Browse entries in the PDBbind-CN Database
HEADER 1W4P_COMPLEX COMPND 1W4P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET UM A 3 31 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 38.921 19.350 12.098 1.00 34.50 N ATOM 2 CA LYS A 1 38.055 19.469 10.892 1.00 33.73 C ATOM 3 C LYS A 1 36.839 18.556 11.000 1.00 31.70 C ATOM 4 O LYS A 1 35.797 18.957 11.519 1.00 32.67 O ATOM 5 CB LYS A 1 38.855 19.117 9.633 1.00 35.89 C ATOM 6 CG LYS A 1 40.052 20.023 9.385 1.00 38.39 C ATOM 7 CD LYS A 1 39.622 21.471 9.192 1.00 40.89 C ATOM 8 CE LYS A 1 40.823 22.385 9.003 1.00 42.15 C ATOM 9 NZ LYS A 1 40.415 23.800 8.779 1.00 42.32 N ATOM 10 HA LYS A 1 37.708 20.500 10.825 1.00 0.00 H ATOM 11 HB2 LYS A 1 39.215 18.093 9.731 1.00 0.00 H ATOM 12 HB3 LYS A 1 38.189 19.186 8.773 1.00 0.00 H ATOM 13 HG2 LYS A 1 40.725 19.964 10.240 1.00 0.00 H ATOM 14 HG3 LYS A 1 40.573 19.685 8.489 1.00 0.00 H ATOM 15 HD2 LYS A 1 38.983 21.537 8.311 1.00 0.00 H ATOM 16 HD3 LYS A 1 39.063 21.796 10.070 1.00 0.00 H ATOM 17 HE2 LYS A 1 41.395 22.042 8.141 1.00 0.00 H ATOM 18 HE3 LYS A 1 41.448 22.335 9.895 1.00 0.00 H ATOM 19 HZ1 LYS A 1 39.824 23.858 7.926 1.00 0.00 H ATOM 20 HZ2 LYS A 1 39.874 24.138 9.601 1.00 0.00 H ATOM 21 HZ3 LYS A 1 41.263 24.389 8.655 1.00 0.00 H ATOM 22 HN3 LYS A 1 39.248 18.367 12.193 1.00 0.00 H ATOM 23 HN2 LYS A 1 38.376 19.618 12.942 1.00 0.00 H ATOM 24 HN1 LYS A 1 39.741 19.982 11.998 1.00 0.00 H ATOM 25 N GLU A 2 36.979 17.329 10.507 1.00 28.60 N ATOM 26 CA GLU A 2 35.895 16.354 10.543 1.00 25.06 C ATOM 27 C GLU A 2 35.680 15.845 11.964 1.00 23.36 C ATOM 28 O GLU A 2 36.621 15.402 12.621 1.00 24.14 O ATOM 29 CB GLU A 2 36.218 15.178 9.612 1.00 23.13 C ATOM 30 CG GLU A 2 35.178 14.064 9.619 1.00 19.62 C ATOM 31 CD GLU A 2 35.509 12.942 8.649 1.00 17.67 C ATOM 32 OE1 GLU A 2 36.633 12.398 8.720 1.00 19.17 O ATOM 33 OE2 GLU A 2 34.640 12.597 7.821 1.00 20.53 O ATOM 34 HA GLU A 2 34.980 16.840 10.205 1.00 0.00 H ATOM 35 HB2 GLU A 2 36.301 15.561 8.595 1.00 0.00 H ATOM 36 HB3 GLU A 2 37.174 14.754 9.918 1.00 0.00 H ATOM 37 HG2 GLU A 2 35.119 13.649 10.625 1.00 0.00 H ATOM 38 HG3 GLU A 2 34.212 14.488 9.345 1.00 0.00 H ATOM 39 H GLU A 2 37.889 17.056 10.083 1.00 0.00 H ATOM 40 N THR A 3 34.440 15.917 12.438 1.00 22.62 N ATOM 41 CA THR A 3 34.120 15.447 13.782 1.00 22.25 C ATOM 42 C THR A 3 34.113 13.925 13.795 1.00 22.12 C ATOM 43 O THR A 3 33.919 13.290 12.758 1.00 20.33 O ATOM 44 CB THR A 3 32.731 15.933 14.243 1.00 22.68 C ATOM 45 OG1 THR A 3 31.715 15.302 13.455 1.00 22.29 O ATOM 46 CG2 THR A 3 32.619 17.443 14.092 1.00 23.88 C ATOM 47 HA THR A 3 34.876 15.847 14.458 1.00 0.00 H ATOM 48 HB THR A 3 32.601 15.671 15.293 1.00 0.00 H ATOM 49 HG1 THR A 3 31.774 14.320 13.567 1.00 0.00 H ATOM 50 HG23 THR A 3 33.392 17.925 14.691 1.00 0.00 H ATOM 51 HG21 THR A 3 32.749 17.713 13.044 1.00 0.00 H ATOM 52 HG22 THR A 3 31.636 17.769 14.433 1.00 0.00 H ATOM 53 H THR A 3 33.686 16.314 11.842 1.00 0.00 H ATOM 54 N ALA A 4 34.324 13.347 14.973 1.00 21.17 N ATOM 55 CA ALA A 4 34.336 11.895 15.122 1.00 20.77 C ATOM 56 C ALA A 4 33.004 11.306 14.667 1.00 20.22 C ATOM 57 O ALA A 4 32.962 10.245 14.035 1.00 21.90 O ATOM 58 CB ALA A 4 34.605 11.523 16.575 1.00 20.68 C ATOM 59 HA ALA A 4 35.130 11.484 14.499 1.00 0.00 H ATOM 60 HB1 ALA A 4 35.572 11.923 16.878 1.00 0.00 H ATOM 61 HB2 ALA A 4 33.822 11.943 17.207 1.00 0.00 H ATOM 62 HB3 ALA A 4 34.612 10.438 16.676 1.00 0.00 H ATOM 63 H ALA A 4 34.485 13.944 15.809 1.00 0.00 H ATOM 64 N ALA A 5 31.918 12.002 14.987 1.00 18.75 N ATOM 65 CA ALA A 5 30.583 11.554 14.612 1.00 16.92 C ATOM 66 C ALA A 5 30.436 11.506 13.097 1.00 16.72 C ATOM 67 O ALA A 5 29.910 10.541 12.551 1.00 16.52 O ATOM 68 CB ALA A 5 29.535 12.479 15.210 1.00 17.82 C ATOM 69 HA ALA A 5 30.435 10.548 15.004 1.00 0.00 H ATOM 70 HB1 ALA A 5 29.624 12.472 16.296 1.00 0.00 H ATOM 71 HB2 ALA A 5 29.691 13.492 14.838 1.00 0.00 H ATOM 72 HB3 ALA A 5 28.542 12.134 14.923 1.00 0.00 H ATOM 73 H ALA A 5 32.024 12.889 15.519 1.00 0.00 H ATOM 74 N ALA A 6 30.898 12.555 12.424 1.00 15.51 N ATOM 75 CA ALA A 6 30.820 12.626 10.967 1.00 15.18 C ATOM 76 C ALA A 6 31.713 11.564 10.334 1.00 13.79 C ATOM 77 O ALA A 6 31.372 10.983 9.299 1.00 15.65 O ATOM 78 CB ALA A 6 31.246 14.015 10.489 1.00 14.93 C ATOM 79 HA ALA A 6 29.789 12.443 10.664 1.00 0.00 H ATOM 80 HB1 ALA A 6 30.584 14.765 10.922 1.00 0.00 H ATOM 81 HB2 ALA A 6 32.271 14.208 10.804 1.00 0.00 H ATOM 82 HB3 ALA A 6 31.185 14.058 9.402 1.00 0.00 H ATOM 83 H ALA A 6 31.326 13.345 12.948 1.00 0.00 H ATOM 84 N LYS A 7 32.860 11.318 10.954 1.00 13.86 N ATOM 85 CA LYS A 7 33.790 10.322 10.443 1.00 11.77 C ATOM 86 C LYS A 7 33.155 8.939 10.542 1.00 11.70 C ATOM 87 O LYS A 7 33.342 8.100 9.665 1.00 11.81 O ATOM 88 CB LYS A 7 35.099 10.356 11.234 1.00 12.35 C ATOM 89 CG LYS A 7 36.120 9.329 10.778 1.00 15.53 C ATOM 90 CD LYS A 7 37.434 9.498 11.519 1.00 18.48 C ATOM 91 CE LYS A 7 38.439 8.450 11.092 1.00 20.52 C ATOM 92 NZ LYS A 7 39.738 8.602 11.800 1.00 24.41 N ATOM 93 HA LYS A 7 34.013 10.546 9.400 1.00 0.00 H ATOM 94 HB2 LYS A 7 35.539 11.348 11.128 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.871 10.171 12.284 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.729 8.329 10.969 1.00 0.00 H ATOM 97 HG3 LYS A 7 36.295 9.451 9.709 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.839 10.487 11.306 1.00 0.00 H ATOM 99 HD3 LYS A 7 37.254 9.404 12.590 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.610 8.542 10.019 1.00 0.00 H ATOM 101 HE3 LYS A 7 38.032 7.463 11.310 1.00 0.00 H ATOM 102 HZ1 LYS A 7 40.137 9.539 11.592 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.586 8.508 12.825 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.396 7.864 11.477 1.00 0.00 H ATOM 105 H LYS A 7 33.098 11.845 11.818 1.00 0.00 H ATOM 106 N PHE A 8 32.406 8.699 11.615 1.00 10.36 N ATOM 107 CA PHE A 8 31.745 7.404 11.771 1.00 9.64 C ATOM 108 C PHE A 8 30.731 7.203 10.645 1.00 9.66 C ATOM 109 O PHE A 8 30.653 6.127 10.053 1.00 9.84 O ATOM 110 CB PHE A 8 31.041 7.307 13.134 1.00 9.59 C ATOM 111 CG PHE A 8 30.238 6.040 13.314 1.00 9.83 C ATOM 112 CD1 PHE A 8 28.921 5.962 12.868 1.00 9.67 C ATOM 113 CD2 PHE A 8 30.814 4.915 13.894 1.00 8.85 C ATOM 114 CE1 PHE A 8 28.188 4.786 12.996 1.00 9.13 C ATOM 115 CE2 PHE A 8 30.088 3.725 14.026 1.00 10.77 C ATOM 116 CZ PHE A 8 28.772 3.663 13.575 1.00 10.22 C ATOM 117 HA PHE A 8 32.503 6.622 11.722 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.799 7.349 13.917 1.00 0.00 H ATOM 119 HB3 PHE A 8 30.368 8.159 13.236 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.843 4.960 14.250 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.552 2.850 14.481 1.00 0.00 H ATOM 122 HZ PHE A 8 28.202 2.739 13.675 1.00 0.00 H ATOM 123 HE1 PHE A 8 27.158 4.744 12.643 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.457 6.836 12.411 1.00 0.00 H ATOM 125 H PHE A 8 32.291 9.433 12.343 1.00 0.00 H ATOM 126 N GLU A 9 29.951 8.237 10.346 1.00 10.52 N ATOM 127 CA GLU A 9 28.964 8.129 9.280 1.00 10.36 C ATOM 128 C GLU A 9 29.623 7.879 7.924 1.00 9.72 C ATOM 129 O GLU A 9 29.133 7.077 7.139 1.00 10.30 O ATOM 130 CB GLU A 9 28.097 9.388 9.219 1.00 11.38 C ATOM 131 CG GLU A 9 27.139 9.508 10.397 1.00 13.02 C ATOM 132 CD GLU A 9 26.158 10.647 10.240 1.00 14.40 C ATOM 133 OE1 GLU A 9 25.576 10.777 9.142 1.00 14.25 O ATOM 134 OE2 GLU A 9 25.959 11.402 11.218 1.00 14.77 O ATOM 135 HA GLU A 9 28.331 7.272 9.508 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.751 10.260 9.212 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.514 9.365 8.298 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.580 8.577 10.488 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.721 9.671 11.304 1.00 0.00 H ATOM 140 H GLU A 9 30.046 9.127 10.875 1.00 0.00 H ATOM 141 N ARG A 10 30.738 8.556 7.659 1.00 10.46 N ATOM 142 CA ARG A 10 31.446 8.390 6.387 1.00 10.14 C ATOM 143 C ARG A 10 32.037 6.994 6.254 1.00 9.77 C ATOM 144 O ARG A 10 31.995 6.380 5.183 1.00 11.64 O ATOM 145 CB ARG A 10 32.572 9.427 6.268 1.00 10.79 C ATOM 146 CG ARG A 10 33.533 9.193 5.094 1.00 12.44 C ATOM 147 CD ARG A 10 34.568 10.313 4.976 1.00 13.52 C ATOM 148 NE ARG A 10 35.491 10.395 6.110 1.00 14.93 N ATOM 149 CZ ARG A 10 36.542 9.599 6.290 1.00 15.08 C ATOM 150 NH1 ARG A 10 36.820 8.645 5.411 1.00 14.45 N ATOM 151 NH2 ARG A 10 37.327 9.763 7.348 1.00 16.40 N ATOM 152 HA ARG A 10 30.720 8.536 5.587 1.00 0.00 H ATOM 153 HB2 ARG A 10 32.118 10.410 6.146 1.00 0.00 H ATOM 154 HB3 ARG A 10 33.151 9.408 7.191 1.00 0.00 H ATOM 155 HG2 ARG A 10 34.052 8.247 5.246 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.957 9.146 4.170 1.00 0.00 H ATOM 157 HD2 ARG A 10 34.038 11.262 4.896 1.00 0.00 H ATOM 158 HD3 ARG A 10 35.151 10.146 4.070 1.00 0.00 H ATOM 159 HE ARG A 10 35.312 11.128 6.826 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.643 8.026 5.558 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.215 8.516 4.575 1.00 0.00 H ATOM 162 HH22 ARG A 10 38.148 9.140 7.488 1.00 0.00 H ATOM 163 HH21 ARG A 10 37.121 10.514 8.037 1.00 0.00 H ATOM 164 H ARG A 10 31.114 9.216 8.369 1.00 0.00 H ATOM 165 N GLN A 11 32.596 6.500 7.352 1.00 10.37 N ATOM 166 CA GLN A 11 33.232 5.192 7.367 1.00 11.71 C ATOM 167 C GLN A 11 32.324 3.991 7.579 1.00 11.42 C ATOM 168 O GLN A 11 32.593 2.914 7.046 1.00 13.50 O ATOM 169 CB GLN A 11 34.306 5.150 8.455 1.00 12.19 C ATOM 170 CG GLN A 11 35.561 5.932 8.157 1.00 14.59 C ATOM 171 CD GLN A 11 36.631 5.704 9.207 1.00 18.22 C ATOM 172 OE1 GLN A 11 37.822 5.710 8.902 1.00 20.44 O ATOM 173 NE2 GLN A 11 36.208 5.512 10.455 1.00 18.41 N ATOM 174 HA GLN A 11 33.631 5.094 6.357 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.872 5.548 9.372 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.587 4.108 8.610 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.948 5.622 7.186 1.00 0.00 H ATOM 178 HG3 GLN A 11 35.316 6.994 8.127 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.189 5.515 10.665 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.896 5.359 11.220 1.00 0.00 H ATOM 181 H GLN A 11 32.579 7.064 8.226 1.00 0.00 H ATOM 182 N HIS A 12 31.245 4.160 8.336 1.00 10.97 N ATOM 183 CA HIS A 12 30.414 2.976 8.655 1.00 9.49 C ATOM 184 C HIS A 12 28.935 3.000 8.297 1.00 9.99 C ATOM 185 O HIS A 12 28.228 2.025 8.529 1.00 10.62 O ATOM 186 CB HIS A 12 30.534 2.713 10.150 1.00 9.07 C ATOM 187 CG HIS A 12 31.986 2.518 10.580 1.00 10.02 C ATOM 188 ND1 HIS A 12 32.759 1.465 10.136 1.00 10.13 N ATOM 189 CD2 HIS A 12 32.782 3.252 11.393 1.00 9.82 C ATOM 190 CE1 HIS A 12 33.968 1.558 10.658 1.00 9.08 C ATOM 191 NE2 HIS A 12 34.009 2.635 11.425 1.00 8.98 N ATOM 192 HA HIS A 12 30.817 2.196 8.010 1.00 0.00 H ATOM 193 HB2 HIS A 12 30.117 3.562 10.692 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.970 1.814 10.396 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.502 4.162 11.923 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.792 0.865 10.486 1.00 0.00 H ATOM 197 H HIS A 12 30.990 5.102 8.696 1.00 0.00 H ATOM 198 N MET A 13 28.425 4.093 7.739 1.00 10.05 N ATOM 199 CA MET A 13 27.008 4.153 7.384 1.00 11.74 C ATOM 200 C MET A 13 26.713 4.107 5.887 1.00 13.21 C ATOM 201 O MET A 13 27.281 4.870 5.106 1.00 14.59 O ATOM 202 CB MET A 13 26.364 5.427 7.941 1.00 11.55 C ATOM 203 CG MET A 13 26.245 5.503 9.449 1.00 11.82 C ATOM 204 SD MET A 13 25.179 4.230 10.160 1.00 11.99 S ATOM 205 CE MET A 13 23.666 4.451 9.235 1.00 11.55 C ATOM 206 HA MET A 13 26.586 3.251 7.828 1.00 0.00 H ATOM 207 HB2 MET A 13 26.962 6.276 7.610 1.00 0.00 H ATOM 208 HB3 MET A 13 25.361 5.505 7.522 1.00 0.00 H ATOM 209 HG2 MET A 13 25.839 6.479 9.713 1.00 0.00 H ATOM 210 HG3 MET A 13 27.241 5.397 9.879 1.00 0.00 H ATOM 211 HE1 MET A 13 23.289 5.461 9.394 1.00 0.00 H ATOM 212 HE2 MET A 13 23.865 4.298 8.174 1.00 0.00 H ATOM 213 HE3 MET A 13 22.925 3.728 9.575 1.00 0.00 H ATOM 214 H MET A 13 29.039 4.912 7.553 1.00 0.00 H ATOM 215 N ASP A 14 25.818 3.207 5.493 1.00 14.11 N ATOM 216 CA ASP A 14 25.393 3.113 4.098 1.00 13.46 C ATOM 217 C ASP A 14 23.972 2.573 4.055 1.00 13.19 C ATOM 218 O ASP A 14 23.743 1.413 3.718 1.00 11.30 O ATOM 219 CB ASP A 14 26.312 2.211 3.273 1.00 14.36 C ATOM 220 CG ASP A 14 25.933 2.208 1.802 1.00 18.38 C ATOM 221 OD1 ASP A 14 25.387 3.231 1.341 1.00 21.57 O ATOM 222 OD2 ASP A 14 26.182 1.203 1.108 1.00 20.00 O ATOM 223 HA ASP A 14 25.441 4.110 3.660 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.337 2.567 3.372 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.244 1.193 3.657 1.00 0.00 H ATOM 226 H ASP A 14 25.411 2.555 6.193 1.00 0.00 H ATOM 227 N SER A 15 23.025 3.439 4.400 1.00 14.39 N ATOM 228 CA SER A 15 21.609 3.091 4.439 1.00 18.43 C ATOM 229 C SER A 15 20.950 2.942 3.067 1.00 21.56 C ATOM 230 O SER A 15 19.857 2.389 2.965 1.00 23.22 O ATOM 231 CB SER A 15 20.843 4.149 5.239 1.00 18.04 C ATOM 232 OG SER A 15 21.497 4.455 6.455 1.00 17.62 O ATOM 233 HA SER A 15 21.562 2.110 4.912 1.00 0.00 H ATOM 234 HB2 SER A 15 19.844 3.772 5.459 1.00 0.00 H ATOM 235 HB3 SER A 15 20.764 5.057 4.641 1.00 0.00 H ATOM 236 HG SER A 15 21.567 3.635 7.006 1.00 0.00 H ATOM 237 H SER A 15 23.306 4.408 4.653 1.00 0.00 H ATOM 238 N SER A 16 21.601 3.435 2.015 1.00 25.57 N ATOM 239 CA SER A 16 21.034 3.350 0.668 1.00 27.50 C ATOM 240 C SER A 16 20.887 1.918 0.156 1.00 28.63 C ATOM 241 O SER A 16 19.977 1.618 -0.616 1.00 28.13 O ATOM 242 CB SER A 16 21.876 4.163 -0.318 1.00 29.03 C ATOM 243 OG SER A 16 21.076 5.090 -1.027 1.00 33.52 O ATOM 244 HA SER A 16 20.029 3.766 0.739 1.00 0.00 H ATOM 245 HB2 SER A 16 22.348 3.484 -1.028 1.00 0.00 H ATOM 246 HB3 SER A 16 22.646 4.704 0.232 1.00 0.00 H ATOM 247 HG SER A 16 21.644 5.601 -1.656 1.00 0.00 H ATOM 248 H SER A 16 22.527 3.888 2.153 1.00 0.00 H ATOM 249 N THR A 17 21.787 1.038 0.583 1.00 30.16 N ATOM 250 CA THR A 17 21.740 -0.360 0.173 1.00 30.98 C ATOM 251 C THR A 17 21.290 -1.228 1.343 1.00 31.74 C ATOM 252 O THR A 17 21.838 -1.136 2.439 1.00 30.84 O ATOM 253 CB THR A 17 23.119 -0.850 -0.312 1.00 31.08 C ATOM 254 OG1 THR A 17 24.111 -0.543 0.675 1.00 30.90 O ATOM 255 CG2 THR A 17 23.489 -0.179 -1.630 1.00 31.96 C ATOM 256 HA THR A 17 21.031 -0.441 -0.651 1.00 0.00 H ATOM 257 HB THR A 17 23.074 -1.928 -0.466 1.00 0.00 H ATOM 258 HG1 THR A 17 23.880 -0.995 1.525 1.00 0.00 H ATOM 259 HG23 THR A 17 22.734 -0.413 -2.380 1.00 0.00 H ATOM 260 HG21 THR A 17 23.537 0.900 -1.486 1.00 0.00 H ATOM 261 HG22 THR A 17 24.460 -0.546 -1.963 1.00 0.00 H ATOM 262 H THR A 17 22.542 1.354 1.224 1.00 0.00 H ATOM 263 N SER A 18 20.289 -2.069 1.099 1.00 32.81 N ATOM 264 CA SER A 18 19.752 -2.953 2.127 1.00 33.38 C ATOM 265 C SER A 18 20.739 -4.047 2.520 1.00 34.31 C ATOM 266 O SER A 18 20.696 -4.558 3.640 1.00 32.11 O ATOM 267 CB SER A 18 18.450 -3.591 1.638 1.00 34.11 C ATOM 268 OG SER A 18 18.660 -4.300 0.431 1.00 34.14 O ATOM 269 HA SER A 18 19.562 -2.344 3.011 1.00 0.00 H ATOM 