Browse entries in the PDBbind-CN Database
HEADER 3DXG_COMPLEX COMPND 3DXG_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 U A 5P 32 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 34.549 21.745 10.342 1.00 28.78 N ATOM 2 CA LYS A 1 35.214 20.408 10.393 1.00 28.29 C ATOM 3 C LYS A 1 34.217 19.267 10.629 1.00 27.47 C ATOM 4 O LYS A 1 33.113 19.477 11.144 1.00 27.43 O ATOM 5 CB LYS A 1 36.332 20.393 11.447 1.00 28.72 C ATOM 6 CG LYS A 1 35.934 20.943 12.816 1.00 29.23 C ATOM 7 CD LYS A 1 37.126 21.034 13.776 1.00 30.05 C ATOM 8 CE LYS A 1 36.723 21.680 15.097 1.00 31.69 C ATOM 9 NZ LYS A 1 35.527 21.020 15.709 1.00 33.20 N ATOM 10 HA LYS A 1 35.661 20.237 9.414 1.00 0.00 H ATOM 11 HB2 LYS A 1 36.660 19.362 11.578 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.161 20.991 11.070 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.513 21.940 12.685 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.181 20.286 13.253 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.503 20.030 13.971 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.911 21.632 13.313 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.491 22.730 14.918 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.559 21.607 15.793 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.721 21.091 15.055 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.740 20.018 15.891 1.00 0.00 H ATOM 21 HZ3 LYS A 1 35.291 21.494 16.604 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.063 21.924 11.244 1.00 0.00 H ATOM 23 HN2 LYS A 1 33.857 21.757 9.566 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.266 22.481 10.181 1.00 0.00 H ATOM 25 N GLU A 2 34.620 18.061 10.237 1.00 26.56 N ATOM 26 CA GLU A 2 33.799 16.864 10.364 1.00 25.52 C ATOM 27 C GLU A 2 33.765 16.417 11.824 1.00 24.55 C ATOM 28 O GLU A 2 34.805 16.211 12.441 1.00 25.20 O ATOM 29 CB GLU A 2 34.369 15.751 9.472 1.00 25.58 C ATOM 30 CG GLU A 2 33.525 14.476 9.391 1.00 25.44 C ATOM 31 CD GLU A 2 34.135 13.404 8.488 1.00 24.99 C ATOM 32 OE1 GLU A 2 35.320 13.061 8.663 1.00 24.16 O ATOM 33 OE2 GLU A 2 33.416 12.894 7.615 1.00 24.56 O ATOM 34 HA GLU A 2 32.781 17.083 10.042 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.474 16.149 8.463 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.351 15.480 9.859 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.421 14.065 10.395 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.540 14.737 9.003 1.00 0.00 H ATOM 39 H GLU A 2 35.568 17.968 9.819 1.00 0.00 H ATOM 40 N THR A 3 32.557 16.289 12.366 1.00 23.41 N ATOM 41 CA THR A 3 32.355 15.778 13.723 1.00 22.43 C ATOM 42 C THR A 3 32.628 14.270 13.757 1.00 21.51 C ATOM 43 O THR A 3 32.560 13.603 12.721 1.00 21.27 O ATOM 44 CB THR A 3 30.904 16.028 14.192 1.00 21.94 C ATOM 45 OG1 THR A 3 30.009 15.237 13.400 1.00 22.09 O ATOM 46 CG2 THR A 3 30.527 17.525 14.065 1.00 23.32 C ATOM 47 HA THR A 3 33.043 16.301 14.387 1.00 0.00 H ATOM 48 HB THR A 3 30.824 15.745 15.242 1.00 0.00 H ATOM 49 HG1 THR A 3 30.233 14.279 13.509 1.00 0.00 H ATOM 50 HG23 THR A 3 31.210 18.123 14.669 1.00 0.00 H ATOM 51 HG21 THR A 3 30.601 17.830 13.021 1.00 0.00 H ATOM 52 HG22 THR A 3 29.506 17.672 14.416 1.00 0.00 H ATOM 53 H THR A 3 31.725 16.562 11.805 1.00 0.00 H ATOM 54 N ALA A 4 32.941 13.754 14.947 1.00 21.21 N ATOM 55 CA ALA A 4 33.095 12.315 15.153 1.00 20.24 C ATOM 56 C ALA A 4 31.841 11.564 14.688 1.00 19.22 C ATOM 57 O ALA A 4 31.935 10.514 14.064 1.00 19.36 O ATOM 58 CB ALA A 4 33.382 12.023 16.620 1.00 20.77 C ATOM 59 HA ALA A 4 33.939 11.967 14.557 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.302 12.527 16.916 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.554 12.385 17.230 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.495 10.948 16.760 1.00 0.00 H ATOM 63 H ALA A 4 33.080 14.396 15.753 1.00 0.00 H ATOM 64 N ALA A 5 30.671 12.132 14.972 1.00 19.04 N ATOM 65 CA ALA A 5 29.410 11.553 14.515 1.00 18.01 C ATOM 66 C ALA A 5 29.319 11.481 12.984 1.00 17.65 C ATOM 67 O ALA A 5 28.914 10.460 12.425 1.00 16.80 O ATOM 68 CB ALA A 5 28.231 12.345 15.087 1.00 18.46 C ATOM 69 HA ALA A 5 29.370 10.528 14.883 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.267 12.312 16.176 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.293 13.380 14.751 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.296 11.904 14.740 1.00 0.00 H ATOM 73 H ALA A 5 30.654 13.008 15.532 1.00 0.00 H ATOM 74 N ALA A 6 29.689 12.577 12.315 1.00 17.92 N ATOM 75 CA ALA A 6 29.654 12.639 10.852 1.00 17.39 C ATOM 76 C ALA A 6 30.682 11.679 10.234 1.00 17.38 C ATOM 77 O ALA A 6 30.417 11.045 9.207 1.00 17.93 O ATOM 78 CB ALA A 6 29.900 14.077 10.368 1.00 18.31 C ATOM 79 HA ALA A 6 28.662 12.327 10.525 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.126 14.731 10.769 1.00 0.00 H ATOM 81 HB2 ALA A 6 30.877 14.413 10.714 1.00 0.00 H ATOM 82 HB3 ALA A 6 29.870 14.102 9.279 1.00 0.00 H ATOM 83 H ALA A 6 30.011 13.410 12.848 1.00 0.00 H ATOM 84 N LYS A 7 31.848 11.578 10.866 1.00 17.84 N ATOM 85 CA LYS A 7 32.865 10.624 10.428 1.00 17.76 C ATOM 86 C LYS A 7 32.358 9.183 10.519 1.00 17.07 C ATOM 87 O LYS A 7 32.614 8.391 9.619 1.00 17.73 O ATOM 88 CB LYS A 7 34.149 10.788 11.233 1.00 19.14 C ATOM 89 CG LYS A 7 35.320 9.988 10.709 1.00 22.93 C ATOM 90 CD LYS A 7 36.570 10.323 11.488 1.00 27.26 C ATOM 91 CE LYS A 7 37.740 9.489 11.028 1.00 28.99 C ATOM 92 NZ LYS A 7 38.979 9.877 11.742 1.00 30.36 N ATOM 93 HA LYS A 7 33.083 10.838 9.382 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.425 11.842 11.225 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.952 10.473 12.258 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.105 8.924 10.812 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.477 10.225 9.657 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.807 11.377 11.345 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.391 10.132 12.546 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.884 9.635 9.957 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.529 8.438 11.225 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.187 10.878 11.554 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.848 9.735 12.764 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.769 9.289 11.408 1.00 0.00 H ATOM 105 H LYS A 7 32.039 12.188 11.686 1.00 0.00 H ATOM 106 N PHE A 8 31.617 8.855 11.588 1.00 15.87 N ATOM 107 CA PHE A 8 31.029 7.527 11.706 1.00 15.18 C ATOM 108 C PHE A 8 30.061 7.288 10.550 1.00 15.07 C ATOM 109 O PHE A 8 30.052 6.217 9.945 1.00 14.26 O ATOM 110 CB PHE A 8 30.333 7.332 13.066 1.00 14.09 C ATOM 111 CG PHE A 8 29.599 6.021 13.175 1.00 13.54 C ATOM 112 CD1 PHE A 8 28.285 5.910 12.737 1.00 14.07 C ATOM 113 CD2 PHE A 8 30.219 4.903 13.737 1.00 12.75 C ATOM 114 CE1 PHE A 8 27.607 4.715 12.796 1.00 13.68 C ATOM 115 CE2 PHE A 8 29.553 3.689 13.800 1.00 11.03 C ATOM 116 CZ PHE A 8 28.231 3.584 13.335 1.00 12.32 C ATOM 117 HA PHE A 8 31.830 6.790 11.653 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.088 7.373 13.851 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.618 8.142 13.209 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.233 4.986 14.129 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.056 2.814 14.211 1.00 0.00 H ATOM 122 HZ PHE A 8 27.699 2.635 13.393 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.585 4.649 12.423 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.780 6.790 12.338 1.00 0.00 H ATOM 125 H PHE A 8 31.461 9.556 12.340 1.00 0.00 H ATOM 126 N GLU A 9 29.238 8.290 10.248 1.00 15.60 N ATOM 127 CA GLU A 9 28.315 8.157 9.130 1.00 16.02 C ATOM 128 C GLU A 9 29.027 7.922 7.787 1.00 15.99 C ATOM 129 O GLU A 9 28.645 7.030 7.032 1.00 15.49 O ATOM 130 CB GLU A 9 27.388 9.363 9.068 1.00 16.95 C ATOM 131 CG GLU A 9 26.492 9.472 10.300 1.00 18.51 C ATOM 132 CD GLU A 9 25.397 10.498 10.150 1.00 21.67 C ATOM 133 OE1 GLU A 9 24.877 10.669 9.020 1.00 24.09 O ATOM 134 OE2 GLU A 9 25.063 11.126 11.168 1.00 23.96 O ATOM 135 HA GLU A 9 27.718 7.263 9.309 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.993 10.267 8.994 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.758 9.275 8.183 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.034 8.500 10.482 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.110 9.747 11.155 1.00 0.00 H ATOM 140 H GLU A 9 29.254 9.165 10.809 1.00 0.00 H ATOM 141 N ARG A 10 30.083 8.696 7.545 1.00 16.72 N ATOM 142 CA ARG A 10 30.881 8.567 6.315 1.00 17.58 C ATOM 143 C ARG A 10 31.519 7.169 6.210 1.00 17.55 C ATOM 144 O ARG A 10 31.454 6.513 5.173 1.00 17.62 O ATOM 145 CB ARG A 10 31.964 9.659 6.258 1.00 18.19 C ATOM 146 CG ARG A 10 32.996 9.452 5.139 1.00 18.02 C ATOM 147 CD ARG A 10 33.946 10.634 4.947 1.00 18.88 C ATOM 148 NE ARG A 10 34.762 10.953 6.108 1.00 19.20 N ATOM 149 CZ ARG A 10 35.936 10.403 6.402 1.00 21.17 C ATOM 150 NH1 ARG A 10 36.446 9.459 5.616 1.00 21.73 N ATOM 151 NH2 ARG A 10 36.599 10.789 7.487 1.00 