1.00 0.00 H ATOM 1298 HE21 GLN B 8 -1.648 0.097 2.558 1.00 0.00 H ATOM 1299 H GLN B 8 3.208 -3.136 5.106 1.00 0.00 H ATOM 1300 N CYS B 9 1.163 -5.630 4.756 1.00 0.34 N ATOM 1301 CA CYS B 9 0.622 -7.017 4.591 1.00 0.38 C ATOM 1302 C CYS B 9 1.216 -7.948 5.652 1.00 0.34 C ATOM 1303 O CYS B 9 2.392 -8.256 5.623 1.00 0.44 O ATOM 1304 CB CYS B 9 0.992 -7.531 3.204 1.00 0.49 C ATOM 1305 SG CYS B 9 0.085 -6.847 1.800 1.00 0.78 S ATOM 1306 HA CYS B 9 -0.462 -6.996 4.708 1.00 0.00 H ATOM 1307 HB2 CYS B 9 0.836 -8.610 3.201 1.00 0.00 H ATOM 1308 HB3 CYS B 9 2.049 -7.318 3.047 1.00 0.00 H ATOM 1309 H CYS B 9 2.189 -5.463 4.710 1.00 0.00 H ATOM 1310 N ILE B 10 0.390 -8.376 6.567 1.00 0.44 N ATOM 1311 CA ILE B 10 0.890 -9.296 7.632 1.00 0.57 C ATOM 1312 C ILE B 10 0.688 -10.753 7.201 1.00 0.53 C ATOM 1313 O ILE B 10 1.483 -11.614 7.527 1.00 0.69 O ATOM 1314 CB ILE B 10 0.118 -9.033 8.925 1.00 0.78 C ATOM 1315 CG1 ILE B 10 0.080 -7.525 9.189 1.00 0.86 C ATOM 1316 CG2 ILE B 10 0.826 -9.730 10.087 1.00 0.97 C ATOM 1317 CD1 ILE B 10 -0.641 -7.265 10.514 1.00 1.23 C ATOM 1318 HA ILE B 10 1.953 -9.118 7.794 1.00 0.00 H ATOM 1319 HB ILE B 10 -0.898 -9.417 8.832 1.00 0.00 H ATOM 1320 HG12 ILE B 10 1.098 -7.138 9.245 1.00 0.00 H ATOM 1321 HG13 ILE B 10 -0.453 -7.026 8.379 1.00 0.00 H ATOM 1322 HD11 ILE B 10 -1.658 -7.653 10.455 1.00 0.00 H ATOM 1323 HD12 ILE B 10 -0.106 -7.765 11.321 1.00 0.00 H ATOM 1324 HD13 ILE B 10 -0.670 -6.192 10.706 1.00 0.00 H ATOM 1325 HG21 ILE B 10 0.865 -10.802 9.896 1.00 0.00 H ATOM 1326 HG22 ILE B 10 1.839 -9.339 10.180 1.00 0.00 H ATOM 1327 HG23 ILE B 10 0.277 -9.543 11.010 1.00 0.00 H ATOM 1328 H ILE B 10 -0.607 -8.079 6.555 1.00 0.00 H ATOM 1329 N LYS B 11 -0.377 -10.989 6.476 1.00 0.49 N ATOM 1330 CA LYS B 11 -0.664 -12.379 5.997 1.00 0.47 C ATOM 1331 C LYS B 11 -0.695 -12.404 4.465 1.00 0.42 C ATOM 1332 O LYS B 11 -0.605 -11.374 3.827 1.00 0.61 O ATOM 1333 CB LYS B 11 -2.021 -12.824 6.541 1.00 0.55 C ATOM 1334 CG LYS B 11 -1.838 -14.103 7.360 1.00 1.40 C ATOM 1335 CD LYS B 11 -3.183 -14.508 7.965 1.00 1.86 C ATOM 1336 CE LYS B 11 -3.212 -16.025 8.155 1.00 2.62 C ATOM 1337 NZ LYS B 11 -4.122 -16.393 9.275 1.00 3.10 N ATOM 1338 HA LYS B 11 0.116 -13.054 6.349 1.00 0.00 H ATOM 1339 HB2 LYS B 11 -2.435 -12.040 7.175 1.00 0.00 H ATOM 1340 HB3 LYS B 11 -2.702 -13.016 5.712 1.00 0.00 H ATOM 1341 HG2 LYS B 11 -1.473 -14.901 6.714 1.00 0.00 H ATOM 1342 HG3 LYS B 11 -1.117 -13.925 8.158 1.00 0.00 H ATOM 1343 HD2 LYS B 11 -3.312 -14.017 8.929 1.00 0.00 H ATOM 1344 HD3 LYS B 11 -3.989 -14.209 7.295 1.00 0.00 H ATOM 1345 HE2 LYS B 11 -2.205 -16.378 8.379 1.00 0.00 H ATOM 1346 HE3 LYS B 11 -3.564 -16.495 7.237 1.00 0.00 H ATOM 1347 HZ1 LYS B 11 -3.786 -15.948 10.153 1.00 0.00 H ATOM 1348 HZ2 LYS B 11 -5.084 -16.060 9.062 1.00 0.00 H ATOM 1349 HZ3 LYS B 11 -4.129 -17.427 9.389 1.00 0.00 H ATOM 1350 H LYS B 11 -1.023 -10.211 6.233 1.00 0.00 H ATOM 1351 N THR B 12 -0.823 -13.583 3.908 1.00 0.38 N ATOM 1352 CA THR B 12 -0.860 -13.694 2.415 1.00 0.33 C ATOM 1353 C THR B 12 -1.959 -14.673 1.981 1.00 0.32 C ATOM 1354 O THR B 12 -2.644 -15.248 2.804 1.00 0.37 O ATOM 1355 CB THR B 12 0.498 -14.197 1.914 1.00 0.35 C ATOM 1356 OG1 THR B 12 0.796 -15.322 2.734 1.00 0.40 O ATOM 1357 CG2 THR B 12 1.609 -13.186 2.194 1.00 0.40 C ATOM 1358 HA THR B 12 -1.074 -12.714 1.990 1.00 0.00 H ATOM 1359 HB THR B 12 0.449 -14.394 0.843 1.00 0.00 H ATOM 1360 HG1 THR B 12 1.669 -15.703 2.465 1.00 0.00 H ATOM 1361 HG23 THR B 12 1.444 -12.291 1.594 1.00 0.00 H ATOM 1362 HG21 THR B 12 1.601 -12.923 3.252 1.00 0.00 H ATOM 1363 HG22 THR B 12 2.572 -13.626 1.935 1.00 0.00 H ATOM 1364 H THR B 12 -0.898 -14.436 4.499 1.00 0.00 H ATOM 1365 N TYR B 13 -2.096 -14.837 0.692 1.00 0.30 N ATOM 1366 CA TYR B 13 -3.146 -15.764 0.169 1.00 0.31 C ATOM 1367 C TYR B 13 -2.514 -17.102 -0.242 1.00 0.32 C ATOM 1368 O TYR B 13 -1.656 -17.148 -1.101 1.00 0.49 O ATOM 1369 CB TYR B 13 -3.809 -15.109 -1.048 1.00 0.33 C ATOM 1370 CG TYR B 13 -5.298 -15.475 -1.100 1.00 0.36 C ATOM 1371 CD1 TYR B 13 -6.145 -15.128 -0.066 1.00 0.41 C ATOM 1372 CD2 TYR B 13 -5.814 -16.155 -2.187 1.00 0.38 C ATOM 1373 CE1 TYR B 13 -7.484 -15.458 -0.118 1.00 0.47 C ATOM 1374 CE2 TYR B 13 -7.154 -16.481 -2.237 1.00 0.43 C ATOM 1375 CZ TYR B 13 -7.999 -16.137 -1.202 1.00 0.47 C ATOM 1376 OH TYR B 13 -9.337 -16.465 -1.252 1.00 0.54 O ATOM 1377 HA TYR B 13 -3.888 -15.956 0.944 1.00 0.00 H ATOM 1378 HB3 TYR B 13 -3.320 -15.459 -1.957 1.00 0.00 H ATOM 1379 HB2 TYR B 13 -3.706 -14.026 -0.975 1.00 0.00 H ATOM 1380 HD2 TYR B 13 -5.158 -16.436 -3.011 1.00 0.00 H ATOM 1381 HE2 TYR B 13 -7.548 -17.015 -3.102 1.00 0.00 H ATOM 1382 HE1 TYR B 13 -8.141 -15.179 0.706 1.00 0.00 H ATOM 1383 HD1 TYR B 13 -5.753 -14.590 0.797 1.00 0.00 H ATOM 1384 HH TYR B 13 -9.786 -16.142 -0.431 1.00 0.00 H ATOM 1385 H TYR B 13 -1.477 -14.324 0.032 1.00 0.00 H ATOM 1386 N SER B 14 -2.957 -18.161 0.384 1.00 0.33 N ATOM 1387 CA SER B 14 -2.394 -19.506 0.049 1.00 0.33 C ATOM 1388 C SER B 14 -3.326 -20.254 -0.913 1.00 0.34 C ATOM 1389 O SER B 14 -3.499 -21.452 -0.809 1.00 0.40 O ATOM 1390 CB SER B 14 -2.237 -20.316 1.335 1.00 0.36 C ATOM 1391 OG SER B 14 -3.571 -20.584 1.741 1.00 0.40 O ATOM 1392 HA SER B 14 -1.425 -19.376 -0.433 1.00 0.00 H ATOM 1393 HB2 SER B 14 -1.710 -19.739 2.094 1.00 0.00 H ATOM 1394 HB3 SER B 14 -1.696 -21.243 1.145 1.00 0.00 H ATOM 1395 HG SER B 14 -4.034 -21.097 1.032 1.00 0.00 H ATOM 1396 H SER B 14 -3.696 -18.069 1.110 1.00 0.00 H ATOM 1397 N LYS B 15 -3.908 -19.525 -1.827 1.00 0.34 N ATOM 1398 CA LYS B 15 -4.830 -20.168 -2.810 1.00 0.37 C ATOM 1399 C LYS B 15 -4.665 -19.487 -4.204 1.00 0.34 C ATOM 1400 O LYS B 15 -5.161 -18.397 -4.409 1.00 0.33 O ATOM 1401 CB LYS B 15 -6.271 -19.982 -2.326 1.00 0.41 C ATOM 1402 CG LYS B 15 -7.057 -21.272 -2.587 1.00 0.98 C ATOM 1403 CD LYS B 15 -8.529 -21.066 -2.197 1.00 1.30 C ATOM 1404 CE LYS B 15 -8.709 -21.368 -0.706 1.00 1.88 C ATOM 1405 NZ LYS B 15 -9.099 -22.792 -0.506 1.00 2.64 N ATOM 1406 HA LYS B 15 -4.596 -21.229 -2.897 1.00 0.00 H ATOM 1407 HB2 LYS B 15 -6.273 -19.763 -1.258 1.00 0.00 H ATOM 1408 HB3 LYS B 15 -6.734 -19.156 -2.866 1.00 0.00 H ATOM 1409 HG2 LYS B 15 -6.994 -21.528 -3.645 1.00 0.00 H ATOM 1410 HG3 LYS B 15 -6.634 -22.082 -1.993 1.00 0.00 H ATOM 1411 HD2 LYS B 15 -8.817 -20.034 -2.396 1.00 0.00 H ATOM 1412 HD3 LYS B 15 -9.158 -21.737 -2.782 1.00 0.00 H ATOM 1413 HE2 LYS B 15 -9.488 -20.722 -0.300 1.00 0.00 H ATOM 1414 HE3 LYS B 15 -7.771 -21.176 -0.185 1.00 0.00 H ATOM 1415 HZ1 LYS B 15 -9.995 -22.977 -1.000 1.00 0.00 H ATOM 1416 HZ2 LYS B 15 -8.356 -23.411 -0.890 1.00 0.00 H ATOM 1417 HZ3 LYS B 15 -9.217 -22.978 0.510 1.00 0.00 H ATOM 1418 H LYS B 15 -3.730 -18.501 -1.870 1.00 0.00 H ATOM 1419 N PRO B 16 -3.961 -20.132 -5.140 1.00 0.36 N ATOM 1420 CA PRO B 16 -3.749 -19.537 -6.470 1.00 0.36 C ATOM 1421 C PRO B 16 -5.081 -19.252 -7.177 1.00 0.36 C ATOM 1422 O PRO B 16 -6.021 -20.014 -7.068 1.00 0.42 O ATOM 1423 CB PRO B 16 -2.929 -20.567 -7.254 1.00 0.42 C ATOM 1424 CG PRO B 16 -2.564 -21.716 -6.267 1.00 0.44 C ATOM 1425 CD PRO B 16 -3.335 -21.460 -4.961 1.00 0.41 C ATOM 1426 HA PRO B 16 -3.236 -18.578 -6.396 1.00 0.00 H ATOM 1427 HD3 PRO B 16 -4.096 -22.225 -4.809 1.00 0.00 H ATOM 1428 HD2 PRO B 16 -2.655 -21.452 -4.109 1.00 0.00 H ATOM 1429 HG3 PRO B 16 -1.491 -21.715 -6.073 1.00 0.00 H ATOM 1430 HG2 PRO B 16 -2.855 -22.678 -6.690 1.00 0.00 H ATOM 1431 HB2 PRO B 16 -3.517 -20.960 -8.083 1.00 0.00 H ATOM 1432 HB3 PRO B 16 -2.021 -20.105 -7.641 1.00 0.00 H ATOM 1433 N PHE B 17 -5.122 -18.151 -7.887 1.00 0.35 N ATOM 1434 CA PHE B 17 -6.375 -17.784 -8.614 1.00 0.35 C ATOM 1435 C PHE B 17 -6.044 -17.240 -10.011 1.00 0.37 C ATOM 1436 O PHE B 17 -4.929 -17.360 -10.481 1.00 0.61 O ATOM 1437 CB PHE B 17 -7.129 -16.720 -7.814 1.00 0.35 C ATOM 1438 CG PHE B 17 -6.193 -15.548 -7.518 1.00 0.36 C ATOM 1439 CD1 PHE B 17 -6.085 -14.492 -8.407 1.00 0.63 C ATOM 1440 CD2 PHE B 17 -5.441 -15.530 -6.357 1.00 0.31 C ATOM 1441 CE1 PHE B 17 -5.240 -13.441 -8.139 1.00 0.75 C ATOM 1442 CE2 PHE B 17 -4.596 -14.472 -6.091 1.00 0.32 C ATOM 1443 CZ PHE B 17 -4.495 -13.429 -6.983 1.00 0.56 C ATOM 1444 HA PHE B 17 -6.996 -18.673 -8.724 1.00 0.00 H ATOM 1445 HB2 PHE B 17 -7.983 -16.367 -8.393 1.00 0.00 H ATOM 1446 HB3 PHE B 17 -7.480 -17.151 -6.876 1.00 0.00 H ATOM 1447 HD2 PHE B 17 -5.516 -16.355 -5.649 1.00 0.00 H ATOM 1448 HE2 PHE B 17 -4.008 -14.462 -5.173 1.00 0.00 H ATOM 1449 HZ PHE B 17 -3.826 -12.595 -6.774 1.00 0.00 H ATOM 1450 HE1 PHE B 17 -5.160 -12.614 -8.845 1.00 0.00 H ATOM 1451 HD1 PHE B 17 -6.673 -14.494 -9.325 1.00 0.00 H ATOM 1452 H PHE B 17 -4.286 -17.535 -7.944 1.00 0.00 H ATOM 1453 N HIS B 18 -7.030 -16.653 -10.636 1.00 0.32 N ATOM 1454 CA HIS B 18 -6.831 -16.099 -12.015 1.00 0.28 C ATOM 1455 C HIS B 18 -7.002 -14.550 -11.998 1.00 0.25 C ATOM 1456 O HIS B 18 -7.861 -14.046 -11.300 1.00 0.27 O ATOM 1457 CB HIS B 18 -7.913 -16.714 -12.903 1.00 0.33 C ATOM 1458 CG HIS B 18 -7.610 -16.424 -14.360 1.00 0.33 C ATOM 1459 ND1 HIS B 18 -7.792 -15.256 -14.943 1.00 0.30 N ATOM 1460 CD2 HIS B 18 -7.103 -17.271 -15.335 1.00 0.39 C ATOM 1461 CE1 HIS B 18 -7.438 -15.357 -16.181 1.00 0.35 C ATOM 1462 NE2 HIS B 18 -7.031 -16.549 -16.410 1.00 0.39 N ATOM 1463 HA HIS B 18 -5.832 -16.333 -12.383 1.00 0.00 H ATOM 1464 HB2 HIS B 18 -7.940 -17.792 -12.747 1.00 0.00 H ATOM 1465 HB3 HIS B 18 -8.881 -16.286 -12.643 1.00 0.00 H ATOM 1466 HD2 HIS B 18 -6.825 -18.319 -15.222 1.00 0.00 H ATOM 1467 HE1 HIS B 18 -7.479 -14.553 -16.916 1.00 0.00 H ATOM 1468 H HIS B 18 -7.958 -16.570 -10.174 1.00 0.00 H ATOM 1469 N PRO B 19 -6.188 -13.809 -12.767 1.00 0.24 N ATOM 1470 CA PRO B 19 -6.313 -12.343 -12.804 1.00 0.25 C ATOM 1471 C PRO B 19 -7.739 -11.915 -13.192 1.00 0.28 C ATOM 1472 O PRO B 19 -8.095 -10.760 -13.068 1.00 0.32 O ATOM 1473 CB PRO B 19 -5.307 -11.873 -13.861 1.00 0.29 C ATOM 1474 CG PRO B 19 -4.560 -13.132 -14.389 1.00 0.30 C ATOM 1475 CD PRO B 19 -5.102 -14.348 -13.618 1.00 0.27 C ATOM 1476 HA PRO B 19 -6.115 -11.904 -11.826 1.00 0.00 H ATOM 1477 HD3 PRO B 19 -5.491 -15.097 -14.308 1.00 0.00 H ATOM 1478 HD2 PRO B 19 -4.319 -14.793 -13.004 1.00 0.00 H ATOM 1479 HG3 PRO B 19 -3.489 -13.029 -14.217 1.00 0.00 H ATOM 1480 HG2 PRO B 19 -4.745 -13.255 -15.456 1.00 0.00 H ATOM 1481 HB2 PRO B 19 -5.830 -11.380 -14.680 1.00 0.00 H ATOM 1482 HB3 PRO B 19 -4.596 -11.178 -13.415 1.00 0.00 H ATOM 1483 N LYS B 20 -8.520 -12.852 -13.656 1.00 0.28 N ATOM 1484 CA LYS B 20 -9.925 -12.514 -14.048 1.00 0.32 C ATOM 1485 C LYS B 20 -10.627 -11.787 -12.896 1.00 0.32 C ATOM 1486 O LYS B 20 -11.490 -10.961 -13.111 1.00 0.48 O ATOM 1487 CB LYS B 20 -10.676 -13.807 -14.355 1.00 0.39 C ATOM 1488 CG LYS B 20 -11.568 -13.630 -15.593 1.00 0.59 C ATOM 1489 CD LYS B 20 -12.160 -14.997 -15.987 1.00 0.58 C ATOM 1490 CE LYS B 20 -13.268 -15.404 -15.000 1.00 0.60 C ATOM 1491 NZ LYS B 20 -14.557 -15.599 -15.719 1.00 1.45 N ATOM 1492 HA LYS B 20 -9.912 -11.868 -14.926 1.00 0.00 H ATOM 1493 HB2 LYS B 20 -9.957 -14.604 -14.542 1.00 0.00 H ATOM 1494 HB3 LYS B 20 -11.297 -14.073 -13.500 1.00 0.00 H ATOM 1495 HG2 LYS B 20 -12.375 -12.934 -15.365 1.00 0.00 H ATOM 1496 HG3 LYS B 20 -10.974 -13.238 -16.418 1.00 0.00 H ATOM 1497 HD2 LYS B 20 -12.579 -14.932 -16.991 1.00 0.00 H ATOM 1498 HD3 LYS B 20 -11.371 -15.749 -15.972 1.00 0.00 H ATOM 1499 HE2 LYS B 20 -13.389 -14.621 -14.252 1.00 0.00 H ATOM 1500 HE3 LYS B 20 -12.987 -16.335 -14.507 1.00 0.00 H ATOM 1501 HZ1 LYS B 20 -14.829 -14.711 -16.187 1.00 0.00 H ATOM 1502 HZ2 LYS B 20 -14.445 -16.348 -16.432 1.00 0.00 H ATOM 1503 HZ3 LYS B 20 -15.294 -15.873 -15.039 1.00 0.00 H ATOM 1504 H LYS B 20 -8.169 -13.826 -13.753 1.00 0.00 H ATOM 1505 N PHE B 21 -10.233 -12.117 -11.699 1.00 0.29 N ATOM 1506 CA PHE B 21 -10.859 -11.470 -10.506 1.00 0.29 C ATOM 1507 C PHE B 21 -10.081 -10.212 -10.104 1.00 0.25 C ATOM 1508 O PHE B 21 -10.536 -9.427 -9.293 1.00 0.36 O ATOM 1509 CB PHE B 21 -10.836 -12.465 -9.349 1.00 0.36 C ATOM 1510 CG PHE B 21 -11.699 -13.674 -9.707 1.00 0.38 C ATOM 1511 CD1 PHE B 21 -13.080 -13.578 -9.713 1.00 0.47 C ATOM 1512 CD2 PHE B 21 -11.109 -14.884 -10.031 1.00 0.38 C ATOM 1513 CE1 PHE B 21 -13.855 -14.672 -10.036 1.00 0.55 C ATOM 1514 CE2 PHE B 21 -11.887 -15.977 -10.355 1.00 0.44 C ATOM 1515 CZ PHE B 21 -13.259 -15.870 -10.358 1.00 0.51 C ATOM 1516 HA PHE B 21 -11.882 -11.183 -10.747 1.00 0.00 H ATOM 1517 HB2 PHE B 21 -9.811 -12.789 -9.167 1.00 0.00 H ATOM 1518 HB3 PHE B 21 -11.230 -11.989 -8.451 1.00 0.00 H ATOM 1519 HD2 PHE B 21 -10.023 -14.974 -10.030 1.00 0.00 H ATOM 1520 HE2 PHE B 21 -11.414 -16.926 -10.609 1.00 0.00 H ATOM 1521 HZ PHE B 21 -13.873 -16.733 -10.615 1.00 0.00 H ATOM 1522 HE1 PHE B 21 -14.942 -14.588 -10.036 1.00 0.00 H ATOM 1523 HD1 PHE B 21 -13.558 -12.631 -9.461 1.00 0.00 H ATOM 1524 H PHE B 21 -9.485 -12.829 -11.574 1.00 0.00 H ATOM 1525 N ILE B 22 -8.928 -10.048 -10.682 1.00 0.30 N ATOM 1526 CA ILE B 22 -8.090 -8.860 -10.338 1.00 0.24 C ATOM 1527 C ILE B 22 -8.382 -7.703 -11.297 1.00 0.24 C ATOM 1528 O ILE B 22 -8.352 -7.866 -12.501 1.00 0.28 O ATOM 1529 CB ILE B 22 -6.591 -9.240 -10.443 1.00 0.29 C ATOM 1530 CG1 ILE B 22 -6.193 -10.290 -9.361 1.00 0.41 C ATOM 1531 CG2 ILE B 22 -5.741 -7.974 -10.270 1.00 0.26 C ATOM 1532 CD1 ILE B 22 -7.034 -10.937 -8.252 1.00 1.12 C ATOM 1533 HA ILE B 22 -8.327 -8.547 -9.321 1.00 0.00 H ATOM 1534 HB ILE B 22 -6.414 -9.684 -11.422 1.00 0.00 H ATOM 1535 HG12 ILE B 22 -5.818 -11.136 -9.937 1.00 0.00 H ATOM 1536 HG13 ILE B 22 -5.366 -9.821 -8.827 1.00 0.00 H ATOM 1537 HD11 ILE B 22 -7.416 -10.161 -7.588 1.00 0.00 H ATOM 1538 HD12 ILE B 22 -7.868 -11.478 -8.699 1.00 0.00 H ATOM 1539 HD13 ILE B 22 -6.413 -11.630 -7.684 1.00 0.00 H ATOM 1540 HG21 ILE B 22 -5.995 -7.258 -11.052 1.00 0.00 H ATOM 1541 HG22 ILE B 22 -5.942 -7.534 -9.293 1.00 0.00 H ATOM 1542 HG23 ILE B 22 -4.685 -8.234 -10.343 1.00 0.00 H ATOM 1543 H ILE B 22 -8.591 -10.741 -11.381 1.00 0.00 H ATOM 1544 N LYS B 23 -8.658 -6.558 -10.724 1.00 0.23 N ATOM 1545 CA LYS B 23 -8.942 -5.355 -11.547 1.00 0.26 C ATOM 1546 C LYS B 23 -7.932 -4.257 -11.218 1.00 0.22 C ATOM 1547 O LYS B 23 -7.656 -3.400 -12.035 1.00 0.24 O ATOM 1548 CB LYS B 23 -10.348 -4.849 -11.238 1.00 0.32 C ATOM 1549 CG LYS B 23 -11.371 -5.685 -12.012 1.00 0.35 C ATOM 1550 CD LYS B 23 -11.624 -5.049 -13.382 1.00 0.80 C ATOM 1551 CE LYS B 23 -12.697 -5.855 -14.116 1.00 0.96 C ATOM 1552 NZ LYS B 23 -12.315 -6.058 -15.540 1.00 1.58 N ATOM 1553 HA LYS B 23 -8.867 -5.616 -12.603 1.00 0.00 H ATOM 1554 HB2 LYS B 23 -10.540 -4.938 -10.169 1.00 0.00 H ATOM 1555 HB3 LYS B 23 -10.432 -3.804 -11.536 1.00 0.00 H ATOM 1556 HG2 LYS B 23 -10.986 -6.696 -12.147 1.00 0.00 H ATOM 1557 HG3 LYS B 23 -12.305 -5.725 -11.452 1.00 0.00 H ATOM 1558 HD2 LYS B 23 -11.964 -4.022 -13.251 1.00 0.00 H ATOM 1559 HD3 LYS B 23 -10.702 -5.054 -13.963 1.00 0.00 H ATOM 1560 HE2 LYS B 23 -13.644 -5.316 -14.072 1.00 0.00 H ATOM 1561 HE3 LYS B 23 -12.810 -6.826 -13.633 1.00 0.00 H ATOM 1562 HZ1 LYS B 23 -12.210 -5.134 -16.005 1.00 0.00 H ATOM 1563 HZ2 LYS B 23 -11.414 -6.575 -15.586 1.00 0.00 H ATOM 1564 HZ3 LYS B 23 -13.056 -6.607 -16.021 1.00 0.00 H ATOM 1565 H LYS B 23 -8.678 -6.491 -9.686 1.00 0.00 H ATOM 1566 N GLU B 24 -7.399 -4.308 -10.020 1.00 0.19 N ATOM 1567 CA GLU B 24 -6.399 -3.268 -9.613 1.00 0.19 C ATOM 1568 C GLU B 24 -5.211 -3.917 -8.890 1.00 0.18 C ATOM 1569 O GLU B 24 -5.390 -4.746 -8.020 1.00 0.24 O ATOM 1570 CB GLU B 24 -7.073 -2.265 -8.681 1.00 0.22 C ATOM 1571 CG GLU B 24 -5.997 -1.470 -7.937 1.00 0.24 C ATOM 1572 CD GLU B 24 -6.598 -0.160 -7.422 1.00 0.57 C ATOM 1573 OE1 GLU B 24 -7.646 -0.253 -6.803 1.00 1.47 O ATOM 1574 OE2 GLU B 24 -5.976 0.857 -7.677 1.00 1.28 O ATOM 1575 HA GLU B 24 -6.030 -2.762 -10.505 1.00 0.00 H ATOM 1576 HB2 GLU B 24 -7.693 -1.584 -9.264 1.00 0.00 H ATOM 1577 HB3 GLU B 24 -7.697 -2.796 -7.962 1.00 0.00 H ATOM 1578 HG2 GLU B 24 -5.627 -2.056 -7.096 1.00 0.00 H ATOM 1579 HG3 GLU B 24 -5.172 -1.250 -8.615 1.00 0.00 H ATOM 1580 H GLU B 24 -7.668 -5.064 -9.358 1.00 0.00 H ATOM 1581 N LEU B 25 -4.023 -3.517 -9.273 1.00 0.18 N ATOM 1582 CA LEU B 25 -2.800 -4.085 -8.627 1.00 0.19 C ATOM 1583 C LEU B 25 -2.131 -3.027 -7.744 1.00 0.19 C ATOM 1584 O LEU B 25 -2.201 -1.847 -8.026 1.00 0.22 O ATOM 1585 CB LEU B 25 -1.820 -4.526 -9.714 1.00 0.24 C ATOM 1586 CG LEU B 25 -0.803 -5.499 -9.115 1.00 0.27 C ATOM 1587 CD1 LEU B 25 -1.311 -6.932 -9.292 1.00 0.36 C ATOM 1588 CD2 LEU B 25 0.531 -5.345 -9.845 1.00 0.39 C ATOM 1589 HA LEU B 25 -3.083 -4.937 -8.009 1.00 0.00 H ATOM 1590 HB2 LEU B 25 -2.366 -5.019 -10.518 1.00 0.00 H ATOM 1591 HB3 LEU B 25 -1.300 -3.654 -10.111 1.00 0.00 H ATOM 1592 HG LEU B 25 -0.670 -5.284 -8.055 1.00 0.00 H ATOM 1593 HD21 LEU B 25 0.392 -5.566 -10.903 1.00 0.00 H ATOM 1594 HD22 LEU B 25 0.891 -4.323 -9.730 1.00 0.00 H ATOM 1595 HD23 LEU B 25 1.258 -6.037 -9.420 1.00 0.00 H ATOM 1596 HD11 LEU B 25 -2.268 -7.043 -8.782 1.00 0.00 H ATOM 1597 HD12 LEU B 25 -1.438 -7.143 -10.354 1.00 0.00 H ATOM 1598 HD13 LEU B 25 -0.588 -7.628 -8.866 1.00 0.00 H ATOM 1599 H LEU B 25 -3.931 -2.805 -10.026 1.00 0.00 H ATOM 1600 N ARG B 26 -1.495 -3.472 -6.692 1.00 0.19 N ATOM 1601 CA ARG B 26 -0.818 -2.502 -5.781 1.00 0.22 C ATOM 1602 C ARG B 26 0.484 -3.102 -5.240 1.00 0.23 C ATOM 1603 O ARG B 26 0.476 -4.159 -4.641 1.00 0.38 O ATOM 1604 CB ARG B 26 -1.748 -2.179 -4.622 1.00 0.28 C ATOM 1605 CG ARG B 26 -2.515 -0.889 -4.927 1.00 0.43 C ATOM 1606 CD ARG B 26 -3.773 -0.831 -4.057 1.00 0.51 C ATOM 1607 NE ARG B 26 -3.370 -0.788 -2.623 1.00 1.21 N ATOM 1608 CZ ARG B 26 -4.112 -0.137 -1.770 1.00 1.38 C ATOM 1609 NH1 ARG B 26 -5.407 -0.291 -1.815 1.00 1.95 N ATOM 1610 NH2 ARG B 26 -3.534 0.646 -0.900 1.00 1.61 N ATOM 1611 HA ARG B 26 -0.582 -1.593 -6.335 1.00 0.00 H ATOM 1612 HB2 ARG B 26 -2.454 -2.998 -4.483 1.00 0.00 H ATOM 1613 HB3 ARG B 26 -1.163 -2.048 -3.712 1.00 0.00 H ATOM 1614 HG2 ARG B 26 -1.882 -0.029 -4.710 1.00 0.00 H ATOM 1615 HG3 ARG B 26 -2.799 -0.874 -5.979 1.00 0.00 H ATOM 1616 HD2 ARG B 26 -4.384 -1.715 -4.239 1.00 0.00 H ATOM 1617 HD3 ARG B 26 -4.347 0.063 -4.303 1.00 0.00 H ATOM 1618 HE ARG B 26 -2.506 -1.272 -2.305 1.00 0.00 H ATOM 1619 HH12 ARG B 26 -6.015 0.220 -1.143 1.00 0.00 H ATOM 1620 HH11 ARG B 26 -5.831 -0.924 -2.523 1.00 0.00 H ATOM 1621 HH22 ARG B 26 -4.109 1.173 -0.212 1.00 0.00 H ATOM 1622 HH21 ARG B 26 -2.499 0.743 -0.895 1.00 0.00 H ATOM 1623 H ARG B 26 -1.461 -4.492 -6.492 1.00 0.00 H ATOM 1624 N VAL B 27 1.573 -2.410 -5.469 1.00 0.23 N ATOM 1625 CA VAL B 27 2.896 -2.913 -4.977 1.00 0.23 C ATOM 1626 C VAL B 27 3.554 -1.867 -4.073 1.00 0.25 C ATOM 1627 O VAL B 27 3.769 -0.742 -4.480 1.00 0.36 O ATOM 1628 CB VAL B 27 3.805 -3.189 -6.175 1.00 0.25 C ATOM 1629 CG1 VAL B 27 5.078 -3.886 -5.692 1.00 0.30 C ATOM 1630 CG2 VAL B 27 3.075 -4.102 -7.162 1.00 0.27 C ATOM 1631 HA VAL B 27 2.741 -3.829 -4.407 1.00 0.00 H ATOM 1632 HB VAL B 27 4.063 -2.250 -6.664 1.00 0.00 H ATOM 1633 HG11 VAL B 27 5.595 -3.242 -4.981 1.00 0.00 H ATOM 1634 HG12 VAL B 27 4.815 -4.827 -5.208 1.00 0.00 H ATOM 1635 HG13 VAL B 27 5.728 -4.084 -6.544 1.00 0.00 H ATOM 1636 HG21 VAL B 27 2.824 -5.041 -6.669 1.00 0.00 H ATOM 1637 HG22 VAL B 27 2.162 -3.613 -7.501 1.00 0.00 H ATOM 1638 HG23 VAL B 27 3.721 -4.300 -8.017 1.00 0.00 H ATOM 1639 H VAL B 27 1.519 -1.513 -5.992 1.00 0.00 H ATOM 1640 N ILE B 28 3.858 -2.268 -2.863 1.00 0.19 N ATOM 1641 CA ILE B 28 4.500 -1.317 -1.900 1.00 0.20 C ATOM 1642 C ILE B 28 5.897 -1.819 -1.513 1.00 0.21 C ATOM 1643 O ILE B 28 6.045 -2.886 -0.952 1.00 0.25 O ATOM 1644 CB ILE B 28 3.623 -1.215 -0.649 1.00 0.22 C ATOM 1645 CG1 ILE B 28 2.320 -0.488 -1.017 1.00 0.28 C ATOM 1646 CG2 ILE B 28 4.365 -0.423 0.433 1.00 0.21 C ATOM 1647 CD1 ILE B 28 1.331 -0.568 0.153 1.00 0.44 C ATOM 1648 HA ILE B 28 4.599 -0.337 -2.367 1.00 0.00 H ATOM 1649 HB ILE B 28 3.397 -2.212 -0.271 1.00 0.00 H ATOM 1650 HG12 ILE B 28 2.538 0.557 -1.236 1.00 0.00 H ATOM 1651 HG13 ILE B 28 1.879 -0.958 -1.896 1.00 0.00 H ATOM 1652 HD11 ILE B 28 1.112 -1.613 0.371 1.00 0.00 H ATOM 1653 HD12 ILE B 28 1.771 -0.097 1.032 1.00 0.00 H ATOM 1654 HD13 ILE B 28 0.410 -0.051 -0.115 1.00 0.00 H ATOM 1655 HG21 ILE B 28 5.295 -0.934 0.682 1.00 0.00 H ATOM 1656 HG22 ILE B 28 4.586 0.578 0.062 1.00 0.00 H ATOM 1657 HG23 ILE B 28 3.739 -0.351 1.323 1.00 0.00 H ATOM 1658 H ILE B 28 3.654 -3.245 -2.572 1.00 0.00 H ATOM 1659 N GLU B 29 6.891 -1.033 -1.826 1.00 0.23 N ATOM 1660 CA GLU B 29 8.288 -1.440 -1.492 1.00 0.26 C ATOM 1661 C GLU B 29 8.572 -1.191 -0.005 1.00 0.27 C ATOM 1662 O GLU B 29 7.833 -0.494 0.661 1.00 0.27 O ATOM 1663 CB GLU B 29 9.257 -0.616 -2.345 1.00 0.29 C ATOM 1664 CG GLU B 29 10.694 -0.902 -1.902 1.00 0.40 C ATOM 1665 CD GLU B 29 11.662 -0.440 -2.993 1.00 0.83 C ATOM 