270 HB2 SER A 18 17.710 -2.809 1.469 1.00 0.00 H ATOM 271 HB3 SER A 18 18.082 -4.280 2.398 1.00 0.00 H ATOM 272 HG SER A 18 17.806 -4.704 0.134 1.00 0.00 H ATOM 273 H SER A 18 19.876 -2.097 0.145 1.00 0.00 H ATOM 274 N ALA A 19 21.623 -4.403 1.594 1.00 35.32 N ATOM 275 CA ALA A 19 22.618 -5.437 1.845 1.00 36.86 C ATOM 276 C ALA A 19 23.885 -5.174 1.041 1.00 38.53 C ATOM 277 O ALA A 19 24.708 -6.070 0.854 1.00 38.93 O ATOM 278 CB ALA A 19 22.050 -6.807 1.492 1.00 36.94 C ATOM 279 HA ALA A 19 22.873 -5.419 2.905 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.169 -7.002 2.103 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.774 -6.824 0.438 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.803 -7.571 1.684 1.00 0.00 H ATOM 283 H ALA A 19 21.604 -3.932 0.667 1.00 0.00 H ATOM 284 N ALA A 20 24.035 -3.939 0.570 1.00 40.46 N ATOM 285 CA ALA A 20 25.202 -3.546 -0.213 1.00 41.34 C ATOM 286 C ALA A 20 25.192 -4.204 -1.586 1.00 42.16 C ATOM 287 O ALA A 20 25.238 -3.521 -2.612 1.00 42.51 O ATOM 288 CB ALA A 20 26.480 -3.920 0.530 1.00 42.32 C ATOM 289 HA ALA A 20 25.166 -2.466 -0.352 1.00 0.00 H ATOM 290 HB1 ALA A 20 26.503 -3.407 1.491 1.00 0.00 H ATOM 291 HB2 ALA A 20 26.503 -4.998 0.692 1.00 0.00 H ATOM 292 HB3 ALA A 20 27.344 -3.622 -0.064 1.00 0.00 H ATOM 293 H ALA A 20 23.298 -3.232 0.766 1.00 0.00 H ATOM 294 N SER A 21 25.137 -5.532 -1.593 1.00 41.51 N ATOM 295 CA SER A 21 25.121 -6.314 -2.822 1.00 40.50 C ATOM 296 C SER A 21 26.307 -5.993 -3.724 1.00 38.76 C ATOM 297 O SER A 21 27.093 -5.094 -3.437 1.00 39.37 O ATOM 298 CB SER A 21 23.806 -6.088 -3.582 1.00 41.30 C ATOM 299 OG SER A 21 23.624 -4.728 -3.936 1.00 42.97 O ATOM 300 HA SER A 21 25.200 -7.363 -2.537 1.00 0.00 H ATOM 301 HB2 SER A 21 22.975 -6.401 -2.950 1.00 0.00 H ATOM 302 HB3 SER A 21 23.816 -6.690 -4.491 1.00 0.00 H ATOM 303 HG SER A 21 23.607 -4.174 -3.116 1.00 0.00 H ATOM 304 H SER A 21 25.104 -6.034 -0.683 1.00 0.00 H ATOM 305 N SER A 22 26.430 -6.745 -4.813 1.00 37.24 N ATOM 306 CA SER A 22 27.515 -6.557 -5.768 1.00 33.21 C ATOM 307 C SER A 22 28.874 -6.924 -5.182 1.00 30.67 C ATOM 308 O SER A 22 29.280 -6.409 -4.139 1.00 29.45 O ATOM 309 CB SER A 22 27.550 -5.110 -6.264 1.00 34.13 C ATOM 310 OG SER A 22 28.670 -4.899 -7.104 1.00 33.55 O ATOM 311 HA SER A 22 27.317 -7.229 -6.603 1.00 0.00 H ATOM 312 HB2 SER A 22 27.612 -4.439 -5.408 1.00 0.00 H ATOM 313 HB3 SER A 22 26.638 -4.900 -6.823 1.00 0.00 H ATOM 314 HG SER A 22 28.676 -3.959 -7.415 1.00 0.00 H ATOM 315 H SER A 22 25.729 -7.492 -4.990 1.00 0.00 H ATOM 316 N SER A 23 29.573 -7.818 -5.871 1.00 27.96 N ATOM 317 CA SER A 23 30.891 -8.267 -5.446 1.00 25.66 C ATOM 318 C SER A 23 31.924 -7.147 -5.524 1.00 24.26 C ATOM 319 O SER A 23 33.042 -7.293 -5.037 1.00 24.22 O ATOM 320 CB SER A 23 31.340 -9.448 -6.313 1.00 23.63 C ATOM 321 OG SER A 23 31.266 -9.124 -7.693 1.00 18.67 O ATOM 322 HA SER A 23 30.817 -8.579 -4.404 1.00 0.00 H ATOM 323 HB2 SER A 23 30.695 -10.303 -6.112 1.00 0.00 H ATOM 324 HB3 SER A 23 32.369 -9.704 -6.061 1.00 0.00 H ATOM 325 HG SER A 23 31.854 -8.350 -7.881 1.00 0.00 H ATOM 326 H SER A 23 29.165 -8.211 -6.743 1.00 0.00 H ATOM 327 N ASN A 24 31.546 -6.027 -6.133 1.00 24.99 N ATOM 328 CA ASN A 24 32.453 -4.892 -6.269 1.00 24.66 C ATOM 329 C ASN A 24 32.198 -3.847 -5.190 1.00 23.26 C ATOM 330 O ASN A 24 32.978 -2.909 -5.027 1.00 22.59 O ATOM 331 CB ASN A 24 32.282 -4.240 -7.643 1.00 27.07 C ATOM 332 CG ASN A 24 32.492 -5.214 -8.781 1.00 29.80 C ATOM 333 OD1 ASN A 24 33.537 -5.859 -8.877 1.00 31.29 O ATOM 334 ND2 ASN A 24 31.499 -5.324 -9.656 1.00 30.87 N ATOM 335 HA ASN A 24 33.470 -5.269 -6.160 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.273 -3.833 -7.713 1.00 0.00 H ATOM 337 HB3 ASN A 24 33.006 -3.431 -7.738 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.634 -4.759 -9.535 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.586 -5.975 -10.462 1.00 0.00 H ATOM 340 H ASN A 24 30.583 -5.958 -6.521 1.00 0.00 H ATOM 341 N TYR A 25 31.096 -4.017 -4.463 1.00 20.98 N ATOM 342 CA TYR A 25 30.700 -3.093 -3.405 1.00 19.10 C ATOM 343 C TYR A 25 31.853 -2.532 -2.580 1.00 17.46 C ATOM 344 O TYR A 25 32.047 -1.317 -2.521 1.00 17.55 O ATOM 345 CB TYR A 25 29.707 -3.768 -2.459 1.00 19.62 C ATOM 346 CG TYR A 25 29.232 -2.865 -1.339 1.00 19.04 C ATOM 347 CD1 TYR A 25 28.297 -1.857 -1.577 1.00 18.89 C ATOM 348 CD2 TYR A 25 29.736 -3.006 -0.046 1.00 20.67 C ATOM 349 CE1 TYR A 25 27.873 -1.012 -0.548 1.00 19.95 C ATOM 350 CE2 TYR A 25 29.323 -2.169 0.984 1.00 18.70 C ATOM 351 CZ TYR A 25 28.392 -1.177 0.727 1.00 19.14 C ATOM 352 OH TYR A 25 27.975 -0.360 1.750 1.00 19.38 O ATOM 353 HA TYR A 25 30.248 -2.248 -3.925 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.188 -4.641 -2.018 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.840 -4.086 -3.038 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.467 -3.787 0.161 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.730 -2.293 1.988 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.140 -0.230 -0.746 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.891 -1.727 -2.580 1.00 0.00 H ATOM 360 HH TYR A 25 27.314 0.290 1.403 1.00 0.00 H ATOM 361 H TYR A 25 30.493 -4.842 -4.657 1.00 0.00 H ATOM 362 N CYS A 26 32.615 -3.413 -1.945 1.00 16.34 N ATOM 363 CA CYS A 26 33.721 -2.970 -1.108 1.00 15.43 C ATOM 364 C CYS A 26 34.827 -2.237 -1.859 1.00 16.08 C ATOM 365 O CYS A 26 35.344 -1.232 -1.369 1.00 13.53 O ATOM 366 CB CYS A 26 34.305 -4.150 -0.329 1.00 15.93 C ATOM 367 SG CYS A 26 33.330 -4.683 1.125 1.00 15.22 S ATOM 368 HA CYS A 26 33.294 -2.239 -0.422 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.299 -3.867 0.017 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.386 -4.997 -1.010 1.00 0.00 H ATOM 371 H CYS A 26 32.421 -4.430 -2.046 1.00 0.00 H ATOM 372 N ASN A 27 35.194 -2.720 -3.043 1.00 14.68 N ATOM 373 CA ASN A 27 36.242 -2.048 -3.800 1.00 15.46 C ATOM 374 C ASN A 27 35.820 -0.619 -4.120 1.00 15.50 C ATOM 375 O ASN A 27 36.630 0.302 -4.056 1.00 15.96 O ATOM 376 CB ASN A 27 36.556 -2.794 -5.106 1.00 15.98 C ATOM 377 CG ASN A 27 37.126 -4.176 -4.864 1.00 17.73 C ATOM 378 OD1 ASN A 27 38.010 -4.356 -4.026 1.00 17.23 O ATOM 379 ND2 ASN A 27 36.629 -5.162 -5.606 1.00 20.01 N ATOM 380 HA ASN A 27 37.142 -2.038 -3.186 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.636 -2.891 -5.683 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.281 -2.212 -5.675 1.00 0.00 H ATOM 383 HD22 ASN A 27 35.882 -4.963 -6.302 1.00 0.00 H ATOM 384 HD21 ASN A 27 36.987 -6.131 -5.490 1.00 0.00 H ATOM 385 H ASN A 27 34.736 -3.572 -3.426 1.00 0.00 H ATOM 386 N GLN A 28 34.544 -0.440 -4.452 1.00 16.84 N ATOM 387 CA GLN A 28 34.019 0.877 -4.797 1.00 18.22 C ATOM 388 C GLN A 28 33.785 1.767 -3.582 1.00 17.09 C ATOM 389 O GLN A 28 34.106 2.954 -3.611 1.00 15.32 O ATOM 390 CB GLN A 28 32.704 0.739 -5.565 1.00 21.10 C ATOM 391 CG GLN A 28 32.753 -0.235 -6.727 1.00 25.53 C ATOM 392 CD GLN A 28 31.445 -0.283 -7.486 1.00 28.18 C ATOM 393 OE1 GLN A 28 30.371 -0.331 -6.887 1.00 28.65 O ATOM 394 NE2 GLN A 28 31.527 -0.276 -8.812 1.00 29.37 N ATOM 395 HA GLN A 28 34.780 1.353 -5.415 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.937 0.400 -4.869 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.432 1.720 -5.954 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.545 0.072 -7.410 1.00 0.00 H ATOM 399 HG3 GLN A 28 32.973 -1.231 -6.342 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.457 -0.235 -9.275 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.661 -0.312 -9.387 1.00 0.00 H ATOM 402 H GLN A 28 33.904 -1.260 -4.466 1.00 0.00 H ATOM 403 N MET A 29 33.222 1.189 -2.522 1.00 16.77 N ATOM 404 CA MET A 29 32.915 1.935 -1.299 1.00 16.15 C ATOM 405 C MET A 29 34.122 2.336 -0.459 1.00 16.16 C ATOM 406 O MET A 29 34.149 3.425 0.117 1.00 14.10 O ATOM 407 CB MET A 29 31.942 1.133 -0.428 1.00 17.71 C ATOM 408 CG MET A 29 30.517 1.109 -0.946 1.00 17.43 C ATOM 409 SD MET A 29 29.788 2.751 -1.035 1.00 19.49 S ATOM 410 CE MET A 29 29.429 3.058 0.685 1.00 17.72 C ATOM 411 HA MET A 29 32.470 2.868 -1.644 1.00 0.00 H ATOM 412 HB2 MET A 29 32.302 0.106 -0.370 1.00 0.00 H ATOM 413 HB3 MET A 29 31.936 1.571 0.570 1.00 0.00 H ATOM 414 HG2 MET A 29 29.913 0.494 -0.279 1.00 0.00 H ATOM 415 HG3 MET A 29 30.515 0.671 -1.944 1.00 0.00 H ATOM 416 HE1 MET A 29 28.742 2.296 1.053 1.00 0.00 H ATOM 417 HE2 MET A 29 30.354 3.023 1.260 1.00 0.00 H ATOM 418 HE3 MET A 29 28.972 4.042 0.789 1.00 0.00 H ATOM 419 H MET A 29 32.993 0.175 -2.564 1.00 0.00 H ATOM 420 N MET A 30 35.114 1.458 -0.364 1.00 14.62 N ATOM 421 CA MET A 30 36.295 1.778 0.420 1.00 14.50 C ATOM 422 C MET A 30 37.014 2.965 -0.207 1.00 15.95 C ATOM 423 O MET A 30 37.657 3.750 0.488 1.00 16.43 O ATOM 424 CB MET A 30 37.231 0.570 0.502 1.00 14.53 C ATOM 425 CG MET A 30 36.684 -0.572 1.348 1.00 11.93 C ATOM 426 SD MET A 30 36.466 -0.096 3.083 1.00 12.32 S ATOM 427 CE MET A 30 38.168 -0.171 3.646 1.00 14.90 C ATOM 428 HA MET A 30 35.989 2.038 1.433 1.00 0.00 H ATOM 429 HB2 MET A 30 37.403 0.198 -0.508 1.00 0.00 H ATOM 430 HB3 MET A 30 38.177 0.896 0.934 1.00 0.00 H ATOM 431 HG2 MET A 30 37.379 -1.410 1.298 1.00 0.00 H ATOM 432 HG3 MET A 30 35.719 -0.878 0.944 1.00 0.00 H ATOM 433 HE1 MET A 30 38.550 -1.183 3.509 1.00 0.00 H ATOM 434 HE2 MET A 30 38.772 0.528 3.068 1.00 0.00 H ATOM 435 HE3 MET A 30 38.212 0.096 4.702 1.00 0.00 H ATOM 436 H MET A 30 35.046 0.541 -0.851 1.00 0.00 H ATOM 437 N LYS A 31 36.889 3.099 -1.524 1.00 16.74 N ATOM 438 CA LYS A 31 37.522 4.197 -2.237 1.00 17.10 C ATOM 439 C LYS A 31 36.663 5.456 -2.197 1.00 17.35 C ATOM 440 O LYS A 31 37.167 6.543 -1.914 1.00 17.68 O ATOM 441 CB LYS A 31 37.784 3.809 -3.697 1.00 18.82 C ATOM 442 CG LYS A 31 38.444 4.914 -4.513 1.00 21.44 C ATOM 443 CD LYS A 31 38.762 4.457 -5.928 1.00 26.30 C ATOM 444 CE LYS A 31 39.390 5.583 -6.739 1.00 27.86 C ATOM 445 NZ LYS A 31 39.695 5.168 -8.138 1.00 31.10 N ATOM 446 HA LYS A 31 38.469 4.406 -1.739 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.435 2.935 -3.710 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.831 3.558 -4.163 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.769 5.769 -4.561 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.370 5.211 -4.021 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.457 3.619 -5.884 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.841 4.138 -6.415 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.316 5.891 -6.254 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.698 6.425 -6.765 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.361 4.369 -8.124 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.816 4.879 -8.612 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.121 5.967 -8.650 1.00 0.00 H ATOM 458 H LYS A 31 36.327 2.404 -2.055 1.00 0.00 H ATOM 459 N SER A 32 35.368 5.306 -2.468 1.00 17.49 N ATOM 460 CA SER A 32 34.455 6.446 -2.479 1.00 17.83 C ATOM 461 C SER A 32 34.342 7.137 -1.127 1.00 17.44 C ATOM 462 O SER A 32 34.173 8.354 -1.065 1.00 17.77 O ATOM 463 CB SER A 32 33.060 6.016 -2.952 1.00 18.47 C ATOM 464 OG SER A 32 32.474 5.084 -2.063 1.00 21.73 O ATOM 465 HA SER A 32 34.881 7.167 -3.177 1.00 0.00 H ATOM 466 HB2 SER A 32 33.145 5.560 -3.938 1.00 0.00 H ATOM 467 HB3 SER A 32 32.420 6.896 -3.015 1.00 0.00 H ATOM 468 HG SER A 32 33.047 4.279 -2.006 1.00 0.00 H ATOM 469 H SER A 32 34.999 4.356 -2.676 1.00 0.00 H ATOM 470 N ARG A 33 34.431 6.364 -0.049 1.00 16.76 N ATOM 471 CA ARG A 33 34.338 6.922 1.297 1.00 16.23 C ATOM 472 C ARG A 33 35.708 7.341 1.829 1.00 17.92 C ATOM 473 O ARG A 33 35.865 7.619 3.018 1.00 18.98 O ATOM 474 CB ARG A 33 33.686 5.917 2.255 1.00 14.21 C ATOM 475 CG ARG A 33 32.226 5.580 1.939 1.00 12.12 C ATOM 476 CD ARG A 33 31.345 6.828 1.868 1.00 10.90 C ATOM 477 NE ARG A 33 29.933 6.500 1.674 1.00 11.51 N ATOM 478 CZ ARG A 33 29.123 6.075 2.639 1.00 13.15 C ATOM 479 NH1 ARG A 33 29.579 5.928 3.876 1.00 12.01 N ATOM 480 NH2 ARG A 33 27.855 5.791 2.367 1.00 14.32 N ATOM 481 HA ARG A 33 33.713 7.813 1.238 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.262 4.993 2.220 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.728 6.332 3.262 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.184 5.066 0.979 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.841 4.923 2.719 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.679 7.447 1.035 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.451 7.386 2.798 1.00 0.00 H ATOM 488 HE ARG A 33 29.536 6.606 0.718 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.943 5.595 4.629 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.573 6.145 4.093 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.223 5.459 3.123 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.494 5.901 1.398 1.00 0.00 H ATOM 493 H ARG A 33 34.570 5.340 -0.167 1.00 0.00 H ATOM 494 N ASN A 34 36.694 7.375 0.935 1.00 20.22 N ATOM 495 CA ASN A 34 38.057 7.779 1.270 1.00 22.99 C ATOM 496 C ASN A 34 38.738 6.967 2.363 1.00 23.55 C ATOM 497 O ASN A 34 39.428 7.523 3.220 1.00 25.04 O ATOM 498 CB ASN A 34 38.076 9.259 1.653 1.00 25.28 C ATOM 499 CG ASN A 34 37.735 10.162 0.485 1.00 29.77 C ATOM 500 OD1 ASN A 34 38.418 10.153 -0.539 1.00 31.87 O ATOM 501 ND2 ASN A 34 36.672 10.945 0.631 1.00 32.69 N ATOM 502 HA ASN A 34 38.636 7.586 0.367 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.349 9.425 2.448 1.00 0.00 H ATOM 504 HB3 ASN A 34 39.072 9.515 2.014 1.00 0.00 H ATOM 505 HD22 ASN A 34 36.124 10.919 1.515 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.387 11.584 -0.138 1.00 0.00 H ATOM 507 H ASN A 34 36.484 7.102 -0.046 1.00 0.00 H ATOM 508 N LEU A 35 38.561 5.652 2.325 1.00 22.73 N ATOM 509 CA LEU A 35 39.172 4.786 3.320 1.00 24.32 C ATOM 510 C LEU A 35 40.464 4.185 2.783 1.00 24.40 C ATOM 511 O LEU A 35 41.137 3.419 3.471 1.00 26.14 O ATOM 512 CB LEU A 35 38.197 3.678 3.715 1.00 23.99 C ATOM 513 CG LEU A 35 36.812 4.176 4.142 1.00 25.76 C ATOM 514 CD1 LEU A 35 36.008 3.018 4.695 1.00 25.64 C ATOM 515 CD2 LEU A 35 36.956 5.270 5.190 1.00 26.41 C ATOM 516 HA LEU A 35 39.410 5.380 4.202 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.072 3.013 2.861 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.631 3.122 4.546 1.00 0.00 H ATOM 519 HG LEU A 35 36.291 4.589 3.278 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.480 4.872 6.059 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.524 6.100 4.771 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.967 5.618 5.488 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.899 2.253 3.926 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.525 2.597 5.557 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.023 3.373 4.998 1.00 0.00 H ATOM 526 H LEU A 35 37.977 5.235 1.572 1.00 0.00 H ATOM 527 N THR A 36 40.808 4.549 1.551 1.00 25.51 N ATOM 528 CA THR A 36 42.024 4.058 0.913 1.00 26.15 C ATOM 529 C