23.19 N ATOM 152 HA ARG A 10 30.211 8.696 5.465 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.475 10.620 6.101 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.490 9.672 7.213 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.589 8.569 5.378 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.461 9.286 4.204 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.350 11.512 4.699 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.613 10.403 4.116 1.00 0.00 H ATOM 159 HE ARG A 10 34.396 11.672 6.764 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.365 9.030 5.848 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.926 9.150 4.770 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.517 10.358 7.716 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.200 11.522 8.107 1.00 0.00 H ATOM 164 H ARG A 10 30.352 9.414 8.247 1.00 0.00 H ATOM 165 N GLN A 11 32.111 6.721 7.311 1.00 17.00 N ATOM 166 CA GLN A 11 32.868 5.478 7.314 1.00 17.82 C ATOM 167 C GLN A 11 32.011 4.230 7.448 1.00 16.59 C ATOM 168 O GLN A 11 32.430 3.167 7.010 1.00 18.33 O ATOM 169 CB GLN A 11 33.916 5.503 8.424 1.00 18.12 C ATOM 170 CG GLN A 11 34.929 6.642 8.277 1.00 20.05 C ATOM 171 CD GLN A 11 35.985 6.633 9.362 1.00 22.22 C ATOM 172 OE1 GLN A 11 37.133 7.015 9.126 1.00 27.41 O ATOM 173 NE2 GLN A 11 35.609 6.184 10.551 1.00 25.55 N ATOM 174 HA GLN A 11 33.346 5.419 6.336 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.405 5.616 9.380 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.456 4.556 8.412 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.422 6.547 7.310 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.395 7.591 8.319 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.629 5.872 10.703 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.294 6.143 11.332 1.00 0.00 H ATOM 181 H GLN A 11 32.032 7.270 8.190 1.00 0.00 H ATOM 182 N HIS A 12 30.823 4.337 8.052 1.00 15.47 N ATOM 183 CA HIS A 12 30.108 3.123 8.456 1.00 14.88 C ATOM 184 C HIS A 12 28.646 3.044 8.088 1.00 15.40 C ATOM 185 O HIS A 12 28.044 1.989 8.248 1.00 15.92 O ATOM 186 CB HIS A 12 30.265 2.867 9.961 1.00 13.77 C ATOM 187 CG HIS A 12 31.684 2.692 10.381 1.00 13.05 C ATOM 188 ND1 HIS A 12 32.442 1.600 10.014 1.00 13.25 N ATOM 189 CD2 HIS A 12 32.479 3.460 11.163 1.00 13.39 C ATOM 190 CE1 HIS A 12 33.656 1.721 10.527 1.00 13.61 C ATOM 191 NE2 HIS A 12 33.709 2.850 11.213 1.00 13.32 N ATOM 192 HA HIS A 12 30.592 2.344 7.866 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.845 3.714 10.503 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.713 1.963 10.219 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.196 4.388 11.660 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.473 1.010 10.405 1.00 0.00 H ATOM 197 H HIS A 12 30.410 5.274 8.234 1.00 0.00 H ATOM 198 N MET A 13 28.073 4.144 7.600 1.00 16.68 N ATOM 199 CA MET A 13 26.669 4.103 7.228 1.00 17.14 C ATOM 200 C MET A 13 26.449 3.946 5.724 1.00 17.46 C ATOM 201 O MET A 13 27.057 4.661 4.933 1.00 19.07 O ATOM 202 CB MET A 13 25.922 5.344 7.720 1.00 17.49 C ATOM 203 CG MET A 13 25.746 5.392 9.242 1.00 17.62 C ATOM 204 SD MET A 13 24.735 4.050 9.969 1.00 17.65 S ATOM 205 CE MET A 13 23.178 4.248 9.100 1.00 18.94 C ATOM 206 HA MET A 13 26.267 3.216 7.718 1.00 0.00 H ATOM 207 HB2 MET A 13 26.479 6.228 7.409 1.00 0.00 H ATOM 208 HB3 MET A 13 24.935 5.358 7.258 1.00 0.00 H ATOM 209 HG2 MET A 13 25.274 6.341 9.495 1.00 0.00 H ATOM 210 HG3 MET A 13 26.736 5.348 9.695 1.00 0.00 H ATOM 211 HE1 MET A 13 22.777 5.242 9.298 1.00 0.00 H ATOM 212 HE2 MET A 13 23.343 4.128 8.029 1.00 0.00 H ATOM 213 HE3 MET A 13 22.471 3.494 9.447 1.00 0.00 H ATOM 214 H MET A 13 28.623 5.019 7.487 1.00 0.00 H ATOM 215 N ASP A 14 25.608 2.993 5.347 1.00 17.51 N ATOM 216 CA ASP A 14 25.138 2.917 3.962 1.00 17.68 C ATOM 217 C ASP A 14 23.693 2.442 3.907 1.00 16.86 C ATOM 218 O ASP A 14 23.396 1.310 3.563 1.00 17.15 O ATOM 219 CB ASP A 14 26.063 2.060 3.073 1.00 18.55 C ATOM 220 CG ASP A 14 25.552 1.956 1.612 1.00 20.39 C ATOM 221 OD1 ASP A 14 24.651 2.737 1.208 1.00 24.05 O ATOM 222 OD2 ASP A 14 26.015 1.070 0.875 1.00 21.55 O ATOM 223 HA ASP A 14 25.174 3.925 3.550 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.056 2.510 3.065 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.123 1.057 3.495 1.00 0.00 H ATOM 226 H ASP A 14 25.279 2.292 6.042 1.00 0.00 H ATOM 227 N SER A 15 22.783 3.352 4.205 1.00 17.88 N ATOM 228 CA SER A 15 21.368 2.992 4.269 1.00 19.21 C ATOM 229 C SER A 15 20.714 2.651 2.901 1.00 21.12 C ATOM 230 O SER A 15 19.677 1.983 2.849 1.00 22.26 O ATOM 231 CB SER A 15 20.585 4.114 4.966 1.00 18.80 C ATOM 232 OG SER A 15 21.133 4.420 6.237 1.00 18.77 O ATOM 233 HA SER A 15 21.322 2.067 4.843 1.00 0.00 H ATOM 234 HB2 SER A 15 19.550 3.797 5.094 1.00 0.00 H ATOM 235 HB3 SER A 15 20.616 5.008 4.343 1.00 0.00 H ATOM 236 HG SER A 15 21.103 3.614 6.811 1.00 0.00 H ATOM 237 H SER A 15 23.076 4.332 4.395 1.00 0.00 H ATOM 238 N SER A 16 21.330 3.092 1.801 1.00 22.09 N ATOM 239 CA SER A 16 20.738 3.000 0.435 1.00 24.78 C ATOM 240 C SER A 16 20.401 1.607 -0.123 1.00 26.48 C ATOM 241 O SER A 16 19.480 1.466 -0.938 1.00 27.69 O ATOM 242 CB SER A 16 21.625 3.738 -0.553 1.00 25.24 C ATOM 243 OG SER A 16 21.596 5.117 -0.273 1.00 26.93 O ATOM 244 HA SER A 16 19.758 3.461 0.560 1.00 0.00 H ATOM 245 HB2 SER A 16 21.262 3.565 -1.566 1.00 0.00 H ATOM 246 HB3 SER A 16 22.648 3.371 -0.467 1.00 0.00 H ATOM 247 HG SER A 16 21.926 5.273 0.647 1.00 0.00 H ATOM 248 H SER A 16 22.272 3.522 1.902 1.00 0.00 H ATOM 249 N THR A 17 21.154 0.591 0.281 1.00 27.86 N ATOM 250 CA THR A 17 20.868 -0.773 -0.162 1.00 28.93 C ATOM 251 C THR A 17 20.518 -1.682 1.017 1.00 29.43 C ATOM 252 O THR A 17 20.936 -1.428 2.145 1.00 29.27 O ATOM 253 CB THR A 17 22.028 -1.382 -1.000 1.00 29.13 C ATOM 254 OG1 THR A 17 21.615 -2.646 -1.533 1.00 29.72 O ATOM 255 CG2 THR A 17 23.290 -1.563 -0.166 1.00 28.80 C ATOM 256 HA THR A 17 19.998 -0.708 -0.815 1.00 0.00 H ATOM 257 HB THR A 17 22.261 -0.691 -1.810 1.00 0.00 H ATOM 258 HG1 THR A 17 22.353 -3.035 -2.067 1.00 0.00 H ATOM 259 HG23 THR A 17 23.599 -0.598 0.237 1.00 0.00 H ATOM 260 HG21 THR A 17 23.087 -2.252 0.654 1.00 0.00 H ATOM 261 HG22 THR A 17 24.084 -1.968 -0.794 1.00 0.00 H ATOM 262 H THR A 17 21.956 0.767 0.919 1.00 0.00 H ATOM 263 N SER A 18 19.753 -2.736 0.749 1.00 30.10 N ATOM 264 CA SER A 18 19.361 -3.681 1.793 1.00 30.85 C ATOM 265 C SER A 18 20.507 -4.628 2.123 1.00 30.94 C ATOM 266 O SER A 18 20.600 -5.130 3.233 1.00 30.32 O ATOM 267 CB SER A 18 18.126 -4.482 1.366 1.00 31.14 C ATOM 268 OG SER A 18 17.002 -3.636 1.179 1.00 32.76 O ATOM 269 HA SER A 18 19.114 -3.108 2.686 1.00 0.00 H ATOM 270 HB2 SER A 18 17.894 -5.216 2.138 1.00 0.00 H ATOM 271 HB3 SER A 18 18.343 -4.997 0.430 1.00 0.00 H ATOM 272 HG SER A 18 17.205 -2.970 0.475 1.00 0.00 H ATOM 273 H SER A 18 19.426 -2.892 -0.226 1.00 0.00 H ATOM 274 N ALA A 19 21.375 -4.866 1.143 1.00 31.44 N ATOM 275 CA ALA A 19 22.486 -5.802 1.272 1.00 31.84 C ATOM 276 C ALA A 19 23.308 -5.745 0.007 1.00 32.32 C ATOM 277 O ALA A 19 24.542 -5.744 0.071 1.00 32.38 O ATOM 278 CB ALA A 19 21.972 -7.223 1.476 1.00 32.04 C ATOM 279 HA ALA A 19 23.091 -5.527 2.136 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.369 -7.263 2.383 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.363 -7.514 0.620 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.818 -7.904 1.570 1.00 0.00 H ATOM 283 H ALA A 19 21.255 -4.360 0.242 1.00 0.00 H ATOM 284 N ALA A 20 22.588 -5.693 -1.123 1.00 32.72 N ATOM 285 CA ALA A 20 23.108 -5.782 -2.496 1.00 33.20 C ATOM 286 C ALA A 20 24.576 -6.148 -2.575 1.00 33.36 C ATOM 287 O ALA A 20 24.925 -7.263 -2.974 1.00 33.46 O ATOM 288 CB ALA A 20 22.837 -4.490 -3.267 1.00 33.44 C ATOM 289 HA ALA A 20 22.565 -6.604 -2.963 1.00 0.00 H ATOM 290 HB1 ALA A 20 21.762 -4.312 -3.310 1.00 0.00 H ATOM 291 HB2 ALA A 20 23.324 -3.657 -2.760 1.00 0.00 H ATOM 292 HB3 ALA A 20 23.232 -4.583 -4.279 1.00 0.00 H ATOM 293 H ALA A 20 21.560 -5.578 -1.018 1.00 0.00 H ATOM 294 N SER A 21 25.413 -5.193 -2.179 1.00 33.40 N ATOM 295 CA SER A 21 26.858 -5.335 -2.173 1.00 33.09 C ATOM 296 C SER A 21 27.318 -6.341 -3.206 1.00 32.69 C ATOM 297 O SER A 21 27.552 -7.513 -2.894 1.00 33.08 O ATOM 298 CB SER A 21 27.365 -5.690 -0.770 1.00 33.24 C ATOM 299 OG SER A 21 26.940 -4.707 0.156 1.00 33.90 O ATOM 300 HA SER A 21 27.292 -4.374 -2.448 1.00 0.00 H ATOM 301 HB2 SER A 21 28.454 -5.733 -0.778 1.00 0.00 H ATOM 302 HB3 SER A 21 26.967 -6.661 -0.476 1.00 0.00 H ATOM 303 HG SER A 21 25.951 -4.669 0.165 1.00 0.00 H ATOM 304 H SER A 21 25.009 -4.291 -1.855 1.00 0.00 H ATOM 305 N SER A 22 27.409 -5.882 -4.452 1.00 32.13 N ATOM 306 CA SER A 22 28.021 -6.687 -5.502 1.00 30.90 C ATOM 307 C SER A 22 29.403 -7.086 -4.995 1.00 30.11 C ATOM 308 O SER A 22 29.874 -6.517 -4.016 1.00 29.46 O ATOM 309 CB SER A 22 28.102 -5.916 -6.830 1.00 31.31 C ATOM 310 OG SER A 22 29.217 -5.043 -6.895 