1666 OE1 GLU B 29 11.174 0.173 -3.927 1.00 1.53 O ATOM 1667 OE2 GLU B 29 12.836 -0.728 -2.829 1.00 1.55 O ATOM 1668 HA GLU B 29 8.417 -2.503 -1.698 1.00 0.00 H ATOM 1669 HB2 GLU B 29 9.139 -0.887 -3.394 1.00 0.00 H ATOM 1670 HB3 GLU B 29 9.041 0.445 -2.218 1.00 0.00 H ATOM 1671 HG2 GLU B 29 10.904 -0.364 -0.977 1.00 0.00 H ATOM 1672 HG3 GLU B 29 10.817 -1.972 -1.735 1.00 0.00 H ATOM 1673 H GLU B 29 6.711 -0.128 -2.306 1.00 0.00 H ATOM 1674 N SER B 30 9.637 -1.778 0.480 1.00 0.32 N ATOM 1675 CA SER B 30 10.001 -1.590 1.919 1.00 0.34 C ATOM 1676 C SER B 30 9.783 -0.133 2.340 1.00 0.35 C ATOM 1677 O SER B 30 10.330 0.774 1.743 1.00 0.39 O ATOM 1678 CB SER B 30 11.473 -1.954 2.110 1.00 0.40 C ATOM 1679 OG SER B 30 12.129 -1.329 1.017 1.00 0.44 O ATOM 1680 HA SER B 30 9.370 -2.232 2.533 1.00 0.00 H ATOM 1681 HB2 SER B 30 11.612 -3.035 2.078 1.00 0.00 H ATOM 1682 HB3 SER B 30 11.847 -1.568 3.058 1.00 0.00 H ATOM 1683 HG SER B 30 11.979 -0.351 1.059 1.00 0.00 H ATOM 1684 H SER B 30 10.229 -2.374 -0.134 1.00 0.00 H ATOM 1685 N GLY B 31 8.984 0.053 3.362 1.00 0.35 N ATOM 1686 CA GLY B 31 8.706 1.439 3.852 1.00 0.38 C ATOM 1687 C GLY B 31 9.087 1.559 5.334 1.00 0.42 C ATOM 1688 O GLY B 31 9.663 0.654 5.906 1.00 0.42 O ATOM 1689 HA3 GLY B 31 7.645 1.658 3.733 1.00 0.00 H ATOM 1690 HA2 GLY B 31 9.290 2.152 3.270 1.00 0.00 H ATOM 1691 H GLY B 31 8.543 -0.763 3.833 1.00 0.00 H ATOM 1692 N PRO B 32 8.754 2.686 5.926 1.00 0.46 N ATOM 1693 CA PRO B 32 9.059 2.935 7.340 1.00 0.51 C ATOM 1694 C PRO B 32 8.279 1.960 8.225 1.00 0.49 C ATOM 1695 O PRO B 32 8.389 1.983 9.435 1.00 0.52 O ATOM 1696 CB PRO B 32 8.607 4.379 7.599 1.00 0.55 C ATOM 1697 CG PRO B 32 8.007 4.925 6.266 1.00 0.54 C ATOM 1698 CD PRO B 32 8.054 3.781 5.237 1.00 0.47 C ATOM 1699 HA PRO B 32 10.116 2.795 7.566 1.00 0.00 H ATOM 1700 HD3 PRO B 32 7.046 3.476 4.955 1.00 0.00 H ATOM 1701 HD2 PRO B 32 8.602 4.087 4.346 1.00 0.00 H ATOM 1702 HG3 PRO B 32 8.596 5.770 5.911 1.00 0.00 H ATOM 1703 HG2 PRO B 32 6.976 5.243 6.424 1.00 0.00 H ATOM 1704 HB2 PRO B 32 7.851 4.398 8.384 1.00 0.00 H ATOM 1705 HB3 PRO B 32 9.459 4.988 7.902 1.00 0.00 H ATOM 1706 N HIS B 33 7.508 1.124 7.584 1.00 0.45 N ATOM 1707 CA HIS B 33 6.693 0.122 8.334 1.00 0.46 C ATOM 1708 C HIS B 33 7.086 -1.291 7.902 1.00 0.44 C ATOM 1709 O HIS B 33 6.842 -2.251 8.606 1.00 0.50 O ATOM 1710 CB HIS B 33 5.226 0.355 8.007 1.00 0.44 C ATOM 1711 CG HIS B 33 4.980 -0.039 6.550 1.00 0.36 C ATOM 1712 ND1 HIS B 33 5.683 0.370 5.541 1.00 0.33 N ATOM 1713 CD2 HIS B 33 4.021 -0.893 6.008 1.00 0.34 C ATOM 1714 CE1 HIS B 33 5.254 -0.143 4.449 1.00 0.29 C ATOM 1715 NE2 HIS B 33 4.242 -0.919 4.704 1.00 0.29 N ATOM 1716 HA HIS B 33 6.866 0.229 9.405 1.00 0.00 H ATOM 1717 HB2 HIS B 33 4.603 -0.254 8.662 1.00 0.00 H ATOM 1718 HB3 HIS B 33 4.981 1.408 8.149 1.00 0.00 H ATOM 1719 HD2 HIS B 33 3.244 -1.432 6.550 1.00 0.00 H ATOM 1720 HE1 HIS B 33 5.672 0.042 3.459 1.00 0.00 H ATOM 1721 H HIS B 33 7.461 1.156 6.546 1.00 0.00 H ATOM 1722 N CYS B 34 7.688 -1.382 6.744 1.00 0.38 N ATOM 1723 CA CYS B 34 8.106 -2.718 6.229 1.00 0.37 C ATOM 1724 C CYS B 34 9.513 -2.636 5.628 1.00 0.39 C ATOM 1725 O CYS B 34 9.804 -1.757 4.842 1.00 0.39 O ATOM 1726 CB CYS B 34 7.115 -3.165 5.156 1.00 0.34 C ATOM 1727 SG CYS B 34 6.860 -4.945 4.956 1.00 0.45 S ATOM 1728 HA CYS B 34 8.118 -3.436 7.049 1.00 0.00 H ATOM 1729 HB2 CYS B 34 7.467 -2.775 4.201 1.00 0.00 H ATOM 1730 HB3 CYS B 34 6.149 -2.720 5.395 1.00 0.00 H ATOM 1731 H CYS B 34 7.875 -0.526 6.184 1.00 0.00 H ATOM 1732 N ALA B 35 10.355 -3.558 6.013 1.00 0.43 N ATOM 1733 CA ALA B 35 11.747 -3.552 5.480 1.00 0.46 C ATOM 1734 C ALA B 35 11.876 -4.533 4.309 1.00 0.46 C ATOM 1735 O ALA B 35 12.952 -5.014 4.015 1.00 0.52 O ATOM 1736 CB ALA B 35 12.708 -3.962 6.596 1.00 0.53 C ATOM 1737 HA ALA B 35 11.990 -2.551 5.125 1.00 0.00 H ATOM 1738 HB1 ALA B 35 12.627 -3.255 7.422 1.00 0.00 H ATOM 1739 HB2 ALA B 35 12.451 -4.962 6.945 1.00 0.00 H ATOM 1740 HB3 ALA B 35 13.729 -3.960 6.214 1.00 0.00 H ATOM 1741 H ALA B 35 10.056 -4.291 6.687 1.00 0.00 H ATOM 1742 N ASN B 36 10.770 -4.806 3.666 1.00 0.42 N ATOM 1743 CA ASN B 36 10.805 -5.760 2.514 1.00 0.43 C ATOM 1744 C ASN B 36 9.893 -5.271 1.387 1.00 0.39 C ATOM 1745 O ASN B 36 9.712 -4.092 1.195 1.00 0.44 O ATOM 1746 CB ASN B 36 10.330 -7.133 2.993 1.00 0.46 C ATOM 1747 CG ASN B 36 11.131 -7.542 4.230 1.00 0.57 C ATOM 1748 OD1 ASN B 36 12.310 -7.267 4.340 1.00 1.18 O ATOM 1749 ND2 ASN B 36 10.532 -8.203 5.183 1.00 1.15 N ATOM 1750 HA ASN B 36 11.825 -5.825 2.134 1.00 0.00 H ATOM 1751 HB2 ASN B 36 9.271 -7.085 3.245 1.00 0.00 H ATOM 1752 HB3 ASN B 36 10.481 -7.867 2.202 1.00 0.00 H ATOM 1753 HD22 ASN B 36 9.524 -8.442 5.096 1.00 0.00 H ATOM 1754 HD21 ASN B 36 11.063 -8.491 6.029 1.00 0.00 H ATOM 1755 H ASN B 36 9.874 -4.364 3.953 1.00 0.00 H ATOM 1756 N THR B 37 9.358 -6.203 0.665 1.00 0.39 N ATOM 1757 CA THR B 37 8.444 -5.846 -0.463 1.00 0.36 C ATOM 1758 C THR B 37 7.151 -6.664 -0.366 1.00 0.34 C ATOM 1759 O THR B 37 7.179 -7.832 -0.035 1.00 0.40 O ATOM 1760 CB THR B 37 9.152 -6.141 -1.787 1.00 0.43 C ATOM 1761 OG1 THR B 37 9.562 -4.865 -2.267 1.00 0.46 O ATOM 1762 CG2 THR B 37 8.194 -6.681 -2.851 1.00 0.45 C ATOM 1763 HA THR B 37 8.191 -4.787 -0.411 1.00 0.00 H ATOM 1764 HB THR B 37 9.945 -6.870 -1.621 1.00 0.00 H ATOM 1765 HG1 THR B 37 10.033 -4.974 -3.131 1.00 0.00 H ATOM 1766 HG23 THR B 37 7.835 -7.665 -2.549 1.00 0.00 H ATOM 1767 HG21 THR B 37 7.348 -6.001 -2.956 1.00 0.00 H ATOM 1768 HG22 THR B 37 8.718 -6.760 -3.803 1.00 0.00 H ATOM 1769 H THR B 37 9.564 -7.202 0.870 1.00 0.00 H ATOM 1770 N GLU B 38 6.046 -6.026 -0.653 1.00 0.31 N ATOM 1771 CA GLU B 38 4.737 -6.745 -0.582 1.00 0.34 C ATOM 1772 C GLU B 38 3.868 -6.380 -1.790 1.00 0.30 C ATOM 1773 O GLU B 38 3.682 -5.219 -2.096 1.00 0.32 O ATOM 1774 CB GLU B 38 4.019 -6.343 0.704 1.00 0.41 C ATOM 1775 CG GLU B 38 5.051 -6.155 1.817 1.00 1.06 C ATOM 1776 CD GLU B 38 4.337 -6.101 3.168 1.00 1.86 C ATOM 1777 OE1 GLU B 38 3.500 -5.224 3.303 1.00 2.39 O ATOM 1778 OE2 GLU B 38 4.669 -6.940 3.990 1.00 2.59 O ATOM 1779 HA GLU B 38 4.914 -7.820 -0.589 1.00 0.00 H ATOM 1780 HB2 GLU B 38 3.480 -5.409 0.545 1.00 0.00 H ATOM 1781 HB3 GLU B 38 3.314 -7.124 0.988 1.00 0.00 H ATOM 1782 HG2 GLU B 38 5.751 -6.990 1.809 1.00 0.00 H ATOM 1783 HG3 GLU B 38 5.595 -5.224 1.655 1.00 0.00 H ATOM 1784 H GLU B 38 6.078 -5.024 -0.929 1.00 0.00 H ATOM 1785 N ILE B 39 3.351 -7.385 -2.448 1.00 0.28 N ATOM 1786 CA ILE B 39 2.491 -7.121 -3.640 1.00 0.25 C ATOM 1787 C ILE B 39 1.010 -7.213 -3.259 1.00 0.23 C ATOM 1788 O ILE B 39 0.468 -8.292 -3.115 1.00 0.26 O ATOM 1789 CB ILE B 39 2.805 -8.159 -4.720 1.00 0.29 C ATOM 1790 CG1 ILE B 39 4.165 -7.824 -5.354 1.00 0.41 C ATOM 1791 CG2 ILE B 39 1.713 -8.112 -5.793 1.00 0.33 C ATOM 1792 CD1 ILE B 39 4.618 -8.978 -6.263 1.00 0.62 C ATOM 1793 HA ILE B 39 2.695 -6.118 -4.014 1.00 0.00 H ATOM 1794 HB ILE B 39 2.841 -9.156 -4.282 1.00 0.00 H ATOM 1795 HG12 ILE B 39 4.074 -6.913 -5.945 1.00 0.00 H ATOM 1796 HG13 ILE B 39 4.903 -7.673 -4.567 1.00 0.00 H ATOM 1797 HD11 ILE B 39 4.711 -9.889 -5.672 1.00 0.00 H ATOM 1798 HD12 ILE B 39 3.881 -9.129 -7.052 1.00 0.00 H ATOM 1799 HD13 ILE B 39 5.582 -8.732 -6.708 1.00 0.00 H ATOM 1800 HG21 ILE B 39 0.748 -8.336 -5.338 1.00 0.00 H ATOM 1801 HG22 ILE B 39 1.684 -7.117 -6.237 1.00 0.00 H ATOM 1802 HG23 ILE B 39 1.932 -8.850 -6.565 1.00 0.00 H ATOM 1803 H ILE B 39 3.538 -8.362 -2.143 1.00 0.00 H ATOM 1804 N ILE B 40 0.387 -6.077 -3.105 1.00 0.21 N ATOM 1805 CA ILE B 40 -1.060 -6.078 -2.740 1.00 0.22 C ATOM 1806 C ILE B 40 -1.919 -6.085 -4.008 1.00 0.21 C ATOM 1807 O ILE B 40 -1.449 -5.758 -5.080 1.00 0.26 O ATOM 1808 CB ILE B 40 -1.368 -4.825 -1.918 1.00 0.24 C ATOM 1809 CG1 ILE B 40 -0.760 -4.984 -0.526 1.00 0.36 C ATOM 1810 CG2 ILE B 40 -2.883 -4.654 -1.791 1.00 0.43 C ATOM 1811 CD1 ILE B 40 -0.364 -3.607 0.012 1.00 0.76 C ATOM 1812 HA ILE B 40 -1.287 -6.969 -2.155 1.00 0.00 H ATOM 1813 HB ILE B 40 -0.946 -3.949 -2.411 1.00 0.00 H ATOM 1814 HG12 ILE B 40 -1.491 -5.440 0.141 1.00 0.00 H ATOM 1815 HG13 ILE B 40 0.123 -5.620 -0.584 1.00 0.00 H ATOM 1816 HD11 ILE B 40 0.367 -3.153 -0.657 1.00 0.00 H ATOM 1817 HD12 ILE B 40 -1.249 -2.973 0.069 1.00 0.00 H ATOM 1818 HD13 ILE B 40 0.070 -3.718 1.006 1.00 0.00 H ATOM 1819 HG21 ILE B 40 -3.320 -4.553 -2.784 1.00 0.00 H ATOM 1820 HG22 ILE B 40 -3.305 -5.527 -1.294 1.00 0.00 H ATOM 1821 HG23 ILE B 40 -3.099 -3.761 -1.205 1.00 0.00 H ATOM 1822 H ILE B 40 0.894 -5.179 -3.235 1.00 0.00 H ATOM 1823 N VAL B 41 -3.161 -6.456 -3.863 1.00 0.21 N ATOM 1824 CA VAL B 41 -4.053 -6.494 -5.056 1.00 0.20 C ATOM 1825 C VAL B 41 -5.504 -6.195 -4.652 1.00 0.19 C ATOM 1826 O VAL B 41 -5.862 -6.314 -3.496 1.00 0.23 O ATOM 1827 CB VAL B 41 -3.963 -7.884 -5.689 1.00 0.23 C ATOM 1828 CG1 VAL B 41 -4.400 -8.940 -4.667 1.00 0.38 C ATOM 1829 CG2 VAL B 41 -4.878 -7.946 -6.912 1.00 0.36 C ATOM 1830 HA VAL B 41 -3.736 -5.736 -5.772 1.00 0.00 H ATOM 1831 HB VAL B 41 -2.935 -8.079 -5.995 1.00 0.00 H ATOM 1832 HG11 VAL B 41 -3.746 -8.894 -3.796 1.00 0.00 H ATOM 1833 HG12 VAL B 41 -5.428 -8.745 -4.362 1.00 0.00 H ATOM 1834 HG13 VAL B 41 -4.335 -9.930 -5.119 1.00 0.00 H ATOM 1835 HG21 VAL B 41 -5.906 -7.751 -6.606 1.00 0.00 H ATOM 1836 HG22 VAL B 41 -4.565 -7.195 -7.637 1.00 0.00 H ATOM 1837 HG23 VAL B 41 -4.814 -8.936 -7.363 1.00 0.00 H ATOM 1838 H VAL B 41 -3.525 -6.722 -2.926 1.00 0.00 H ATOM 1839 N LYS B 42 -6.307 -5.809 -5.619 1.00 0.20 N ATOM 1840 CA LYS B 42 -7.742 -5.495 -5.316 1.00 0.21 C ATOM 1841 C LYS B 42 -8.671 -6.241 -6.280 1.00 0.20 C ATOM 1842 O LYS B 42 -8.490 -6.198 -7.486 1.00 0.20 O ATOM 1843 CB LYS B 42 -7.970 -3.991 -5.454 1.00 0.25 C ATOM 1844 CG LYS B 42 -8.352 -3.416 -4.086 1.00 0.42 C ATOM 1845 CD LYS B 42 -8.625 -1.916 -4.222 1.00 0.65 C ATOM 1846 CE LYS B 42 -9.902 -1.568 -3.453 1.00 1.02 C ATOM 1847 NZ LYS B 42 -10.182 -0.107 -3.541 1.00 1.68 N ATOM 1848 HA LYS B 42 -7.964 -5.814 -4.298 1.00 0.00 H ATOM 1849 HB2 LYS B 42 -7.057 -3.514 -5.809 1.00 0.00 H ATOM 1850 HB3 LYS B 42 -8.775 -3.807 -6.166 1.00 0.00 H ATOM 1851 HG2 LYS B 42 -9.247 -3.917 -3.718 1.00 0.00 H ATOM 1852 HG3 LYS B 42 -7.534 -3.575 -3.383 1.00 0.00 H ATOM 1853 HD2 LYS B 42 -7.787 -1.353 -3.812 1.00 0.00 H ATOM 1854 HD3 LYS B 42 -8.751 -1.662 -5.274 1.00 0.00 H ATOM 1855 HE2 LYS B 42 -9.779 -1.848 -2.407 1.00 0.00 H ATOM 1856 HE3 LYS