THR A 36 42.909 5.224 0.483 1.00 27.45 C ATOM 530 O THR A 36 43.778 5.073 -0.375 1.00 27.48 O ATOM 531 CB THR A 36 41.693 3.206 -0.329 1.00 25.81 C ATOM 532 OG1 THR A 36 40.999 4.010 -1.291 1.00 24.87 O ATOM 533 CG2 THR A 36 40.816 2.022 0.058 1.00 26.33 C ATOM 534 HA THR A 36 42.550 3.442 1.643 1.00 0.00 H ATOM 535 HB THR A 36 42.625 2.835 -0.757 1.00 0.00 H ATOM 536 HG1 THR A 36 40.160 4.350 -0.891 1.00 0.00 H ATOM 537 HG23 THR A 36 41.340 1.407 0.790 1.00 0.00 H ATOM 538 HG21 THR A 36 39.884 2.387 0.489 1.00 0.00 H ATOM 539 HG22 THR A 36 40.599 1.427 -0.829 1.00 0.00 H ATOM 540 H THR A 36 40.192 5.203 1.027 1.00 0.00 H ATOM 541 N LYS A 37 42.685 6.384 1.094 1.00 28.65 N ATOM 542 CA LYS A 37 43.448 7.587 0.774 1.00 30.31 C ATOM 543 C LYS A 37 44.924 7.494 1.154 1.00 30.21 C ATOM 544 O LYS A 37 45.796 7.550 0.289 1.00 31.28 O ATOM 545 CB LYS A 37 42.821 8.802 1.467 1.00 31.52 C ATOM 546 CG LYS A 37 43.530 10.117 1.182 1.00 33.54 C ATOM 547 CD LYS A 37 42.925 11.259 1.985 1.00 34.98 C ATOM 548 CE LYS A 37 43.692 12.556 1.763 1.00 36.20 C ATOM 549 NZ LYS A 37 43.155 13.674 2.585 1.00 36.55 N ATOM 550 HA LYS A 37 43.407 7.696 -0.310 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.787 8.891 1.132 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.840 8.629 2.543 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.583 10.017 1.445 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.442 10.345 0.120 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.889 11.401 1.677 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.956 11.004 3.044 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.623 12.829 0.710 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.737 12.396 2.028 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.159 13.840 2.334 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.223 13.426 3.593 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.708 14.535 2.400 1.00 0.00 H ATOM 562 H LYS A 37 41.944 6.436 1.822 1.00 0.00 H ATOM 563 N ASP A 38 45.196 7.359 2.448 1.00 30.57 N ATOM 564 CA ASP A 38 46.564 7.280 2.955 1.00 31.39 C ATOM 565 C ASP A 38 47.147 5.878 2.838 1.00 30.53 C ATOM 566 O ASP A 38 48.346 5.710 2.612 1.00 29.77 O ATOM 567 CB ASP A 38 46.602 7.716 4.423 1.00 33.68 C ATOM 568 CG ASP A 38 46.154 9.152 4.620 1.00 35.28 C ATOM 569 OD1 ASP A 38 45.052 9.503 4.150 1.00 38.40 O ATOM 570 OD2 ASP A 38 46.898 9.929 5.253 1.00 37.94 O ATOM 571 HA ASP A 38 47.170 7.947 2.342 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.945 7.064 4.998 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.623 7.616 4.790 1.00 0.00 H ATOM 574 H ASP A 38 44.407 7.308 3.124 1.00 0.00 H ATOM 575 N ARG A 39 46.288 4.879 3.006 1.00 29.33 N ATOM 576 CA ARG A 39 46.688 3.479 2.942 1.00 29.06 C ATOM 577 C ARG A 39 45.446 2.635 2.705 1.00 28.49 C ATOM 578 O ARG A 39 44.332 3.156 2.690 1.00 27.96 O ATOM 579 CB ARG A 39 47.342 3.067 4.264 1.00 31.22 C ATOM 580 CG ARG A 39 46.502 3.410 5.493 1.00 33.74 C ATOM 581 CD ARG A 39 47.308 3.293 6.779 1.00 36.19 C ATOM 582 NE ARG A 39 47.320 1.936 7.318 1.00 38.95 N ATOM 583 CZ ARG A 39 46.318 1.397 8.006 1.00 40.29 C ATOM 584 NH1 ARG A 39 45.218 2.100 8.243 1.00 40.84 N ATOM 585 NH2 ARG A 39 46.414 0.155 8.459 1.00 41.33 N ATOM 586 HA ARG A 39 47.403 3.332 2.133 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.505 1.989 4.247 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.301 3.577 4.348 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.137 4.432 5.397 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.655 2.726 5.544 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.874 3.960 7.524 1.00 0.00 H ATOM 592 HD3 ARG A 39 48.335 3.596 6.575 1.00 0.00 H ATOM 593 HE ARG A 39 48.166 1.354 7.153 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.436 1.676 8.781 1.00 0.00 H ATOM 595 HH11 ARG A 39 45.138 3.075 7.890 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.629 -0.264 8.997 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.274 -0.400 8.277 1.00 0.00 H ATOM 598 H ARG A 39 45.290 5.105 3.191 1.00 0.00 H ATOM 599 N CYS A 40 45.636 1.337 2.503 1.00 27.25 N ATOM 600 CA CYS A 40 44.500 0.449 2.303 1.00 26.51 C ATOM 601 C CYS A 40 43.994 0.070 3.690 1.00 26.73 C ATOM 602 O CYS A 40 44.555 -0.823 4.325 1.00 27.75 O ATOM 603 CB CYS A 40 44.913 -0.832 1.570 1.00 24.27 C ATOM 604 SG CYS A 40 45.529 -0.671 -0.140 1.00 20.82 S ATOM 605 HA CYS A 40 43.741 0.950 1.702 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.042 -1.486 1.542 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.701 -1.303 2.157 1.00 0.00 H ATOM 608 H CYS A 40 46.602 0.952 2.488 1.00 0.00 H ATOM 609 N LYS A 41 42.955 0.744 4.174 1.00 27.27 N ATOM 610 CA LYS A 41 42.428 0.405 5.492 1.00 27.78 C ATOM 611 C LYS A 41 42.135 -1.093 5.490 1.00 26.81 C ATOM 612 O LYS A 41 41.313 -1.574 4.710 1.00 26.31 O ATOM 613 CB LYS A 41 41.154 1.192 5.801 1.00 29.12 C ATOM 614 CG LYS A 41 40.608 0.922 7.200 1.00 30.95 C ATOM 615 CD LYS A 41 39.462 1.856 7.561 1.00 32.02 C ATOM 616 CE LYS A 41 38.926 1.550 8.955 1.00 33.29 C ATOM 617 NZ LYS A 41 39.200 2.640 9.930 1.00 34.86 N ATOM 618 HA LYS A 41 43.156 0.662 6.262 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.373 2.256 5.713 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.391 0.918 5.072 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.250 -0.107 7.245 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.412 1.057 7.923 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.819 2.886 7.534 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.659 1.732 6.835 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.394 0.634 9.315 1.00 0.00 H ATOM 626 HE3 LYS A 41 37.848 1.404 8.890 1.00 0.00 H ATOM 627 HZ1 LYS A 41 40.227 2.783 10.008 1.00 0.00 H ATOM 628 HZ2 LYS A 41 38.750 3.518 9.602 1.00 0.00 H ATOM 629 HZ3 LYS A 41 38.814 2.378 10.859 1.00 0.00 H ATOM 630 H LYS A 41 42.521 1.508 3.617 1.00 0.00 H ATOM 631 N PRO A 42 42.820 -1.849 6.362 1.00 26.22 N ATOM 632 CA PRO A 42 42.710 -3.302 6.533 1.00 24.97 C ATOM 633 C PRO A 42 41.298 -3.884 6.529 1.00 24.12 C ATOM 634 O PRO A 42 40.982 -4.768 5.731 1.00 23.74 O ATOM 635 CB PRO A 42 43.425 -3.539 7.859 1.00 25.39 C ATOM 636 CG PRO A 42 44.498 -2.515 7.829 1.00 27.10 C ATOM 637 CD PRO A 42 43.764 -1.286 7.346 1.00 26.81 C ATOM 638 HA PRO A 42 43.144 -3.819 5.677 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.236 -0.795 8.163 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.447 -0.577 6.878 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.293 -2.797 7.138 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.920 -2.357 8.821 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.753 -3.383 8.703 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.841 -4.545 7.909 1.00 0.00 H ATOM 645 N VAL A 43 40.457 -3.403 7.438 1.00 21.80 N ATOM 646 CA VAL A 43 39.087 -3.888 7.534 1.00 20.62 C ATOM 647 C VAL A 43 38.145 -2.749 7.898 1.00 17.58 C ATOM 648 O VAL A 43 38.502 -1.853 8.660 1.00 18.27 O ATOM 649 CB VAL A 43 38.960 -4.989 8.602 1.00 22.61 C ATOM 650 CG1 VAL A 43 39.899 -6.145 8.275 1.00 24.27 C ATOM 651 CG2 VAL A 43 39.278 -4.419 9.971 1.00 23.50 C ATOM 652 HA VAL A 43 38.818 -4.299 6.561 1.00 0.00 H ATOM 653 HB VAL A 43 37.937 -5.364 8.608 1.00 0.00 H ATOM 654 HG11 VAL A 43 39.639 -6.558 7.301 1.00 0.00 H ATOM 655 HG12 VAL A 43 40.927 -5.782 8.254 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.801 -6.918 9.037 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.296 -4.030 9.974 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.580 -3.614 10.199 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.186 -5.205 10.721 1.00 0.00 H ATOM 660 H VAL A 43 40.783 -2.665 8.094 1.00 0.00 H ATOM 661 N ASN A 44 36.943 -2.785 7.339 1.00 15.60 N ATOM 662 CA ASN A 44 35.954 -1.757 7.613 1.00 14.21 C ATOM 663 C ASN A 44 34.554 -2.301 7.384 1.00 12.77 C ATOM 664 O ASN A 44 34.314 -3.039 6.433 1.00 13.98 O ATOM 665 CB ASN A 44 36.170 -0.545 6.712 1.00 12.58 C ATOM 666 CG ASN A 44 35.246 0.599 7.060 1.00 11.41 C ATOM 667 OD1 ASN A 44 35.389 1.225 8.113 1.00 13.36 O ATOM 668 ND2 ASN A 44 34.284 0.873 6.188 1.00 10.77 N ATOM 669 HA ASN A 44 36.065 -1.453 8.654 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.201 -0.208 6.818 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.990 -0.840 5.678 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.202 0.318 5.312 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.612 1.643 6.380 1.00 0.00 H ATOM 674 H ASN A 44 36.704 -3.564 6.692 1.00 0.00 H ATOM 675 N THR A 45 33.622 -1.912 8.245 1.00 9.82 N ATOM 676 CA THR A 45 32.254 -2.394 8.133 1.00 9.75 C ATOM 677 C THR A 45 31.247 -1.293 7.827 1.00 10.30 C ATOM 678 O THR A 45 31.315 -0.204 8.397 1.00 10.01 O ATOM 679 CB THR A 45 31.826 -3.087 9.438 1.00 9.68 C ATOM 680 OG1 THR A 45 32.731 -4.160 9.723 1.00 9.63 O ATOM 681 CG2 THR A 45 30.405 -3.628 9.319 1.00 13.25 C ATOM 682 HA THR A 45 32.253 -3.092 7.296 1.00 0.00 H ATOM 683 HB THR A 45 31.850 -2.359 10.249 1.00 0.00 H ATOM 684 HG1 THR A 45 32.712 -4.813 8.979 1.00 0.00 H ATOM 685 HG23 THR A 45 29.722 -2.807 9.102 1.00 0.00 H ATOM 686 HG21 THR A 45 30.363 -4.360 8.513 1.00 0.00 H ATOM 687 HG22 THR A 45 30.118 -4.103 10.258 1.00 0.00 H ATOM 688 H THR A 45 33.873 -1.254 9.010 1.00 0.00 H ATOM 689 N PHE A 46 30.321 -1.589 6.921 1.00 9.87 N ATOM 690 CA PHE A 46 29.266 -0.653 6.551 1.00 10.72 C ATOM 691 C PHE A 46 27.951 -1.213 7.088 1.00 11.32 C ATOM 692 O PHE A 46 27.663 -2.403 6.933 1.00 11.58 O ATOM 693 CB PHE A 46 29.199 -0.495 5.027 1.00 11.08 C ATOM 694 CG PHE A 46 30.354 0.274 4.451 1.00 12.33 C ATOM 695 CD1 PHE A 46 30.396 1.660 4.536 1.00 11.36 C ATOM 696 CD2 PHE A 46 31.416 -0.394 3.846 1.00 12.73 C ATOM 697 CE1 PHE A 46 31.483 2.374 4.026 1.00 12.29 C ATOM 698 CE2 PHE A 46 32.506 0.314 3.333 1.00 11.03 C ATOM 699 CZ PHE A 46 32.536 1.698 3.424 1.00 10.23 C ATOM 700 HA PHE A 46 29.463 0.332 6.973 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.187 -1.488 4.577 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.276 0.028 4.775 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.397 -1.481 3.772 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.331 -0.220 2.862 1.00 0.00 H ATOM 705 HZ PHE A 46 33.384 2.253 3.024 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.505 3.461 4.101 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.572 2.196 5.006 1.00 0.00 H ATOM 708 H PHE A 46 30.350 -2.521 6.460 1.00 0.00 H ATOM 709 N VAL A 47 27.167 -0.360 7.738 1.00 9.89 N ATOM 710 CA VAL A 47 25.892 -0.782 8.309 1.00 10.12 C ATOM 711 C VAL A 47 24.732 -0.308 7.452 1.00 9.52 C ATOM 712 O VAL A 47 24.604 0.888 7.170 1.00 10.17 O ATOM 713 CB VAL A 47 25.705 -0.223 9.732 1.00 10.00 C ATOM 714 CG1 VAL A 47 24.418 -0.766 10.333 1.00 12.17 C ATOM 715 CG2 VAL A 47 26.898 -0.590 10.598 1.00 8.95 C ATOM 716 HA VAL A 47 25.905 -1.871 8.345 1.00 0.00 H ATOM 717 HB VAL A 47 25.637 0.864 9.685 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.574 -0.465 9.713 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.469 -1.854 10.376 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.292 -0.367 11.339 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.989 -1.675 10.648 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.804 -0.168 10.163 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.754 -0.189 11.601 1.00 0.00 H ATOM 724 H VAL A 47 27.468 0.630 7.842 1.00 0.00 H ATOM 725 N HIS A 48 23.885 -1.250 7.047 1.00 10.65 N ATOM 726 CA HIS A 48 22.737 -0.950 6.200 1.00 11.93 C ATOM 727 C HIS A 48 21.449 -0.835 7.000 1.00 14.09 C ATOM 728 O HIS A 48 20.553 -1.679 6.897 1.00 13.40 O ATOM 729 CB HIS A 48 22.582 -2.032 5.131 1.00 12.63 C ATOM 730 CG HIS A 48 23.835 -2.296 4.358 1.00 13.69 C ATOM 731 ND1 HIS A 48 24.451 -1.335 3.586 1.00 15.99 N ATOM 732 CD2 HIS A 48 24.591 -3.413 4.244 1.00 14.06 C ATOM 733 CE1 HIS A 48 25.532 -1.850 3.027 1.00 16.43 C ATOM 734 NE2 HIS A 48 25.640 -3.109 3.410 1.00 15.73 N ATOM 735 HA HIS A 48 22.923 0.016 5.730 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.277 -2.958 5.619 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.806 -1.718 4.433 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.403 -4.374 4.724 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.218 -1.325 2.363 1.00 0.00 H ATOM 740 H HIS A 48 24.047 -2.233 7.344 1.00 0.00 H ATOM 741 N GLU A 49 21.376 0.218 7.804 1.00 13.59 N ATOM 742 CA GLU A 49 20.211 0.504 8.631 1.00 13.26 C ATOM 743 C GLU A 49 20.125 2.020 8.651 1.00 12.80 C ATOM 744 O GLU A 49 21.068 2.697 8.240 1.00 13.82 O ATOM 745 CB GLU A 49 20.409 -0.008 10.063 1.00 13.38 C ATOM 746 CG GLU A 49 20.611 -1.514 10.213 1.00 13.25 C ATOM 747 CD GLU A 49 19.409 -2.347 9.777 1.00 15.40 C ATOM 748 OE1 GLU A 49 18.287 -1.804 9.670 1.00 14.26 O ATOM 749 OE2 GLU A 49 19.586 -3.566 9.556 1.00 13.61 O ATOM 750 HA GLU A 49 19.314 0.023 8.241 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.286 0.489 10.477 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.528 0.270 10.642 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.469 -1.807 9.608 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.816 -1.730 11.261 1.00 0.00 H ATOM 755 H GLU A 49 22.187 0.868 7.846 1.00 0.00 H ATOM 756 N SER A 50 19.008 2.559 9.126 1.00 12.80 N ATOM 757 CA SER A 50 18.852 4.007 9.182 1.00 12.44 C ATOM 758 C SER A 50 19.828 4.596 10.190 1.00 13.35 C ATOM 759 O SER A 50 20.253 3.915 11.128 1.00 12.37 O ATOM 760 CB SER A 50 17.425 4.377 9.590 1.00 12.31 C ATOM 761 OG SER A 50 17.192 4.071 10.955 1.00 12.72 O ATOM 762 HA SER A 50 19.057 4.412 8.191 1.00 0.00 H ATOM 763 HB2 SER A 50 16.721 3.818 8.974 1.00 0.00 H ATOM 764 HB3 SER A 50 17.274 5.445 9.433 1.00 0.00 H ATOM 765 HG SER A 50 16.264 4.319 11.194 1.00 0.00 H ATOM 766 H SER A 50 18.239 1.944 9.460 1.00 0.00 H ATOM 767 N LEU A 51 20.187 5.861 10.000 1.00 12.59 N ATOM 768 CA LEU A 51 21.103 6.523 10.917 1.00 12.24 C ATOM 769 C LEU A 51 20.502 6.500 12.315 1.00 12.65 C ATOM 770 O LEU A 51 21.196 6.247 13.303 1.00 13.58 O ATOM 771 CB LEU A 51 21.336 7.973 10.490 1.00 13.64 C ATOM 772 CG LEU A 51 22.216 8.806 11.423 1.00 13.07 C ATOM 773 CD1 LEU A 51 23.565 8.117 11.606 1.00 12.92 C ATOM 774 CD2 LEU A 51 22.396 10.207 10.848 1.00 15.38 C ATOM 775 HA LEU A 51 22.059 5.999 10.907 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.807 7.961 9.507 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.364 8.462 10.420 1.00 0.00 H ATOM 778 HG LEU A 51 21.736 8.893 12.398 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.871 10.138 9.869 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.422 10.685 10.748 1.00 0.00 H ATOM 781 HD23 LEU A 51 23.024 10.795 11.517 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.411 7.129 12.039 1.00 0.00 H ATOM 783 HD12 LEU A 51 24.055 8.018 10.638 1.00 0.00 H ATOM 784 HD13 LEU A 51 24.189 8.714 12.271 