1.00 30.96 O ATOM 311 HA SER A 22 27.419 -7.571 -5.713 1.00 0.00 H ATOM 312 HB2 SER A 22 27.192 -5.327 -6.947 1.00 0.00 H ATOM 313 HB3 SER A 22 28.175 -6.635 -7.646 1.00 0.00 H ATOM 314 HG SER A 22 29.218 -4.575 -7.768 1.00 0.00 H ATOM 315 H SER A 22 27.039 -4.937 -4.679 1.00 0.00 H ATOM 316 N SER A 23 30.046 -8.060 -5.633 1.00 28.97 N ATOM 317 CA SER A 23 31.402 -8.446 -5.232 1.00 27.92 C ATOM 318 C SER A 23 32.352 -7.251 -5.321 1.00 26.99 C ATOM 319 O SER A 23 33.388 -7.230 -4.657 1.00 27.26 O ATOM 320 CB SER A 23 31.926 -9.596 -6.090 1.00 27.98 C ATOM 321 OG SER A 23 31.725 -9.322 -7.464 1.00 27.18 O ATOM 322 HA SER A 23 31.357 -8.784 -4.197 1.00 0.00 H ATOM 323 HB2 SER A 23 31.397 -10.511 -5.825 1.00 0.00 H ATOM 324 HB3 SER A 23 32.992 -9.727 -5.902 1.00 0.00 H ATOM 325 HG SER A 23 30.757 -9.206 -7.638 1.00 0.00 H ATOM 326 H SER A 23 29.583 -8.552 -6.423 1.00 0.00 H ATOM 327 N ASN A 24 31.971 -6.263 -6.131 1.00 26.34 N ATOM 328 CA ASN A 24 32.707 -5.013 -6.307 1.00 25.73 C ATOM 329 C ASN A 24 32.385 -3.917 -5.281 1.00 24.48 C ATOM 330 O ASN A 24 33.015 -2.870 -5.306 1.00 22.92 O ATOM 331 CB ASN A 24 32.465 -4.447 -7.721 1.00 27.38 C ATOM 332 CG ASN A 24 33.164 -5.245 -8.821 1.00 30.10 C ATOM 333 OD1 ASN A 24 34.270 -5.772 -8.634 1.00 34.02 O ATOM 334 ND2 ASN A 24 32.521 -5.322 -9.983 1.00 33.50 N ATOM 335 HA ASN A 24 33.752 -5.284 -6.153 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.393 -4.453 -7.917 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.833 -3.421 -7.751 1.00 0.00 H ATOM 338 HD22 ASN A 24 31.594 -4.864 -10.096 1.00 0.00 H ATOM 339 HD21 ASN A 24 32.945 -5.840 -10.779 1.00 0.00 H ATOM 340 H ASN A 24 31.093 -6.390 -6.673 1.00 0.00 H ATOM 341 N TYR A 25 31.404 -4.156 -4.406 1.00 23.25 N ATOM 342 CA TYR A 25 30.917 -3.129 -3.462 1.00 22.58 C ATOM 343 C TYR A 25 32.031 -2.479 -2.624 1.00 21.31 C ATOM 344 O TYR A 25 32.157 -1.258 -2.576 1.00 21.81 O ATOM 345 CB TYR A 25 29.837 -3.720 -2.552 1.00 23.03 C ATOM 346 CG TYR A 25 29.338 -2.809 -1.440 1.00 22.75 C ATOM 347 CD1 TYR A 25 28.290 -1.922 -1.654 1.00 23.57 C ATOM 348 CD2 TYR A 25 29.919 -2.846 -0.164 1.00 21.68 C ATOM 349 CE1 TYR A 25 27.830 -1.094 -0.631 1.00 22.88 C ATOM 350 CE2 TYR A 25 29.476 -2.022 0.856 1.00 22.36 C ATOM 351 CZ TYR A 25 28.426 -1.151 0.622 1.00 21.75 C ATOM 352 OH TYR A 25 27.972 -0.323 1.627 1.00 22.64 O ATOM 353 HA TYR A 25 30.494 -2.329 -4.070 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.244 -4.620 -2.091 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.983 -3.987 -3.175 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.738 -3.539 0.029 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.951 -2.059 1.837 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.006 -0.405 -0.814 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.820 -1.873 -2.636 1.00 0.00 H ATOM 360 HH TYR A 25 27.223 0.227 1.286 1.00 0.00 H ATOM 361 H TYR A 25 30.967 -5.100 -4.389 1.00 0.00 H ATOM 362 N CYS A 26 32.863 -3.295 -1.990 1.00 20.63 N ATOM 363 CA CYS A 26 33.888 -2.741 -1.110 1.00 19.76 C ATOM 364 C CYS A 26 34.938 -1.946 -1.877 1.00 20.02 C ATOM 365 O CYS A 26 35.348 -0.868 -1.447 1.00 19.28 O ATOM 366 CB CYS A 26 34.529 -3.840 -0.277 1.00 19.04 C ATOM 367 SG CYS A 26 33.386 -4.407 1.008 1.00 17.84 S ATOM 368 HA CYS A 26 33.395 -2.040 -0.436 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.434 -3.454 0.192 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.786 -4.678 -0.925 1.00 0.00 H ATOM 371 H CYS A 26 32.786 -4.324 -2.119 1.00 0.00 H ATOM 372 N ASN A 27 35.363 -2.459 -3.030 1.00 20.82 N ATOM 373 CA ASN A 27 36.349 -1.730 -3.835 1.00 21.56 C ATOM 374 C ASN A 27 35.914 -0.296 -4.101 1.00 22.22 C ATOM 375 O ASN A 27 36.687 0.640 -3.944 1.00 22.45 O ATOM 376 CB ASN A 27 36.614 -2.457 -5.157 1.00 21.42 C ATOM 377 CG ASN A 27 37.393 -3.744 -4.960 1.00 21.40 C ATOM 378 OD1 ASN A 27 38.076 -3.915 -3.948 1.00 20.63 O ATOM 379 ND2 ASN A 27 37.298 -4.657 -5.926 1.00 24.75 N ATOM 380 HA ASN A 27 37.274 -1.695 -3.259 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.658 -2.693 -5.625 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.185 -1.798 -5.812 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.709 -4.469 -6.763 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.812 -5.557 -5.843 1.00 0.00 H ATOM 385 H ASN A 27 34.996 -3.375 -3.359 1.00 0.00 H ATOM 386 N GLN A 28 34.654 -0.143 -4.484 1.00 22.89 N ATOM 387 CA GLN A 28 34.091 1.156 -4.792 1.00 24.16 C ATOM 388 C GLN A 28 33.852 1.991 -3.538 1.00 24.11 C ATOM 389 O GLN A 28 34.239 3.164 -3.474 1.00 24.09 O ATOM 390 CB GLN A 28 32.781 0.962 -5.528 1.00 25.05 C ATOM 391 CG GLN A 28 32.986 0.580 -6.973 1.00 26.67 C ATOM 392 CD GLN A 28 31.723 0.089 -7.634 1.00 29.99 C ATOM 393 OE1 GLN A 28 30.619 0.321 -7.139 1.00 31.61 O ATOM 394 NE2 GLN A 28 31.874 -0.585 -8.771 1.00 31.22 N ATOM 395 HA GLN A 28 34.806 1.696 -5.413 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.215 0.173 -5.034 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.215 1.893 -5.488 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.347 1.453 -7.516 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.735 -0.211 -7.021 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.827 -0.757 -9.151 1.00 0.00 H ATOM 401 HE21 GLN A 28 31.039 -0.940 -9.280 1.00 0.00 H ATOM 402 H GLN A 28 34.049 -0.985 -4.566 1.00 0.00 H ATOM 403 N MET A 29 33.220 1.371 -2.541 1.00 23.76 N ATOM 404 CA MET A 29 32.769 2.102 -1.348 1.00 23.67 C ATOM 405 C MET A 29 33.925 2.613 -0.497 1.00 22.87 C ATOM 406 O MET A 29 33.881 3.731 0.019 1.00 22.53 O ATOM 407 CB MET A 29 31.772 1.260 -0.536 1.00 24.27 C ATOM 408 CG MET A 29 30.450 1.020 -1.275 1.00 25.51 C ATOM 409 SD MET A 29 29.082 2.160 -0.941 1.00 28.96 S ATOM 410 CE MET A 29 29.965 3.682 -0.800 1.00 23.84 C ATOM 411 HA MET A 29 32.246 2.993 -1.694 1.00 0.00 H ATOM 412 HB2 MET A 29 32.229 0.295 -0.318 1.00 0.00 H ATOM 413 HB3 MET A 29 31.559 1.779 0.399 1.00 0.00 H ATOM 414 HG2 MET A 29 30.109 0.017 -1.017 1.00 0.00 H ATOM 415 HG3 MET A 29 30.660 1.067 -2.343 1.00 0.00 H ATOM 416 HE1 MET A 29 30.686 3.608 0.014 1.00 0.00 H ATOM 417 HE2 MET A 29 30.489 3.884 -1.734 1.00 0.00 H ATOM 418 HE3 MET A 29 29.263 4.490 -0.593 1.00 0.00 H ATOM 419 H MET A 29 33.042 0.349 -2.609 1.00 0.00 H ATOM 420 N MET A 30 34.976 1.805 -0.383 1.00 22.29 N ATOM 421 CA MET A 30 36.157 2.188 0.381 1.00 22.60 C ATOM 422 C MET A 30 36.885 3.398 -0.227 1.00 23.47 C ATOM 423 O MET A 30 37.404 4.246 0.497 1.00 23.46 O ATOM 424 CB MET A 30 37.105 0.995 0.531 1.00 21.43 C ATOM 425 CG MET A 30 36.508 -0.160 1.337 1.00 20.30 C ATOM 426 SD MET A 30 36.287 0.269 3.072 1.00 17.57 S ATOM 427 CE MET A 30 38.001 0.411 3.611 1.00 19.44 C ATOM 428 HA MET A 30 35.817 2.495 1.370 1.00 0.00 H ATOM 429 HB2 MET A 30 37.358 0.628 -0.464 1.00 0.00 H ATOM 430 HB3 MET A 30 38.011 1.335 1.033 1.00 0.00 H ATOM 431 HG2 MET A 30 37.176 -1.019 1.269 1.00 0.00 H ATOM 432 HG3 MET A 30 35.538 -0.421 0.913 1.00 0.00 H ATOM 433 HE1 MET A 30 38.508 -0.542 3.459 1.00 0.00 H ATOM 434 HE2 MET A 30 38.500 1.187 3.030 1.00 0.00 H ATOM 435 HE3 MET A 30 38.027 0.673 4.669 1.00 0.00 H ATOM 436 H MET A 30 34.954 0.876 -0.851 1.00 0.00 H ATOM 437 N LYS A 31 36.940 3.458 -1.559 1.00 24.64 N ATOM 438 CA LYS A 31 37.521 4.609 -2.257 1.00 25.54 C ATOM 439 C LYS A 31 36.729 5.897 -2.009 1.00 25.34 C ATOM 440 O LYS A 31 37.275 6.911 -1.554 1.00 24.89 O ATOM 441 CB LYS A 31 37.586 4.328 -3.763 1.00 26.38 C ATOM 442 CG LYS A 31 38.174 5.479 -4.585 1.00 27.99 C ATOM 443 CD LYS A 31 37.811 5.375 -6.066 1.00 31.94 C ATOM 444 CE LYS A 31 37.931 6.738 -6.747 1.00 31.03 C ATOM 445 NZ LYS A 31 37.763 6.679 -8.230 1.00 33.72 N ATOM 446 HA LYS A 31 38.525 4.756 -1.860 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.203 3.443 -3.921 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.575 4.133 -4.120 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.790 6.422 -4.195 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.259 5.462 -4.487 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.486 4.671 -6.552 1.00 0.00 H ATOM 452 HD3 LYS A 31 36.786 5.017 -6.159 1.00 0.00 H ATOM 453 HE2 LYS A 31 38.916 7.149 -6.527 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.165 7.397 -6.338 1.00 0.00 H ATOM 455 HZ1 LYS A 31 38.495 6.061 -8.636 1.00 0.00 H ATOM 456 HZ2 LYS A 31 36.822 6.299 -8.456 1.00 0.00 H ATOM 457 HZ3 LYS A 31 37.856 7.636 -8.627 1.00 0.00 H ATOM 458 H LYS A 31 36.560 2.667 -2.117 1.00 0.00 H ATOM 459 N SER A 32 35.438 5.832 -2.317 1.00 25.29 N ATOM 460 CA SER A 32 34.583 7.010 -2.308 1.00 25.77 C ATOM 461 C SER A 32 34.349 7.616 -0.923 1.00 25.61 C ATOM 462 O SER A 32 34.217 8.831 -0.792 1.00 26.22 O ATOM 463 CB SER A 32 33.255 6.704 -2.993 1.00 25.85 C ATOM 464 OG SER A 32 32.479 5.779 -2.262 1.00 27.75 O ATOM 465 HA SER A 32 35.125 7.773 -2.867 1.00 0.00 H ATOM 466 HB2 SER A 32 33.456 6.290 -3.981 1.00 0.00 H ATOM 467 HB3 SER A 32 32.691 