B 42 -10.740 -2.120 -3.879 1.00 0.00 H ATOM 1857 HZ1 LYS B 42 -9.386 0.423 -3.132 1.00 0.00 H ATOM 1858 HZ2 LYS B 42 -10.303 0.162 -4.538 1.00 0.00 H ATOM 1859 HZ3 LYS B 42 -11.052 0.110 -3.014 1.00 0.00 H ATOM 1860 H LYS B 42 -5.948 -5.722 -6.591 1.00 0.00 H ATOM 1861 N LEU B 43 -9.652 -6.904 -5.721 1.00 0.23 N ATOM 1862 CA LEU B 43 -10.612 -7.670 -6.572 1.00 0.24 C ATOM 1863 C LEU B 43 -11.828 -6.805 -6.923 1.00 0.28 C ATOM 1864 O LEU B 43 -12.271 -5.999 -6.127 1.00 0.33 O ATOM 1865 CB LEU B 43 -11.082 -8.906 -5.807 1.00 0.29 C ATOM 1866 CG LEU B 43 -10.005 -9.985 -5.885 1.00 0.35 C ATOM 1867 CD1 LEU B 43 -8.689 -9.420 -5.351 1.00 0.42 C ATOM 1868 CD2 LEU B 43 -10.427 -11.179 -5.027 1.00 0.50 C ATOM 1869 HA LEU B 43 -10.110 -7.963 -7.494 1.00 0.00 H ATOM 1870 HB2 LEU B 43 -11.261 -8.644 -4.764 1.00 0.00 H ATOM 1871 HB3 LEU B 43 -12.005 -9.280 -6.250 1.00 0.00 H ATOM 1872 HG LEU B 43 -9.875 -10.303 -6.919 1.00 0.00 H ATOM 1873 HD21 LEU B 43 -10.549 -10.857 -3.993 1.00 0.00 H ATOM 1874 HD22 LEU B 43 -11.372 -11.576 -5.399 1.00 0.00 H ATOM 1875 HD23 LEU B 43 -9.660 -11.952 -5.080 1.00 0.00 H ATOM 1876 HD11 LEU B 43 -8.392 -8.562 -5.954 1.00 0.00 H ATOM 1877 HD12 LEU B 43 -8.822 -9.109 -4.315 1.00 0.00 H ATOM 1878 HD13 LEU B 43 -7.917 -10.188 -5.405 1.00 0.00 H ATOM 1879 H LEU B 43 -9.763 -6.897 -4.687 1.00 0.00 H ATOM 1880 N SER B 44 -12.337 -7.003 -8.110 1.00 0.30 N ATOM 1881 CA SER B 44 -13.528 -6.210 -8.560 1.00 0.35 C ATOM 1882 C SER B 44 -14.635 -6.215 -7.497 1.00 0.38 C ATOM 1883 O SER B 44 -15.353 -5.248 -7.347 1.00 0.47 O ATOM 1884 CB SER B 44 -14.076 -6.830 -9.842 1.00 0.38 C ATOM 1885 OG SER B 44 -15.179 -7.609 -9.406 1.00 0.55 O ATOM 1886 HA SER B 44 -13.214 -5.180 -8.727 1.00 0.00 H ATOM 1887 HB2 SER B 44 -13.324 -7.457 -10.321 1.00 0.00 H ATOM 1888 HB3 SER B 44 -14.399 -6.057 -10.539 1.00 0.00 H ATOM 1889 HG SER B 44 -15.842 -7.022 -8.963 1.00 0.00 H ATOM 1890 H SER B 44 -11.916 -7.712 -8.744 1.00 0.00 H ATOM 1891 N ASP B 45 -14.750 -7.299 -6.783 1.00 0.38 N ATOM 1892 CA ASP B 45 -15.820 -7.376 -5.743 1.00 0.48 C ATOM 1893 C ASP B 45 -15.644 -6.256 -4.713 1.00 0.51 C ATOM 1894 O ASP B 45 -16.474 -6.069 -3.847 1.00 0.60 O ATOM 1895 CB ASP B 45 -15.737 -8.730 -5.043 1.00 0.53 C ATOM 1896 CG ASP B 45 -14.270 -9.130 -4.885 1.00 0.48 C ATOM 1897 OD1 ASP B 45 -13.547 -8.320 -4.329 1.00 1.18 O ATOM 1898 OD2 ASP B 45 -13.955 -10.222 -5.329 1.00 1.19 O ATOM 1899 HA ASP B 45 -16.793 -7.261 -6.221 1.00 0.00 H ATOM 1900 HB2 ASP B 45 -16.203 -8.661 -4.060 1.00 0.00 H ATOM 1901 HB3 ASP B 45 -16.257 -9.480 -5.639 1.00 0.00 H ATOM 1902 H ASP B 45 -14.105 -8.101 -6.935 1.00 0.00 H ATOM 1903 N GLY B 46 -14.566 -5.536 -4.833 1.00 0.45 N ATOM 1904 CA GLY B 46 -14.318 -4.426 -3.873 1.00 0.52 C ATOM 1905 C GLY B 46 -13.551 -4.938 -2.657 1.00 0.49 C ATOM 1906 O GLY B 46 -13.676 -4.401 -1.573 1.00 0.58 O ATOM 1907 HA3 GLY B 46 -15.272 -4.011 -3.548 1.00 0.00 H ATOM 1908 HA2 GLY B 46 -13.734 -3.648 -4.365 1.00 0.00 H ATOM 1909 H GLY B 46 -13.884 -5.735 -5.593 1.00 0.00 H ATOM 1910 N ARG B 47 -12.768 -5.969 -2.865 1.00 0.40 N ATOM 1911 CA ARG B 47 -11.982 -6.547 -1.726 1.00 0.39 C ATOM 1912 C ARG B 47 -10.483 -6.327 -1.947 1.00 0.34 C ATOM 1913 O ARG B 47 -10.055 -6.020 -3.042 1.00 0.43 O ATOM 1914 CB ARG B 47 -12.266 -8.046 -1.636 1.00 0.41 C ATOM 1915 CG ARG B 47 -13.773 -8.263 -1.459 1.00 0.59 C ATOM 1916 CD ARG B 47 -14.098 -9.747 -1.644 1.00 1.03 C ATOM 1917 NE ARG B 47 -13.571 -10.509 -0.477 1.00 1.24 N ATOM 1918 CZ ARG B 47 -14.381 -11.262 0.214 1.00 1.80 C ATOM 1919 NH1 ARG B 47 -14.772 -12.400 -0.291 1.00 2.46 N ATOM 1920 NH2 ARG B 47 -14.776 -10.852 1.390 1.00 2.34 N ATOM 1921 HA ARG B 47 -12.277 -6.052 -0.801 1.00 0.00 H ATOM 1922 HB2 ARG B 47 -11.931 -8.536 -2.550 1.00 0.00 H ATOM 1923 HB3 ARG B 47 -11.734 -8.468 -0.783 1.00 0.00 H ATOM 1924 HG2 ARG B 47 -14.071 -7.947 -0.459 1.00 0.00 H ATOM 1925 HG3 ARG B 47 -14.315 -7.676 -2.201 1.00 0.00 H ATOM 1926 HD2 ARG B 47 -13.632 -10.112 -2.559 1.00 0.00 H ATOM 1927 HD3 ARG B 47 -15.178 -9.879 -1.710 1.00 0.00 H ATOM 1928 HE ARG B 47 -12.567 -10.441 -0.216 1.00 0.00 H ATOM 1929 HH12 ARG B 47 -15.418 -13.013 0.246 1.00 0.00 H ATOM 1930 HH11 ARG B 47 -14.438 -12.694 -1.231 1.00 0.00 H ATOM 1931 HH22 ARG B 47 -15.422 -11.439 1.955 1.00 0.00 H ATOM 1932 HH21 ARG B 47 -14.445 -9.939 1.761 1.00 0.00 H ATOM 1933 H ARG B 47 -12.692 -6.384 -3.816 1.00 0.00 H ATOM 1934 N GLU B 48 -9.722 -6.489 -0.896 1.00 0.29 N ATOM 1935 CA GLU B 48 -8.245 -6.297 -1.016 1.00 0.26 C ATOM 1936 C GLU B 48 -7.506 -7.400 -0.255 1.00 0.26 C ATOM 1937 O GLU B 48 -7.778 -7.646 0.904 1.00 0.33 O ATOM 1938 CB GLU B 48 -7.866 -4.932 -0.439 1.00 0.31 C ATOM 1939 CG GLU B 48 -7.888 -5.004 1.088 1.00 1.22 C ATOM 1940 CD GLU B 48 -7.955 -3.585 1.658 1.00 1.52 C ATOM 1941 OE1 GLU B 48 -8.782 -2.839 1.159 1.00 2.19 O ATOM 1942 OE2 GLU B 48 -7.174 -3.327 2.560 1.00 1.71 O ATOM 1943 HA GLU B 48 -7.961 -6.344 -2.067 1.00 0.00 H ATOM 1944 HB2 GLU B 48 -6.866 -4.659 -0.776 1.00 0.00 H ATOM 1945 HB3 GLU B 48 -8.580 -4.182 -0.779 1.00 0.00 H ATOM 1946 HG2 GLU B 48 -8.761 -5.570 1.414 1.00 0.00 H ATOM 1947 HG3 GLU B 48 -6.983 -5.497 1.443 1.00 0.00 H ATOM 1948 H GLU B 48 -10.143 -6.750 0.019 1.00 0.00 H ATOM 1949 N LEU B 49 -6.588 -8.041 -0.932 1.00 0.24 N ATOM 1950 CA LEU B 49 -5.809 -9.138 -0.278 1.00 0.26 C ATOM 1951 C LEU B 49 -4.309 -8.904 -0.470 1.00 0.24 C ATOM 1952 O LEU B 49 -3.901 -7.901 -1.027 1.00 0.43 O ATOM 1953 CB LEU B 49 -6.198 -10.473 -0.910 1.00 0.32 C ATOM 1954 CG LEU B 49 -7.675 -10.756 -0.622 1.00 0.37 C ATOM 1955 CD1 LEU B 49 -8.439 -10.841 -1.944 1.00 0.75 C ATOM 1956 CD2 LEU B 49 -7.796 -12.091 0.114 1.00 0.54 C ATOM 1957 HA LEU B 49 -6.033 -9.151 0.789 1.00 0.00 H ATOM 1958 HB2 LEU B 49 -6.039 -10.427 -1.987 1.00 0.00 H ATOM 1959 HB3 LEU B 49 -5.585 -11.269 -0.487 1.00 0.00 H ATOM 1960 HG LEU B 49 -8.090 -9.957 -0.008 1.00 0.00 H ATOM 1961 HD21 LEU B 49 -7.385 -12.886 -0.508 1.00 0.00 H ATOM 1962 HD22 LEU B 49 -7.243 -12.039 1.052 1.00 0.00 H ATOM 1963 HD23 LEU B 49 -8.846 -12.296 0.321 1.00 0.00 H ATOM 1964 HD11 LEU B 49 -8.345 -9.895 -2.478 1.00 0.00 H ATOM 1965 HD12 LEU B 49 -8.024 -11.645 -2.551 1.00 0.00 H ATOM 1966 HD13 LEU B 49 -9.491 -11.042 -1.742 1.00 0.00 H ATOM 1967 H LEU B 49 -6.400 -7.788 -1.923 1.00 0.00 H ATOM 1968 N CYS B 50 -3.520 -9.839 -0.005 1.00 0.23 N ATOM 1969 CA CYS B 50 -2.038 -9.699 -0.141 1.00 0.22 C ATOM 1970 C CYS B 50 -1.433 -10.996 -0.682 1.00 0.22 C ATOM 1971 O CYS B 50 -1.741 -12.072 -0.207 1.00 0.28 O ATOM 1972 CB CYS B 50 -1.442 -9.391 1.229 1.00 0.25 C ATOM 1973 SG CYS B 50 -1.725 -7.736 1.902 1.00 0.54 S ATOM 1974 HA CYS B 50 -1.813 -8.890 -0.836 1.00 0.00 H ATOM 1975 HB2 CYS B 50 -0.364 -9.536 1.158 1.00 0.00 H ATOM 1976 HB3 CYS B 50 -1.858 -10.108 1.936 1.00 0.00 H ATOM 1977 H CYS B 50 -3.924 -10.678 0.458 1.00 0.00 H ATOM 1978 N LEU B 51 -0.581 -10.861 -1.665 1.00 0.22 N ATOM 1979 CA LEU B 51 0.059 -12.071 -2.264 1.00 0.24 C ATOM 1980 C LEU B 51 1.525 -12.166 -1.833 1.00 0.28 C ATOM 1981 O LEU B 51 2.135 -11.177 -1.477 1.00 0.34 O ATOM 1982 CB LEU B 51 -0.010 -11.971 -3.787 1.00 0.24 C ATOM 1983 CG LEU B 51 -1.415 -11.528 -4.202 1.00 0.31 C ATOM 1984 CD1 LEU B 51 -1.501 -11.506 -5.728 1.00 0.37 C ATOM 1985 CD2 LEU B 51 -2.440 -12.520 -3.651 1.00 0.44 C ATOM 1986 HA LEU B 51 -0.470 -12.960 -1.920 1.00 0.00 H ATOM 1987 HB2 LEU B 51 0.720 -11.242 -4.138 1.00 0.00 H ATOM 1988 HB3 LEU B 51 0.210 -12.944 -4.226 1.00 0.00 H ATOM 1989 HG LEU B 51 -1.621 -10.533 -3.807 1.00 0.00 H ATOM 1990 HD21 LEU B 51 -2.236 -13.512 -4.053 1.00 0.00 H ATOM 1991 HD22 LEU B 51 -2.371 -12.546 -2.564 1.00 0.00 H ATOM 1992 HD23 LEU B 51 -3.442 -12.207 -3.945 1.00 0.00 H ATOM 1993 HD11 LEU B 51 -0.764 -10.807 -6.122 1.00 0.00 H ATOM 1994 HD12 LEU B 51 -1.301 -12.505 -6.116 1.00 0.00 H ATOM 1995 HD13 LEU B 51 -2.500 -11.191 -6.030 1.00 0.00 H ATOM 1996 H LEU B 51 -0.350 -9.914 -2.029 1.00 0.00 H ATOM 1997 N ASP B 52 2.053 -13.359 -1.879 1.00 0.31 N ATOM 1998 CA ASP B 52 3.478 -13.557 -1.483 1.00 0.37 C ATOM 1999 C ASP B 52 4.344 -13.809 -2.751 1.00 0.32 C ATOM 2000 O ASP B 52 4.228 -14.854 -3.359 1.00 0.31 O ATOM 2001 CB ASP B 52 3.562 -14.786 -0.581 1.00 0.48 C ATOM 2002 CG ASP B 52 4.792 -14.670 0.321 1.00 0.66 C ATOM 2003 OD1 ASP B 52 5.750 -14.074 -0.145 1.00 0.61 O ATOM 2004 OD2 ASP B 52 4.705 -15.184 1.424 1.00 1.05 O ATOM 2005 HA ASP B 52 3.843 -12.671 -0.963 1.00 0.00 H ATOM 2006 HB2 ASP B 52 2.664 -14.848 0.034 1.00 0.00 H ATOM 2007 HB3 ASP B 52 3.644 -15.683 -1.195 1.00 0.00 H ATOM 2008 H ASP B 52 1.482 -14.170 -2.191 1.00 0.00 H ATOM 2009 N PRO B 53 5.202 -12.857 -3.140 1.00 0.39 N ATOM 2010 CA PRO B 53 6.035 -13.048 -4.336 1.00 0.44 C ATOM 2011 C PRO B 53 6.919 -14.287 -4.175 1.00 0.45 C ATOM 2012 O PRO B 53 7.654 -14.653 -5.070 1.00 0.57 O ATOM 2013 CB PRO B 53 6.889 -11.781 -4.448 1.00 0.58 C ATOM 2014 CG PRO B 53 6.451 -10.822 -3.300 1.00 0.62 C ATOM 2015 CD PRO B 53 5.414 -11.571 -2.444 1.00 0.49 C ATOM 2016 HA PRO B 53 5.433 -13.204 -5.231 1.00 0.00 H ATOM 2017 HD3 PRO B 53 5.797 -11.738 -1.437 1.00 0.00 H ATOM 2018 HD2 PRO B 53 4.483 -11.007 -2.388 1.00 0.00 H ATOM 2019 HG3 PRO B 53 6.007 -9.919 -3.718 1.00 0.00 H ATOM 2020 HG2 PRO B 53 7.313 -10.553 -2.690 1.00 0.00 H ATOM 2021 HB2 PRO B 53 7.944 -12.032 -4.342 1.00 0.00 H ATOM 2022 HB3 PRO B 53 6.725 -11.305 -5.415 1.00 0.00 H ATOM 2023 N LYS B 54 6.826 -14.906 -3.030 1.00 0.39 N ATOM 2024 CA LYS B 54 7.640 -16.119 -2.784 1.00 0.45 C ATOM 2025 C LYS B 54 7.026 -17.327 -3.500 1.00 0.44 C ATOM 2026 O LYS B 54 7.647 -18.368 -3.603 1.00 0.50 O ATOM 2027 CB LYS B 54 7.688 -16.387 -1.280 1.00 0.48 C ATOM 2028 CG LYS B 54 8.829 -17.361 -0.977 1.00 0.91 C ATOM 2029 CD LYS B 54 8.923 -17.567 0.535 1.00 1.26 C ATOM 2030 CE LYS B 54 10.085 -18.514 0.841 1.00 1.89 C ATOM 2031 NZ LYS B 54 11.251 -17.753 1.372 1.00 2.75 N ATOM 2032 HA LYS B 54 8.647 -15.960 -3.169 1.00 0.00 H ATOM 2033 HB2 LYS B 54 7.857 -15.451 -0.748 1.00 0.00 H ATOM 2034 HB3 LYS B 54 6.742 -16.822 -0.957 1.00 0.00 H ATOM 2035 HG2 LYS B 54 8.633 -18.316 -1.464 1.00 0.00 H ATOM 2036 HG3 LYS B 54 9.768 -16.951 -1.349 1.00 0.00 H ATOM 2037 HD2 LYS B 54 9.095 -16.608 1.024 1.00 0.00 H ATOM 2038 HD3 LYS B 54 7.993 -18.000 0.903 1.00 0.00 H ATOM 2039 HE2 LYS B 54 10.379 -19.029 -0.073 1.00 0.00 H ATOM 2040 HE3 LYS B 54 9.766 -19.246 1.583 1.00 