1.00 0.00 H ATOM 785 H LEU A 51 19.808 6.385 9.185 1.00 0.00 H ATOM 786 N ALA A 52 19.203 6.768 12.389 1.00 12.48 N ATOM 787 CA ALA A 52 18.504 6.780 13.668 1.00 12.35 C ATOM 788 C ALA A 52 18.668 5.440 14.381 1.00 11.67 C ATOM 789 O ALA A 52 19.001 5.402 15.567 1.00 11.03 O ATOM 790 CB ALA A 52 17.023 7.092 13.453 1.00 12.75 C ATOM 791 HA ALA A 52 18.939 7.557 14.296 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.924 8.069 12.981 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.582 6.330 12.810 1.00 0.00 H ATOM 794 HB3 ALA A 52 16.511 7.098 14.415 1.00 0.00 H ATOM 795 H ALA A 52 18.674 6.973 11.517 1.00 0.00 H ATOM 796 N ASP A 53 18.445 4.341 13.664 1.00 10.89 N ATOM 797 CA ASP A 53 18.574 3.018 14.272 1.00 11.81 C ATOM 798 C ASP A 53 19.981 2.758 14.797 1.00 10.82 C ATOM 799 O ASP A 53 20.153 2.172 15.863 1.00 10.33 O ATOM 800 CB ASP A 53 18.192 1.918 13.275 1.00 12.62 C ATOM 801 CG ASP A 53 16.694 1.676 13.216 1.00 15.80 C ATOM 802 OD1 ASP A 53 15.947 2.425 13.875 1.00 16.45 O ATOM 803 OD2 ASP A 53 16.264 0.737 12.511 1.00 16.95 O ATOM 804 HA ASP A 53 17.887 2.998 15.118 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.538 2.210 12.283 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.684 0.992 13.572 1.00 0.00 H ATOM 807 H ASP A 53 18.177 4.424 12.663 1.00 0.00 H ATOM 808 N VAL A 54 20.990 3.186 14.049 1.00 9.63 N ATOM 809 CA VAL A 54 22.361 2.975 14.481 1.00 9.64 C ATOM 810 C VAL A 54 22.701 3.886 15.658 1.00 7.79 C ATOM 811 O VAL A 54 23.349 3.465 16.613 1.00 8.56 O ATOM 812 CB VAL A 54 23.346 3.218 13.317 1.00 9.63 C ATOM 813 CG1 VAL A 54 24.779 2.997 13.783 1.00 9.14 C ATOM 814 CG2 VAL A 54 23.014 2.279 12.168 1.00 11.00 C ATOM 815 HA VAL A 54 22.457 1.938 14.804 1.00 0.00 H ATOM 816 HB VAL A 54 23.251 4.249 12.976 1.00 0.00 H ATOM 817 HG11 VAL A 54 25.007 3.689 14.594 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.891 1.972 14.137 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.461 3.172 12.951 1.00 0.00 H ATOM 820 HG21 VAL A 54 23.099 1.247 12.508 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.996 2.468 11.829 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.710 2.451 11.347 1.00 0.00 H ATOM 823 H VAL A 54 20.799 3.674 13.151 1.00 0.00 H ATOM 824 N GLN A 55 22.269 5.140 15.593 1.00 9.00 N ATOM 825 CA GLN A 55 22.538 6.066 16.688 1.00 10.42 C ATOM 826 C GLN A 55 21.885 5.572 17.975 1.00 10.23 C ATOM 827 O GLN A 55 22.418 5.766 19.069 1.00 11.14 O ATOM 828 CB GLN A 55 22.016 7.460 16.339 1.00 11.55 C ATOM 829 CG GLN A 55 22.888 8.195 15.332 1.00 11.33 C ATOM 830 CD GLN A 55 22.273 9.497 14.856 1.00 12.35 C ATOM 831 OE1 GLN A 55 20.952 9.589 14.935 1.00 14.25 O ATOM 832 NE2 GLN A 55 22.981 10.404 14.406 1.00 16.17 N ATOM 833 HA GLN A 55 23.616 6.119 16.841 1.00 0.00 H ATOM 834 HB2 GLN A 55 21.014 7.360 15.921 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.970 8.051 17.254 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.849 8.414 15.798 1.00 0.00 H ATOM 837 HG3 GLN A 55 23.044 7.548 14.469 1.00 0.00 H ATOM 838 HE22 GLN A 55 24.013 10.286 14.364 1.00 0.00 H ATOM 839 HE21 GLN A 55 22.545 11.286 14.069 1.00 0.00 H ATOM 840 H GLN A 55 21.738 5.463 14.759 1.00 0.00 H ATOM 841 N ALA A 56 20.731 4.929 17.831 1.00 9.82 N ATOM 842 CA ALA A 56 19.988 4.403 18.971 1.00 9.39 C ATOM 843 C ALA A 56 20.748 3.313 19.723 1.00 9.96 C ATOM 844 O ALA A 56 20.429 3.014 20.877 1.00 9.77 O ATOM 845 CB ALA A 56 18.646 3.862 18.504 1.00 8.99 C ATOM 846 HA ALA A 56 19.843 5.230 19.666 1.00 0.00 H ATOM 847 HB1 ALA A 56 18.074 4.665 18.039 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.810 3.064 17.780 1.00 0.00 H ATOM 849 HB3 ALA A 56 18.096 3.471 19.360 1.00 0.00 H ATOM 850 H ALA A 56 20.345 4.796 16.874 1.00 0.00 H ATOM 851 N VAL A 57 21.743 2.712 19.081 1.00 9.26 N ATOM 852 CA VAL A 57 22.500 1.659 19.747 1.00 8.83 C ATOM 853 C VAL A 57 23.224 2.213 20.976 1.00 8.40 C ATOM 854 O VAL A 57 23.493 1.480 21.934 1.00 7.30 O ATOM 855 CB VAL A 57 23.523 0.995 18.789 1.00 8.40 C ATOM 856 CG1 VAL A 57 24.305 -0.083 19.523 1.00 8.57 C ATOM 857 CG2 VAL A 57 22.791 0.380 17.602 1.00 10.14 C ATOM 858 HA VAL A 57 21.787 0.897 20.062 1.00 0.00 H ATOM 859 HB VAL A 57 24.218 1.755 18.432 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.838 0.364 20.362 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.616 -0.842 19.892 1.00 0.00 H ATOM 862 HG13 VAL A 57 25.020 -0.541 18.839 1.00 0.00 H ATOM 863 HG21 VAL A 57 22.089 -0.373 17.960 1.00 0.00 H ATOM 864 HG22 VAL A 57 22.248 1.160 17.068 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.514 -0.085 16.932 1.00 0.00 H ATOM 866 H VAL A 57 21.981 2.991 18.108 1.00 0.00 H ATOM 867 N CYS A 58 23.513 3.511 20.956 1.00 8.23 N ATOM 868 CA CYS A 58 24.199 4.160 22.069 1.00 9.44 C ATOM 869 C CYS A 58 23.404 4.089 23.370 1.00 9.65 C ATOM 870 O CYS A 58 23.941 4.365 24.441 1.00 9.39 O ATOM 871 CB CYS A 58 24.486 5.624 21.737 1.00 10.64 C ATOM 872 SG CYS A 58 25.702 5.865 20.401 1.00 9.75 S ATOM 873 HA CYS A 58 25.133 3.617 22.217 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.865 6.110 22.636 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.551 6.096 21.437 1.00 0.00 H ATOM 876 H CYS A 58 23.244 4.078 20.127 1.00 0.00 H ATOM 877 N SER A 59 22.129 3.730 23.275 1.00 10.60 N ATOM 878 CA SER A 59 21.288 3.619 24.464 1.00 11.25 C ATOM 879 C SER A 59 20.885 2.168 24.712 1.00 11.56 C ATOM 880 O SER A 59 19.986 1.889 25.508 1.00 9.43 O ATOM 881 CB SER A 59 20.035 4.489 24.319 1.00 15.00 C ATOM 882 OG SER A 59 19.389 4.682 25.563 1.00 22.38 O ATOM 883 HA SER A 59 21.867 3.970 25.318 1.00 0.00 H ATOM 884 HB2 SER A 59 19.343 4.002 23.632 1.00 0.00 H ATOM 885 HB3 SER A 59 20.323 5.460 23.915 1.00 0.00 H ATOM 886 HG SER A 59 19.120 3.804 25.933 1.00 0.00 H ATOM 887 H SER A 59 21.723 3.525 22.340 1.00 0.00 H ATOM 888 N GLN A 60 21.564 1.244 24.040 1.00 10.21 N ATOM 889 CA GLN A 60 21.247 -0.164 24.198 1.00 9.10 C ATOM 890 C GLN A 60 22.171 -0.921 25.156 1.00 9.47 C ATOM 891 O GLN A 60 22.559 -0.363 26.183 1.00 9.72 O ATOM 892 CB GLN A 60 21.135 -0.795 22.807 1.00 7.61 C ATOM 893 CG GLN A 60 19.833 -0.308 22.157 1.00 8.34 C ATOM 894 CD GLN A 60 19.680 -0.620 20.679 1.00 7.97 C ATOM 895 OE1 GLN A 60 20.062 -1.692 20.207 1.00 9.88 O ATOM 896 NE2 GLN A 60 19.084 0.318 19.943 1.00 10.15 N ATOM 897 HA GLN A 60 20.284 -0.246 24.702 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.986 -0.494 22.196 1.00 0.00 H ATOM 899 HB3 GLN A 60 21.119 -1.881 22.896 1.00 0.00 H ATOM 900 HG2 GLN A 60 19.000 -0.772 22.686 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.782 0.774 22.279 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.778 1.209 20.384 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.925 0.159 18.928 1.00 0.00 H ATOM 904 H GLN A 60 22.328 1.532 23.396 1.00 0.00 H ATOM 905 N LYS A 61 22.525 -2.167 24.857 1.00 9.70 N ATOM 906 CA LYS A 61 23.347 -2.935 25.793 1.00 9.65 C ATOM 907 C LYS A 61 24.790 -2.476 25.991 1.00 10.83 C ATOM 908 O LYS A 61 25.608 -2.555 25.079 1.00 10.70 O ATOM 909 CB LYS A 61 23.342 -4.419 25.420 1.00 10.37 C ATOM 910 CG LYS A 61 24.043 -5.278 26.459 1.00 12.16 C ATOM 911 CD LYS A 61 24.065 -6.748 26.087 1.00 14.17 C ATOM 912 CE LYS A 61 24.808 -7.549 27.153 1.00 13.03 C ATOM 913 NZ LYS A 61 24.882 -9.006 26.833 1.00 18.04 N ATOM 914 HA LYS A 61 22.863 -2.751 26.752 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.309 -4.754 25.327 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.850 -4.542 24.463 1.00 0.00 H ATOM 917 HG2 LYS A 61 25.070 -4.929 26.564 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.524 -5.167 27.411 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.042 -7.115 26.008 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.569 -6.870 25.128 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.291 -7.427 28.105 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.822 -7.159 27.239 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.919 -9.392 26.757 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.381 -9.136 25.930 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.396 -9.500 27.590 1.00 0.00 H ATOM 926 H LYS A 61 22.219 -2.595 23.960 1.00 0.00 H ATOM 927 N ASN A 62 25.094 -2.023 27.204 1.00 9.71 N ATOM 928 CA ASN A 62 26.436 -1.557 27.547 1.00 9.76 C ATOM 929 C ASN A 62 27.392 -2.745 27.705 1.00 10.21 C ATOM 930 O ASN A 62 27.192 -3.609 28.560 1.00 10.29 O ATOM 931 CB ASN A 62 26.388 -0.759 28.858 1.00 10.71 C ATOM 932 CG ASN A 62 27.715 -0.085 29.196 1.00 14.12 C ATOM 933 OD1 ASN A 62 28.012 0.166 30.367 1.00 13.06 O ATOM 934 ND2 ASN A 62 28.506 0.234 28.173 1.00 13.28 N ATOM 935 HA ASN A 62 26.799 -0.917 26.743 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.621 0.010 28.769 1.00 0.00 H ATOM 937 HB3 ASN A 62 26.127 -1.439 29.669 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.217 0.004 27.201 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.413 0.713 28.346 1.00 0.00 H ATOM 940 H ASN A 62 24.352 -2.000 27.933 1.00 0.00 H ATOM 941 N VAL A 63 28.429 -2.782 26.874 1.00 8.28 N ATOM 942 CA VAL A 63 29.417 -3.850 26.925 1.00 8.65 C ATOM 943 C VAL A 63 30.818 -3.246 26.902 1.00 8.79 C ATOM 944 O VAL A 63 31.009 -2.118 26.444 1.00 10.19 O ATOM 945 CB VAL A 63 29.274 -4.820 25.720 1.00 8.91 C ATOM 946 CG1 VAL A 63 27.942 -5.547 25.784 1.00 10.32 C ATOM 947 CG2 VAL A 63 29.381 -4.046 24.410 1.00 9.86 C ATOM 948 HA VAL A 63 29.253 -4.412 27.844 1.00 0.00 H ATOM 949 HB VAL A 63 30.078 -5.555 25.766 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.886 -6.119 26.710 1.00 0.00 H ATOM 951 HG12 VAL A 63 27.131 -4.820 25.754 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.857 -6.223 24.933 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.589 -3.299 24.365 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.351 -3.552 24.360 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.279 -4.736 23.572 1.00 0.00 H ATOM 956 H VAL A 63 28.538 -2.027 26.167 1.00 0.00 H ATOM 957 N ALA A 64 31.794 -3.995 27.399 1.00 8.37 N ATOM 958 CA ALA A 64 33.169 -3.514 27.425 1.00 8.40 C ATOM 959 C ALA A 64 33.717 -3.385 26.010 1.00 8.54 C ATOM 960 O ALA A 64 33.441 -4.220 25.147 1.00 8.83 O ATOM 961 CB ALA A 64 34.039 -4.464 28.234 1.00 9.58 C ATOM 962 HA ALA A 64 33.183 -2.530 27.894 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.660 -4.522 29.254 1.00 0.00 H ATOM 964 HB2 ALA A 64 34.014 -5.454 27.779 1.00 0.00 H ATOM 965 HB3 ALA A 64 35.064 -4.094 28.246 1.00 0.00 H ATOM 966 H ALA A 64 31.574 -4.939 27.775 1.00 0.00 H ATOM 967 N CYS A 65 34.468 -2.312 25.777 1.00 7.52 N ATOM 968 CA CYS A 65 35.095 -2.071 24.481 1.00 9.10 C ATOM 969 C CYS A 65 36.350 -2.920 24.427 1.00 6.09 C ATOM 970 O CYS A 65 36.927 -3.248 25.466 1.00 8.11 O ATOM 971 CB CYS A 65 35.547 -0.628 24.348 1.00 8.29 C ATOM 972 SG CYS A 65 34.283 0.666 24.350 1.00 10.15 S ATOM 973 HA CYS A 65 34.378 -2.303 23.693 1.00 0.00 H ATOM 974 HB2 CYS A 65 36.093 -0.545 23.408 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.222 -0.422 25.179 1.00 0.00 H ATOM 976 H CYS A 65 34.613 -1.623 26.542 1.00 0.00 H ATOM 977 N LYS A 66 36.794 -3.247 23.219 1.00 8.32 N ATOM 978 CA LYS A 66 38.001 -4.050 23.061 1.00 8.69 C ATOM 979 C LYS A 66 39.206 -3.373 23.711 1.00 9.04 C ATOM 980 O LYS A 66 40.112 -4.051 24.204 1.00 10.34 O ATOM 981 CB LYS A 66 38.282 -4.302 21.572 1.00 9.21 C ATOM 982 CG LYS A 66 37.373 -5.345 20.928 1.00 10.10 C ATOM 983 CD LYS A 66 37.563 -5.425 19.424 1.00 13.95 C ATOM 984 CE LYS A 66 36.729 -6.556 18.832 1.00 16.39 C ATOM 985 NZ LYS A 66 36.690 -6.531 17.339 1.00 18.23 N ATOM 986 HA LYS A 66 37.835 -5.004 23.562 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.155 -3.361 21.037 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.314 -4.639 21.472 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.595 -6.320 21.362 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.336 -5.083 21.137 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.256 -4.481 18.974 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.616 -5.605 19.206 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.710 -6.470 19.208 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.154 -7.507 19.153 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.277 -5.632 17.019 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.657 -6.622 16.967 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.109 -7.322 16.995 1.00 0.00 H ATOM 998 H LYS A 66 36.275 -2.927 22.376 1.00 0.00 H ATOM 999 N ASN A 67 39.209 -2.042 23.733 1.00 9.49 N ATOM 1000 CA ASN A 67 40.321 -1.303 24.323 1.00 11.44 C ATOM 1001 C ASN A 67 40.232 -1.176 25.842 1.00 11.20 C ATOM 1002 O ASN A 67 41.097 -0.566 26.471 1.00 14.90 O ATOM 1003 CB ASN A 67 40.436 0.092 23.690 1.00 10.97 C ATOM 1004 CG ASN A 67 39.248 0.988 24.002 1.00 11.87 C ATOM 1005 OD1 ASN A 67 38.337 0.611 24.742 1.00 11.53 O ATOM 1006 ND2 ASN A 67 39.259 2.194 23.438 1.00 9.31 N ATOM 1007 HA ASN A 67 41.217 -1.886 24.108 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.340 0.571 24.066 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.510 -0.022 22.609 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.048 2.472 22.820 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.479 2.858 23.616 1.00 0.00 H ATOM 1012 H ASN A 67 38.407 -1.521 23.324 1.00 0.00 H ATOM 1013 N GLY A 68 39.188 -1.749 26.430 1.00 11.30 N ATOM 1014 CA GLY A 68 39.032 -1.684 27.872 1.00 8.76 C ATOM 1015 C GLY A 68 38.133 -0.569 28.373 1.00 10.42 C ATOM 1016 O GLY A 68 37.750 -0.561 29.544 1.00 9.31 O ATOM 1017 HA3 GLY A 68 40.019 -1.546 28.313 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.614 -2.632 28.210 1.00 0.00 H ATOM 1019 H GLY A 68 38.479 -2.247 25.855 1.00 0.00 H ATOM 1020 N GLN A 69 37.801 0.383 27.505 1.00 10.35 N ATOM 1021 CA GLN A 69 36.926 1.480 27.901 1.00 10.11 C ATOM 1022 C GLN A 69 35.526 0.912 28.117 1.00 10.87 C ATOM 1023 O GLN A 69 35.232 -0.195 27.674 1.00 9.38 O ATOM 1024 CB GLN A 69 36.903 2.567 26.827 1.00 11.76 C ATOM 1025 CG GLN A 69 38.210 3.343 26.699 1.00 14.74 C ATOM 1026 CD GLN A 69 38.632 3.995 28.001 1.00 18.20 C ATOM 1027 OE1 GLN A 69 39.377 3.411 28.789 1.00 19.53 O ATOM 1028 NE2 GLN A 69 38.145 5.209 28.239 1.00 18.74 N ATOM 1029 HA GLN A 69 37.293 1.936 28.820 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.689 2.096 25.868 1.00 0.00 H ATOM 1031 HB3 GLN A 69 36.108 3.272 27.070 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.995 2.656 26.382 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.083 4.120 25.945 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.519 5.664 27.544 1.00 0.00 H ATOM 1035 HE21 GLN A 69 38.390 5.704 29.120 1.00 0.00 H ATOM 1036 H GLN A 69 38.170 0.344 26.533 1.00 0.00 H ATOM 1037 N THR A 70 34.663 1.671 28.783 1.00 9.27 N ATOM 1038 CA THR A 70 33.314 1.194 29.087 1.00 10.99 C ATOM 1039 C THR A 70 32.192 1.823 28.273 1.00 10.80 C ATOM 1040 O