7.631 -3.097 1.00 0.00 H ATOM 468 HG SER A 32 32.285 6.149 -1.365 1.00 0.00 H ATOM 469 H SER A 32 35.026 4.912 -2.572 1.00 0.00 H ATOM 470 N ARG A 33 34.298 6.773 0.107 1.00 25.52 N ATOM 471 CA ARG A 33 34.142 7.272 1.474 1.00 24.86 C ATOM 472 C ARG A 33 35.475 7.761 2.035 1.00 25.74 C ATOM 473 O ARG A 33 35.608 8.050 3.229 1.00 24.63 O ATOM 474 CB ARG A 33 33.501 6.203 2.372 1.00 23.94 C ATOM 475 CG ARG A 33 32.074 5.833 1.958 1.00 21.25 C ATOM 476 CD ARG A 33 31.115 7.036 1.987 1.00 18.61 C ATOM 477 NE ARG A 33 29.752 6.616 1.691 1.00 19.71 N ATOM 478 CZ ARG A 33 28.888 6.158 2.599 1.00 19.89 C ATOM 479 NH1 ARG A 33 29.255 6.056 3.875 1.00 18.52 N ATOM 480 NH2 ARG A 33 27.665 5.789 2.237 1.00 19.88 N ATOM 481 HA ARG A 33 33.469 8.129 1.452 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.116 5.304 2.332 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.477 6.580 3.394 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.098 5.430 0.945 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.699 5.071 2.642 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.434 7.766 1.243 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.142 7.492 2.977 1.00 0.00 H ATOM 488 HE ARG A 33 29.430 6.677 0.704 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.582 5.699 4.583 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.215 6.333 4.164 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.997 5.433 2.950 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.375 5.856 1.240 1.00 0.00 H ATOM 493 H ARG A 33 34.370 5.749 -0.062 1.00 0.00 H ATOM 494 N ASN A 34 36.463 7.854 1.137 1.00 26.96 N ATOM 495 CA ASN A 34 37.798 8.374 1.435 1.00 28.51 C ATOM 496 C ASN A 34 38.553 7.526 2.447 1.00 28.75 C ATOM 497 O ASN A 34 39.331 8.021 3.265 1.00 29.58 O ATOM 498 CB ASN A 34 37.745 9.860 1.825 1.00 28.84 C ATOM 499 CG ASN A 34 37.369 10.763 0.652 1.00 30.61 C ATOM 500 OD1 ASN A 34 37.388 10.344 -0.509 1.00 31.97 O ATOM 501 ND2 ASN A 34 37.026 12.013 0.954 1.00 31.95 N ATOM 502 HA ASN A 34 38.378 8.305 0.514 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.005 9.988 2.615 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.725 10.159 2.196 1.00 0.00 H ATOM 505 HD22 ASN A 34 37.023 12.326 1.946 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.761 12.677 0.198 1.00 0.00 H ATOM 507 H ASN A 34 36.270 7.537 0.166 1.00 0.00 H ATOM 508 N LEU A 35 38.311 6.222 2.367 1.00 28.98 N ATOM 509 CA LEU A 35 38.967 5.272 3.244 1.00 28.91 C ATOM 510 C LEU A 35 40.179 4.650 2.556 1.00 29.19 C ATOM 511 O LEU A 35 40.861 3.819 3.145 1.00 28.70 O ATOM 512 CB LEU A 35 37.977 4.199 3.721 1.00 28.73 C ATOM 513 CG LEU A 35 36.670 4.765 4.292 1.00 28.61 C ATOM 514 CD1 LEU A 35 35.751 3.653 4.738 1.00 27.01 C ATOM 515 CD2 LEU A 35 36.961 5.707 5.447 1.00 29.59 C ATOM 516 HA LEU A 35 39.325 5.805 4.125 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.732 3.558 2.874 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.462 3.606 4.496 1.00 0.00 H ATOM 519 HG LEU A 35 36.168 5.325 3.503 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.487 5.165 6.233 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.581 6.531 5.095 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.023 6.099 5.840 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.515 3.015 3.886 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.245 3.063 5.510 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.832 4.081 5.139 1.00 0.00 H ATOM 526 H LEU A 35 37.634 5.874 1.658 1.00 0.00 H ATOM 527 N THR A 36 40.445 5.077 1.320 1.00 30.12 N ATOM 528 CA THR A 36 41.616 4.612 0.567 1.00 30.70 C ATOM 529 C THR A 36 42.565 5.745 0.177 1.00 31.47 C ATOM 530 O THR A 36 43.633 5.492 -0.390 1.00 31.50 O ATOM 531 CB THR A 36 41.220 3.828 -0.705 1.00 30.49 C ATOM 532 OG1 THR A 36 40.577 4.695 -1.644 1.00 30.84 O ATOM 533 CG2 THR A 36 40.295 2.669 -0.367 1.00 30.51 C ATOM 534 HA THR A 36 42.140 3.945 1.251 1.00 0.00 H ATOM 535 HB THR A 36 42.132 3.428 -1.148 1.00 0.00 H ATOM 536 HG1 THR A 36 40.330 4.179 -2.452 1.00 0.00 H ATOM 537 HG23 THR A 36 40.787 2.010 0.348 1.00 0.00 H ATOM 538 HG21 THR A 36 39.373 3.056 0.068 1.00 0.00 H ATOM 539 HG22 THR A 36 40.064 2.113 -1.276 1.00 0.00 H ATOM 540 H THR A 36 39.801 5.762 0.875 1.00 0.00 H ATOM 541 N LYS A 37 42.182 6.981 0.499 1.00 32.08 N ATOM 542 CA LYS A 37 42.899 8.173 0.036 1.00 32.78 C ATOM 543 C LYS A 37 44.375 8.199 0.452 1.00 32.83 C ATOM 544 O LYS A 37 45.248 8.429 -0.389 1.00 33.33 O ATOM 545 CB LYS A 37 42.173 9.449 0.492 1.00 33.07 C ATOM 546 CG LYS A 37 42.762 10.748 -0.054 1.00 33.17 C ATOM 547 CD LYS A 37 42.075 11.954 0.561 1.00 33.78 C ATOM 548 CE LYS A 37 42.983 13.177 0.537 1.00 35.26 C ATOM 549 NZ LYS A 37 42.470 14.270 1.415 1.00 36.51 N ATOM 550 HA LYS A 37 42.898 8.131 -1.053 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.135 9.384 0.167 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.210 9.490 1.581 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.826 10.784 0.181 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.629 10.774 -1.136 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.168 12.173 -0.003 1.00 0.00 H ATOM 556 HD3 LYS A 37 41.813 11.726 1.594 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.048 13.548 -0.486 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.976 12.886 0.880 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.525 14.559 1.090 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.411 13.927 2.395 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.117 15.083 1.369 1.00 0.00 H ATOM 562 H LYS A 37 41.343 7.104 1.101 1.00 0.00 H ATOM 563 N ASP A 38 44.649 7.953 1.733 1.00 32.66 N ATOM 564 CA ASP A 38 46.015 8.026 2.264 1.00 32.60 C ATOM 565 C ASP A 38 46.697 6.662 2.421 1.00 32.01 C ATOM 566 O ASP A 38 47.919 6.555 2.291 1.00 32.25 O ATOM 567 CB ASP A 38 46.028 8.774 3.598 1.00 33.09 C ATOM 568 CG ASP A 38 45.815 10.271 3.434 1.00 34.82 C ATOM 569 OD1 ASP A 38 46.662 10.930 2.793 1.00 35.74 O ATOM 570 OD2 ASP A 38 44.809 10.791 3.964 1.00 35.76 O ATOM 571 HA ASP A 38 46.595 8.573 1.520 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.234 8.376 4.229 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.991 8.609 4.081 1.00 0.00 H ATOM 574 H ASP A 38 43.871 7.702 2.376 1.00 0.00 H ATOM 575 N ARG A 39 45.902 5.637 2.720 1.00 31.25 N ATOM 576 CA ARG A 39 46.346 4.241 2.737 1.00 30.41 C ATOM 577 C ARG A 39 45.107 3.403 2.464 1.00 29.59 C ATOM 578 O ARG A 39 44.009 3.952 2.407 1.00 29.74 O ATOM 579 CB ARG A 39 46.966 3.853 4.081 1.00 30.69 C ATOM 580 CG ARG A 39 45.984 3.830 5.246 1.00 31.43 C ATOM 581 CD ARG A 39 46.432 2.862 6.320 1.00 33.17 C ATOM 582 NE ARG A 39 45.507 2.840 7.452 1.00 33.62 N ATOM 583 CZ ARG A 39 45.484 1.904 8.398 1.00 38.08 C ATOM 584 NH1 ARG A 39 44.597 1.983 9.384 1.00 34.68 N ATOM 585 NH2 ARG A 39 46.336 0.885 8.361 1.00 34.95 N ATOM 586 HA ARG A 39 47.122 4.080 1.989 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.400 2.858 3.982 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.753 4.570 4.313 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.916 4.830 5.674 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.004 3.526 4.879 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.418 3.161 6.676 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.490 1.861 5.892 1.00 0.00 H ATOM 593 HE ARG A 39 44.815 3.613 7.523 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.576 1.253 10.125 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.923 2.775 9.415 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.310 0.158 9.105 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.028 0.814 7.588 1.00 0.00 H ATOM 598 H ARG A 39 44.909 5.839 2.955 1.00 0.00 H ATOM 599 N CYS A 40 45.269 2.093 2.275 1.00 28.26 N ATOM 600 CA CYS A 40 44.102 1.209 2.220 1.00 26.90 C ATOM 601 C CYS A 40 43.703 0.833 3.648 1.00 26.33 C ATOM 602 O CYS A 40 44.414 0.077 4.311 1.00 26.34 O ATOM 603 CB CYS A 40 44.381 -0.064 1.411 1.00 26.34 C ATOM 604 SG CYS A 40 45.086 0.128 -0.256 1.00 25.85 S ATOM 605 HA CYS A 40 43.293 1.741 1.720 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.436 -0.596 1.305 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.076 -0.672 1.990 1.00 0.00 H ATOM 608 H CYS A 40 46.225 1.698 2.166 1.00 0.00 H ATOM 609 N LYS A 41 42.577 1.365 4.126 1.00 25.29 N ATOM 610 CA LYS A 41 42.050 0.954 5.430 1.00 24.31 C ATOM 611 C LYS A 41 41.850 -0.568 5.380 1.00 22.87 C ATOM 612 O LYS A 41 41.207 -1.062 4.471 1.00 21.94 O ATOM 613 CB LYS A 41 40.733 1.676 5.728 1.00 24.59 C ATOM 614 CG LYS A 41 40.220 1.512 7.158 1.00 25.14 C ATOM 615 CD LYS A 41 39.105 2.496 7.453 1.00 26.30 C ATOM 616 CE LYS A 41 39.660 3.917 7.585 1.00 28.70 C ATOM 617 NZ LYS A 41 38.755 4.828 8.356 1.00 30.59 N ATOM 618 HA LYS A 41 42.743 1.216 6.230 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.879 2.740 5.540 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.973 