0.00 H ATOM 2041 HZ1 LYS B 54 11.559 -17.056 0.665 1.00 0.00 H ATOM 2042 HZ2 LYS B 54 10.974 -17.263 2.246 1.00 0.00 H ATOM 2043 HZ3 LYS B 54 12.030 -18.411 1.574 1.00 0.00 H ATOM 2044 H LYS B 54 6.184 -14.550 -2.294 1.00 0.00 H ATOM 2045 N GLU B 55 5.817 -17.164 -3.983 1.00 0.40 N ATOM 2046 CA GLU B 55 5.149 -18.300 -4.694 1.00 0.40 C ATOM 2047 C GLU B 55 5.231 -18.096 -6.210 1.00 0.40 C ATOM 2048 O GLU B 55 5.044 -17.003 -6.706 1.00 0.39 O ATOM 2049 CB GLU B 55 3.686 -18.372 -4.266 1.00 0.38 C ATOM 2050 CG GLU B 55 3.607 -18.439 -2.739 1.00 0.42 C ATOM 2051 CD GLU B 55 2.928 -19.746 -2.324 1.00 0.94 C ATOM 2052 OE1 GLU B 55 3.434 -20.775 -2.740 1.00 1.65 O ATOM 2053 OE2 GLU B 55 1.941 -19.642 -1.614 1.00 1.35 O ATOM 2054 HA GLU B 55 5.655 -19.230 -4.436 1.00 0.00 H ATOM 2055 HB2 GLU B 55 3.159 -17.486 -4.619 1.00 0.00 H ATOM 2056 HB3 GLU B 55 3.225 -19.262 -4.694 1.00 0.00 H ATOM 2057 HG2 GLU B 55 4.613 -18.402 -2.320 1.00 0.00 H ATOM 2058 HG3 GLU B 55 3.028 -17.594 -2.367 1.00 0.00 H ATOM 2059 H GLU B 55 5.327 -16.253 -3.873 1.00 0.00 H ATOM 2060 N ASN B 56 5.500 -19.160 -6.913 1.00 0.44 N ATOM 2061 CA ASN B 56 5.615 -19.049 -8.397 1.00 0.45 C ATOM 2062 C ASN B 56 4.267 -18.689 -9.030 1.00 0.42 C ATOM 2063 O ASN B 56 4.210 -17.897 -9.950 1.00 0.42 O ATOM 2064 CB ASN B 56 6.098 -20.386 -8.957 1.00 0.50 C ATOM 2065 CG ASN B 56 7.621 -20.359 -9.086 1.00 1.08 C ATOM 2066 OD1 ASN B 56 8.298 -19.580 -8.444 1.00 1.79 O ATOM 2067 ND2 ASN B 56 8.203 -21.193 -9.904 1.00 1.84 N ATOM 2068 HA ASN B 56 6.325 -18.257 -8.635 1.00 0.00 H ATOM 2069 HB2 ASN B 56 5.803 -21.191 -8.284 1.00 0.00 H ATOM 2070 HB3 ASN B 56 5.652 -20.553 -9.938 1.00 0.00 H ATOM 2071 HD22 ASN B 56 7.631 -21.863 -10.457 1.00 0.00 H ATOM 2072 HD21 ASN B 56 9.238 -21.188 -10.003 1.00 0.00 H ATOM 2073 H ASN B 56 5.633 -20.079 -6.444 1.00 0.00 H ATOM 2074 N TRP B 57 3.204 -19.270 -8.536 1.00 0.41 N ATOM 2075 CA TRP B 57 1.874 -18.956 -9.136 1.00 0.39 C ATOM 2076 C TRP B 57 1.540 -17.475 -8.955 1.00 0.35 C ATOM 2077 O TRP B 57 0.731 -16.933 -9.677 1.00 0.37 O ATOM 2078 CB TRP B 57 0.780 -19.825 -8.496 1.00 0.39 C ATOM 2079 CG TRP B 57 0.699 -19.574 -6.982 1.00 0.38 C ATOM 2080 CD1 TRP B 57 1.299 -20.332 -6.070 1.00 0.40 C ATOM 2081 CD2 TRP B 57 -0.017 -18.623 -6.406 1.00 0.35 C ATOM 2082 NE1 TRP B 57 0.909 -19.794 -4.904 1.00 0.39 N ATOM 2083 CE2 TRP B 57 0.076 -18.711 -5.026 1.00 0.36 C ATOM 2084 CE3 TRP B 57 -0.791 -17.623 -6.974 1.00 0.33 C ATOM 2085 CZ2 TRP B 57 -0.597 -17.810 -4.223 1.00 0.35 C ATOM 2086 CZ3 TRP B 57 -1.462 -16.723 -6.168 1.00 0.31 C ATOM 2087 CH2 TRP B 57 -1.365 -16.818 -4.793 1.00 0.33 C ATOM 2088 HA TRP B 57 1.919 -19.175 -10.203 1.00 0.00 H ATOM 2089 HB2 TRP B 57 -0.181 -19.583 -8.951 1.00 0.00 H ATOM 2090 HB3 TRP B 57 1.009 -20.876 -8.672 1.00 0.00 H ATOM 2091 HE1 TRP B 57 1.214 -20.168 -3.983 1.00 0.00 H ATOM 2092 HD1 TRP B 57 1.953 -21.189 -6.231 1.00 0.00 H ATOM 2093 HZ2 TRP B 57 -0.520 -17.884 -3.138 1.00 0.00 H ATOM 2094 HH2 TRP B 57 -1.896 -16.108 -4.159 1.00 0.00 H ATOM 2095 HZ3 TRP B 57 -2.069 -15.937 -6.618 1.00 0.00 H ATOM 2096 HE3 TRP B 57 -0.871 -17.546 -8.058 1.00 0.00 H ATOM 2097 H TRP B 57 3.284 -19.937 -7.742 1.00 0.00 H ATOM 2098 N VAL B 58 2.166 -16.844 -8.003 1.00 0.34 N ATOM 2099 CA VAL B 58 1.880 -15.397 -7.795 1.00 0.31 C ATOM 2100 C VAL B 58 2.568 -14.582 -8.882 1.00 0.32 C ATOM 2101 O VAL B 58 2.017 -13.628 -9.393 1.00 0.31 O ATOM 2102 CB VAL B 58 2.406 -14.968 -6.422 1.00 0.31 C ATOM 2103 CG1 VAL B 58 2.642 -13.457 -6.417 1.00 0.30 C ATOM 2104 CG2 VAL B 58 1.375 -15.320 -5.356 1.00 0.31 C ATOM 2105 HA VAL B 58 0.804 -15.227 -7.842 1.00 0.00 H ATOM 2106 HB VAL B 58 3.343 -15.484 -6.212 1.00 0.00 H ATOM 2107 HG11 VAL B 58 3.374 -13.202 -7.183 1.00 0.00 H ATOM 2108 HG12 VAL B 58 1.703 -12.943 -6.624 1.00 0.00 H ATOM 2109 HG13 VAL B 58 3.016 -13.152 -5.440 1.00 0.00 H ATOM 2110 HG21 VAL B 58 0.442 -14.799 -5.569 1.00 0.00 H ATOM 2111 HG22 VAL B 58 1.202 -16.396 -5.361 1.00 0.00 H ATOM 2112 HG23 VAL B 58 1.747 -15.016 -4.378 1.00 0.00 H ATOM 2113 H VAL B 58 2.852 -17.341 -7.400 1.00 0.00 H ATOM 2114 N GLN B 59 3.758 -14.981 -9.214 1.00 0.36 N ATOM 2115 CA GLN B 59 4.499 -14.253 -10.274 1.00 0.38 C ATOM 2116 C GLN B 59 3.812 -14.472 -11.623 1.00 0.38 C ATOM 2117 O GLN B 59 3.997 -13.712 -12.547 1.00 0.39 O ATOM 2118 CB GLN B 59 5.927 -14.796 -10.337 1.00 0.42 C ATOM 2119 CG GLN B 59 6.826 -13.763 -11.018 1.00 0.45 C ATOM 2120 CD GLN B 59 8.259 -14.295 -11.068 1.00 1.26 C ATOM 2121 OE1 GLN B 59 8.504 -15.469 -10.875 1.00 1.97 O ATOM 2122 NE2 GLN B 59 9.234 -13.466 -11.323 1.00 2.02 N ATOM 2123 HA GLN B 59 4.515 -13.187 -10.049 1.00 0.00 H ATOM 2124 HB2 GLN B 59 6.290 -14.987 -9.327 1.00 0.00 H ATOM 2125 HB3 GLN B 59 5.940 -15.724 -10.908 1.00 0.00 H ATOM 2126 HG2 GLN B 59 6.469 -13.581 -12.032 1.00 0.00 H ATOM 2127 HG3 GLN B 59 6.803 -12.831 -10.453 1.00 0.00 H ATOM 2128 HE22 GLN B 59 9.031 -12.460 -11.489 1.00 0.00 H ATOM 2129 HE21 GLN B 59 10.214 -13.812 -11.360 1.00 0.00 H ATOM 2130 H GLN B 59 4.188 -15.802 -8.742 1.00 0.00 H ATOM 2131 N ARG B 60 3.017 -15.506 -11.699 1.00 0.38 N ATOM 2132 CA ARG B 60 2.320 -15.806 -12.983 1.00 0.39 C ATOM 2133 C ARG B 60 0.987 -15.053 -13.083 1.00 0.36 C ATOM 2134 O ARG B 60 0.785 -14.274 -13.993 1.00 0.38 O ATOM 2135 CB ARG B 60 2.062 -17.309 -13.064 1.00 0.41 C ATOM 2136 CG ARG B 60 2.540 -17.832 -14.419 1.00 0.86 C ATOM 2137 CD ARG B 60 2.270 -19.335 -14.502 1.00 1.03 C ATOM 2138 NE ARG B 60 2.172 -19.730 -15.933 1.00 1.82 N ATOM 2139 CZ ARG B 60 2.808 -20.789 -16.352 1.00 2.22 C ATOM 2140 NH1 ARG B 60 2.796 -21.865 -15.615 1.00 2.55 N ATOM 2141 NH2 ARG B 60 3.437 -20.734 -17.494 1.00 2.85 N ATOM 2142 HA ARG B 60 2.954 -15.481 -13.808 1.00 0.00 H ATOM 2143 HB2 ARG B 60 2.605 -17.815 -12.266 1.00 0.00 H ATOM 2144 HB3 ARG B 60 0.995 -17.502 -12.955 1.00 0.00 H ATOM 2145 HG2 ARG B 60 2.003 -17.320 -15.218 1.00 0.00 H ATOM 2146 HG3 ARG B 60 3.609 -17.647 -14.525 1.00 0.00 H ATOM 2147 HD2 ARG B 60 1.334 -19.567 -13.993 1.00 0.00 H ATOM 2148 HD3 ARG B 60 3.086 -19.880 -14.027 1.00 0.00 H ATOM 2149 HE ARG B 60 1.601 -19.166 -16.594 1.00 0.00 H ATOM 2150 HH12 ARG B 60 3.298 -22.719 -15.933 1.00 0.00 H ATOM 2151 HH11 ARG B 60 2.285 -21.869 -14.709 1.00 0.00 H ATOM 2152 HH22 ARG B 60 3.950 -21.567 -17.846 1.00 0.00 H ATOM 2153 HH21 ARG B 60 3.425 -19.857 -18.052 1.00 0.00 H ATOM 2154 H ARG B 60 2.871 -16.116 -10.869 1.00 0.00 H ATOM 2155 N VAL B 61 0.098 -15.296 -12.150 1.00 0.32 N ATOM 2156 CA VAL B 61 -1.214 -14.602 -12.215 1.00 0.30 C ATOM 2157 C VAL B 61 -0.991 -13.086 -12.223 1.00 0.28 C ATOM 2158 O VAL B 61 -1.738 -12.346 -12.833 1.00 0.26 O ATOM 2159 CB VAL B 61 -2.058 -15.019 -11.008 1.00 0.29 C ATOM 2160 CG1 VAL B 61 -2.166 -16.548 -10.975 1.00 0.37 C ATOM 2161 CG2 VAL B 61 -1.381 -14.522 -9.727 1.00 0.34 C ATOM 2162 HA VAL B 61 -1.741 -14.878 -13.128 1.00 0.00 H ATOM 2163 HB VAL B 61 -3.056 -14.586 -11.083 1.00 0.00 H ATOM 2164 HG11 VAL B 61 -2.640 -16.897 -11.892 1.00 0.00 H ATOM 2165 HG12 VAL B 61 -1.169 -16.980 -10.892 1.00 0.00 H ATOM 2166 HG13 VAL B 61 -2.766 -16.850 -10.117 1.00 0.00 H ATOM 2167 HG21 VAL B 61 -0.387 -14.961 -9.649 1.00 0.00 H ATOM 2168 HG22 VAL B 61 -1.298 -13.436 -9.759 1.00 0.00 H ATOM 2169 HG23 VAL B 61 -1.978 -14.817 -8.864 1.00 0.00 H ATOM 2170 H VAL B 61 0.307 -15.962 -11.379 1.00 0.00 H ATOM 2171 N VAL B 62 0.040 -12.658 -11.550 1.00 0.29 N ATOM 2172 CA VAL B 62 0.338 -11.200 -11.530 1.00 0.28 C ATOM 2173 C VAL B 62 0.938 -10.788 -12.875 1.00 0.30 C ATOM 2174 O VAL B 62 0.622 -9.740 -13.406 1.00 0.30 O ATOM 2175 CB VAL B 62 1.334 -10.903 -10.408 1.00 0.30 C ATOM 2176 CG1 VAL B 62 1.781 -9.443 -10.506 1.00 0.31 C ATOM 2177 CG2 VAL B 62 0.654 -11.131 -9.058 1.00 0.32 C ATOM 2178 HA VAL B 62 -0.580 -10.638 -11.357 1.00 0.00 H ATOM 2179 HB VAL B 62 2.199 -11.560 -10.500 1.00 0.00 H ATOM 2180 HG11 VAL B 62 2.256 -9.274 -11.472 1.00 0.00 H ATOM 2181 HG12 VAL B 62 0.913 -8.791 -10.408 1.00 0.00 H ATOM 2182 HG13 VAL B 62 2.491 -9.227 -9.708 1.00 0.00 H ATOM 2183 HG21 VAL B 62 -0.206 -10.467 -8.969 1.00 0.00 H ATOM 2184 HG22 VAL B 62 0.324 -12.167 -8.990 1.00 0.00 H ATOM 2185 HG23 VAL B 62 1.361 -10.920 -8.256 1.00 0.00 H ATOM 2186 H VAL B 62 0.647 -13.327 -11.034 1.00 0.00 H ATOM 2187 N GLU B 63 1.796 -11.625 -13.403 1.00 0.33 N ATOM 2188 CA GLU B 63 2.416 -11.303 -14.720 1.00 0.36 C ATOM 2189 C GLU B 63 1.328 -11.169 -15.784 1.00 0.33 C ATOM 2190 O GLU B 63 1.378 -10.291 -16.622 1.00 0.35 O ATOM 2191 CB GLU B 63 3.371 -12.426 -15.119 1.00 0.41 C ATOM 2192 CG GLU B 63 3.831 -12.206 -16.560 1.00 0.50 C ATOM 2193 CD GLU B 63 5.204 -12.849 -16.757 1.00 1.24 C ATOM 2194 OE1 GLU B 63 5.216 -14.054 -16.948 1.00 1.89 O ATOM 2195 OE2 GLU B 63 6.166 -12.099 -16.705 1.00 1.87 O ATOM 2196 HA GLU B 63 2.963 -10.364 -14.639 1.00 0.00 H ATOM 2197 HB2 GLU B 63 4.236 -12.423 -14.455 1.00 0.00 H ATOM 2198 HB3 GLU B 63 2.859 -13.385 -15.042 1.00 0.00 H ATOM 2199 HG2 GLU B 63 3.115 -12.660 -17.244 1.00 0.00 H ATOM 2200 HG3 GLU B 63 3.897 -11.137 -16.762 1.00 0.00 H ATOM 2201 H GLU B 63 2.042 -12.506 -12.908 1.00 0.00 H ATOM 2202 N LYS B 64 0.363 -12.048 -15.730 1.00 0.31 N ATOM 2203 CA LYS B 64 -0.734 -11.982 -16.733 1.00 0.31 C ATOM 2204 C LYS B 64 -1.485 -10.656 -16.598 1.00 0.27 C ATOM 2205 O LYS B 64 -1.828 -10.035 -17.586 1.00 0.28 O ATOM 2206 CB LYS B 64 -1.695 -13.148 -16.507 1.00 0.32 C ATOM 2207 CG LYS B 64 -1.361 -14.268 -17.496 1.00 0.46 C ATOM 2208 CD LYS B 64 -2.282 -15.462 -17.238 1.00 1.03 C ATOM 2209 CE LYS B 64 -1.889 -16.607 -18.174 1.00 1.35 C ATOM 2210 NZ LYS B 64 -3.073 -17.454 -18.488 1.00 1.87 N ATOM 2211 HA LYS B 64 -0.312 -12.047 -17.736 1.00 0.00 H ATOM 2212 HB2 LYS B 64 -1.589 -13.517 -15.487 1.00 0.00 H ATOM 2213 HB3 LYS B 64 -2.720 -12.813 -16.666 1.00 0.00 H ATOM 2214 HG2 LYS B 64 -1.506 -13.909 -18.515 1.00 0.00 H ATOM 2215 HG3 LYS B 64 -0.323 -14.573 -17.364 1.00 0.00 H ATOM 2216 HD2 LYS B 64 -2.180 -15.785 -16.202 1.00 0.00 H ATOM 2217 HD3 LYS B 64 -3.316 -15.174 -17.427 1.00 0.00 H ATOM 2218 HE2 LYS B 64 -1.127 -17.220 -17.692 1.00 0.00 H ATOM 2219 HE3 LYS B 64 -1.488 -16.193 -19.099 1.00 0.00 H ATOM 2220 HZ1 LYS B 64 -3.456 -17.853 -17.607 1.00 0.00 H ATOM 2221 HZ2 LYS B 64 -3.800 -16.873 -18.951 1.00 0.00 H ATOM 2222 HZ3 LYS B 64 -2.787 -18.225 -19.124 1.00 0.00 H ATOM 2223 H LYS B 64 0.362 -12.784 -14.995 1.00 0.00 