THR A 70 31.015 1.582 28.554 1.00 13.41 O ATOM 1041 CB THR A 70 32.977 1.422 30.574 1.00 11.35 C ATOM 1042 OG1 THR A 70 33.031 2.825 30.858 1.00 12.92 O ATOM 1043 CG2 THR A 70 33.972 0.701 31.474 1.00 13.14 C ATOM 1044 HA THR A 70 33.354 0.137 28.823 1.00 0.00 H ATOM 1045 HB THR A 70 31.979 1.029 30.766 1.00 0.00 H ATOM 1046 HG1 THR A 70 32.374 3.301 30.291 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.939 -0.368 31.266 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.976 1.080 31.280 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.711 0.878 32.517 1.00 0.00 H ATOM 1050 H THR A 70 34.951 2.621 29.094 1.00 0.00 H ATOM 1051 N ASN A 71 32.534 2.616 27.265 1.00 9.89 N ATOM 1052 CA ASN A 71 31.511 3.273 26.461 1.00 9.28 C ATOM 1053 C ASN A 71 31.130 2.568 25.166 1.00 8.53 C ATOM 1054 O ASN A 71 30.920 3.217 24.143 1.00 7.31 O ATOM 1055 CB ASN A 71 31.930 4.714 26.152 1.00 8.63 C ATOM 1056 CG ASN A 71 33.193 4.792 25.316 1.00 8.63 C ATOM 1057 OD1 ASN A 71 34.193 4.137 25.614 1.00 9.92 O ATOM 1058 ND2 ASN A 71 33.158 5.606 24.267 1.00 8.46 N ATOM 1059 HA ASN A 71 30.614 3.240 27.080 1.00 0.00 H ATOM 1060 HB2 ASN A 71 31.122 5.203 25.609 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.102 5.236 27.093 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.292 6.140 24.052 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.997 5.709 23.661 1.00 0.00 H ATOM 1064 H ASN A 71 33.539 2.770 27.047 1.00 0.00 H ATOM 1065 N CYS A 72 31.052 1.242 25.199 1.00 7.53 N ATOM 1066 CA CYS A 72 30.645 0.497 24.013 1.00 7.74 C ATOM 1067 C CYS A 72 29.265 -0.088 24.225 1.00 7.60 C ATOM 1068 O CYS A 72 28.881 -0.409 25.350 1.00 9.05 O ATOM 1069 CB CYS A 72 31.656 -0.595 23.663 1.00 8.43 C ATOM 1070 SG CYS A 72 33.060 0.178 22.809 1.00 8.06 S ATOM 1071 HA CYS A 72 30.611 1.185 23.168 1.00 0.00 H ATOM 1072 HB2 CYS A 72 31.190 -1.334 23.011 1.00 0.00 H ATOM 1073 HB3 CYS A 72 32.002 -1.083 24.574 1.00 0.00 H ATOM 1074 H CYS A 72 31.283 0.732 26.076 1.00 0.00 H ATOM 1075 N TYR A 73 28.517 -0.213 23.136 1.00 7.32 N ATOM 1076 CA TYR A 73 27.156 -0.716 23.207 1.00 8.74 C ATOM 1077 C TYR A 73 26.860 -1.699 22.092 1.00 9.32 C ATOM 1078 O TYR A 73 27.299 -1.511 20.960 1.00 8.59 O ATOM 1079 CB TYR A 73 26.176 0.452 23.131 1.00 7.63 C ATOM 1080 CG TYR A 73 26.438 1.496 24.182 1.00 8.72 C ATOM 1081 CD1 TYR A 73 27.403 2.484 23.983 1.00 7.95 C ATOM 1082 CD2 TYR A 73 25.783 1.449 25.410 1.00 9.16 C ATOM 1083 CE1 TYR A 73 27.715 3.394 24.984 1.00 9.72 C ATOM 1084 CE2 TYR A 73 26.088 2.352 26.416 1.00 10.27 C ATOM 1085 CZ TYR A 73 27.056 3.320 26.199 1.00 7.95 C ATOM 1086 OH TYR A 73 27.388 4.193 27.204 1.00 9.28 O ATOM 1087 HA TYR A 73 27.043 -1.242 24.155 1.00 0.00 H ATOM 1088 HB3 TYR A 73 25.164 0.069 23.264 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.261 0.916 22.148 1.00 0.00 H ATOM 1090 HD2 TYR A 73 25.019 0.691 25.582 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.569 2.301 27.373 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.472 4.160 24.815 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.921 2.542 23.026 1.00 0.00 H ATOM 1094 HH TYR A 73 28.090 4.813 26.883 1.00 0.00 H ATOM 1095 H TYR A 73 28.913 0.055 22.213 1.00 0.00 H ATOM 1096 N GLN A 74 26.097 -2.738 22.425 1.00 7.56 N ATOM 1097 CA GLN A 74 25.726 -3.777 21.468 1.00 7.51 C ATOM 1098 C GLN A 74 24.244 -3.647 21.118 1.00 8.25 C ATOM 1099 O GLN A 74 23.408 -3.470 22.003 1.00 8.99 O ATOM 1100 CB GLN A 74 25.998 -5.151 22.082 1.00 8.41 C ATOM 1101 CG GLN A 74 25.790 -6.324 21.147 1.00 10.30 C ATOM 1102 CD GLN A 74 26.226 -7.635 21.773 1.00 10.72 C ATOM 1103 OE1 GLN A 74 27.344 -7.753 22.273 1.00 14.01 O ATOM 1104 NE2 GLN A 74 25.345 -8.629 21.745 1.00 12.98 N ATOM 1105 HA GLN A 74 26.317 -3.665 20.559 1.00 0.00 H ATOM 1106 HB2 GLN A 74 27.033 -5.170 22.423 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.333 -5.277 22.936 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.732 -6.389 20.894 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.370 -6.158 20.239 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.411 -8.484 21.312 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.589 -9.552 22.157 1.00 0.00 H ATOM 1112 H GLN A 74 25.752 -2.813 23.403 1.00 0.00 H ATOM 1113 N SER A 75 23.919 -3.731 19.830 1.00 8.13 N ATOM 1114 CA SER A 75 22.530 -3.610 19.403 1.00 8.53 C ATOM 1115 C SER A 75 21.722 -4.829 19.849 1.00 9.69 C ATOM 1116 O SER A 75 22.201 -5.961 19.782 1.00 8.71 O ATOM 1117 CB SER A 75 22.447 -3.447 17.877 1.00 10.67 C ATOM 1118 OG SER A 75 22.932 -4.590 17.187 1.00 10.79 O ATOM 1119 HA SER A 75 22.106 -2.722 19.871 1.00 0.00 H ATOM 1120 HB2 SER A 75 23.041 -2.581 17.584 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.406 -3.284 17.597 1.00 0.00 H ATOM 1122 HG SER A 75 22.394 -5.381 17.442 1.00 0.00 H ATOM 1123 H SER A 75 24.664 -3.885 19.121 1.00 0.00 H ATOM 1124 N TYR A 76 20.505 -4.598 20.332 1.00 9.26 N ATOM 1125 CA TYR A 76 19.660 -5.709 20.764 1.00 10.62 C ATOM 1126 C TYR A 76 19.183 -6.516 19.561 1.00 11.17 C ATOM 1127 O TYR A 76 19.025 -7.736 19.639 1.00 12.31 O ATOM 1128 CB TYR A 76 18.452 -5.200 21.554 1.00 10.47 C ATOM 1129 CG TYR A 76 18.805 -4.668 22.923 1.00 10.40 C ATOM 1130 CD1 TYR A 76 19.407 -5.490 23.879 1.00 9.32 C ATOM 1131 CD2 TYR A 76 18.554 -3.342 23.258 1.00 9.24 C ATOM 1132 CE1 TYR A 76 19.750 -4.998 25.138 1.00 7.46 C ATOM 1133 CE2 TYR A 76 18.895 -2.841 24.509 1.00 9.02 C ATOM 1134 CZ TYR A 76 19.492 -3.671 25.442 1.00 8.99 C ATOM 1135 OH TYR A 76 19.834 -3.169 26.676 1.00 9.01 O ATOM 1136 HA TYR A 76 20.257 -6.351 21.412 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.747 -6.023 21.675 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.980 -4.400 20.984 1.00 0.00 H ATOM 1139 HD2 TYR A 76 18.082 -2.685 22.528 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.693 -1.798 24.754 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.216 -5.651 25.876 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.612 -6.533 23.637 1.00 0.00 H ATOM 1143 HH TYR A 76 20.247 -3.886 27.220 1.00 0.00 H ATOM 1144 H TYR A 76 20.153 -3.622 20.403 1.00 0.00 H ATOM 1145 N SER A 77 18.949 -5.836 18.445 1.00 13.03 N ATOM 1146 CA SER A 77 18.506 -6.520 17.233 1.00 13.42 C ATOM 1147 C SER A 77 19.686 -6.685 16.285 1.00 14.03 C ATOM 1148 O SER A 77 20.669 -5.950 16.373 1.00 12.24 O ATOM 1149 CB SER A 77 17.397 -5.720 16.541 1.00 16.90 C ATOM 1150 OG SER A 77 16.222 -5.671 17.336 1.00 20.27 O ATOM 1151 HA SER A 77 18.112 -7.499 17.504 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.161 -6.192 15.587 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.749 -4.704 16.365 1.00 0.00 H ATOM 1154 HG SER A 77 15.526 -5.149 16.863 1.00 0.00 H ATOM 1155 H SER A 77 19.083 -4.805 18.434 1.00 0.00 H ATOM 1156 N THR A 78 19.609 -7.669 15.395 1.00 12.31 N ATOM 1157 CA THR A 78 20.687 -7.851 14.437 1.00 12.25 C ATOM 1158 C THR A 78 20.488 -6.783 13.377 1.00 11.96 C ATOM 1159 O THR A 78 19.372 -6.290 13.179 1.00 11.65 O ATOM 1160 CB THR A 78 20.648 -9.239 13.751 1.00 14.81 C ATOM 1161 OG1 THR A 78 19.418 -9.387 13.030 1.00 16.92 O ATOM 1162 CG2 THR A 78 20.782 -10.351 14.784 1.00 15.54 C ATOM 1163 HA THR A 78 21.645 -7.779 14.952 1.00 0.00 H ATOM 1164 HB THR A 78 21.485 -9.310 13.057 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.353 -8.678 12.342 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.720 -10.230 15.327 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.947 -10.299 15.483 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.775 -11.317 14.279 1.00 0.00 H ATOM 1169 H THR A 78 18.785 -8.303 15.384 1.00 0.00 H ATOM 1170 N MET A 79 21.577 -6.410 12.717 1.00 9.12 N ATOM 1171 CA MET A 79 21.525 -5.409 11.666 1.00 10.25 C ATOM 1172 C MET A 79 22.217 -5.928 10.426 1.00 10.24 C ATOM 1173 O MET A 79 23.102 -6.785 10.502 1.00 10.10 O ATOM 1174 CB MET A 79 22.207 -4.116 12.112 1.00 10.33 C ATOM 1175 CG MET A 79 21.585 -3.499 13.342 1.00 9.87 C ATOM 1176 SD MET A 79 22.266 -1.879 13.678 1.00 11.28 S ATOM 1177 CE MET A 79 20.986 -1.212 14.711 1.00 11.92 C ATOM 1178 HA MET A 79 20.477 -5.201 11.448 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.253 -4.334 12.327 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.147 -3.395 11.297 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.773 -4.147 14.198 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.510 -3.407 13.187 1.00 0.00 H ATOM 1183 HE1 MET A 79 20.048 -1.192 14.157 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.873 -1.837 15.597 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.254 -0.199 15.011 1.00 0.00 H ATOM 1186 H MET A 79 22.490 -6.845 12.958 1.00 0.00 H ATOM 1187 N SER A 80 21.801 -5.407 9.280 1.00 10.23 N ATOM 1188 CA SER A 80 22.394 -5.791 8.011 1.00 11.36 C ATOM 1189 C SER A 80 23.718 -5.040 7.870 1.00 11.40 C ATOM 1190 O SER A 80 23.749 -3.811 7.942 1.00 12.37 O ATOM 1191 CB SER A 80 21.457 -5.413 6.868 1.00 12.50 C ATOM 1192 OG SER A 80 22.076 -5.637 5.614 1.00 14.70 O ATOM 1193 HA SER A 80 22.562 -6.867 7.976 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.195 -4.358 6.954 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.552 -6.017 6.933 1.00 0.00 H ATOM 1196 HG SER A 80 21.451 -5.385 4.889 1.00 0.00 H ATOM 1197 H SER A 80 21.032 -4.707 9.290 1.00 0.00 H ATOM 1198 N ILE A 81 24.807 -5.779 7.681 1.00 11.45 N ATOM 1199 CA ILE A 81 26.120 -5.159 7.535 1.00 13.34 C ATOM 1200 C ILE A 81 26.899 -5.763 6.380 1.00 14.39 C ATOM 1201 O ILE A 81 26.498 -6.774 5.804 1.00 14.48 O ATOM 1202 CB ILE A 81 26.983 -5.328 8.808 1.00 13.03 C ATOM 1203 CG1 ILE A 81 27.349 -6.804 9.012 1.00 14.22 C ATOM 1204 CG2 ILE A 81 26.230 -4.784 10.018 1.00 13.57 C ATOM 1205 CD1 ILE A 81 28.292 -7.052 10.177 1.00 14.33 C ATOM 1206 HA ILE A 81 25.926 -4.102 7.351 1.00 0.00 H ATOM 1207 HB ILE A 81 27.908 -4.763 8.690 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.431 -7.364 9.189 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.825 -7.168 8.102 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.223 -6.509 10.011 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.827 -6.705 11.100 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.501 -8.119 10.253 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.015 -3.726 9.865 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.296 -5.332 10.140 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.843 -4.906 10.911 1.00 0.00 H ATOM 1216 H ILE A 81 24.722 -6.815 7.637 1.00 0.00 H ATOM 1217 N THR A 82 28.015 -5.124 6.048 1.00 14.10 N ATOM 1218 CA THR A 82 28.899 -5.598 4.990 1.00 14.30 C ATOM 1219 C THR A 82 30.319 -5.397 5.488 1.00 14.83 C ATOM 1220 O THR A 82 30.724 -4.272 5.784 1.00 15.66 O ATOM 1221 CB THR A 82 28.733 -4.791 3.683 1.00 14.09 C ATOM 1222 OG1 THR A 82 27.428 -5.004 3.136 1.00 13.08 O ATOM 1223 CG2 THR A 82 29.778 -5.218 2.658 1.00 16.20 C ATOM 1224 HA THR A 82 28.664 -6.639 4.769 1.00 0.00 H ATOM 1225 HB THR A 82 28.865 -3.734 3.915 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.745 -4.709 3.790 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.775 -5.058 3.069 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.645 -6.274 2.424 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.658 -4.626 1.751 1.00 0.00 H ATOM 1230 H THR A 82 28.267 -4.255 6.561 1.00 0.00 H ATOM 1231 N ASP A 83 31.072 -6.484 5.611 1.00 14.45 N ATOM 1232 CA ASP A 83 32.450 -6.372 6.058 1.00 16.81 C ATOM 1233 C ASP A 83 33.344 -6.302 4.838 1.00 16.66 C ATOM 1234 O ASP A 83 33.151 -7.043 3.876 1.00 15.49 O ATOM 1235 CB ASP A 83 32.866 -7.577 6.904 1.00 17.71 C ATOM 1236 CG ASP A 83 32.143 -7.633 8.226 1.00 21.62 C ATOM 1237 OD1 ASP A 83 32.070 -6.587 8.904 1.00 19.17 O ATOM 1238 OD2 ASP A 83 31.657 -8.727 8.589 1.00 23.42 O ATOM 1239 HA ASP A 83 32.544 -5.476 6.672 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.647 -8.488 6.347 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.938 -7.518 7.094 1.00 0.00 H ATOM 1242 H ASP A 83 30.674 -7.418 5.387 1.00 0.00 H ATOM 1243 N CYS A 84 34.310 -5.395 4.876 1.00 16.27 N ATOM 1244 CA CYS A 84 35.252 -5.252 3.782 1.00 16.93 C ATOM 1245 C CYS A 84 36.620 -5.653 4.303 1.00 18.59 C ATOM 1246 O CYS A 84 37.161 -5.022 5.213 1.00 18.27 O ATOM 1247 CB CYS A 84 35.277 -3.812 3.279 1.00 13.27 C ATOM 1248 SG CYS A 84 33.722 -3.255 2.518 1.00 13.11 S ATOM 1249 HA CYS A 84 34.959 -5.886 2.945 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.071 -3.723 2.537 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.496 -3.159 4.124 1.00 0.00 H ATOM 1252 H CYS A 84 34.394 -4.774 5.706 1.00 0.00 H ATOM 1253 N ARG A 85 37.164 -6.719 3.724 1.00 21.31 N ATOM 1254 CA ARG A 85 38.464 -7.247 4.112 1.00 24.79 C ATOM 1255 C ARG A 85 39.423 -7.177 2.930 1.00 26.20 C ATOM 1256 O ARG A 85 39.112 -7.659 1.839 1.00 25.78 O ATOM 1257 CB ARG A 85 38.315 -8.703 4.569 1.00 26.93 C ATOM 1258 CG ARG A 85 39.623 -9.390 4.936 1.00 32.47 C ATOM 1259 CD ARG A 85 39.389 -10.851 5.306 1.00 36.70 C ATOM 1260 NE ARG A 85 40.628 -11.544 5.659 1.00 40.49 N ATOM 1261 CZ ARG A 85 40.695 -12.827 6.006 1.00 42.22 C ATOM 1262 NH1 ARG A 85 39.592 -13.564 6.050 1.00 42.64 N ATOM 1263 NH2 ARG A 85 41.865 -13.375 6.310 1.00 42.59 N ATOM 1264 HA ARG A 85 38.862 -6.650 4.933 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.665 -8.720 5.444 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.850 -9.267 3.761 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.302 -9.342 4.085 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.071 -8.874 5.786 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.934 -11.359 4.456 1.00 0.00 H ATOM 1270 HD3 ARG A 85 38.710 -10.892 6.158 1.00 0.00 H ATOM 1271 HE ARG A 85 41.513 -10.999 5.637 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.647 -14.566 6.321 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.673 -13.139 5.813 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.915 -14.378 6.581 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.732 -12.802 6.277 1.00 0.00 H ATOM 1276 H ARG A 85 36.639 -7.195 2.963 1.00 0.00 H ATOM 1277 N GLU A 86 40.585 -6.574 3.153 1.00 27.65 N ATOM 1278 CA GLU A 86 41.588 -6.439 2.105 1.00 30.24 C ATOM 1279 C GLU A 86 42.123 -7.798 1.667 1.00 31.40 C ATOM 1280 O GLU A 86 42.393 -8.665 2.497 1.00 32.08 O ATOM 1281 CB GLU A 86 42.743 -5.559 2.594 1.00 30.13 C ATOM 1282 CG GLU A 86 43.915 -5.474 1.628 1.00 32.22 C ATOM 1283 CD GLU A 86 44.972 -4.485 2.076 1.00 32.67 C ATOM 1284 OE1 GLU A 86 45.375 -4.540 3.256 1.00 33.81 O ATOM 1285 OE2 GLU A 86 45.405 -3.658 1.247 1.00 32.21 O ATOM 1286 HA GLU A 86 41.111 -5.970 1.244 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.360 -4.552 2.757 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.107 -5.965 3.538 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.372 -6.460 1.546 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.541 -5.166 0.652 1.00 0.00 H