1.290 5.049 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.844 0.497 7.288 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.041 1.685 7.853 1.00 0.00 H ATOM 623 HD2 LYS A 41 38.379 2.469 6.641 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.616 2.214 8.385 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.800 4.330 6.586 1.00 0.00 H ATOM 626 HE3 LYS A 41 40.622 3.869 8.095 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.835 4.890 7.874 1.00 0.00 H ATOM 628 HZ2 LYS A 41 38.620 4.450 9.315 1.00 0.00 H ATOM 629 HZ3 LYS A 41 39.183 5.774 8.412 1.00 0.00 H ATOM 630 H LYS A 41 42.068 2.079 3.567 1.00 0.00 H ATOM 631 N PRO A 42 42.461 -1.313 6.313 1.00 22.01 N ATOM 632 CA PRO A 42 42.454 -2.786 6.320 1.00 21.56 C ATOM 633 C PRO A 42 41.071 -3.483 6.471 1.00 20.86 C ATOM 634 O PRO A 42 40.763 -4.414 5.729 1.00 21.25 O ATOM 635 CB PRO A 42 43.381 -3.145 7.491 1.00 22.61 C ATOM 636 CG PRO A 42 44.077 -1.916 7.846 1.00 22.98 C ATOM 637 CD PRO A 42 43.260 -0.763 7.422 1.00 22.34 C ATOM 638 HA PRO A 42 42.774 -3.150 5.344 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.619 -0.417 8.233 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.889 0.059 7.082 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.043 -1.884 7.343 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.229 -1.880 8.925 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.798 -3.508 8.338 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.095 -3.911 7.188 1.00 0.00 H ATOM 645 N VAL A 43 40.274 -3.056 7.443 1.00 19.18 N ATOM 646 CA VAL A 43 38.964 -3.644 7.718 1.00 17.94 C ATOM 647 C VAL A 43 37.973 -2.505 7.952 1.00 16.09 C ATOM 648 O VAL A 43 38.269 -1.551 8.671 1.00 15.95 O ATOM 649 CB VAL A 43 39.007 -4.540 8.992 1.00 19.20 C ATOM 650 CG1 VAL A 43 37.662 -5.220 9.240 1.00 19.90 C ATOM 651 CG2 VAL A 43 40.125 -5.579 8.904 1.00 20.68 C ATOM 652 HA VAL A 43 38.667 -4.263 6.872 1.00 0.00 H ATOM 653 HB VAL A 43 39.217 -3.887 9.839 1.00 0.00 H ATOM 654 HG11 VAL A 43 36.892 -4.461 9.376 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.410 -5.846 8.384 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.728 -5.837 10.136 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.959 -6.217 8.036 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.084 -5.071 8.804 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.126 -6.187 9.809 1.00 0.00 H ATOM 660 H VAL A 43 40.597 -2.266 8.037 1.00 0.00 H ATOM 661 N ASN A 44 36.785 -2.603 7.356 1.00 14.14 N ATOM 662 CA ASN A 44 35.769 -1.586 7.562 1.00 13.77 C ATOM 663 C ASN A 44 34.381 -2.143 7.307 1.00 13.74 C ATOM 664 O ASN A 44 34.179 -2.817 6.302 1.00 15.25 O ATOM 665 CB ASN A 44 36.008 -0.407 6.622 1.00 14.50 C ATOM 666 CG ASN A 44 35.179 0.788 7.006 1.00 15.10 C ATOM 667 OD1 ASN A 44 35.450 1.428 8.028 1.00 16.85 O ATOM 668 ND2 ASN A 44 34.130 1.060 6.244 1.00 15.03 N ATOM 669 HA ASN A 44 35.835 -1.255 8.599 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.062 -0.133 6.660 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.748 -0.706 5.607 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.944 0.492 5.393 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.492 1.842 6.497 1.00 0.00 H ATOM 674 H ASN A 44 36.584 -3.415 6.738 1.00 0.00 H ATOM 675 N THR A 45 33.414 -1.808 8.160 1.00 12.37 N ATOM 676 CA THR A 45 32.061 -2.319 8.049 1.00 12.54 C ATOM 677 C THR A 45 31.091 -1.200 7.711 1.00 12.55 C ATOM 678 O THR A 45 31.146 -0.121 8.294 1.00 12.83 O ATOM 679 CB THR A 45 31.638 -2.996 9.371 1.00 13.15 C ATOM 680 OG1 THR A 45 32.613 -3.982 9.729 1.00 14.00 O ATOM 681 CG2 THR A 45 30.268 -3.663 9.256 1.00 13.93 C ATOM 682 HA THR A 45 32.038 -3.055 7.246 1.00 0.00 H ATOM 683 HB THR A 45 31.573 -2.224 10.137 1.00 0.00 H ATOM 684 HG1 THR A 45 32.672 -4.662 9.011 1.00 0.00 H ATOM 685 HG23 THR A 45 29.523 -2.915 8.984 1.00 0.00 H ATOM 686 HG21 THR A 45 30.305 -4.437 8.489 1.00 0.00 H ATOM 687 HG22 THR A 45 30.002 -4.111 10.213 1.00 0.00 H ATOM 688 H THR A 45 33.638 -1.154 8.937 1.00 0.00 H ATOM 689 N PHE A 46 30.207 -1.486 6.756 1.00 13.02 N ATOM 690 CA PHE A 46 29.080 -0.607 6.444 1.00 13.12 C ATOM 691 C PHE A 46 27.774 -1.228 6.896 1.00 13.41 C ATOM 692 O PHE A 46 27.568 -2.415 6.741 1.00 15.16 O ATOM 693 CB PHE A 46 29.031 -0.356 4.935 1.00 14.06 C ATOM 694 CG PHE A 46 30.220 0.436 4.422 1.00 14.45 C ATOM 695 CD1 PHE A 46 30.273 1.810 4.584 1.00 15.02 C ATOM 696 CD2 PHE A 46 31.292 -0.198 3.783 1.00 15.25 C ATOM 697 CE1 PHE A 46 31.364 2.559 4.114 1.00 16.95 C ATOM 698 CE2 PHE A 46 32.399 0.542 3.312 1.00 15.89 C ATOM 699 CZ PHE A 46 32.420 1.918 3.481 1.00 15.80 C ATOM 700 HA PHE A 46 29.218 0.336 6.972 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.009 -1.318 4.424 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.120 0.197 4.705 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.272 -1.279 3.647 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.230 0.036 2.820 1.00 0.00 H ATOM 705 HZ PHE A 46 33.268 2.498 3.116 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.382 3.641 4.246 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.451 2.321 5.086 1.00 0.00 H ATOM 708 H PHE A 46 30.322 -2.365 6.213 1.00 0.00 H ATOM 709 N VAL A 47 26.920 -0.398 7.480 1.00 14.51 N ATOM 710 CA VAL A 47 25.639 -0.843 8.024 1.00 15.53 C ATOM 711 C VAL A 47 24.481 -0.366 7.132 1.00 15.75 C ATOM 712 O VAL A 47 24.348 0.836 6.858 1.00 16.11 O ATOM 713 CB VAL A 47 25.428 -0.331 9.472 1.00 14.81 C ATOM 714 CG1 VAL A 47 24.157 -0.896 10.057 1.00 14.57 C ATOM 715 CG2 VAL A 47 26.618 -0.722 10.386 1.00 15.18 C ATOM 716 HA VAL A 47 25.653 -1.933 8.045 1.00 0.00 H ATOM 717 HB VAL A 47 25.358 0.756 9.423 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.309 -0.587 9.446 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.218 -1.984 10.073 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.029 -0.523 11.073 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.714 -1.808 10.412 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.536 -0.284 9.993 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.438 -0.348 11.394 1.00 0.00 H ATOM 724 H VAL A 47 27.172 0.608 7.554 1.00 0.00 H ATOM 725 N HIS A 48 23.653 -1.322 6.707 1.00 16.69 N ATOM 726 CA HIS A 48 22.502 -1.062 5.823 1.00 17.94 C ATOM 727 C HIS A 48 21.221 -1.041 6.625 1.00 17.85 C ATOM 728 O HIS A 48 20.390 -1.968 6.537 1.00 19.44 O ATOM 729 CB HIS A 48 22.424 -2.151 4.782 1.00 18.59 C ATOM 730 CG HIS A 48 23.710 -2.355 4.068 1.00 18.41 C ATOM 731 ND1 HIS A 48 24.381 -1.322 3.447 1.00 19.82 N ATOM 732 CD2 HIS A 48 24.488 -3.452 3.941 1.00 19.00 C ATOM 733 CE1 HIS A 48 25.507 -1.789 2.934 1.00 20.31 C ATOM 734 NE2 HIS A 48 25.590 -3.080 3.213 1.00 21.21 N ATOM 735 HA HIS A 48 22.632 -0.093 5.341 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.146 -3.084 5.273 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.659 -1.883 4.053 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.280 -4.444 4.341 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.242 -1.209 2.376 1.00 0.00 H ATOM 740 H HIS A 48 23.828 -2.300 7.015 1.00 0.00 H ATOM 741 N GLU A 49 21.115 -0.015 7.460 1.00 17.39 N ATOM 742 CA GLU A 49 19.919 0.243 8.249 1.00 17.05 C ATOM 743 C GLU A 49 19.756 1.742 8.298 1.00 17.96 C ATOM 744 O GLU A 49 20.686 2.485 7.968 1.00 18.71 O ATOM 745 CB GLU A 49 20.056 -0.328 9.676 1.00 17.29 C ATOM 746 CG GLU A 49 20.344 -1.817 9.699 1.00 17.80 C ATOM 747 CD GLU A 49 19.180 -2.691 9.274 1.00 19.12 C ATOM 748 OE1 GLU A 49 18.030 -2.199 9.170 1.00 22.03 O ATOM 749 OE2 GLU A 49 19.435 -3.883 9.044 1.00 20.42 O ATOM 750 HA GLU A 49 19.051 -0.240 7.800 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.871 0.191 10.180 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.125 -0.147 10.213 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.180 -2.013 9.027 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.624 -2.094 10.715 1.00 0.00 H ATOM 755 H GLU A 49 21.922 0.634 7.555 1.00 0.00 H ATOM 756 N SER A 50 18.581 2.206 8.713 1.00 17.98 N ATOM 757 CA SER A 50 18.363 3.634 8.833 1.00 18.68 C ATOM 758 C SER A 50 19.297 4.249 9.859 1.00 18.70 C ATOM 759 O SER A 50 19.729 3.568 10.797 1.00 18.41 O ATOM 760 CB SER A 50 16.919 3.943 9.202 1.00 18.48 C ATOM 761 OG SER A 50 16.690 3.642 10.570 1.00 19.86 O ATOM 762 HA SER A 50 18.576 4.073 7.859 1.00 0.00 H ATOM 763 HB2 SER A 50 16.252 3.342 8.584 1.00 0.00 H ATOM 764 HB3 SER A 50 16.720 5.000 9.027 1.00 0.00 H ATOM 765 HG SER A 50 15.749 3.847 10.799 1.00 0.00 H ATOM 766 H SER A 50 17.817 1.543 8.952 1.00 0.00 H ATOM 767 N LEU A 51 19.627 5.522 9.685 1.00 19.19 N ATOM 768 CA LEU A 51 20.413 6.251 10.665 1.00 19.83 C ATOM 769 C LEU A 51 19.753 6.206 12.043 1.00 19.11 C ATOM 770 O LEU A 51 20.427 5.969 13.035 1.00 18.70 O ATOM 771 CB LEU A 51 20.676 7.704 10.236 1.00 20.22 C ATOM 772 CG LEU A 51 21.571 8.547 11.158 1.00 20.79 C ATOM 773 CD1 LEU A 51 22.997 7.980 11.320 