H ATOM 2224 N PHE B 65 -1.726 -10.246 -15.381 1.00 0.24 N ATOM 2225 CA PHE B 65 -2.447 -8.955 -15.185 1.00 0.21 C ATOM 2226 C PHE B 65 -1.718 -7.829 -15.920 1.00 0.24 C ATOM 2227 O PHE B 65 -2.334 -7.017 -16.582 1.00 0.25 O ATOM 2228 CB PHE B 65 -2.513 -8.620 -13.707 1.00 0.19 C ATOM 2229 CG PHE B 65 -3.192 -7.257 -13.542 1.00 0.17 C ATOM 2230 CD1 PHE B 65 -4.547 -7.113 -13.788 1.00 0.18 C ATOM 2231 CD2 PHE B 65 -2.461 -6.148 -13.151 1.00 0.19 C ATOM 2232 CE1 PHE B 65 -5.158 -5.882 -13.645 1.00 0.18 C ATOM 2233 CE2 PHE B 65 -3.074 -4.919 -13.008 1.00 0.19 C ATOM 2234 CZ PHE B 65 -4.422 -4.787 -13.256 1.00 0.18 C ATOM 2235 HA PHE B 65 -3.456 -9.056 -15.584 1.00 0.00 H ATOM 2236 HB2 PHE B 65 -3.089 -9.383 -13.183 1.00 0.00 H ATOM 2237 HB3 PHE B 65 -1.505 -8.580 -13.294 1.00 0.00 H ATOM 2238 HD2 PHE B 65 -1.393 -6.246 -12.955 1.00 0.00 H ATOM 2239 HE2 PHE B 65 -2.490 -4.052 -12.698 1.00 0.00 H ATOM 2240 HZ PHE B 65 -4.905 -3.816 -13.144 1.00 0.00 H ATOM 2241 HE1 PHE B 65 -6.225 -5.778 -13.841 1.00 0.00 H ATOM 2242 HD1 PHE B 65 -5.136 -7.977 -14.097 1.00 0.00 H ATOM 2243 H PHE B 65 -1.420 -10.810 -14.563 1.00 0.00 H ATOM 2244 N LEU B 66 -0.420 -7.802 -15.787 1.00 0.29 N ATOM 2245 CA LEU B 66 0.365 -6.731 -16.470 1.00 0.35 C ATOM 2246 C LEU B 66 0.278 -6.898 -17.991 1.00 0.35 C ATOM 2247 O LEU B 66 0.089 -5.940 -18.714 1.00 0.37 O ATOM 2248 CB LEU B 66 1.825 -6.824 -16.030 1.00 0.44 C ATOM 2249 CG LEU B 66 2.027 -5.978 -14.772 1.00 0.61 C ATOM 2250 CD1 LEU B 66 3.208 -6.535 -13.977 1.00 1.12 C ATOM 2251 CD2 LEU B 66 2.327 -4.534 -15.177 1.00 0.76 C ATOM 2252 HA LEU B 66 -0.044 -5.758 -16.199 1.00 0.00 H ATOM 2253 HB2 LEU B 66 2.076 -7.863 -15.815 1.00 0.00 H ATOM 2254 HB3 LEU B 66 2.470 -6.453 -16.826 1.00 0.00 H ATOM 2255 HG LEU B 66 1.125 -6.007 -14.160 1.00 0.00 H ATOM 2256 HD21 LEU B 66 3.232 -4.509 -15.784 1.00 0.00 H ATOM 2257 HD22 LEU B 66 1.491 -4.138 -15.753 1.00 0.00 H ATOM 2258 HD23 LEU B 66 2.471 -3.929 -14.282 1.00 0.00 H ATOM 2259 HD11 LEU B 66 3.000 -7.567 -13.695 1.00 0.00 H ATOM 2260 HD12 LEU B 66 4.107 -6.499 -14.592 1.00 0.00 H ATOM 2261 HD13 LEU B 66 3.355 -5.935 -13.079 1.00 0.00 H ATOM 2262 H LEU B 66 0.063 -8.520 -15.210 1.00 0.00 H ATOM 2263 N LYS B 67 0.417 -8.114 -18.444 1.00 0.38 N ATOM 2264 CA LYS B 67 0.344 -8.361 -19.915 1.00 0.42 C ATOM 2265 C LYS B 67 -1.077 -8.097 -20.424 1.00 0.39 C ATOM 2266 O LYS B 67 -1.276 -7.779 -21.580 1.00 0.44 O ATOM 2267 CB LYS B 67 0.725 -9.813 -20.198 1.00 0.47 C ATOM 2268 CG LYS B 67 1.544 -9.871 -21.490 1.00 0.98 C ATOM 2269 CD LYS B 67 1.574 -11.310 -21.999 1.00 1.37 C ATOM 2270 CE LYS B 67 2.350 -11.364 -23.322 1.00 1.68 C ATOM 2271 NZ LYS B 67 2.650 -12.780 -23.668 1.00 2.37 N ATOM 2272 HA LYS B 67 1.033 -7.690 -20.427 1.00 0.00 H ATOM 2273 HB2 LYS B 67 1.318 -10.203 -19.371 1.00 0.00 H ATOM 2274 HB3 LYS B 67 -0.178 -10.413 -20.310 1.00 0.00 H ATOM 2275 HG2 LYS B 67 1.087 -9.227 -22.241 1.00 0.00 H ATOM 2276 HG3 LYS B 67 2.561 -9.532 -21.293 1.00 0.00 H ATOM 2277 HD2 LYS B 67 2.064 -11.947 -21.263 1.00 0.00 H ATOM 2278 HD3 LYS B 67 0.555 -11.661 -22.160 1.00 0.00 H ATOM 2279 HE2 LYS B 67 3.283 -10.810 -23.218 1.00 0.00 H ATOM 2280 HE3 LYS B 67 1.749 -10.916 -24.114 1.00 0.00 H ATOM 2281 HZ1 LYS B 67 3.224 -13.206 -22.913 1.00 0.00 H ATOM 2282 HZ2 LYS B 67 1.759 -13.307 -23.768 1.00 0.00 H ATOM 2283 HZ3 LYS B 67 3.176 -12.813 -24.565 1.00 0.00 H ATOM 2284 H LYS B 67 0.577 -8.904 -17.787 1.00 0.00 H ATOM 2285 N ARG B 68 -2.036 -8.236 -19.549 1.00 0.33 N ATOM 2286 CA ARG B 68 -3.449 -7.998 -19.965 1.00 0.34 C ATOM 2287 C ARG B 68 -3.770 -6.499 -19.928 1.00 0.34 C ATOM 2288 O ARG B 68 -4.373 -5.970 -20.841 1.00 0.39 O ATOM 2289 CB ARG B 68 -4.382 -8.743 -19.010 1.00 0.35 C ATOM 2290 CG ARG B 68 -5.832 -8.461 -19.407 1.00 0.43 C ATOM 2291 CD ARG B 68 -6.639 -9.759 -19.317 1.00 0.94 C ATOM 2292 NE ARG B 68 -8.091 -9.425 -19.311 1.00 1.59 N ATOM 2293 CZ ARG B 68 -8.956 -10.317 -19.712 1.00 2.24 C ATOM 2294 NH1 ARG B 68 -8.540 -11.526 -19.976 1.00 2.82 N ATOM 2295 NH2 ARG B 68 -10.208 -9.971 -19.835 1.00 2.88 N ATOM 2296 HA ARG B 68 -3.589 -8.361 -20.983 1.00 0.00 H ATOM 2297 HB2 ARG B 68 -4.188 -9.814 -19.071 1.00 0.00 H ATOM 2298 HB3 ARG B 68 -4.209 -8.401 -17.989 1.00 0.00 H ATOM 2299 HG2 ARG B 68 -6.258 -7.719 -18.732 1.00 0.00 H ATOM 2300 HG3 ARG B 68 -5.864 -8.081 -20.428 1.00 0.00 H ATOM 2301 HD2 ARG B 68 -6.381 -10.288 -18.399 1.00 0.00 H ATOM 2302 HD3 ARG B 68 -6.412 -10.391 -20.175 1.00 0.00 H ATOM 2303 HE ARG B 68 -8.413 -8.489 -18.990 1.00 0.00 H ATOM 2304 HH12 ARG B 68 -9.215 -12.250 -20.297 1.00 0.00 H ATOM 2305 HH11 ARG B 68 -7.534 -11.765 -19.866 1.00 0.00 H ATOM 2306 HH22 ARG B 68 -10.911 -10.668 -20.153 1.00 0.00 H ATOM 2307 HH21 ARG B 68 -10.503 -8.998 -19.615 1.00 0.00 H ATOM 2308 H ARG B 68 -1.817 -8.510 -18.570 1.00 0.00 H ATOM 2309 N ALA B 69 -3.358 -5.849 -18.875 1.00 0.30 N ATOM 2310 CA ALA B 69 -3.630 -4.386 -18.765 1.00 0.32 C ATOM 2311 C ALA B 69 -2.795 -3.618 -19.796 1.00 0.38 C ATOM 2312 O ALA B 69 -3.136 -2.516 -20.178 1.00 0.42 O ATOM 2313 CB ALA B 69 -3.270 -3.911 -17.358 1.00 0.29 C ATOM 2314 HA ALA B 69 -4.687 -4.201 -18.957 1.00 0.00 H ATOM 2315 HB1 ALA B 69 -3.873 -4.451 -16.628 1.00 0.00 H ATOM 2316 HB2 ALA B 69 -2.213 -4.102 -17.171 1.00 0.00 H ATOM 2317 HB3 ALA B 69 -3.468 -2.842 -17.275 1.00 0.00 H ATOM 2318 H ALA B 69 -2.845 -6.346 -18.119 1.00 0.00 H ATOM 2319 N GLU B 70 -1.718 -4.218 -20.223 1.00 0.43 N ATOM 2320 CA GLU B 70 -0.851 -3.541 -21.229 1.00 0.50 C ATOM 2321 C GLU B 70 -1.407 -3.762 -22.638 1.00 0.55 C ATOM 2322 O GLU B 70 -1.430 -2.857 -23.449 1.00 0.60 O ATOM 2323 CB GLU B 70 0.562 -4.119 -21.139 1.00 0.53 C ATOM 2324 CG GLU B 70 1.471 -3.380 -22.127 1.00 0.66 C ATOM 2325 CD GLU B 70 2.912 -3.862 -21.947 1.00 1.20 C ATOM 2326 OE1 GLU B 70 3.523 -3.402 -20.996 1.00 1.84 O ATOM 2327 OE2 GLU B 70 3.322 -4.665 -22.771 1.00 1.91 O ATOM 2328 HA GLU B 70 -0.828 -2.471 -21.024 1.00 0.00 H ATOM 2329 HB2 GLU B 70 0.944 -3.993 -20.126 1.00 0.00 H ATOM 2330 HB3 GLU B 70 0.539 -5.180 -21.387 1.00 0.00 H ATOM 2331 HG2 GLU B 70 1.143 -3.584 -23.146 1.00 0.00 H ATOM 2332 HG3 GLU B 70 1.419 -2.308 -21.938 1.00 0.00 H ATOM 2333 H GLU B 70 -1.466 -5.161 -19.864 1.00 0.00 H ATOM 2334 N ASN B 71 -1.843 -4.963 -22.901 1.00 0.54 N ATOM 2335 CA ASN B 71 -2.402 -5.263 -24.251 1.00 0.61 C ATOM 2336 C ASN B 71 -3.747 -4.552 -24.437 1.00 0.65 C ATOM 2337 O ASN B 71 -4.142 -4.244 -25.542 1.00 0.81 O ATOM 2338 CB ASN B 71 -2.601 -6.771 -24.385 1.00 0.66 C ATOM 2339 CG ASN B 71 -3.449 -7.062 -25.624 1.00 0.79 C ATOM 2340 OD1 ASN B 71 -4.652 -6.892 -25.619 1.00 1.18 O ATOM 2341 ND2 ASN B 71 -2.865 -7.500 -26.705 1.00 1.45 N ATOM 2342 HA ASN B 71 -1.708 -4.909 -25.014 1.00 0.00 H ATOM 2343 HB2 ASN B 71 -1.631 -7.259 -24.484 1.00 0.00 H ATOM 2344 HB3 ASN B 71 -3.109 -7.152 -23.499 1.00 0.00 H ATOM 2345 HD22 ASN B 71 -1.836 -7.648 -26.716 1.00 0.00 H ATOM 2346 HD21 ASN B 71 -3.429 -7.701 -27.555 1.00 0.00 H ATOM 2347 H ASN B 71 -1.801 -5.706 -22.175 1.00 0.00 H ATOM 2348 N SER B 72 -4.420 -4.307 -23.345 1.00 0.57 N ATOM 2349 CA SER B 72 -5.740 -3.616 -23.438 1.00 0.64 C ATOM 2350 C SER B 72 -5.575 -2.247 -24.105 1.00 0.84 C ATOM 2351 O SER B 72 -6.547 -1.440 -23.983 1.00 1.43 O ATOM 2352 CB SER B 72 -6.310 -3.435 -22.032 1.00 0.65 C ATOM 2353 OG SER B 72 -7.704 -3.644 -22.193 1.00 1.33 O ATOM 2354 HA SER B 72 -6.420 -4.220 -24.039 1.00 0.00 H ATOM 2355 OXT SER B 72 -4.479 -2.047 -24.716 1.00 1.42 O ATOM 2356 HB2 SER B 72 -6.110 -2.430 -21.659 1.00 0.00 H ATOM 2357 HB3 SER B 72 -5.886 -4.167 -21.345 1.00 0.00 H ATOM 2358 HG SER B 72 -8.065 -2.977 -22.830 1.00 0.00 H ATOM 2359 H SER B 72 -4.040 -4.591 -22.419 1.00 0.00 H TER 2360 SER B 72 HETATM 2361 C ACE A 1 7.771 18.634 -0.148 1.00 0.18 C HETATM 2362 O ACE A 1 8.409 17.762 -0.731 1.00 -0.40 O HETATM 2363 CH3 ACE A 1 6.998 18.297 1.122 1.00 0.03 C HETATM 2364 H1 ACE A 1 6.494 19.201 1.495 1.00 0.05 H HETATM 2365 H2 ACE A 1 7.694 17.923 1.887 1.00 0.05 H HETATM 2366 H3 ACE A 1 6.247 17.524 0.900 1.00 0.05 H HETATM 2367 N ACE A 1 7.708 19.905 -0.565 1.00 -0.27 N HETATM 2368 CA ACE A 1 8.323 20.420 -1.787 1.00 0.13 C HETATM 2369 C ACE A 1 9.808 20.061 -1.886 1.00 0.20 C HETATM 2370 O ACE A 1 10.303 19.732 -2.962 1.00 -0.39 O HETATM 2371 N ACE A 1 10.506 20.126 -0.747 1.00 -0.26 N HETATM 2372 CA ACE A 1 11.937 19.885 -0.606 1.00 0.14 C HETATM 2373 C ACE A 1 12.351 18.452 -0.971 1.00 0.21 C HETATM 2374 O ACE A 1 13.543 18.189 -1.116 1.00 -0.39 O HETATM 2375 N ACE A 1 11.385 17.536 -1.125 1.00 -0.26 N HETATM 2376 CA ACE A 1 11.597 16.157 -1.547 1.00 0.14 C HETATM 2377 C ACE A 1 12.387 16.050 -2.855 1.00 0.21 C HETATM 2378 O ACE A 1 13.122 15.081 -3.032 1.00 -0.39 O HETATM 2379 N ACE A 1 12.238 17.023 -3.764 1.00 -0.26 N HETATM 2380 CA ACE A 1 12.860 17.027 -5.071 1.00 0.14 C HETATM 2381 C ACE A 1 14.384 17.135 -4.981 1.00 0.21 C HETATM 2382 O ACE A 1 14.982 17.129 -3.906 1.00 -0.39 O HETATM 2383 N ACE A 1 14.993 17.249 -6.157 1.00 -0.26 N HETATM 2384 CA ACE A 1 16.417 17.444 -6.362 1.00 0.14 C HETATM 2385 C ACE A 1 16.601 18.394 -7.539 1.00 0.21 C HETATM 2386 O ACE A 1 15.891 18.292 -8.538 1.00 -0.39 O HETATM 2387 N ACE A 1 17.560 19.317 -7.420 1.00 -0.26 N HETATM 2388 CA ACE A 1 17.924 20.257 -8.471 1.00 0.14 C HETATM 2389 C ACE A 1 18.787 19.540 -9.514 1.00 0.20 C HETATM 2390 O ACE A 1 19.986 19.794 -9.620 1.00 -0.39 O HETATM 2391 N6 ACE A 1 18.167 18.637 -10.283 1.00 -0.28 N HETATM 2392 C6 ACE A 1 18.849 17.830 -11.282 1.00 0.03 C HETATM 2393 C5 ACE A 1 17.851 16.972 -12.067 1.00 -0.03 C HETATM 2394 C4 ACE A 1 17.108 15.989 -11.156 1.00 -0.05 C HETATM 2395 C3 ACE A 1 16.182 15.087 -11.980 1.00 -0.04 C HETATM 2396 C2 ACE A 1 15.335 14.189 -11.070 1.00 0.04 C HETATM 2397 C1 ACE A 1 14.392 15.000 -10.187 1.00 0.18 C HETATM 2398 O1 ACE A 1 14.521 14.984 -8.965 1.00 -0.40 O HETATM 2399 N ACE A 1 13.452 15.709 -10.822 1.00 -0.27 N HETATM 2400 CA ACE A 1 12.517 16.608 -10.166 1.00 0.13 C HETATM 2401 C ACE A 1 11.080 16.267 -10.578 1.00 0.21 C HETATM 2402 O ACE A 1 10.729 16.435 -11.745 1.00 -0.39 O HETATM 2403 N ACE A 1 10.239 15.787 -9.644 1.00 -0.25 N HETATM 2404 CA ACE A 1 8.807 15.585 -9.838 1.00 0.13 C HETATM 2405 C ACE A 1 8.065 16.865 -10.266 1.00 0.21 C HETATM 2406 O ACE A 1 8.681 17.918 -10.427 1.00 -0.39 O HETATM 2407 N ACE A 1 6.738 16.789 -10.457 1.00 -0.25 N HETATM 