ATOM 1291 H GLU A 86 40.784 -6.189 4.098 1.00 0.00 H ATOM 1292 N THR A 87 42.264 -7.979 0.356 1.00 32.66 N ATOM 1293 CA THR A 87 42.776 -9.232 -0.186 1.00 34.66 C ATOM 1294 C THR A 87 44.277 -9.317 0.060 1.00 35.82 C ATOM 1295 O THR A 87 44.875 -8.403 0.634 1.00 36.27 O ATOM 1296 CB THR A 87 42.528 -9.339 -1.703 1.00 34.91 C ATOM 1297 OG1 THR A 87 43.200 -8.266 -2.373 1.00 35.59 O ATOM 1298 CG2 THR A 87 41.039 -9.271 -2.007 1.00 35.14 C ATOM 1299 HA THR A 87 42.251 -10.046 0.314 1.00 0.00 H ATOM 1300 HB THR A 87 42.914 -10.296 -2.054 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.851 -7.401 -2.041 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.528 -10.088 -1.497 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.641 -8.318 -1.659 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.885 -9.359 -3.082 1.00 0.00 H ATOM 1305 H THR A 87 42.004 -7.211 -0.295 1.00 0.00 H ATOM 1306 N GLY A 88 44.882 -10.416 -0.378 1.00 36.77 N ATOM 1307 CA GLY A 88 46.310 -10.596 -0.192 1.00 37.04 C ATOM 1308 C GLY A 88 47.132 -9.932 -1.280 1.00 36.42 C ATOM 1309 O GLY A 88 48.227 -9.434 -1.020 1.00 37.36 O ATOM 1310 HA3 GLY A 88 46.530 -11.664 -0.191 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.593 -10.168 0.769 1.00 0.00 H ATOM 1312 H GLY A 88 44.328 -11.153 -0.858 1.00 0.00 H ATOM 1313 N SER A 89 46.603 -9.921 -2.500 1.00 36.28 N ATOM 1314 CA SER A 89 47.297 -9.319 -3.633 1.00 34.92 C ATOM 1315 C SER A 89 47.071 -7.813 -3.696 1.00 34.19 C ATOM 1316 O SER A 89 47.614 -7.132 -4.566 1.00 33.70 O ATOM 1317 CB SER A 89 46.825 -9.959 -4.939 1.00 35.86 C ATOM 1318 OG SER A 89 45.448 -9.713 -5.160 1.00 37.65 O ATOM 1319 HA SER A 89 48.364 -9.498 -3.497 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.991 -11.035 -4.889 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.399 -9.543 -5.767 1.00 0.00 H ATOM 1322 HG SER A 89 45.170 -10.138 -6.010 1.00 0.00 H ATOM 1323 H SER A 89 45.669 -10.353 -2.650 1.00 0.00 H ATOM 1324 N SER A 90 46.265 -7.300 -2.771 1.00 31.88 N ATOM 1325 CA SER A 90 45.962 -5.875 -2.711 1.00 29.45 C ATOM 1326 C SER A 90 47.205 -5.035 -2.427 1.00 27.88 C ATOM 1327 O SER A 90 47.865 -5.217 -1.402 1.00 28.27 O ATOM 1328 CB SER A 90 44.909 -5.616 -1.631 1.00 28.50 C ATOM 1329 OG SER A 90 44.722 -4.229 -1.423 1.00 26.12 O ATOM 1330 HA SER A 90 45.579 -5.579 -3.687 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.235 -6.075 -0.698 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.963 -6.060 -1.942 1.00 0.00 H ATOM 1333 HG SER A 90 45.577 -3.821 -1.136 1.00 0.00 H ATOM 1334 H SER A 90 45.837 -7.936 -2.068 1.00 0.00 H ATOM 1335 N LYS A 91 47.517 -4.116 -3.338 1.00 26.18 N ATOM 1336 CA LYS A 91 48.677 -3.238 -3.190 1.00 25.18 C ATOM 1337 C LYS A 91 48.303 -1.775 -3.415 1.00 22.98 C ATOM 1338 O LYS A 91 47.837 -1.401 -4.490 1.00 22.07 O ATOM 1339 CB LYS A 91 49.779 -3.627 -4.184 1.00 26.39 C ATOM 1340 CG LYS A 91 50.393 -5.004 -3.964 1.00 27.35 C ATOM 1341 CD LYS A 91 51.129 -5.091 -2.634 1.00 28.49 C ATOM 1342 CE LYS A 91 51.752 -6.470 -2.439 1.00 28.22 C ATOM 1343 NZ LYS A 91 52.428 -6.604 -1.116 1.00 28.17 N ATOM 1344 HA LYS A 91 49.041 -3.357 -2.170 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.353 -3.604 -5.187 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.576 -2.887 -4.112 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.599 -5.751 -3.977 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.097 -5.209 -4.771 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.917 -4.338 -2.613 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.425 -4.901 -1.824 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.486 -6.638 -3.227 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.967 -7.223 -2.510 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 53.185 -5.895 -1.041 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.734 -6.453 -0.356 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.835 -7.557 -1.031 1.00 0.00 H ATOM 1356 H LYS A 91 46.917 -4.019 -4.182 1.00 0.00 H ATOM 1357 N TYR A 92 48.509 -0.954 -2.390 1.00 21.71 N ATOM 1358 CA TYR A 92 48.212 0.471 -2.466 1.00 20.59 C ATOM 1359 C TYR A 92 48.907 1.046 -3.700 1.00 21.10 C ATOM 1360 O TYR A 92 50.033 0.662 -4.015 1.00 20.64 O ATOM 1361 CB TYR A 92 48.739 1.166 -1.210 1.00 20.42 C ATOM 1362 CG TYR A 92 48.488 2.654 -1.158 1.00 22.19 C ATOM 1363 CD1 TYR A 92 47.263 3.164 -0.726 1.00 22.93 C ATOM 1364 CD2 TYR A 92 49.484 3.558 -1.524 1.00 23.42 C ATOM 1365 CE1 TYR A 92 47.037 4.537 -0.659 1.00 23.22 C ATOM 1366 CE2 TYR A 92 49.270 4.929 -1.460 1.00 24.09 C ATOM 1367 CZ TYR A 92 48.047 5.412 -1.027 1.00 24.77 C ATOM 1368 OH TYR A 92 47.844 6.769 -0.952 1.00 23.85 O ATOM 1369 HA TYR A 92 47.136 0.629 -2.537 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.815 1.001 -1.157 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.260 0.710 -0.343 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.448 3.182 -1.867 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.061 5.621 -1.749 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.074 4.920 -0.320 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.469 2.476 -0.436 1.00 0.00 H ATOM 1376 HH TYR A 92 46.926 6.947 -0.627 1.00 0.00 H ATOM 1377 H TYR A 92 48.895 -1.341 -1.505 1.00 0.00 H ATOM 1378 N PRO A 93 48.258 1.989 -4.403 1.00 21.30 N ATOM 1379 CA PRO A 93 46.935 2.567 -4.142 1.00 21.71 C ATOM 1380 C PRO A 93 45.764 1.766 -4.716 1.00 22.47 C ATOM 1381 O PRO A 93 44.612 2.178 -4.593 1.00 22.77 O ATOM 1382 CB PRO A 93 47.043 3.944 -4.778 1.00 22.76 C ATOM 1383 CG PRO A 93 47.854 3.652 -6.001 1.00 22.94 C ATOM 1384 CD PRO A 93 48.949 2.739 -5.469 1.00 21.71 C ATOM 1385 HA PRO A 93 46.707 2.580 -3.076 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.315 2.069 -6.247 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.782 3.316 -5.067 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.274 4.566 -6.421 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.255 3.147 -6.759 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.061 4.340 -5.037 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.555 4.647 -4.120 1.00 0.00 H ATOM 1392 N ASN A 94 46.057 0.633 -5.346 1.00 22.38 N ATOM 1393 CA ASN A 94 45.011 -0.203 -5.928 1.00 23.73 C ATOM 1394 C ASN A 94 44.502 -1.194 -4.886 1.00 22.72 C ATOM 1395 O ASN A 94 44.685 -2.404 -5.019 1.00 24.07 O ATOM 1396 CB ASN A 94 45.548 -0.962 -7.144 1.00 26.67 C ATOM 1397 CG ASN A 94 46.044 -0.037 -8.241 1.00 30.13 C ATOM 1398 OD1 ASN A 94 47.031 0.682 -8.068 1.00 33.04 O ATOM 1399 ND2 ASN A 94 45.359 -0.050 -9.378 1.00 31.51 N ATOM 1400 HA ASN A 94 44.190 0.438 -6.249 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.374 -1.596 -6.822 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.749 -1.585 -7.547 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.532 -0.673 -9.480 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.649 0.563 -10.167 1.00 0.00 H ATOM 1405 H ASN A 94 47.051 0.336 -5.426 1.00 0.00 H ATOM 1406 N CYS A 95 43.855 -0.672 -3.851 1.00 21.66 N ATOM 1407 CA CYS A 95 43.339 -1.508 -2.776 1.00 20.08 C ATOM 1408 C CYS A 95 42.189 -2.406 -3.222 1.00 18.32 C ATOM 1409 O CYS A 95 41.227 -1.941 -3.834 1.00 20.95 O ATOM 1410 CB CYS A 95 42.888 -0.625 -1.615 1.00 19.60 C ATOM 1411 SG CYS A 95 44.173 0.535 -1.041 1.00 21.30 S ATOM 1412 HA CYS A 95 44.149 -2.166 -2.461 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.606 -1.268 -0.781 1.00 0.00 H ATOM 1414 HB3 CYS A 95 42.021 -0.048 -1.937 1.00 0.00 H ATOM 1415 H CYS A 95 43.713 0.357 -3.807 1.00 0.00 H ATOM 1416 N ALA A 96 42.300 -3.695 -2.913 1.00 18.05 N ATOM 1417 CA ALA A 96 41.279 -4.674 -3.276 1.00 17.13 C ATOM 1418 C ALA A 96 40.666 -5.299 -2.023 1.00 16.82 C ATOM 1419 O ALA A 96 41.373 -5.588 -1.054 1.00 14.82 O ATOM 1420 CB ALA A 96 41.887 -5.764 -4.164 1.00 18.07 C ATOM 1421 HA ALA A 96 40.491 -4.164 -3.830 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.287 -5.311 -5.071 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.689 -6.266 -3.623 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.116 -6.488 -4.428 1.00 0.00 H ATOM 1425 H ALA A 96 43.143 -4.017 -2.395 1.00 0.00 H ATOM 1426 N TYR A 97 39.350 -5.500 -2.052 1.00 17.43 N ATOM 1427 CA TYR A 97 38.628 -6.071 -0.920 1.00 18.92 C ATOM 1428 C TYR A 97 37.617 -7.144 -1.297 1.00 19.12 C ATOM 1429 O TYR A 97 37.127 -7.202 -2.427 1.00 20.16 O ATOM 1430 CB TYR A 97 37.865 -4.984 -0.158 1.00 17.04 C ATOM 1431 CG TYR A 97 38.726 -3.910 0.445 1.00 16.17 C ATOM 1432 CD1 TYR A 97 39.214 -2.862 -0.332 1.00 16.85 C ATOM 1433 CD2 TYR A 97 39.070 -3.951 1.795 1.00 15.13 C ATOM 1434 CE1 TYR A 97 40.028 -1.878 0.221 1.00 16.33 C ATOM 1435 CE2 TYR A 97 39.884 -2.977 2.358 1.00 16.62 C ATOM 1436 CZ TYR A 97 40.361 -1.943 1.566 1.00 17.21 C ATOM 1437 OH TYR A 97 41.171 -0.978 2.121 1.00 17.31 O ATOM 1438 HA TYR A 97 39.404 -6.531 -0.309 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.307 -5.463 0.647 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.168 -4.511 -0.850 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.694 -4.761 2.419 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.146 -3.025 3.415 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.401 -1.062 -0.398 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.954 -2.812 -1.389 1.00 0.00 H ATOM 1445 HH TYR A 97 40.684 -0.520 2.851 1.00 0.00 H ATOM 1446 H TYR A 97 38.820 -5.242 -2.909 1.00 0.00 H ATOM 1447 N LYS A 98 37.300 -7.978 -0.314 1.00 22.38 N ATOM 1448 CA LYS A 98 36.314 -9.037 -0.463 1.00 23.20 C ATOM 1449 C LYS A 98 35.052 -8.514 0.220 1.00 23.74 C ATOM 1450 O LYS A 98 35.110 -8.049 1.359 1.00 25.53 O ATOM 1451 CB LYS A 98 36.799 -10.310 0.233 1.00 25.26 C ATOM 1452 CG LYS A 98 35.739 -11.398 0.361 1.00 27.69 C ATOM 1453 CD LYS A 98 36.317 -12.678 0.957 1.00 30.50 C ATOM 1454 CE LYS A 98 36.915 -12.447 2.341 1.00 31.81 C ATOM 1455 NZ LYS A 98 35.898 -11.992 3.330 1.00 32.71 N ATOM 1456 HA LYS A 98 36.138 -9.285 -1.510 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.636 -10.714 -0.337 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.138 -10.044 1.234 1.00 0.00 H ATOM 1459 HG2 LYS A 98 34.938 -11.037 1.006 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.336 -11.618 -0.628 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.522 -13.419 1.037 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.097 -13.053 0.295 1.00 0.00 H ATOM 1463 HE2 LYS A 98 37.693 -11.688 2.264 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.353 -13.381 2.694 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.478 -11.097 3.007 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.154 -12.713 3.417 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.354 -11.849 4.254 1.00 0.00 H ATOM 1468 H LYS A 98 37.778 -7.869 0.603 1.00 0.00 H ATOM 1469 N THR A 99 33.923 -8.572 -0.480 1.00 24.27 N ATOM 1470 CA THR A 99 32.654 -8.093 0.059 1.00 23.31 C ATOM 1471 C THR A 99 31.846 -9.229 0.676 1.00 24.76 C ATOM 1472 O THR A 99 31.435 -10.156 -0.021 1.00 24.30 O ATOM 1473 CB THR A 99 31.806 -7.429 -1.043 1.00 23.44 C ATOM 1474 OG1 THR A 99 32.533 -6.330 -1.604 1.00 22.56 O ATOM 1475 CG2 THR A 99 30.486 -6.925 -0.475 1.00 21.20 C ATOM 1476 HA THR A 99 32.894 -7.363 0.832 1.00 0.00 H ATOM 1477 HB THR A 99 31.594 -8.169 -1.815 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.381 -6.661 -1.993 1.00 0.00 H ATOM 1479 HG23 THR A 99 29.933 -7.761 -0.048 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.684 -6.185 0.301 1.00 0.00 H ATOM 1481 HG22 THR A 99 29.899 -6.469 -1.272 1.00 0.00 H ATOM 1482 H THR A 99 33.945 -8.971 -1.440 1.00 0.00 H ATOM 1483 N THR A 100 31.612 -9.145 1.981 1.00 24.46 N ATOM 1484 CA THR A 100 30.856 -10.174 2.683 1.00 25.12 C ATOM 1485 C THR A 100 29.687 -9.590 3.465 1.00 23.37 C ATOM 1486 O THR A 100 29.875 -8.804 4.394 1.00 24.41 O ATOM 1487 CB THR A 100 31.761 -10.955 3.648 1.00 24.88 C ATOM 1488 OG1 THR A 100 32.861 -11.515 2.916 1.00 28.22 O ATOM 1489 CG2 THR A 100 30.985 -12.084 4.314 1.00 26.85 C ATOM 1490 HA THR A 100 30.463 -10.846 1.920 1.00 0.00 H ATOM 1491 HB THR A 100 32.125 -10.272 4.416 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.379 -10.786 2.491 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.147 -11.667 4.873 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.611 -12.766 3.550 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.644 -12.624 4.994 1.00 0.00 H ATOM 1496 H THR A 100 31.976 -8.328 2.512 1.00 0.00 H ATOM 1497 N GLN A 101 28.481 -9.985 3.077 1.00 22.05 N ATOM 1498 CA GLN A 101 27.260 -9.522 3.721 1.00 19.81 C ATOM 1499 C GLN A 101 26.947 -10.407 4.920 1.00 18.73 C ATOM 1500 O GLN A 101 27.278 -11.590 4.924 1.00 18.27 O ATOM 1501 CB GLN A 101 26.099 -9.575 2.727 1.00 20.52 C ATOM 1502 CG GLN A 101 24.746 -9.267 3.334 1.00 23.86 C ATOM 1503 CD GLN A 101 24.627 -7.835 3.811 1.00 24.19 C ATOM 1504 OE1 GLN A 101 23.714 -7.495 4.569 1.00 24.77 O ATOM 1505 NE2 GLN A 101 25.542 -6.981 3.359 1.00 22.65 N ATOM 1506 HA GLN A 101 27.399 -8.494 4.057 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.292 -8.850 1.937 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.061 -10.576 2.298 1.00 0.00 H ATOM 1509 HG2 GLN A 101 23.978 -9.449 2.582 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.586 -9.931 4.183 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.294 -7.313 2.722 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.506 -5.981 3.643 1.00 0.00 H ATOM 1513 H GLN A 101 28.405 -10.651 2.282 1.00 0.00 H ATOM 1514 N ALA A 102 26.308 -9.833 5.934 1.00 16.72 N ATOM 1515 CA ALA A 102 25.952 -10.588 7.130 1.00 15.12 C ATOM 1516 C ALA A 102 24.881 -9.865 7.939 1.00 14.59 C ATOM 1517 O ALA A 102 24.601 -8.689 7.715 1.00 13.98 O ATOM 1518 CB ALA A 102 27.195 -10.814 7.994 1.00 17.27 C ATOM 1519 HA ALA A 102 25.549 -11.551 6.816 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.936 -11.373 7.423 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.612 -9.851 8.288 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.919 -11.379 8.885 1.00 0.00 H ATOM 1523 H ALA A 102 26.057 -8.826 5.874 1.00 0.00 H ATOM 1524 N ASN A 103 24.272 -10.586 8.874 1.00 15.72 N ATOM 1525 CA ASN A 103 23.254 -10.017 9.749 1.00 14.58 C ATOM 1526 C ASN A 103 23.697 -10.347 11.166 1.00 14.66 C ATOM 1527 O ASN A 103 23.563 -11.486 11.617 1.00 15.64 O ATOM 1528 CB ASN A 103 21.890 -10.642 9.458 1.00 16.22 C ATOM 1529 CG ASN A 103 21.348 -10.247 8.101 1.00 17.55 C ATOM 1530 OD1 ASN A 103 20.744 -9.185 7.945 1.00 20.75 O ATOM 1531 ND2 ASN A 103 21.574 -11.096 7.106 1.00 20.05 N ATOM 1532 HA ASN A 103 23.151 -8.942 9.600 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.988 -11.727 9.493 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.186 -10.317 10.224 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.089 -11.982 7.285 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.236 -10.876 6.147 1.00 0.00 H ATOM 1537 H ASN A 103 24.529 -11.587 8.985 1.00 0.00 H ATOM 1538 N LYS A 104 24.236 -9.350 11.862 1.00 12.20 N ATOM 1539 CA LYS A 104 24.736 -9.548 13.218 1.00 12.62 C ATOM 1540 C LYS A 104 24.479 -8.330 14.094 1.00 11.53 C ATOM 1541 O LYS A 104 24.088 -7.268 13.608 1.00 11.37 O ATOM 1542 CB LYS A 104 26.248 -9.808 13.179 1.00 15.30 C ATOM 1543 CG LYS A 104 26.672 -10.962 12.278 1.00 16.40 C ATOM 1544 CD LYS A 104 28.189 -11.032 12.111 1.00 20.12 C ATOM 1545 CE LYS A 104 28.896 -11.373 13.413 1.00 23.67 C ATOM 1546 NZ LYS A 104 30.367 -11.575 13.228 1.00 25.25 N ATOM 1547 HA LYS A 104 24.208 -10.403 13.641 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.740 -8.902 12.825 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.581 -10.028 14.193 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.323 -11.897 12.716 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.216 -10.829 11.297 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.426 -11.797 11.372 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.549 -10.065 11.759 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.465 -12.289 13.816 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.741 -10.558 14.120 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.527 -12.357 12.561 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.791 -10.703 12.851 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.802 -11.805 14.144 1.00 0.00 H ATOM 1559 H LYS A 104 24.303 -8.407 11.429 1.00 0.00 H ATOM 1560 N HIS A 105 24.668 -8.495 15.365 1.00 10.72 N ATOM 1561 CA HIS A 105 24.564 -7.428 16.338 1.00 9.91 C ATOM 1562 C HIS A 105 25.817 -6.587 16.227 1.00 10.52 C ATOM 1563 O HIS A 105 26.905 -7.162 16.194 1.00 10.85 O ATOM 1564 CB HIS A 105 24.494 -8.055 17.731 1.00 10.91 C ATOM 1565 CG HIS A 105 23.205 -8.858 17.946 1.00 12.24 C ATOM 1566 ND1 HIS A 105 23.185 -10.241 18.026 1.00 13.96 N ATOM 1567 CD2 HIS A 105 21.925 -8.418 18.055 1.00 15.32 C ATOM 1568 CE1 HIS A 105 21.936 -10.619 18.183 1.00 14.34 C ATOM 1569 NE2 HIS A 105 21.146 -9.538 18.197 1.00 17.46 N ATOM 1570 HA HIS A 105 23.679 -6.815 16.167 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.347 -8.721 17.859 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.540 -7.260 18.476 1.00 0.00 H ATOM 1573 HD2 HIS A 105 21.585 -7.383 18.034 1.00 0.00 H ATOM 1574 HE1 HIS A 105 21.597 -11.650 18.286 1.00 0.00 H ATOM 1575 H HIS A 105 24.908 -9.448 15.706 1.00 0.00 H ATOM 1576 N ILE A 106 25.708 -5.265 16.182 1.00 8.39 N ATOM 1577 CA ILE A 106 26.915 -4.451 16.088 1.00 9.76 C ATOM 1578 C ILE A 106 27.293 -3.886 17.449 1.00 8.92 C ATOM 1579 O ILE A 106 26.443 -3.741 18.331 1.00 9.72 O ATOM 1580 CB ILE A 106 26.757 -3.266 15.091 1.00 8.74 C ATOM 1581 CG1 ILE A 106 25.697 -2.279 15.591 1.00 10.01 C ATOM 1582 CG2 ILE A 106 26.390 -3.793 13.714 1.00 11.40 C ATOM 1583 CD1 ILE A 106 25.585 -1.013 14.756 1.00 10.59 C ATOM 1584 HA ILE A 106 27.699 -5.113 15.721 1.00 0.00 H ATOM 1585 HB ILE A 106 27.707 -2.736 15.022 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.730 -2.782 15.583 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.949 -1.994 16.613 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.541 -0.489 14.763 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.321 -1.277 13.732 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.813 -0.369 15.177 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.177 -4.459 13.360 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.449 -4.340 13.775 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.282 -2.957 13.023 1.00 0.00 H ATOM 1594 H ILE A 106 24.771 -4.814 16.213 1.00 0.00 H ATOM 1595 N ILE A 107 28.578 -3.594 17.623 1.00 8.22 N ATOM 1596 CA ILE A 107 29.073 -3.015 18.866 1.00 8.80 C ATOM 1597 C ILE A 107 29.818 -1.738 18.500 1.00 10.08 C ATOM 1598 O ILE A 107 30.789 -1.775 17.738 1.00 10.73 O ATOM 1599 CB ILE A 107 30.033 -3.976 19.611 1.00 9.54 C ATOM 1600 CG1 ILE A 107 29.292 -5.256 20.010 1.00 9.69 C ATOM 1601 CG2 ILE A 107 30.578 -3.306 20.867 1.00 9.90 C ATOM 1602 CD1 ILE A 107 29.023 -6.201 18.850 1.00 17.55 C ATOM 1603 HA ILE A 107 28.234 -2.820 19.534 1.00 0.00 H ATOM 1604 HB ILE A 107 30.858 -4.224 18.943 1.00 0.00 H ATOM 1605 HG12 ILE A 107 29.893 -5.784 20.750 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.336 -4.975 20.453 1.00 0.00 H ATOM 1607 HD11 ILE A 107 28.412 -5.694 18.104 1.00 0.00 H ATOM 1608 HD12 ILE A 107 29.970 -6.503 18.402 1.00 0.00 H ATOM 1609 HD13 ILE A 107 28.496 -7.082 19.216 1.00 0.00 H ATOM 1610 HG21 ILE A 107 31.121 -2.403 20.589 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.750 -3.045 21.527 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.251 -3.993 21.381 1.00 0.00 H ATOM 1613 H ILE A 107 29.249 -3.784 16.851 1.00 0.00 H ATOM 1614 N VAL A 108 29.354 -0.608 19.024 1.00 9.60 N ATOM 1615 CA VAL A 108 29.989 0.670 18.730 1.00 10.06 C ATOM 1616 C VAL A 108 30.330 1.428 20.006 1.00 9.19 C ATOM 1617 O VAL A 108 29.776 1.155 21.069 1.00 8.85 O ATOM 1618 CB VAL A 108 29.076 1.577 17.857 1.00 8.66 C ATOM 1619 CG1 VAL A 108 28.754 0.889 16.537 1.00 11.10 C ATOM 1620 CG2 VAL A 108 27.779 1.910 18.606 1.00 8.12 C ATOM 1621 HA VAL A 108 30.903 0.437 18.183 1.00 0.00 H ATOM 1622 HB VAL A 108 29.609 2.505 17.650 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.680 0.690 15.997 1.00 0.00 H ATOM 1624 HG12 VAL A 108 28.238 -0.051 16.735 1.00 0.00 H ATOM 1625 HG13 VAL A 108 28.114 1.537 15.938 1.00 0.00 H ATOM 1626 HG21 VAL A 108 27.247 0.987 18.837 1.00 0.00 H ATOM 1627 HG22 VAL A 108 28.019 2.433 19.531 1.00 0.00 H ATOM 1628 HG23 VAL A 108 27.152 2.545 17.980 1.00 0.00 H ATOM 1629 H VAL A 108 28.526 -0.636 19.653 1.00 0.00 H ATOM 1630 N ALA A 109 31.267 2.364 19.893 1.00 8.31 N ATOM 1631 CA ALA A 109 31.669 3.198 21.017 1.00 8.85 C ATOM 1632 C ALA A 109 30.944 4.526 20.809 1.00 9.52 C ATOM 1633 O ALA A 109 30.871 5.022 19.688 1.00 9.03 O ATOM 1634 CB ALA A 109 33.183 3.415 21.003 1.00 8.98 C ATOM 1635 HA ALA A 109 31.420 2.740 21.974 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.688 2.452 21.076 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.470 3.907 20.074 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.467 4.040 21.849 1.00 0.00 H ATOM 1639 H ALA A 109 31.728 2.505 18.972 1.00 0.00 H ATOM 1640 N CYS A 110 30.401 5.093 21.878 1.00 8.73 N ATOM 1641 CA CYS A 110 29.688 6.358 21.768 1.00 9.58 C ATOM 1642 C CYS A 110 30.238 7.385 22.734 1.00 8.95 C ATOM 1643 O CYS A 110 30.758 7.046 23.793 1.00 8.14 O ATOM 1644 CB CYS A 110 28.205 6.172 22.080 1.00 8.17 C ATOM 1645 SG CYS A 110 27.365 4.915 21.077 1.00 9.66 S ATOM 1646 HA CYS A 110 29.820 6.706 20.744 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.703 7.126 21.919 1.00 0.00 H ATOM 1648 HB3 CYS A 110 28.112 5.887 23.128 1.00 0.00 H ATOM 1649 H CYS A 110 30.485 4.629 22.805 1.00 0.00 H ATOM 1650 N GLU A 111 30.110 8.648 22.356 1.00 11.25 N ATOM 1651 CA GLU A 111 30.532 9.747 23.210 1.00 12.22 C ATOM 1652 C GLU A 111 29.966 11.060 22.706 1.00 11.81 C ATOM 1653 O GLU A 111 29.426 11.129 21.603 1.00 10.38 O ATOM 1654 CB GLU A 111 32.059 9.821 23.330 1.00 19.06 C ATOM 1655 CG GLU A 111 32.853 9.753 22.056 1.00 23.16 C ATOM 1656 CD GLU A 111 34.352 9.770 22.327 1.00 25.02 C ATOM 1657 OE1 GLU A 111 34.829 8.957 23.145 1.00 28.45 O ATOM 1658 OE2 GLU A 111 35.060 10.598 21.727 1.00 24.55 O ATOM 1659 HA GLU A 111 30.138 9.559 24.209 1.00 0.00 H ATOM 1660 HB2 GLU A 111 32.304 10.764 23.819 1.00 0.00 H ATOM 1661 HB3 GLU A 111 32.379 8.992 23.961 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.599 8.833 21.529 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.596 10.610 21.433 1.00 0.00 H ATOM 1664 H GLU A 111 29.697 8.859 21.425 1.00 0.00 H ATOM 1665 N GLY A 112 30.052 12.081 23.552 1.00 10.26 N ATOM 1666 CA GLY A 112 29.578 13.405 23.198 1.00 12.49 C ATOM 1667 C GLY A 112 28.158 13.754 23.596 1.00 12.11 C ATOM 1668 O GLY A 112 27.471 13.006 24.297 1.00 12.55 O ATOM 1669 HA3 GLY A 112 29.650 13.502 22.115 1.00 0.00 H ATOM 1670 HA2 GLY A 112 30.240 14.130 23.671 1.00 0.00 H ATOM 1671 H GLY A 112 30.470 11.927 24.492 1.00 0.00 H ATOM 1672 N ASN A 113 27.735 14.930 23.149 1.00 14.34 N ATOM 1673 CA ASN A 113 26.394 15.434 23.391 1.00 15.27 C ATOM 1674 C ASN A 113 25.998 16.170 22.120 1.00 16.53 C ATOM 1675 O ASN A 113 26.487 17.270 21.854 1.00 17.86 O ATOM 1676 CB ASN A 113 26.374 16.396 24.577 1.00 16.74 C ATOM 1677 CG ASN A 113 25.010 17.015 24.789 1.00 18.69 C ATOM 1678 OD1 ASN A 113 23.989 16.335 24.681 1.00 19.97 O ATOM 1679 ND2 ASN A 113 24.983 18.308 25.099 1.00 19.26 N ATOM 1680 HA ASN A 113 25.707 14.622 23.630 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.655 15.850 25.477 1.00 0.00 H ATOM 1682 HB3 ASN A 113 27.096 17.192 24.396 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.872 18.842 25.179 1.00 0.00 H ATOM 1684 HD21 ASN A 113 24.073 18.785 25.261 1.00 0.00 H ATOM 1685 H ASN A 113 28.394 15.518 22.600 1.00 0.00 H ATOM 1686 N PRO A 114 25.099 15.578 21.320 1.00 16.22 N ATOM 1687 CA PRO A 114 24.434 14.286 21.532 1.00 14.63 C ATOM 1688 C PRO A 114 25.363 13.076 21.628 1.00 13.68 C ATOM 1689 O PRO A 114 26.436 13.046 21.025 1.00 12.53 O ATOM 1690 CB PRO A 114 23.491 14.192 20.337 1.00 16.01 C ATOM 1691 CG PRO A 114 24.262 14.880 19.263 1.00 18.57 C ATOM 1692 CD PRO A 114 24.785 16.106 19.980 1.00 16.61 C ATOM 1693 HA PRO A 114 23.938 14.256 22.502 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.677 16.499 19.491 1.00 0.00 H ATOM 1695 HD2 PRO A 114 24.026 16.887 20.031 1.00 0.00 H ATOM 1696 HG3 PRO A 114 23.618 15.155 18.428 1.00 0.00 H ATOM 1697 HG2 PRO A 114 25.078 14.256 18.900 1.00 0.00 H ATOM 1698 HB2 PRO A 114 23.290 13.153 20.074 1.00 0.00 H ATOM 1699 HB3 PRO A 114 22.550 14.704 20.536 1.00 0.00 H ATOM 1700 N TYR A 115 24.930 12.081 22.390 1.00 12.20 N ATOM 1701 CA TYR A 115 25.692 10.849 22.581 1.00 10.41 C ATOM 1702 C TYR A 115 25.486 10.001 21.328 1.00 11.84 C ATOM 1703 O TYR A 115 24.437 9.375 21.166 1.00 12.59 O ATOM 1704 CB TYR A 115 25.162 10.115 23.811 1.00 10.50 C ATOM 1705 CG TYR A 115 26.117 9.107 24.404 1.00 8.44 C ATOM 1706 CD1 TYR A 115 27.406 9.485 24.783 1.00 8.08 C ATOM 1707 CD2 TYR A 115 25.715 7.793 24.647 1.00 10.39 C ATOM 1708 CE1 TYR A 115 28.270 8.588 25.398 1.00 7.80 C ATOM 1709 CE2 TYR A 115 26.572 6.883 25.262 1.00 8.70 C ATOM 1710 CZ TYR A 115 27.848 7.289 25.639 1.00 10.83 C ATOM 1711 OH TYR A 115 28.694 6.414 26.284 1.00 10.02 O ATOM 1712 HA TYR A 115 26.752 11.053 22.735 1.00 0.00 H ATOM 1713 HB3 TYR A 115 24.249 9.592 23.527 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.932 10.856 24.576 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.716 7.474 24.351 1.00 0.00 H ATOM 1716 HE2 TYR A 115 26.245 5.860 25.447 1.00 0.00 H ATOM 1717 HE1 TYR A 115 29.272 8.903 25.689 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.741 10.504 24.593 1.00 0.00 H ATOM 1719 HH TYR A 115 28.278 6.120 27.133 1.00 0.00 H ATOM 1720 H TYR A 115 24.013 12.181 22.870 1.00 0.00 H ATOM 1721 N VAL A 116 26.486 9.988 20.449 1.00 10.09 N ATOM 1722 CA VAL A 116 26.400 9.256 19.183 1.00 11.27 C ATOM 1723 C VAL A 116 27.598 8.343 18.928 1.00 9.51 C ATOM 1724 O VAL A 116 28.609 8.425 19.623 1.00 11.01 O ATOM 1725 CB VAL A 116 26.282 10.245 17.992 1.00 9.49 C ATOM 1726 CG1 VAL A 116 24.951 11.005 18.065 1.00 9.00 C ATOM 1727 CG2 VAL A 116 27.453 11.228 18.010 1.00 9.30 C ATOM 1728 HA VAL A 116 25.511 8.631 19.264 1.00 0.00 H ATOM 1729 HB VAL A 116 26.311 9.680 17.060 1.00 0.00 H ATOM 1730 HG11 VAL A 116 24.126 10.294 18.023 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.904 11.564 19.000 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.881 11.695 17.224 1.00 0.00 H ATOM 1733 HG21 VAL A 116 27.441 11.789 18.945 1.00 0.00 H ATOM 1734 HG22 VAL A 116 28.390 10.677 17.928 1.00 0.00 H ATOM 1735 HG23 VAL A 116 27.360 11.917 17.170 1.00 0.00 H ATOM 1736 H VAL A 116 27.356 10.514 20.668 1.00 0.00 H ATOM 1737 N PRO A 117 27.498 7.451 17.924 1.00 9.99 N ATOM 1738 CA PRO A 117 28.604 6.539 17.612 1.00 9.69 C ATOM 1739 C PRO A 117 29.827 7.268 17.058 1.00 10.25 C ATOM 1740 O PRO A 117 29.691 8.162 16.220 1.00 10.06 O ATOM 1741 CB PRO A 117 28.001 5.603 16.563 1.00 10.37 C ATOM 1742 CG PRO A 117 26.537 5.631 16.867 1.00 12.18 C ATOM 1743 CD PRO A 117 26.296 7.091 17.152 1.00 10.80 C ATOM 1744 HA PRO A 117 28.973 6.023 18.498 1.00 0.00 H ATOM 1745 HD3 PRO A 117 26.228 7.669 16.231 1.00 0.00 H ATOM 1746 HD2 PRO A 117 25.389 7.237 17.739 1.00 0.00 H ATOM 1747 HG3 PRO A 117 26.302 5.015 17.735 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.950 5.293 16.013 1.00 0.00 H ATOM 1749 HB2 PRO A 117 28.197 5.970 15.555 1.00 0.00 H ATOM 1750 HB3 PRO A 117 28.401 4.594 16.665 1.00 0.00 H ATOM 1751 N VAL A 118 31.014 6.883 17.520 1.00 9.18 N ATOM 1752 CA VAL A 118 32.253 7.491 17.043 1.00 11.10 C ATOM 1753 C VAL A 118 33.294 6.440 16.666 1.00 10.82 C ATOM 1754 O VAL A 118 34.408 6.777 16.269 1.00 13.22 O ATOM 1755 CB VAL A 118 32.881 8.429 18.098 1.00 9.73 C ATOM 1756 CG1 VAL A 118 31.953 9.595 18.369 1.00 11.73 C ATOM 1757 CG2 VAL A 118 33.169 7.661 19.385 1.00 10.05 C ATOM 1758 HA VAL A 118 31.975 8.067 16.160 1.00 0.00 H ATOM 1759 HB VAL A 118 33.824 8.816 17.712 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.790 10.150 17.445 1.00 0.00 H ATOM 1761 HG12 VAL A 118 31.000 9.220 18.742 1.00 0.00 H ATOM 1762 HG13 VAL A 118 32.404 10.251 19.114 1.00 0.00 H ATOM 1763 HG21 VAL A 118 32.238 7.253 19.779 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.863 6.847 19.174 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.611 8.336 20.118 1.00 0.00 H ATOM 1766 H VAL A 118 31.060 6.132 18.238 1.00 0.00 H ATOM 1767 N HIS A 119 32.933 5.167 16.793 1.00 9.57 N ATOM 1768 CA HIS A 119 33.853 4.082 16.471 1.00 9.92 C ATOM 1769 C HIS A 119 33.091 2.770 16.355 1.00 10.07 C ATOM 1770 O HIS A 119 32.154 2.529 17.112 1.00 10.10 O ATOM 1771 CB HIS A 119 34.922 3.980 17.569 1.00 10.69 C ATOM 1772 CG HIS A 119 35.606 2.647 17.647 1.00 11.05 C ATOM 1773 ND1 HIS A 119 36.586 2.253 16.761 1.00 13.19 N ATOM 1774 CD2 HIS A 119 35.463 1.627 18.527 1.00 12.74 C ATOM 1775 CE1 HIS A 119 37.020 1.050 17.094 1.00 13.10 C ATOM 1776 NE2 HIS A 119 36.355 0.647 18.163 1.00 13.92 N ATOM 1777 HA HIS A 119 34.337 4.287 15.516 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.679 4.741 17.380 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.444 4.175 18.529 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.770 1.590 19.367 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.795 0.486 16.575 1.00 0.00 H ATOM 1782 H HIS A 119 31.975 4.940 17.129 1.00 0.00 H ATOM 1783 N PHE A 120 33.474 1.942 15.383 1.00 8.93 N ATOM 1784 CA PHE A 120 32.848 0.637 15.192 1.00 8.18 C ATOM 1785 C PHE A 120 33.791 -0.353 15.856 1.00 8.44 C ATOM 1786 O PHE A 120 34.922 -0.539 15.410 1.00 9.31 O ATOM 1787 CB PHE A 120 32.713 0.294 13.707 