2408 CA ACE A 1 5.934 17.855 -11.029 1.00 0.13 C HETATM 2409 C ACE A 1 6.031 19.220 -10.355 1.00 0.20 C HETATM 2410 O ACE A 1 6.093 19.323 -9.130 1.00 -0.39 O HETATM 2411 N ACE A 1 6.020 20.256 -11.202 1.00 -0.26 N HETATM 2412 CA ACE A 1 5.895 21.660 -10.830 1.00 0.13 C HETATM 2413 C ACE A 1 4.496 22.134 -11.258 1.00 0.20 C HETATM 2414 O ACE A 1 4.286 23.308 -11.558 1.00 -0.39 O HETATM 2415 N ACE A 1 3.548 21.188 -11.283 1.00 -0.26 N HETATM 2416 CA ACE A 1 2.158 21.284 -11.703 1.00 0.14 C HETATM 2417 C ACE A 1 1.450 20.135 -10.992 1.00 0.21 C HETATM 2418 O ACE A 1 2.116 19.178 -10.599 1.00 -0.39 O HETATM 2419 N ACE A 1 0.127 20.190 -10.815 1.00 -0.26 N HETATM 2420 CA ACE A 1 -0.562 19.099 -10.142 1.00 0.13 C HETATM 2421 C ACE A 1 -2.068 19.096 -10.390 1.00 0.20 C HETATM 2422 O ACE A 1 -2.820 19.867 -9.799 1.00 -0.39 O HETATM 2423 N ACE A 1 -2.486 18.192 -11.280 1.00 -0.26 N HETATM 2424 CA ACE A 1 -3.872 17.852 -11.553 1.00 0.14 C HETATM 2425 C ACE A 1 -3.876 16.361 -11.897 1.00 0.21 C HETATM 2426 O ACE A 1 -4.463 15.936 -12.889 1.00 -0.39 O HETATM 2427 N ACE A 1 -3.187 15.574 -11.059 1.00 -0.26 N HETATM 2428 CA ACE A 1 -2.909 14.161 -11.267 1.00 0.14 C HETATM 2429 C ACE A 1 -3.304 13.404 -9.993 1.00 0.21 C HETATM 2430 O ACE A 1 -2.517 12.622 -9.462 1.00 -0.39 O HETATM 2431 N ACE A 1 -4.524 13.658 -9.502 1.00 -0.26 N HETATM 2432 CA ACE A 1 -5.022 13.180 -8.218 1.00 0.15 C HETATM 2433 C ACE A 1 -6.146 12.152 -8.413 1.00 0.21 C HETATM 2434 O ACE A 1 -7.318 12.514 -8.326 1.00 -0.39 O HETATM 2435 N ACE A 1 -5.819 10.874 -8.672 1.00 -0.25 N HETATM 2436 CA ACE A 1 -6.798 9.807 -8.829 1.00 0.13 C HETATM 2437 C ACE A 1 -7.434 9.458 -7.479 1.00 0.20 C HETATM 2438 O ACE A 1 -6.887 9.770 -6.422 1.00 -0.39 O HETATM 2439 N ACE A 1 -8.597 8.805 -7.506 1.00 -0.30 N HETATM 2440 H118 ACE A 1 -9.050 8.556 -6.650 1.00 0.18 H HETATM 2441 H119 ACE A 1 -9.015 8.565 -8.382 1.00 0.18 H HETATM 2442 CB ACE A 1 -6.011 8.625 -9.399 1.00 -0.01 C HETATM 2443 CG ACE A 1 -4.628 8.831 -8.793 1.00 -0.03 C HETATM 2444 CD ACE A 1 -4.475 10.346 -8.816 1.00 0.04 C HETATM 2445 H116 ACE A 1 -3.839 10.681 -7.983 1.00 0.05 H HETATM 2446 H117 ACE A 1 -4.034 10.673 -9.769 1.00 0.05 H HETATM 2447 H114 ACE A 1 -3.852 8.345 -9.402 1.00 0.03 H HETATM 2448 H115 ACE A 1 -4.584 8.443 -7.764 1.00 0.03 H HETATM 2449 H112 ACE A 1 -5.974 8.664 -10.498 1.00 0.03 H HETATM 2450 H113 ACE A 1 -6.446 7.666 -9.081 1.00 0.03 H HETATM 2451 H111 ACE A 1 -7.588 10.112 -9.531 1.00 0.08 H HETATM 2452 CB ACE A 1 -5.505 14.384 -7.401 1.00 0.08 C HETATM 2453 OG ACE A 1 -4.434 15.278 -7.175 1.00 -0.39 O HETATM 2454 H110 ACE A 1 -4.744 16.020 -6.668 1.00 0.21 H HETATM 2455 H108 ACE A 1 -5.897 14.034 -6.435 1.00 0.06 H HETATM 2456 H109 ACE A 1 -6.302 14.903 -7.954 1.00 0.06 H HETATM 2457 H107 ACE A 1 -4.198 12.693 -7.677 1.00 0.08 H HETATM 2458 H106 ACE A 1 -5.139 14.217 -10.058 1.00 0.19 H HETATM 2459 CB ACE A 1 -1.409 13.990 -11.579 1.00 0.02 C HETATM 2460 CG ACE A 1 -0.790 15.039 -12.491 1.00 -0.05 C HETATM 2461 CD1 ACE A 1 -1.293 15.250 -13.790 1.00 -0.07 C HETATM 2462 CE1 ACE A 1 -0.678 16.195 -14.631 1.00 -0.04 C HETATM 2463 CZ ACE A 1 0.406 16.962 -14.167 1.00 0.08 C HETATM 2464 CE2 ACE A 1 0.893 16.772 -12.864 1.00 -0.04 C HETATM 2465 CD2 ACE A 1 0.298 15.811 -12.031 1.00 -0.07 C HETATM 2466 H102 ACE A 1 0.677 15.661 -11.027 1.00 0.05 H HETATM 2467 H104 ACE A 1 1.725 17.365 -12.502 1.00 0.05 H HETATM 2468 OH ACE A 1 0.987 17.893 -14.978 1.00 -0.34 O HETATM 2469 H105 ACE A 1 0.545 17.898 -15.819 1.00 0.25 H HETATM 2470 H103 ACE A 1 -1.042 16.333 -15.643 1.00 0.05 H HETATM 2471 H101 ACE A 1 -2.150 14.686 -14.140 1.00 0.05 H HETATM 2472 H99 ACE A 1 -1.275 13.008 -12.057 1.00 0.05 H HETATM 2473 H100 ACE A 1 -0.863 14.011 -10.624 1.00 0.05 H HETATM 2474 H98 ACE A 1 -3.501 13.784 -12.114 1.00 0.08 H HETATM 2475 H97 ACE A 1 -2.835 15.992 -10.222 1.00 0.19 H HETATM 2476 CB ACE A 1 -4.428 18.742 -12.674 1.00 0.04 C HETATM 2477 CG ACE A 1 -5.915 18.488 -12.925 1.00 0.04 C HETATM 2478 OD1 ACE A 1 -6.691 18.647 -11.958 1.00 -0.57 O HETATM 2479 OD2 ACE A 1 -6.253 18.139 -14.077 1.00 -0.57 O HETATM 2480 H95 ACE A 1 -3.872 18.535 -13.600 1.00 0.05 H HETATM 2481 H96 ACE A 1 -4.291 19.796 -12.391 1.00 0.05 H HETATM 2482 H94 ACE A 1 -4.480 18.015 -10.651 1.00 0.08 H HETATM 2483 H93 ACE A 1 -1.785 17.708 -11.803 1.00 0.19 H HETATM 2484 CB ACE A 1 -0.198 19.039 -8.652 1.00 -0.00 C HETATM 2485 CG ACE A 1 -0.285 20.394 -7.935 1.00 0.00 C HETATM 2486 CD ACE A 1 0.062 20.256 -6.458 1.00 0.04 C HETATM 2487 OE1 ACE A 1 -0.864 19.933 -5.683 1.00 -0.57 O HETATM 2488 OE2 ACE A 1 1.248 20.475 -6.128 1.00 -0.57 O HETATM 2489 H91 ACE A 1 -1.309 20.785 -8.028 1.00 0.04 H HETATM 2490 H92 ACE A 1 0.420 21.095 -8.406 1.00 0.04 H HETATM 2491 H89 ACE A 1 0.833 18.665 -8.562 1.00 0.03 H HETATM 2492 H90 ACE A 1 -0.886 18.340 -8.155 1.00 0.03 H HETATM 2493 H88 ACE A 1 -0.180 18.170 -10.591 1.00 0.08 H HETATM 2494 H87 ACE A 1 -0.390 20.980 -11.145 1.00 0.19 H HETATM 2495 CB ACE A 1 2.039 21.065 -13.218 1.00 0.04 C HETATM 2496 CG ACE A 1 2.800 22.108 -14.032 1.00 0.04 C HETATM 2497 OD1 ACE A 1 2.260 23.227 -14.170 1.00 -0.57 O HETATM 2498 OD2 ACE A 1 3.909 21.767 -14.500 1.00 -0.57 O HETATM 2499 H85 ACE A 1 0.976 21.110 -13.496 1.00 0.05 H HETATM 2500 H86 ACE A 1 2.440 20.070 -13.461 1.00 0.05 H HETATM 2501 H84 ACE A 1 1.727 22.256 -11.422 1.00 0.08 H HETATM 2502 H83 ACE A 1 3.837 20.284 -10.967 1.00 0.19 H HETATM 2503 CB ACE A 1 7.009 22.467 -11.504 1.00 -0.02 C HETATM 2504 H80 ACE A 1 6.915 23.526 -11.224 1.00 0.03 H HETATM 2505 H81 ACE A 1 6.924 22.368 -12.596 1.00 0.03 H HETATM 2506 H82 ACE A 1 7.987 22.086 -11.176 1.00 0.03 H HETATM 2507 H79 ACE A 1 5.993 21.764 -9.739 1.00 0.08 H HETATM 2508 H78 ACE A 1 6.105 20.049 -12.177 1.00 0.19 H HETATM 2509 CB ACE A 1 4.489 17.368 -10.965 1.00 -0.01 C HETATM 2510 CG ACE A 1 4.602 15.854 -10.940 1.00 -0.03 C HETATM 2511 CD ACE A 1 5.912 15.621 -10.204 1.00 0.04 C HETATM 2512 H76 ACE A 1 5.728 15.512 -9.125 1.00 0.05 H HETATM 2513 H77 ACE A 1 6.407 14.715 -10.585 1.00 0.05 H HETATM 2514 H74 ACE A 1 4.643 15.444 -11.960 1.00 0.03 H HETATM 2515 H75 ACE A 1 3.758 15.403 -10.397 1.00 0.03 H HETATM 2516 H72 ACE A 1 3.926 17.702 -11.849 1.00 0.03 H HETATM 2517 H73 ACE A 1 3.994 17.736 -10.055 1.00 0.03 H HETATM 2518 H71 ACE A 1 6.234 17.983 -12.079 1.00 0.08 H HETATM 2519 CB ACE A 1 8.301 15.030 -8.500 1.00 -0.01 C HETATM 2520 CG ACE A 1 9.518 14.297 -7.961 1.00 -0.03 C HETATM 2521 CD ACE A 1 10.636 15.254 -8.353 1.00 0.04 C HETATM 2522 H69 ACE A 1 10.730 16.063 -7.613 1.00 0.05 H HETATM 2523 H70 ACE A 1 11.593 14.718 -8.434 1.00 0.05 H HETATM 2524 H67 ACE A 1 9.642 13.315 -8.440 1.00 0.03 H HETATM 2525 H68 ACE A 1 9.461 14.169 -6.870 1.00 0.03 H HETATM 2526 H65 ACE A 1 7.457 14.341 -8.650 1.00 0.03 H HETATM 2527 H66 ACE A 1 7.995 15.842 -7.824 1.00 0.03 H HETATM 2528 H64 ACE A 1 8.653 14.832 -10.625 1.00 0.08 H HETATM 2529 CB ACE A 1 12.880 18.072 -10.461 1.00 -0.00 C HETATM 2530 CG ACE A 1 13.171 18.412 -11.929 1.00 -0.00 C HETATM 2531 SD ACE A 1 13.537 20.164 -12.229 1.00 -0.16 S HETATM 2532 CE ACE A 1 15.094 20.352 -11.324 1.00 -0.02 C HETATM 2533 H61 ACE A 1 15.449 21.389 -11.416 1.00 0.03 H HETATM 2534 H62 ACE A 1 15.847 19.668 -11.743 1.00 0.03 H HETATM 2535 H63 ACE A 1 14.932 20.113 -10.262 1.00 0.03 H HETATM 2536 H59 ACE A 1 12.291 18.136 -12.528 1.00 0.04 H HETATM 2537 H60 ACE A 1 14.037 17.818 -12.255 1.00 0.04 H HETATM 2538 H57 ACE A 1 13.777 18.321 -9.874 1.00 0.03 H HETATM 2539 H58 ACE A 1 12.039 18.700 -10.131 1.00 0.03 H HETATM 2540 H56 ACE A 1 12.600 16.456 -9.080 1.00 0.08 H HETATM 2541 H55 ACE A 1 13.388 15.614 -11.815 1.00 0.19 H HETATM 2542 H44 ACE A 1 14.739 13.509 -11.697 1.00 0.05 H HETATM 2543 H45 ACE A 1 16.006 13.601 -10.427 1.00 0.05 H HETATM 2544 H46 ACE A 1 15.514 15.716 -12.587 1.00 0.03 H HETATM 2545 H47 ACE A 1 16.792 14.455 -12.642 1.00 0.03 H HETATM 2546 H48 ACE A 1 17.841 15.365 -10.623 1.00 0.03 H HETATM 2547 H49 ACE A 1 16.508 16.554 -10.427 1.00 0.03 H HETATM 2548 H50 ACE A 1 17.117 17.633 -12.552 1.00 0.03 H HETATM 2549 H51 ACE A 1 18.396 16.404 -12.835 1.00 0.03 H HETATM 2550 H52 ACE A 1 19.380 18.494 -11.980 1.00 0.05 H HETATM 2551 H53 ACE A 1 19.573 17.172 -10.780 1.00 0.05 H HETATM 2552 H54 ACE A 1 17.182 18.511 -10.164 1.00 0.19 H HETATM 2553 CB ACE A 1 18.649 21.463 -7.858 1.00 0.04 C HETATM 2554 CG ACE A 1 17.748 22.235 -6.897 1.00 0.04 C HETATM 2555 OD1 ACE A 1 17.048 23.149 -7.384 1.00 -0.57 O HETATM 2556 OD2 ACE A 1 17.776 21.896 -5.693 1.00 -0.57 O HETATM 2557 H42 ACE A 1 18.967 22.137 -8.667 1.00 0.05 H HETATM 2558 H43 ACE A 1 19.533 21.106 -7.309 1.00 0.05 H HETATM 2559 H41 ACE A 1 17.008 20.616 -8.963 1.00 0.08 H HETATM 2560 H40 ACE A 1 18.059 19.365 -6.555 1.00 0.19 H HETATM 2561 CB ACE A 1 17.115 16.106 -6.643 1.00 0.04 C HETATM 2562 CG ACE A 1 17.102 15.186 -5.426 1.00 0.04 C HETATM 2563 OD1 ACE A 1 17.885 15.470 -4.493 1.00 -0.57 O HETATM 2564 OD2 ACE A 1 16.314 14.217 -5.447 1.00 -0.57 O HETATM 2565 H38 ACE A 1 18.159 16.303 -6.927 1.00 0.05 H HETATM 2566 H39 ACE A 1 16.598 15.603 -7.473 1.00 0.05 H HETATM 2567 H37 ACE A 1 16.857 17.892 -5.459 1.00 0.08 H HETATM 2568 H36 ACE A 1 14.419 17.196 -6.974 1.00 0.19 H HETATM 2569 CB ACE A 1 12.254 18.166 -5.915 1.00 0.02 C HETATM 2570 CG ACE A 1 12.943 19.520 -5.802 1.00 -0.04 C HETATM 2571 CD1 ACE A 1 13.185 20.103 -4.543 1.00 -0.06 C HETATM 2572 CE1 ACE A 1 13.911 21.302 -4.445 1.00 -0.07 C HETATM 2573 CZ ACE A 1 14.415 21.916 -5.604 1.00 -0.07 C HETATM 2574 CE2 ACE A 1 14.185 21.335 -6.862 1.00 -0.07 C HETATM 2575 CD2 ACE A 1 13.449 20.142 -6.961 1.00 -0.06 C HETATM 2576 H32 ACE A 1 13.270 19.698 -7.934 1.00 0.06 H HETATM 2577 H34 ACE A 1 14.575 21.807 -7.756 1.00 0.06 H HETATM 2578 H35 ACE A 1 14.981 22.837 -5.527 1.00 0.06 H HETATM 2579 H33 ACE A 1 14.082 21.754 -3.475 1.00 0.06 H HETATM 2580 H31 ACE A 1 12.809 19.625 -3.646 1.00 0.06 H HETATM 2581 H29 ACE A 1 11.207 18.294 -5.604 1.00 0.05 H HETATM 2582 H30 ACE A 1 12.289 17.858 -6.970 1.00 0.05 H HETATM 2583 H28 ACE A 1 12.624 16.073 -5.564 1.00 0.08 H HETATM 2584 H27 ACE A 1 11.657 17.800 -3.523 1.00 0.19 H HETATM 2585 CB ACE A 1 10.230 15.483 -1.694 1.00 0.04 C HETATM 2586 CG ACE A 1 10.320 14.069 -2.259 1.00 0.04 C HETATM 2587 OD1 ACE A 1 10.725 13.172 -1.488 1.00 -0.57 O HETATM 2588 OD2 ACE A 1 