1.00 8.99 C ATOM 1788 CG PHE A 120 31.843 -0.906 13.445 1.00 9.25 C ATOM 1789 CD1 PHE A 120 30.482 -0.751 13.209 1.00 10.82 C ATOM 1790 CD2 PHE A 120 32.384 -2.190 13.450 1.00 10.89 C ATOM 1791 CE1 PHE A 120 29.663 -1.862 12.978 1.00 10.38 C ATOM 1792 CE2 PHE A 120 31.577 -3.309 13.217 1.00 9.50 C ATOM 1793 CZ PHE A 120 30.215 -3.143 12.982 1.00 9.06 C ATOM 1794 HA PHE A 120 31.843 0.618 15.613 1.00 0.00 H ATOM 1795 HB2 PHE A 120 32.282 1.152 13.192 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.707 0.094 13.307 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.449 -2.324 13.638 1.00 0.00 H ATOM 1798 HE2 PHE A 120 32.014 -4.308 13.219 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.582 -4.012 12.802 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.597 -1.727 12.795 1.00 0.00 H ATOM 1801 HD1 PHE A 120 30.047 0.248 13.204 1.00 0.00 H ATOM 1802 H PHE A 120 34.240 2.234 14.743 1.00 0.00 H ATOM 1803 N ASP A 121 33.334 -0.995 16.921 1.00 7.83 N ATOM 1804 CA ASP A 121 34.197 -1.918 17.644 1.00 8.71 C ATOM 1805 C ASP A 121 34.184 -3.359 17.156 1.00 9.12 C ATOM 1806 O ASP A 121 35.242 -3.984 17.036 1.00 9.24 O ATOM 1807 CB ASP A 121 33.858 -1.873 19.132 1.00 10.11 C ATOM 1808 CG ASP A 121 35.054 -2.168 20.001 1.00 10.16 C ATOM 1809 OD1 ASP A 121 36.127 -1.573 19.756 1.00 11.07 O ATOM 1810 OD2 ASP A 121 34.925 -2.982 20.933 1.00 9.08 O ATOM 1811 HA ASP A 121 35.211 -1.569 17.450 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.483 -0.879 19.376 1.00 0.00 H ATOM 1813 HB3 ASP A 121 33.084 -2.612 19.338 1.00 0.00 H ATOM 1814 H ASP A 121 32.357 -0.839 17.241 1.00 0.00 H ATOM 1815 N ALA A 122 32.997 -3.889 16.876 1.00 9.23 N ATOM 1816 CA ALA A 122 32.881 -5.270 16.424 1.00 10.35 C ATOM 1817 C ALA A 122 31.458 -5.653 16.053 1.00 10.83 C ATOM 1818 O ALA A 122 30.524 -4.871 16.210 1.00 8.69 O ATOM 1819 CB ALA A 122 33.382 -6.205 17.521 1.00 12.18 C ATOM 1820 HA ALA A 122 33.488 -5.365 15.523 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.426 -5.979 17.741 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.782 -6.063 18.420 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.296 -7.238 17.184 1.00 0.00 H ATOM 1824 H ALA A 122 32.139 -3.310 16.981 1.00 0.00 H ATOM 1825 N SER A 123 31.311 -6.870 15.542 1.00 11.79 N ATOM 1826 CA SER A 123 30.004 -7.408 15.193 1.00 13.30 C ATOM 1827 C SER A 123 29.992 -8.818 15.764 1.00 13.45 C ATOM 1828 O SER A 123 31.005 -9.513 15.718 1.00 14.57 O ATOM 1829 CB SER A 123 29.800 -7.444 13.675 1.00 15.01 C ATOM 1830 OG SER A 123 30.737 -8.291 13.039 1.00 15.67 O ATOM 1831 HA SER A 123 29.199 -6.791 15.592 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.911 -6.434 13.280 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.795 -7.807 13.462 1.00 0.00 H ATOM 1834 HG SER A 123 30.573 -8.288 12.063 1.00 0.00 H ATOM 1835 H SER A 123 32.155 -7.457 15.386 1.00 0.00 H ATOM 1836 N VAL A 124 28.863 -9.234 16.324 1.00 13.47 N ATOM 1837 CA VAL A 124 28.776 -10.564 16.912 1.00 16.16 C ATOM 1838 C VAL A 124 27.481 -11.286 16.560 1.00 16.73 C ATOM 1839 O VAL A 124 26.485 -10.614 16.224 1.00 16.23 O ATOM 1840 CB VAL A 124 28.914 -10.494 18.451 1.00 17.76 C ATOM 1841 CG1 VAL A 124 30.309 -10.004 18.825 1.00 19.07 C ATOM 1842 CG2 VAL A 124 27.860 -9.559 19.024 1.00 18.63 C ATOM 1843 HA VAL A 124 29.602 -11.135 16.487 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.482 -12.530 16.636 1.00 18.46 O ATOM 1845 HB VAL A 124 28.766 -11.490 18.868 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.054 -10.694 18.428 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.469 -9.012 18.403 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.398 -9.958 19.910 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.994 -8.562 18.605 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.868 -9.931 18.768 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.965 -9.516 20.108 1.00 0.00 H ATOM 1852 H VAL A 124 28.034 -8.606 16.343 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 32.205 16.403 7.762 1.00 28.90 O HETATM 1855 O HOH 2 39.888 16.055 9.984 1.00 37.96 O HETATM 1856 O HOH 3 39.013 12.870 10.478 1.00 28.14 O HETATM 1857 O HOH 4 37.897 13.301 6.252 1.00 36.89 O HETATM 1858 O HOH 5 32.672 13.921 6.714 1.00 22.59 O HETATM 1859 O HOH 6 38.087 12.763 13.684 1.00 37.42 O HETATM 1860 O HOH 7 36.338 13.678 19.356 1.00 26.28 O HETATM 1861 O HOH 8 33.098 15.824 19.074 1.00 31.42 O HETATM 1862 O HOH 9 32.624 13.486 20.309 1.00 34.18 O HETATM 1863 O HOH 10 28.343 13.932 8.670 1.00 23.92 O HETATM 1864 O HOH 11 29.905 17.586 11.303 1.00 25.77 O HETATM 1865 O HOH 12 32.824 17.124 10.433 1.00 25.01 O HETATM 1866 O HOH 13 27.072 15.162 13.172 1.00 27.19 O HETATM 1867 O HOH 14 25.957 13.234 15.156 1.00 17.80 O HETATM 1868 O HOH 15 34.841 15.465 16.956 1.00 34.09 O HETATM 1869 O HOH 16 31.813 13.941 17.207 1.00 31.63 O HETATM 1870 O HOH 17 29.967 12.296 7.323 1.00 20.84 O HETATM 1871 O HOH 18 27.743 13.396 11.259 1.00 32.22 O HETATM 1872 O HOH 19 26.949 7.712 5.747 1.00 30.42 O HETATM 1873 O HOH 20 24.862 8.463 7.537 1.00 18.10 O HETATM 1874 O HOH 21 25.767 10.892 13.887 1.00 14.28 O HETATM 1875 O HOH 22 23.971 13.290 11.067 1.00 17.57 O HETATM 1876 O HOH 23 34.434 5.713 12.729 1.00 18.41 O HETATM 1877 O HOH 24 45.313 7.187 -3.635 1.00 39.46 O HETATM 1878 O HOH 25 23.870 6.032 0.625 1.00 45.46 O HETATM 1879 O HOH 26 41.858 -3.717 11.511 1.00 44.69 O HETATM 1880 O HOH 27 22.651 7.013 7.354 1.00 22.52 O HETATM 1881 O HOH 28 17.755 4.821 3.591 1.00 18.20 O HETATM 1882 O HOH 29 18.334 1.389 5.656 1.00 24.00 O HETATM 1883 O HOH 30 24.101 6.104 4.751 1.00 18.64 O HETATM 1884 O HOH 31 15.103 7.382 9.936 1.00 37.05 O HETATM 1885 O HOH 32 12.642 3.759 12.799 1.00 32.21 O HETATM 1886 O HOH 33 15.608 6.702 17.205 1.00 28.00 O HETATM 1887 O HOH 34 17.467 -2.062 15.830 1.00 18.10 O HETATM 1888 O HOH 35 23.327 13.894 15.716 1.00 22.86 O HETATM 1889 O HOH 36 24.364 -8.143 -0.592 1.00 29.31 O HETATM 1890 O HOH 37 27.030 -7.410 0.965 1.00 42.05 O HETATM 1891 O HOH 38 24.482 2.000 29.898 1.00 21.90 O HETATM 1892 O HOH 39 21.531 -2.825 -2.532 1.00 31.13 O HETATM 1893 O HOH 40 29.061 -9.106 26.548 1.00 17.95 O HETATM 1894 O HOH 41 26.612 -7.745 30.641 1.00 20.92 O HETATM 1895 O HOH 42 31.049 -6.226 30.255 1.00 20.05 O HETATM 1896 O HOH 43 28.615 -3.305 -9.241 1.00 20.97 O HETATM 1897 O HOH 44 41.386 -5.988 19.802 1.00 45.90 O HETATM 1898 O HOH 45 32.660 -8.328 -10.064 1.00 21.48 O HETATM 1899 O HOH 46 34.214 -9.230 -3.344 1.00 20.64 O HETATM 1900 O HOH 47 34.777 -5.733 -3.368 1.00 21.60 O HETATM 1901 O HOH 48 34.806 4.261 -6.030 1.00 32.76 O HETATM 1902 O HOH 49 27.892 -1.011 -7.258 1.00 34.54 O HETATM 1903 O HOH 50 37.224 5.718 -9.243 1.00 51.99 O HETATM 1904 O HOH 51 35.427 9.461 -4.465 1.00 43.62 O HETATM 1905 O HOH 52 31.062 3.606 -4.456 1.00 32.18 O HETATM 1906 O HOH 53 25.724 7.568 3.627 1.00 33.41 O HETATM 1907 O HOH 54 26.939 6.147 -0.382 1.00 24.78 O HETATM 1908 O HOH 55 30.151 6.829 -1.193 1.00 24.44 O HETATM 1909 O HOH 56 36.747 12.652 3.587 1.00 43.26 O HETATM 1910 O HOH 57 43.971 4.824 -3.187 1.00 28.27 O HETATM 1911 O HOH 58 41.187 1.929 -3.619 1.00 35.29 O HETATM 1912 O HOH 59 39.906 6.531 -0.994 1.00 25.82 O HETATM 1913 O HOH 60 41.169 12.856 4.295 1.00 39.36 O HETATM 1914 O HOH 61 50.410 6.058 4.825 1.00 30.92 O HETATM 1915 O HOH 62 27.192 14.884 16.966 1.00 17.21 O HETATM 1916 O HOH 63 46.976 -1.632 4.236 1.00 29.41 O HETATM 1917 O HOH 64 42.175 0.629 10.281 1.00 38.40 O HETATM 1918 O HOH 65 40.969 -1.512 9.701 1.00 18.55 O HETATM 1919 O HOH 66 18.008 -5.570 9.600 1.00 26.78 O HETATM 1920 O HOH 67 14.711 4.775 11.234 1.00 33.93 O HETATM 1921 O HOH 68 18.223 7.248 17.411 1.00 17.53 O HETATM 1922 O HOH 69 18.264 0.492 17.097 1.00 11.06 O HETATM 1923 O HOH 70 16.988 0.651 9.864 1.00 16.18 O HETATM 1924 O HOH 71 22.398 13.248 13.157 1.00 21.54 O HETATM 1925 O HOH 72 19.439 11.451 13.093 1.00 31.09 O HETATM 1926 O HOH 73 20.925 6.743 21.645 1.00 19.69 O HETATM 1927 O HOH 74 19.119 9.657 16.957 1.00 28.35 O HETATM 1928 O HOH 75 23.328 4.295 27.140 1.00 15.27 O HETATM 1929 O HOH 76 19.348 3.557 27.637 1.00 11.52 O HETATM 1930 O HOH 77 22.498 1.819 27.879 1.00 18.25 O HETATM 1931 O HOH 78 22.288 -9.604 27.980 1.00 15.21 O HETATM 1932 O HOH 79 25.079 -11.778 26.721 1.00 26.55 O HETATM 1933 O HOH 80 27.282 -9.532 28.555 1.00 29.42 O HETATM 1934 O HOH 81 26.863 -9.117 24.901 1.00 20.77 O HETATM 1935 O HOH 82 29.011 3.007 30.737 1.00 34.58 O HETATM 1936 O HOH 83 29.718 -3.710 30.387 1.00 21.28 O HETATM 1937 O HOH 84 25.779 0.511 31.930 1.00 12.32 O HETATM 1938 O HOH 85 30.407 -0.289 31.951 1.00 31.94 O HETATM 1939 O HOH 86 25.503 -5.076 29.974 1.00 17.87 O HETATM 1940 O HOH 87 31.613 -1.805 30.139 1.00 30.09 O HETATM 1941 O HOH 88 32.579 -6.896 25.634 1.00 9.97 O HETATM 1942 O HOH 89 41.302 -6.398 23.255 1.00 22.46 O HETATM 1943 O HOH 90 39.121 -5.181 15.522 1.00 35.12 O HETATM 1944 O HOH 91 41.314 -0.316 30.288 1.00 37.79 O HETATM 1945 O HOH 92 37.892 1.365 31.736 1.00 23.42 O HETATM 1946 O HOH 93 41.214 1.429 28.380 1.00 25.31 O HETATM 1947 O HOH 94 30.978 4.584 29.624 1.00 24.20 O HETATM 1948 O HOH 95 32.659 4.643 33.283 1.00 26.08 O HETATM 1949 O HOH 96 36.186 6.114 26.297 1.00 17.11 O HETATM 1950 O HOH 97 36.333 3.746 23.586 1.00 9.44 O HETATM 1951 O HOH 98 26.587 3.743 29.487 1.00 16.71 O HETATM 1952 O HOH 99 22.475 -8.404 21.353 1.00 13.52 O HETATM 1953 O HOH 100 25.695 -11.445 22.427 1.00 20.71 O HETATM 1954 O HOH 101 29.357 -9.423 22.952 1.00 17.57 O HETATM 1955 O HOH 102 19.324 -0.539 27.255 1.00 16.88 O HETATM 1956 O HOH 103 20.464 -5.110 28.475 1.00 11.79 O HETATM 1957 O HOH 104 18.937 -3.106 17.994 1.00 22.03 O HETATM 1958 O HOH 105 17.513 -3.829 13.014 1.00 41.54 O HETATM 1959 O HOH 106 31.485 -10.114 10.896 1.00 30.35 O HETATM 1960 O HOH 107 52.119 -0.173 -2.253 1.00 23.07 O HETATM 1961 O HOH 108 50.693 -0.432 -6.681 1.00 33.88 O HETATM 1962 O HOH 109 46.142 -4.444 -5.811 1.00 28.60 O HETATM 1963 O HOH 110 39.285 -0.058 -3.091 1.00 23.13 O HETATM 1964 O HOH 111 37.720 -7.730 -5.039 1.00 32.24 O HETATM 1965 O HOH 112 30.257 -10.380 -2.608 1.00 24.45 O HETATM 1966 O HOH 113 34.579 -9.679 3.672 1.00 24.14 O HETATM 1967 O HOH 114 24.298 -13.364 8.599 1.00 27.91 O HETATM 1968 O HOH 115 18.527 -11.192 6.455 1.00 41.37 O HETATM 1969 O HOH 116 19.605 -8.706 5.384 1.00 29.66 O HETATM 1970 O HOH 117 18.380 -10.581 18.502 1.00 31.27 O HETATM 1971 O HOH 118 31.668 8.036 26.275 1.00 7.45 O HETATM 1972 O HOH 119 30.409 12.698 19.161 1.00 17.24 O HETATM 1973 O HOH 120 36.521 9.918 19.743 1.00 32.02 O HETATM 1974 O HOH 121 34.532 11.960 19.901 1.00 27.63 O HETATM 1975 O HOH 122 36.865 12.301 22.686 1.00 19.14 O HETATM 1976 O HOH 123 35.524 6.087 22.345 1.00 15.08 O HETATM 1977 O HOH 124 25.731 13.457 26.463 1.00 17.58 O HETATM 1978 O HOH 125 29.333 16.334 21.118 1.00 25.22 O HETATM 1979 O HOH 126 28.180 14.524 19.568 1.00 17.71 O HETATM 1980 O HOH 127 21.715 9.168 22.332 1.00 26.60 O HETATM 1981 O HOH 128 22.844 12.863 24.085 1.00 24.36 O HETATM 1982 O HOH 129 27.997 9.056 14.249 1.00 12.98 O HETATM 1983 O HOH 130 35.019 8.306 14.082 1.00 19.27 O HETATM 1984 O HOH 131 36.428 1.858 21.415 1.00 13.12 O HETATM 1985 O HOH 132 37.732 -2.981 16.886 1.00 37.15 O HETATM 1986 O HOH 133 37.862 -0.603 21.670 1.00 9.76 O HETATM 1987 O HOH 134 33.421 -4.970 22.274 1.00 9.71 O HETATM 1988 O HOH 135 33.583 -10.089 17.138 1.00 25.27 O HETATM 1989 O HOH 136 32.250 -6.855 11.519 1.00 24.02 O HETATM 1990 O HOH 137 34.027 -8.085 14.639 1.00 19.16 O HETATM 1991 O HOH 138 24.580 -12.403 15.431 1.00 29.03 O HETATM 1992 O HOH 139 29.377 -14.275 17.628 1.00 34.07 O HETATM 1993 O HOH 140 25.417 -13.418 18.262 1.00 28.58 O HETATM 1994 O HOH 141 37.406 6.015 16.692 1.00 43.12 O HETATM 1995 N1 UM A 3 36.580 -2.238 12.200 1.00 -0.16 N HETATM 1996 C2 UM A 3 35.391 -2.358 11.436 1.00 0.33 C HETATM 1997 N3 UM A 3 34.751 -3.584 11.586 1.00 -0.19 N HETATM 1998 C4 UM A 3 35.159 -4.669 12.396 1.00 0.18 C HETATM 1999 C5 UM A 3 36.373 -4.458 13.137 1.00 0.01 C HETATM 2000 C6 UM A 3 37.028 -3.278 13.018 1.00 0.06 C HETATM 2001 H3 UM A 3 37.946 -3.134 13.586 1.00 0.12 H HETATM 2002 H2 UM A 3 36.762 -5.239 13.788 1.00 0.03 H HETATM 2003 O4 UM A 3 34.487 -5.690 12.421 1.00 -0.41 O HETATM 2004 H1 UM A 3 33.908 -3.712 11.063 1.00 0.23 H HETATM 2005 O2 UM A 3 34.944 -1.477 10.698 1.00 -0.38 O HETATM 2006 C1 UM A 3 37.504 -1.135 12.252 1.00 0.18 C HETATM 2007 C2 UM A 3 37.306 -0.184 13.554 1.00 0.04 C HETATM 2008 C3 UM A 3 38.358 0.985 13.162 1.00 0.12 C HETATM 2009 C4 UM A 3 39.567 0.222 12.602 1.00 0.12 C HETATM 2010 O4 UM A 3 38.861 -0.736 11.813 1.00 -0.34 O HETATM 2011 C5 UM A 3 40.679 0.075 13.626 1.00 0.07 C HETATM 2012 O5 UM A 3 40.143 -1.176 14.256 1.00 -0.39 O HETATM 2013 H11 UM A 3 40.091 -1.862 13.601 1.00 0.21 H HETATM 2014 H9 UM A 3 40.724 0.920 14.329 1.00 0.06 H HETATM 2015 H10 UM A 3 41.666 -0.071 13.164 1.00 0.06 H HETATM 2016 H8 UM A 3 40.052 0.865 11.853 1.00 0.06 H HETATM 2017 O3 UM A 3 38.060 1.950 12.530 1.00 -0.27 O HETATM 2018 P UM A 3 37.477 3.104 13.364 1.00 0.20 P HETATM 2019 O1P UM A 3 37.439 4.568 12.865 1.00 -0.55 O HETATM 2020 O2P UM A 3 35.913 3.108 13.510 1.00 -0.55 O HETATM 2021 O3P UM A 3 37.714 3.781 15.050 1.00 -0.55 O HETATM 2022 H7 UM A 3 38.673 1.411 14.126 1.00 0.07 H HETATM 2023 H5 UM A 3 37.584 -0.696 14.487 1.00 0.03 H HETATM 2024 H6 UM A 3 36.277 0.196 13.637 1.00 0.03 H HETATM 2025 H4 UM A 3 36.969 -0.563 11.480 1.00 0.10 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1995 1996 2000 2006 CONECT 1996 1995 1997 2005 CONECT 1997 1996 1998 2004 CONECT 1998 1997 1999 2003 CONECT 1999 1998 2000 2002 CONECT 2000 1995 1999 2001 CONECT 2001 2000 CONECT 2002 1999 CONECT 2003 1998 CONECT 2004 1997 CONECT 2005 1996 CONECT 2006 1995 2007 2010 2025 CONECT 2007 2006 2008 2023 2024 CONECT 2008 2007 2009 2017 2022 CONECT 2009 2008 2010 2011 2016 CONECT 2010 2006 2009 CONECT 2011 2009 2012 2014 2015 CONECT 2012 2011 2013 CONECT 2013 2012 CONECT 2014 2011 CONECT 2015 2011 CONECT 2016 2009 CONECT 2017 2008 2018 CONECT 2018 2017 2019 2020 2021 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2018 CONECT 2022 2008 CONECT 2023 2007 CONECT 2024 2007 CONECT 2025 2006 MASTER 0 0 0 0 0 0 0 0 2024 1 43 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1w4p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
UM3
EC.Number
E.C.3.1.27.5
Resolution
1.69(Å)
Affinity (Kd/Ki/IC50)
Ki=18uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
FEBS J.v272;pp.744
Ligand Properties
Formula
C
9
H
1
4
N
2
O
8
P
Molecular Weight
309.190
Exact Mass
309.049
No. of atoms
34
No. of bonds
35
Polar Surface Area
167.83
LOGP Value
-3.14 (
Computed with XLOGP3
)
-2.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12,15-17,20H,3-4H2,(H,10,13,14)/t5-,6+,8+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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