9.982 13.914 -3.454 1.00 -0.57 O HETATM 2589 H25 ACE A 1 9.610 16.091 -2.369 1.00 0.05 H HETATM 2590 H26 ACE A 1 9.755 15.435 -0.703 1.00 0.05 H HETATM 2591 H24 ACE A 1 12.167 15.638 -0.762 1.00 0.08 H HETATM 2592 H23 ACE A 1 10.445 17.821 -0.936 1.00 0.19 H HETATM 2593 CB ACE A 1 12.352 20.225 0.829 1.00 0.00 C HETATM 2594 CG ACE A 1 11.930 21.585 1.301 1.00 -0.04 C HETATM 2595 CD1 ACE A 1 12.637 22.726 1.146 1.00 0.02 C HETATM 2596 NE1 ACE A 1 11.926 23.794 1.654 1.00 -0.29 N HETATM 2597 CE2 ACE A 1 10.707 23.388 2.157 1.00 0.06 C HETATM 2598 CD2 ACE A 1 10.683 21.978 1.950 1.00 -0.02 C HETATM 2599 CE3 ACE A 1 9.526 21.287 2.374 1.00 -0.07 C HETATM 2600 CZ3 ACE A 1 8.446 21.970 2.965 1.00 -0.08 C HETATM 2601 CH2 ACE A 1 8.501 23.361 3.156 1.00 -0.08 C HETATM 2602 CZ2 ACE A 1 9.640 24.077 2.754 1.00 -0.04 C HETATM 2603 H20 ACE A 1 9.694 25.149 2.903 1.00 0.05 H HETATM 2604 H22 ACE A 1 7.666 23.880 3.613 1.00 0.05 H HETATM 2605 H21 ACE A 1 7.566 21.419 3.275 1.00 0.05 H HETATM 2606 H19 ACE A 1 9.469 20.213 2.242 1.00 0.05 H HETATM 2607 H18 ACE A 1 12.262 24.768 1.657 1.00 0.22 H HETATM 2608 H17 ACE A 1 13.623 22.793 0.688 1.00 0.08 H HETATM 2609 H15 ACE A 1 13.449 20.166 0.891 1.00 0.04 H HETATM 2610 H16 ACE A 1 11.906 19.476 1.500 1.00 0.04 H HETATM 2611 H14 ACE A 1 12.464 20.566 -1.291 1.00 0.08 H HETATM 2612 H13 ACE A 1 10.001 20.361 0.083 1.00 0.19 H HETATM 2613 CB ACE A 1 8.145 21.944 -1.847 1.00 -0.00 C HETATM 2614 CG ACE A 1 6.672 22.352 -1.949 1.00 -0.00 C HETATM 2615 SD ACE A 1 6.412 24.144 -2.024 1.00 -0.16 S HETATM 2616 CE ACE A 1 4.603 24.191 -2.110 1.00 -0.02 C HETATM 2617 H10 ACE A 1 4.266 25.237 -2.162 1.00 0.03 H HETATM 2618 H11 ACE A 1 4.181 23.714 -1.213 1.00 0.03 H HETATM 2619 H12 ACE A 1 4.264 23.651 -3.006 1.00 0.03 H HETATM 2620 H8 ACE A 1 6.142 21.962 -1.068 1.00 0.04 H HETATM 2621 H9 ACE A 1 6.250 21.902 -2.860 1.00 0.04 H HETATM 2622 H6 ACE A 1 8.681 22.329 -2.727 1.00 0.03 H HETATM 2623 H7 ACE A 1 8.573 22.387 -0.935 1.00 0.03 H HETATM 2624 H5 ACE A 1 7.805 19.971 -2.647 1.00 0.08 H HETATM 2625 H4 ACE A 1 7.201 20.552 0.004 1.00 0.19 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 98 97 547 CONECT 125 124 793 CONECT 547 98 546 CONECT 793 125 792 CONECT 1181 1182 1190 1191 1192 CONECT 1190 1181 CONECT 1191 1181 CONECT 1192 1181 CONECT 1278 1277 1727 CONECT 1305 1304 1973 CONECT 1727 1278 1726 CONECT 1973 1305 1972 CONECT 2361 2362 2363 2367 CONECT 2362 2361 CONECT 2363 2361 2364 2365 2366 CONECT 2364 2363 CONECT 2365 2363 CONECT 2366 2363 CONECT 2367 2361 2368 2625 CONECT 2368 2367 2369 2613 2624 CONECT 2369 2368 2370 2371 CONECT 2370 2369 CONECT 2371 2369 2372 2612 CONECT 2372 2371 2373 2593 2611 CONECT 2373 2372 2374 2375 CONECT 2374 2373 CONECT 2375 2373 2376 2592 CONECT 2376 2375 2377 2585 2591 CONECT 2377 2376 2378 2379 CONECT 2378 2377 CONECT 2379 2377 2380 2584 CONECT 2380 2379 2381 2569 2583 CONECT 2381 2380 2382 2383 CONECT 2382 2381 CONECT 2383 2381 2384 2568 CONECT 2384 2383 2385 2561 2567 CONECT 2385 2384 2386 2387 CONECT 2386 2385 CONECT 2387 2385 2388 2560 CONECT 2388 2387 2389 2553 2559 CONECT 2389 2388 2390 2391 CONECT 2390 2389 CONECT 2391 2389 2392 2552 CONECT 2392 2391 2393 2550 2551 CONECT 2393 2392 2394 2548 2549 CONECT 2394 2393 2395 2546 2547 CONECT 2395 2394 2396 2544 2545 CONECT 2396 2395 2397 2542 2543 CONECT 2397 2396 2398 2399 CONECT 2398 2397 CONECT 2399 2397 2400 2541 CONECT 2400 2399 2401 2529 2540 CONECT 2401 2400 2402 2403 CONECT 2402 2401 CONECT 2403 2401 2404 2521 CONECT 2404 2403 2405 2519 2528 CONECT 2405 2404 2406 2407 CONECT 2406 2405 CONECT 2407 2405 2408 2511 CONECT 2408 2407 2409 2509 2518 CONECT 2409 2408 2410 2411 CONECT 2410 2409 CONECT 2411 2409 2412 2508 CONECT 2412 2411 2413 2503 2507 CONECT 2413 2412 2414 2415 CONECT 2414 2413 CONECT 2415 2413 2416 2502 CONECT 2416 2415 2417 2495 2501 CONECT 2417 2416 2418 2419 CONECT 2418 2417 CONECT 2419 2417 2420 2494 CONECT 2420 2419 2421 2484 2493 CONECT 2421 2420 2422 2423 CONECT 2422 2421 CONECT 2423 2421 2424 2483 CONECT 2424 2423 2425 2476 2482 CONECT 2425 2424 2426 2427 CONECT 2426 2425 CONECT 2427 2425 2428 2475 CONECT 2428 2427 2429 2459 2474 CONECT 2429 2428 2430 2431 CONECT 2430 2429 CONECT 2431 2429 2432 2458 CONECT 2432 2431 2433 2452 2457 CONECT 2433 2432 2434 2435 CONECT 2434 2433 CONECT 2435 2433 2436 2444 CONECT 2436 2435 2437 2442 2451 CONECT 2437 2436 2438 2439 CONECT 2438 2437 CONECT 2439 2437 2440 2441 CONECT 2440 2439 CONECT 2441 2439 CONECT 2442 2436 2443 2449 2450 CONECT 2443 2442 2444 2447 2448 CONECT 2444 2435 2443 2445 2446 CONECT 2445 2444 CONECT 2446 2444 CONECT 2447 2443 CONECT 2448 2443 CONECT 2449 2442 CONECT 2450 2442 CONECT 2451 2436 CONECT 2452 2432 2453 2455 2456 CONECT 2453 2452 2454 CONECT 2454 2453 CONECT 2455 2452 CONECT 2456 2452 CONECT 2457 2432 CONECT 2458 2431 CONECT 2459 2428 2460 2472 2473 CONECT 2460 2459 2461 2465 CONECT 2461 2460 2462 2471 CONECT 2462 2461 2463 2470 CONECT 2463 2462 2464 2468 CONECT 2464 2463 2465 2467 CONECT 2465 2460 2464 2466 CONECT 2466 2465 CONECT 2467 2464 CONECT 2468 2463 2469 CONECT 2469 2468 CONECT 2470 2462 CONECT 2471 2461 CONECT 2472 2459 CONECT 2473 2459 CONECT 2474 2428 CONECT 2475 2427 CONECT 2476 2424 2477 2480 2481 CONECT 2477 2476 2478 2479 CONECT 2478 2477 CONECT 2479 2477 CONECT 2480 2476 CONECT 2481 2476 CONECT 2482 2424 CONECT 2483 2423 CONECT 2484 2420 2485 2491 2492 CONECT 2485 2484 2486 2489 2490 CONECT 2486 2485 2487 2488 CONECT 2487 2486 CONECT 2488 2486 CONECT 2489 2485 CONECT 2490 2485 CONECT 2491 2484 CONECT 2492 2484 CONECT 2493 2420 CONECT 2494 2419 CONECT 2495 2416 2496 2499 2500 CONECT 2496 2495 2497 2498 CONECT 2497 2496 CONECT 2498 2496 CONECT 2499 2495 CONECT 2500 2495 CONECT 2501 2416 CONECT 2502 2415 CONECT 2503 2412 2504 2505 2506 CONECT 2504 2503 CONECT 2505 2503 CONECT 2506 2503 CONECT 2507 2412 CONECT 2508 2411 CONECT 2509 2408 2510 2516 2517 CONECT 2510 2509 2511 2514 2515 CONECT 2511 2407 2510 2512 2513 CONECT 2512 2511 CONECT 2513 2511 CONECT 2514 2510 CONECT 2515 2510 CONECT 2516 2509 CONECT 2517 2509 CONECT 2518 2408 CONECT 2519 2404 2520 2526 2527 CONECT 2520 2519 2521 2524 2525 CONECT 2521 2403 2520 2522 2523 CONECT 2522 2521 CONECT 2523 2521 CONECT 2524 2520 CONECT 2525 2520 CONECT 2526 2519 CONECT 2527 2519 CONECT 2528 2404 CONECT 2529 2400 2530 2538 2539 CONECT 2530 2529 2531 2536 2537 CONECT 2531 2530 2532 CONECT 2532 2531 2533 2534 2535 CONECT 2533 2532 CONECT 2534 2532 CONECT 2535 2532 CONECT 2536 2530 CONECT 2537 2530 CONECT 2538 2529 CONECT 2539 2529 CONECT 2540 2400 CONECT 2541 2399 CONECT 2542 2396 CONECT 2543 2396 CONECT 2544 2395 CONECT 2545 2395 CONECT 2546 2394 CONECT 2547 2394 CONECT 2548 2393 CONECT 2549 2393 CONECT 2550 2392 CONECT 2551 2392 CONECT 2552 2391 CONECT 2553 2388 2554 2557 2558 CONECT 2554 2553 2555 2556 CONECT 2555 2554 CONECT 2556 2554 CONECT 2557 2553 CONECT 2558 2553 CONECT 2559 2388 CONECT 2560 2387 CONECT 2561 2384 2562 2565 2566 CONECT 2562 2561 2563 2564 CONECT 2563 2562 CONECT 2564 2562 CONECT 2565 2561 CONECT 2566 2561 CONECT 2567 2384 CONECT 2568 2383 CONECT 2569 2380 2570 2581 2582 CONECT 2570 2569 2571 2575 CONECT 2571 2570 2572 2580 CONECT 2572 2571 2573 2579 CONECT 2573 2572 2574 2578 CONECT 2574 2573 2575 2577 CONECT 2575 2570 2574 2576 CONECT 2576 2575 CONECT 2577 2574 CONECT 2578 2573 CONECT 2579 2572 CONECT 2580 2571 CONECT 2581 2569 CONECT 2582 2569 CONECT 2583 2380 CONECT 2584 2379 CONECT 2585 2376 2586 2589 2590 CONECT 2586 2585 2587 2588 CONECT 2587 2586 CONECT 2588 2586 CONECT 2589 2585 CONECT 2590 2585 CONECT 2591 2376 CONECT 2592 2375 CONECT 2593 2372 2594 2609 2610 CONECT 2594 2593 2595 2598 CONECT 2595 2594 2596 2608 CONECT 2596 2595 2597 2607 CONECT 2597 2596 2598 2602 CONECT 2598 2594 2597 2599 CONECT 2599 2598 2600 2606 CONECT 2600 2599 2601 2605 CONECT 2601 2600 2602 2604 CONECT 2602 2597 2601 2603 CONECT 2603 2602 CONECT 2604 2601 CONECT 2605 2600 CONECT 2606 2599 CONECT 2607 2596 CONECT 2608 2595 CONECT 2609 2593 CONECT 2610 2593 CONECT 2611 2372 CONECT 2612 2371 CONECT 2613 2368 2614 2622 2623 CONECT 2614 2613 2615 2620 2621 CONECT 2615 2614 2616 CONECT 2616 2615 2617 2618 2619 CONECT 2617 2616 CONECT 2618 2616 CONECT 2619 2616 CONECT 2620 2614 CONECT 2621 2614 CONECT 2622 2613 CONECT 2623 2613 CONECT 2624 2368 CONECT 2625 2367 MASTER 0 0 0 0 0 0 0 0 2623 2 281 12 END
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Entry Information
PDB ID
1ilq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
interleukin-8(IL-8)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Ki=13uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Structure Fold.Des. Vol. 7: pp. 157-168
Ligand Properties
Formula
C
9
3
H
1
2
5
N
1
9
O
3
2
S
2
Molecular Weight
2085.230
Exact Mass
2083.820
No. of atoms
271
No. of bonds
277
Polar Surface Area
842.07
LOGP Value
4.89 (
Computed with XLOGP3
)
1.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 32
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 51
No. of Rings: 7
Canonical SMILES
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CO)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)CC(=O)O)C)NC(=O)CCCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)C)CCSC)CC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O
InChI String
InChI=1S/C93H125N19O32S2/c1-48(79(130)101-63(42-74(121)122)86(137)100-56(28-29-72(117)118)81(132)106-64(43-75(123)124)87(138)103-60(39-51-24-26-53(115)27-25-51)84(135)109-67(47-113)92(143)110-33-13-20-68(110)78(94)129)97-90(141)69-21-14-34-111(69)93(144)70-22-15-35-112(70)91(142)58(31-37-146-4)99-71(116)23-9-6-12-32-95-80(131)62(41-73(119)120)105-89(140)66(45-77(127)128)107-83(134)59(38-50-16-7-5-8-17-50)102-88(139)65(44-76(125)126)108-85(136)61(40-52-46-96-55-19-11-10-18-54(52)55)104-82(133)57(30-36-145-3)98-49(2)114/h5,7-8,10-11,16-19,24-27,46,48,56-70,96,113,115H,6,9,12-15,20-23,28-45,47H2,1-4H3,(H2,94,129)(H,95,131)(H,97,141)(H,98,114)(H,99,116)(H,100,137)(H,101,130)(H,102,139)(H,103,138)(H,104,133)(H,105,140)(H,106,132)(H,107,134)(H,108,136)(H,109,135)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)/t48-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P10145
P25024
Entrez Gene ID
NCBI Entrez Gene ID:
3576
3577
ASD
Information of known allosteric effects of PDB entries
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