1.00 20.78 C ATOM 774 CD2 LEU A 51 21.614 9.991 10.711 1.00 21.71 C ATOM 775 HA LEU A 51 21.380 5.752 10.728 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.146 7.678 9.253 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.711 8.206 10.163 1.00 0.00 H ATOM 778 HG LEU A 51 21.109 8.498 12.144 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.011 10.045 9.697 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.606 10.406 10.730 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.255 10.560 11.384 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.942 6.978 11.745 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.482 7.936 10.345 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.571 8.627 11.984 1.00 0.00 H ATOM 785 H LEU A 51 19.314 6.012 8.823 1.00 0.00 H ATOM 786 N ALA A 52 18.442 6.426 12.117 1.00 19.09 N ATOM 787 CA ALA A 52 17.756 6.402 13.409 1.00 18.55 C ATOM 788 C ALA A 52 17.917 5.044 14.078 1.00 18.17 C ATOM 789 O ALA A 52 18.090 4.973 15.305 1.00 18.37 O ATOM 790 CB ALA A 52 16.281 6.760 13.253 1.00 19.54 C ATOM 791 HA ALA A 52 18.216 7.154 14.050 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.194 7.761 12.829 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.802 6.040 12.589 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.797 6.734 14.229 1.00 0.00 H ATOM 795 H ALA A 52 17.901 6.616 11.249 1.00 0.00 H ATOM 796 N ASP A 53 17.880 3.970 13.294 1.00 17.88 N ATOM 797 CA ASP A 53 18.024 2.626 13.868 1.00 17.75 C ATOM 798 C ASP A 53 19.423 2.379 14.425 1.00 16.72 C ATOM 799 O ASP A 53 19.580 1.718 15.453 1.00 16.62 O ATOM 800 CB ASP A 53 17.663 1.507 12.887 1.00 18.80 C ATOM 801 CG ASP A 53 16.174 1.276 12.780 1.00 20.96 C ATOM 802 OD1 ASP A 53 15.402 1.975 13.467 1.00 23.83 O ATOM 803 OD2 ASP A 53 15.790 0.379 12.004 1.00 23.04 O ATOM 804 HA ASP A 53 17.307 2.598 14.688 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.046 1.771 11.901 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.135 0.584 13.223 1.00 0.00 H ATOM 807 H ASP A 53 17.748 4.083 12.269 1.00 0.00 H ATOM 808 N VAL A 54 20.444 2.899 13.760 1.00 16.33 N ATOM 809 CA VAL A 54 21.802 2.711 14.235 1.00 15.54 C ATOM 810 C VAL A 54 22.036 3.649 15.428 1.00 15.38 C ATOM 811 O VAL A 54 22.637 3.251 16.440 1.00 14.62 O ATOM 812 CB VAL A 54 22.807 2.940 13.083 1.00 15.26 C ATOM 813 CG1 VAL A 54 24.226 2.830 13.586 1.00 15.29 C ATOM 814 CG2 VAL A 54 22.584 1.919 12.004 1.00 16.00 C ATOM 815 HA VAL A 54 21.956 1.687 14.576 1.00 0.00 H ATOM 816 HB VAL A 54 22.650 3.942 12.683 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.396 3.581 14.358 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.386 1.836 14.003 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.917 2.995 12.759 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.728 0.920 12.416 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.568 2.013 11.621 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.295 2.086 11.195 1.00 0.00 H ATOM 823 H VAL A 54 20.271 3.445 12.892 1.00 0.00 H ATOM 824 N GLN A 55 21.513 4.873 15.366 1.00 16.11 N ATOM 825 CA GLN A 55 21.614 5.784 16.495 1.00 16.30 C ATOM 826 C GLN A 55 20.952 5.212 17.754 1.00 15.87 C ATOM 827 O GLN A 55 21.474 5.367 18.870 1.00 16.78 O ATOM 828 CB GLN A 55 21.014 7.139 16.134 1.00 16.70 C ATOM 829 CG GLN A 55 21.879 7.905 15.136 1.00 17.88 C ATOM 830 CD GLN A 55 21.246 9.195 14.670 1.00 19.36 C ATOM 831 OE1 GLN A 55 21.945 10.134 14.307 1.00 21.54 O ATOM 832 NE2 GLN A 55 19.921 9.248 14.693 1.00 19.89 N ATOM 833 HA GLN A 55 22.672 5.915 16.722 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.028 6.981 15.696 1.00 0.00 H ATOM 835 HB3 GLN A 55 20.916 7.733 17.043 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.833 8.138 15.610 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.052 7.270 14.267 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.373 8.423 15.010 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.430 10.115 14.394 1.00 0.00 H ATOM 840 H GLN A 55 21.027 5.181 14.500 1.00 0.00 H ATOM 841 N ALA A 56 19.835 4.518 17.564 1.00 15.20 N ATOM 842 CA ALA A 56 19.118 3.876 18.678 1.00 14.71 C ATOM 843 C ALA A 56 19.978 2.870 19.450 1.00 14.29 C ATOM 844 O ALA A 56 19.742 2.638 20.644 1.00 14.65 O ATOM 845 CB ALA A 56 17.862 3.204 18.182 1.00 15.26 C ATOM 846 HA ALA A 56 18.860 4.674 19.375 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.211 3.948 17.723 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.124 2.445 17.445 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.347 2.736 19.021 1.00 0.00 H ATOM 850 H ALA A 56 19.456 4.426 16.600 1.00 0.00 H ATOM 851 N VAL A 57 20.982 2.281 18.797 1.00 13.49 N ATOM 852 CA VAL A 57 21.829 1.268 19.455 1.00 12.44 C ATOM 853 C VAL A 57 22.501 1.861 20.698 1.00 11.89 C ATOM 854 O VAL A 57 22.816 1.129 21.646 1.00 11.51 O ATOM 855 CB VAL A 57 22.848 0.631 18.466 1.00 12.76 C ATOM 856 CG1 VAL A 57 23.762 -0.369 19.154 1.00 11.93 C ATOM 857 CG2 VAL A 57 22.097 -0.052 17.313 1.00 13.89 C ATOM 858 HA VAL A 57 21.190 0.450 19.788 1.00 0.00 H ATOM 859 HB VAL A 57 23.475 1.433 18.076 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.322 0.135 19.942 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.162 -1.169 19.587 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.456 -0.787 18.424 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.448 -0.831 17.714 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.495 0.687 16.785 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.816 -0.496 16.625 1.00 0.00 H ATOM 866 H VAL A 57 21.170 2.541 17.808 1.00 0.00 H ATOM 867 N CYS A 58 22.720 3.180 20.706 1.00 12.16 N ATOM 868 CA CYS A 58 23.353 3.843 21.854 1.00 12.83 C ATOM 869 C CYS A 58 22.527 3.750 23.133 1.00 12.62 C ATOM 870 O CYS A 58 23.025 4.066 24.211 1.00 12.72 O ATOM 871 CB CYS A 58 23.623 5.309 21.574 1.00 13.02 C ATOM 872 SG CYS A 58 24.804 5.571 20.211 1.00 13.74 S ATOM 873 HA CYS A 58 24.290 3.307 22.005 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.028 5.766 22.477 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.681 5.792 21.315 1.00 0.00 H ATOM 876 H CYS A 58 22.436 3.748 19.882 1.00 0.00 H ATOM 877 N SER A 59 21.284 3.286 23.033 1.00 13.44 N ATOM 878 CA SER A 59 20.453 3.087 24.224 1.00 14.35 C ATOM 879 C SER A 59 20.082 1.618 24.395 1.00 14.13 C ATOM 880 O SER A 59 19.167 1.275 25.169 1.00 15.37 O ATOM 881 CB SER A 59 19.210 3.975 24.169 1.00 14.83 C ATOM 882 OG SER A 59 19.565 5.338 24.046 1.00 16.24 O ATOM 883 HA SER A 59 21.034 3.380 25.098 1.00 0.00 H ATOM 884 HB2 SER A 59 18.633 3.838 25.084 1.00 0.00 H ATOM 885 HB3 SER A 59 18.603 3.686 23.311 1.00 0.00 H ATOM 886 HG SER A 59 20.086 5.468 23.214 1.00 0.00 H ATOM 887 H SER A 59 20.896 3.061 22.095 1.00 0.00 H ATOM 888 N GLN A 60 20.817 0.745 23.697 1.00 13.11 N ATOM 889 CA GLN A 60 20.581 -0.696 23.732 1.00 13.22 C ATOM 890 C GLN A 60 21.530 -1.419 24.715 1.00 13.09 C ATOM 891 O GLN A 60 21.725 -0.881 25.797 1.00 13.75 O ATOM 892 CB GLN A 60 20.473 -1.254 22.309 1.00 12.92 C ATOM 893 CG GLN A 60 19.280 -0.606 21.610 1.00 14.45 C ATOM 894 CD GLN A 60 19.034 -1.081 20.184 1.00 15.54 C ATOM 895 OE1 GLN A 60 19.554 -2.106 19.728 1.00 15.61 O ATOM 896 NE2 GLN A 60 18.216 -0.319 19.473 1.00 16.57 N ATOM 897 HA GLN A 60 19.606 -0.910 24.170 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.386 -1.029 21.758 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.331 -2.334 22.349 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.387 -0.820 22.197 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.447 0.471 21.584 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.801 0.535 19.897 1.00 0.00 H ATOM 903 HE21 GLN A 60 17.989 -0.575 18.491 1.00 0.00 H ATOM 904 H GLN A 60 21.590 1.108 23.104 1.00 0.00 H ATOM 905 N LYS A 61 22.085 -2.588 24.381 1.00 12.84 N ATOM 906 CA LYS A 61 22.798 -3.400 25.401 1.00 13.95 C ATOM 907 C LYS A 61 24.216 -2.877 25.624 1.00 12.19 C ATOM 908 O LYS A 61 25.063 -2.977 24.735 1.00 12.20 O ATOM 909 CB LYS A 61 22.839 -4.884 25.011 1.00 14.37 C ATOM 910 CG LYS A 61 23.452 -5.786 26.095 1.00 16.02 C ATOM 911 CD LYS A 61 23.706 -7.230 25.648 1.00 17.25 C ATOM 912 CE LYS A 61 24.288 -8.043 26.811 1.00 21.01 C ATOM 913 NZ LYS A 61 24.282 -9.521 26.597 1.00 25.60 N ATOM 914 HA LYS A 61 22.241 -3.308 26.333 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.820 -5.219 24.819 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.431 -4.986 24.102 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.403 -5.352 26.402 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.772 -5.807 26.946 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.766 -7.680 25.327 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.411 -7.232 24.817 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.703 -7.826 27.705 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.319 -7.725 26.967 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.304 -9.846 26.459 1.00 0.00 H ATOM 924 HZ2 LYS A 61 24.847 -9.750 25.754 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.691 -9.992 27.429 1.00 0.00 H ATOM 926 H LYS A 61 22.017 -2.931 23.402 1.00 0.00 H ATOM 927 N ASN A 62 24.506 -2.360 26.826 1.00 12.18 N ATOM 928 CA ASN A 62 25.835 -1.805 27.133 1.00 12.29 C ATOM 929 C ASN A 62 26.774 -2.997 27.313 1.00 12.05 C ATOM 930 O ASN A 62 26.492 -3.915 28.090 1.00 13.29 O ATOM 931 CB ASN A 62 25.755 -0.910 28.403 1.00 12.52 C ATOM 932 CG ASN A 62 27.044 -0.089 28.718 1.00 13.29 C ATOM 933 OD1 ASN A 62 27.261 0.263 29.887 1.00 16.71 O ATOM 934 ND2 ASN A 62 27.867 0.230 27.736 1.00 12.51 N ATOM 935 HA ASN A 62 26.209 -1.165 26.334 1.00 0.00 H ATOM 936 HB2 ASN A 62 24.932 -0.208 28.270 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.548 -1.554 29.258 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.661 -0.078 26.764 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.721 0.789 27.934 1.00 0.00 H ATOM 940 H ASN A 62 23.772 -2.351 27.563 1.00 0.00 H ATOM 941 N VAL A 63 27.867 -2.996 26.553 1.00 10.20 N ATOM 942 CA VAL A 63 28.901 -4.036 26.579 1.00 10.32 C ATOM 943 C VAL A 63 30.276 -3.360 26.593 1.00 10.47 C ATOM 944 O VAL A 63 30.417 -2.220 26.153 1.00 10.87 O ATOM 945 CB VAL A 63 28.813 -5.006 25.348 1.00 10.61 C ATOM 946 CG1 VAL A 63 27.479 -5.767 25.314 1.00 11.92 C ATOM 947 CG2 VAL A 63 29.034 -4.291 24.025 1.00 11.26 C ATOM 948 HA VAL A 63 28.747 -4.637 27.475 1.00 0.00 H ATOM 949 HB VAL A 63 29.622 -5.725 25.479 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.376 -6.358 26.224 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.657 -5.054 25.248 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.460 -6.427 24.446 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.275 -3.519 23.899 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.023 -3.833 24.022 1.00 0.00 H ATOM 955 HG23 VAL A 63 28.962 -5.010 23.209 1.00 0.00 H ATOM 956 H VAL A 63 27.997 -2.202 25.894 1.00 0.00 H ATOM 957 N ALA A 64 31.289 -4.073 27.071 1.00 10.33 N ATOM 958 CA ALA A 64 32.636 -3.580 27.042 1.00 10.82 C ATOM 959 C ALA A 64 33.128 -3.438 25.606 1.00 10.21 C ATOM 960 O ALA A 64 32.872 -4.303 24.743 1.00 10.45 O ATOM 961 CB ALA A 64 33.555 -4.480 27.865 1.00 11.75 C ATOM 962 HA ALA A 64 32.653 -2.588 27.494 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.209 -4.503 28.898 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.538 -5.489 27.452 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.572 -4.088 27.830 1.00 0.00 H ATOM 966 H ALA A 64 31.101 -5.012 27.476 1.00 0.00 H ATOM 967 N CYS A 65 33.865 -2.356 25.350 1.00 10.91 N ATOM 968 CA CYS A 65 34.529 -2.195 24.067 1.00 10.88 C ATOM 969 C CYS A 65 35.800 -3.014 24.027 1.00 10.63 C ATOM 970 O CYS A 65 36.414 -3.263 25.067 1.00 11.04 O ATOM 971 CB CYS A 65 34.918 -0.719 23.841 1.00 11.29 C ATOM 972 SG CYS A 65 33.579 0.461 23.964 1.00 12.50 S ATOM 973 HA CYS A 65 33.836 -2.527 23.294 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.349 -0.635 22.843 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.670 -0.452 24.584 1.00 0.00 H ATOM 976 H CYS A 65 33.966 -1.619 26.077 1.00 0.00 H ATOM 977 N LYS A 66 36.242 -3.333 22.825 1.00 11.31 N ATOM 978 CA LYS A 66 37.475 -4.099 22.663 1.00 13.11 C ATOM 979 C LYS A 66 38.691 -3.500 23.380 1.00 13.07 C ATOM 980 O LYS A 66 39.548 -4.240 23.873 1.00 14.20 O ATOM 981 CB LYS A 66 37.772 -4.318 21.188 1.00 13.58 C ATOM 982 CG LYS A 66 36.889 -5.374 20.543 1.00 15.29 C ATOM 983 CD LYS A 66 37.030 -5.362 19.025 1.00 20.64 C ATOM 984 CE LYS A 66 36.512 -6.639 18.395 1.00 25.68 C ATOM 985 NZ LYS A 66 36.392 -6.466 16.910 1.00 28.20 N ATOM 986 HA LYS A 66 37.296 -5.058 23.150 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.623 -3.375 20.662 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.812 -4.629 21.087 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.177 -6.356 20.919 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.850 -5.176 20.805 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.466 -4.519 18.626 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.083 -5.246 18.770 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.533 -6.876 18.811 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.204 -7.454 18.609 1.00 0.00 H ATOM 995 HZ1 LYS A 66 35.731 -5.690 16.705 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.326 -6.242 16.512 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.036 -7.347 16.487 1.00 0.00 H ATOM 998 H LYS A 66 35.707 -3.036 21.984 1.00 0.00 H ATOM 999 N ASN A 67 38.777 -2.171 23.425 1.00 13.33 N ATOM 1000 CA ASN A 67 39.928 -1.529 24.058 1.00 14.04 C ATOM 1001 C ASN A 67 39.738 -1.328 25.560 1.00 14.88 C ATOM 1002 O ASN A 67 40.592 -0.706 26.220 1.00 16.45 O ATOM 1003 CB ASN A 67 40.256 -0.192 23.384 1.00 14.89 C ATOM 1004 CG ASN A 67 39.205 0.876 23.663 1.00 14.88 C ATOM 1005 OD1 ASN A 67 38.210 0.652 24.373 1.00 15.02 O ATOM 1006 ND2 ASN A 67 39.440 2.074 23.124 1.00 18.39 N ATOM 1007 HA ASN A 67 40.769 -2.210 23.924 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.219 0.160 23.755 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.318 -0.349 22.307 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.284 2.223 22.535 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.779 2.859 23.293 1.00 0.00 H ATOM 1012 H ASN A 67 38.023 -1.588 23.008 1.00 0.00 H ATOM 1013 N GLY A 68 38.625 -1.814 26.108 1.00 14.29 N ATOM 1014 CA GLY A 68 38.409 -1.738 27.536 1.00 14.60 C ATOM 1015 C GLY A 68 37.556 -0.582 28.005 1.00 14.74 C ATOM 1016 O GLY A 68 37.150 -0.542 29.162 1.00 14.97 O ATOM 1017 HA3 GLY A 68 39.383 -1.655 28.019 1.00 0.00 H ATOM 1018 HA2 GLY A 68 37.926 -2.662 27.852 1.00 0.00 H ATOM 1019 H GLY A 68 37.903 -2.253 25.502 1.00 0.00 H ATOM 1020 N GLN A 69 37.271 0.339 27.087 1.00 14.34 N ATOM 1021 CA GLN A 69 36.307 1.406 27.372 1.00 14.38 C ATOM 1022 C GLN A 69 34.918 0.798 27.637 1.00 13.04 C ATOM 1023 O GLN A 69 34.637 -0.360 27.234 1.00 13.69 O ATOM 1024 CB GLN A 69 36.252 2.439 26.227 1.00 14.11 C ATOM 1025 CG GLN A 69 37.568 3.275 26.056 1.00 16.51 C ATOM 1026 CD GLN A 69 37.482 4.376 24.960 1.00 17.20 C ATOM 1027 OE1 GLN A 69 36.644 5.268 25.039 1.00 23.46 O ATOM 1028 NE2 GLN A 69 38.384 4.326 23.970 1.00 18.33 N ATOM 1029 HA GLN A 69 36.635 1.936 28.266 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.060 1.908 25.295 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.432 3.128 26.426 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.795 3.756 27.008 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.376 2.592 25.793 1.00 0.00 H ATOM 1034 HE22 GLN A 69 39.079 3.553 23.938 1.00 0.00 H ATOM 1035 HE21 GLN A 69 38.389 5.060 23.234 1.00 0.00 H ATOM 1036 H GLN A 69 37.737 0.301 26.158 1.00 0.00 H ATOM 1037 N THR A 70 34.052 1.546 28.320 1.00 12.82 N ATOM 1038 CA THR A 70 32.777 1.024 28.784 1.00 13.64 C ATOM 1039 C THR A 70 31.576 1.503 27.967 1.00 12.77 C ATOM 1040 O THR A 70 30.430 1.188 28.297 1.00 13.68 O ATOM 1041 CB THR A 70 32.527 1.388 30.260 1.00 14.60 C ATOM 1042 OG1 THR A 70 32.504 2.813 30.390 1.00 17.03 O ATOM 1043 CG2 THR A 70 33.636 0.806 31.133 1.00 16.31 C ATOM 1044 HA THR A 70 32.861 -0.056 28.660 1.00 0.00 H ATOM 1045 HB THR A 70 31.572 0.974 30.583 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.779 3.183 29.827 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.647 -0.279 31.029 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.597 1.213 30.817 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.453 1.070 32.175 1.00 0.00 H ATOM 1050 H THR A 70 34.296 2.535 28.528 1.00 0.00 H ATOM 1051 N ASN A 71 31.853 2.311 26.952 1.00 11.35 N ATOM 1052 CA ASN A 71 30.793 2.974 26.201 1.00 10.59 C ATOM 1053 C ASN A 71 30.403 2.300 24.897 1.00 9.73 C ATOM 1054 O ASN A 71 30.104 2.986 23.935 1.00 10.67 O ATOM 1055 CB ASN A 71 31.183 4.439 25.914 1.00 11.81 C ATOM 1056 CG ASN A 71 32.383 4.562 24.996 1.00 11.69 C ATOM 1057 OD1 ASN A 71 33.372 3.831 25.134 1.00 14.29 O ATOM 1058 ND2 ASN A 71 32.327 5.520 24.068 1.00 12.08 N ATOM 1059 HA ASN A 71 29.915 2.912 26.844 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.335 4.940 25.447 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.417 4.928 26.859 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.477 6.114 23.984 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.133 5.673 23.429 1.00 0.00 H ATOM 1064 H ASN A 71 32.845 2.475 26.687 1.00 0.00 H ATOM 1065 N CYS A 72 30.415 0.960 24.865 1.00 9.46 N ATOM 1066 CA CYS A 72 29.932 0.235 23.694 1.00 8.67 C ATOM 1067 C CYS A 72 28.552 -0.340 23.910 1.00 8.53 C ATOM 1068 O CYS A 72 28.124 -0.575 25.044 1.00 9.61 O ATOM 1069 CB CYS A 72 30.940 -0.847 23.262 1.00 10.00 C ATOM 1070 SG CYS A 72 32.377 -0.121 22.414 1.00 11.38 S ATOM 1071 HA CYS A 72 29.844 0.954 22.879 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.444 -1.543 22.586 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.284 -1.384 24.146 1.00 0.00 H ATOM 1074 H CYS A 72 30.773 0.430 25.685 1.00 0.00 H ATOM 1075 N TYR A 73 27.852 -0.492 22.792 1.00 8.76 N ATOM 1076 CA TYR A 73 26.447 -0.893 22.805 1.00 9.42 C ATOM 1077 C TYR A 73 26.206 -1.864 21.683 1.00 9.97 C ATOM 1078 O TYR A 73 26.604 -1.626 20.544 1.00 11.37 O ATOM 1079 CB TYR A 73 25.523 0.326 22.656 1.00 10.62 C ATOM 1080 CG TYR A 73 25.708 1.268 23.815 1.00 10.76 C ATOM 1081 CD1 TYR A 73 26.704 2.225 23.770 1.00 10.51 C ATOM 1082 CD2 TYR A 73 24.919 1.181 24.963 1.00 12.95 C ATOM 1083 CE1 TYR A 73 26.968 3.057 24.837 1.00 12.66 C ATOM 1084 CE2 TYR A 73 25.164 2.009 26.045 1.00 12.62 C ATOM 1085 CZ TYR A 73 26.188 2.961 25.961 1.00 12.51 C ATOM 1086 OH TYR A 73 26.480 3.812 27.011 1.00 14.80 O ATOM 1087 HA TYR A 73 26.223 -1.366 23.761 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.486 -0.010 22.627 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.761 0.846 21.728 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.105 0.457 25.008 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.567 1.921 26.952 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.783 3.779 24.788 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.299 2.325 22.863 1.00 0.00 H ATOM 1094 HH TYR A 73 25.683 4.360 27.222 1.00 0.00 H ATOM 1095 H TYR A 73 28.318 -0.320 21.878 1.00 0.00 H ATOM 1096 N GLN A 74 25.560 -2.973 22.029 1.00 10.37 N ATOM 1097 CA GLN A 74 25.232 -4.019 21.077 1.00 11.52 C ATOM 1098 C GLN A 74 23.762 -3.939 20.709 1.00 11.38 C ATOM 1099 O GLN A 74 22.890 -3.813 21.572 1.00 12.55 O ATOM 1100 CB GLN A 74 25.558 -5.378 21.685 1.00 10.55 C ATOM 1101 CG GLN A 74 25.288 -6.555 20.747 1.00 12.58 C ATOM 1102 CD GLN A 74 25.757 -7.832 21.363 1.00 16.45 C ATOM 1103 OE1 GLN A 74 26.905 -7.928 21.797 1.00 19.95 O ATOM 1104 NE2 GLN A 74 24.882 -8.815 21.428 1.00 20.65 N ATOM 1105 HA GLN A 74 25.822 -3.887 20.170 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.614 -5.389 21.956 1.00 0.00 H ATOM 1107 HB3 GLN A 74 24.953 -5.507 22.582 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.217 -6.622 20.553 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.817 -6.394 19.807 1.00 0.00 H ATOM 1110 HE22 GLN A 74 23.923 -8.684 21.047 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.150 -9.722 21.861 1.00 0.00 H ATOM 1112 H GLN A 74 25.278 -3.096 23.022 1.00 0.00 H ATOM 1113 N SER A 75 23.495 -3.986 19.405 1.00 12.05 N ATOM 1114 CA SER A 75 22.126 -3.949 18.909 1.00 13.42 C ATOM 1115 C SER A 75 21.346 -5.171 19.371 1.00 13.35 C ATOM 1116 O SER A 75 21.843 -6.288 19.308 1.00 12.71 O ATOM 1117 CB SER A 75 22.147 -3.850 17.369 1.00 13.66 C ATOM 1118 OG SER A 75 22.654 -5.009 16.722 1.00 13.68 O ATOM 1119 HA SER A 75 21.621 -3.073 19.315 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.770 -3.000 17.088 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.127 -3.682 17.022 1.00 0.00 H ATOM 1122 HG SER A 75 22.092 -5.789 16.957 1.00 0.00 H ATOM 1123 H SER A 75 24.281 -4.050 18.727 1.00 0.00 H ATOM 1124 N TYR A 76 20.107 -4.950 19.822 1.00 13.35 N ATOM 1125 CA TYR A 76 19.227 -6.069 20.229 1.00 14.73 C ATOM 1126 C TYR A 76 18.842 -6.954 19.050 1.00 16.75 C ATOM 1127 O TYR A 76 18.691 -8.168 19.200 1.00 17.73 O ATOM 1128 CB TYR A 76 17.953 -5.577 20.947 1.00 14.95 C ATOM 1129 CG TYR A 76 18.238 -4.994 22.313 1.00 13.71 C ATOM 1130 CD1 TYR A 76 18.886 -5.753 23.272 1.00 13.74 C ATOM 1131 CD2 TYR A 76 17.850 -3.689 22.646 1.00 14.64 C ATOM 1132 CE1 TYR A 76 19.169 -5.240 24.540 1.00 13.47 C ATOM 1133 CE2 TYR A 76 18.120 -3.167 23.917 1.00 13.43 C ATOM 1134 CZ TYR A 76 18.789 -3.944 24.850 1.00 13.54 C ATOM 1135 OH TYR A 76 19.064 -3.434 26.099 1.00 14.98 O ATOM 1136 HA TYR A 76 19.810 -6.664 20.932 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.271 -6.419 21.063 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.481 -4.811 20.333 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.333 -3.075 21.909 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.806 -2.155 24.171 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.684 -5.854 25.279 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.182 -6.774 23.032 1.00 0.00 H ATOM 1143 HH TYR A 76 19.542 -4.116 26.635 1.00 0.00 H ATOM 1144 H TYR A 76 19.755 -3.974 19.888 1.00 0.00 H ATOM 1145 N SER A 77 18.686 -6.325 17.894 1.00 18.30 N ATOM 1146 CA SER A 77 18.339 -7.023 16.649 1.00 18.93 C ATOM 1147 C SER A 77 19.564 -7.207 15.752 1.00 19.24 C ATOM 1148 O SER A 77 20.531 -6.454 15.856 1.00 18.32 O ATOM 1149 CB SER A 77 17.249 -6.243 15.906 1.00 20.16 C ATOM 1150 OG SER A 77 16.022 -6.287 16.621 1.00 22.67 O ATOM 1151 HA SER A 77 17.965 -8.014 16.906 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.104 -6.683 14.919 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.563 -5.205 15.797 1.00 0.00 H ATOM 1154 HG SER A 77 15.333 -5.778 16.124 1.00 0.00 H ATOM 1155 H SER A 77 18.815 -5.293 17.867 1.00 0.00 H ATOM 1156 N THR A 78 19.546 -8.206 14.877 1.00 19.37 N ATOM 1157 CA THR A 78 20.585 -8.279 13.847 1.00 19.85 C ATOM 1158 C THR A 78 20.340 -7.159 12.854 1.00 18.93 C ATOM 1159 O THR A 78 19.231 -6.641 12.740 1.00 19.20 O ATOM 1160 CB THR A 78 20.631 -9.619 13.084 1.00 20.39 C ATOM 1161 OG1 THR A 78 19.388 -9.833 12.401 1.00 22.26 O ATOM 1162 CG2 THR A 78 20.910 -10.774 14.028 1.00 21.56 C ATOM 1163 HA THR A 78 21.544 -8.187 14.356 1.00 0.00 H ATOM 1164 HB THR A 78 21.441 -9.572 12.356 1.00 0.00 H ATOM 1165 HG1 THR A 78 18.650 -9.857 13.061 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.856 -10.602 14.541 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.106 -10.846 14.760 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.968 -11.701 13.458 1.00 0.00 H ATOM 1169 H THR A 78 18.801 -8.930 14.923 1.00 0.00 H ATOM 1170 N MET A 79 21.413 -6.754 12.189 1.00 18.30 N ATOM 1171 CA MET A 79 21.369 -5.714 11.175 1.00 18.26 C ATOM 1172 C MET A 79 22.094 -6.186 9.936 1.00 18.35 C ATOM 1173 O MET A 79 23.007 -7.017 10.017 1.00 18.16 O ATOM 1174 CB MET A 79 22.022 -4.434 11.705 1.00 18.00 C ATOM 1175 CG MET A 79 21.193 -3.768 12.778 1.00 18.71 C ATOM 1176 SD MET A 79 21.914 -2.209 13.277 1.00 18.44 S ATOM 1177 CE MET A 79 20.580 -1.540 14.262 1.00 18.59 C ATOM 1178 HA MET A 79 20.329 -5.501 10.926 1.00 0.00 H ATOM 1179 HB2 MET A 79 22.998 -4.685 12.121 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.149 -3.737 10.877 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.136 -4.427 13.644 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.189 -3.589 12.393 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.689 -1.436 13.642 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.370 -2.214 15.092 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.871 -0.564 14.650 1.00 0.00 H ATOM 1186 H MET A 79 22.328 -7.201 12.403 1.00 0.00 H ATOM 1187 N SER A 80 21.635 -5.684 8.789 1.00 18.72 N ATOM 1188 CA SER A 80 22.305 -5.913 7.524 1.00 18.23 C ATOM 1189 C SER A 80 23.620 -5.135 7.487 1.00 17.31 C ATOM 1190 O SER A 80 23.610 -3.918 7.611 1.00 17.63 O ATOM 1191 CB SER A 80 21.393 -5.474 6.376 1.00 18.72 C ATOM 1192 OG SER A 80 22.065 -5.611 5.140 1.00 21.22 O ATOM 1193 HA SER A 80 22.525 -6.975 7.415 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.110 -4.431 6.519 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.497 -6.095 6.370 1.00 0.00 H ATOM 1196 HG SER A 80 21.465 -5.324 4.406 1.00 0.00 H ATOM 1197 H SER A 80 20.768 -5.110 8.802 1.00 0.00 H ATOM 1198 N ILE A 81 24.727 -5.855 7.320 1.00 17.25 N ATOM 1199 CA ILE A 81 26.051 -5.224 7.260 1.00 16.86 C ATOM 1200 C ILE A 81 26.861 -5.783 6.101 1.00 17.31 C ATOM 1201 O ILE A 81 26.604 -6.903 5.634 1.00 18.39 O ATOM 1202 CB ILE A 81 26.858 -5.396 8.600 1.00 16.23 C ATOM 1203 CG1 ILE A 81 27.212 -6.867 8.854 1.00 15.54 C ATOM 1204 CG2 ILE A 81 26.084 -4.803 9.772 1.00 18.03 C ATOM 1205 CD1 ILE A 81 28.162 -7.092 10.039 1.00 17.44 C ATOM 1206 HA ILE A 81 25.882 -4.158 7.107 1.00 0.00 H ATOM 1207 HB ILE A 81 27.796 -4.849 8.502 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.288 -7.412 9.048 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.685 -7.265 7.956 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.098 -6.564 9.858 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.700 -6.712 10.950 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.359 -8.158 10.147 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.915 -3.741 9.594 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.126 -5.313 9.868 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.660 -4.932 10.689 1.00 0.00 H ATOM 1216 H ILE A 81 24.652 -6.888 7.230 1.00 0.00 H ATOM 1217 N THR A 82 27.843 -5.006 5.659 1.00 16.88 N ATOM 1218 CA THR A 82 28.847 -5.523 4.752 1.00 16.97 C ATOM 1219 C THR A 82 30.220 -5.264 5.331 1.00 15.96 C ATOM 1220 O THR A 82 30.565 -4.102 5.630 1.00 15.68 O ATOM 1221 CB THR A 82 28.775 -4.864 3.381 1.00 17.65 C ATOM 1222 OG1 THR A 82 27.441 -4.950 2.873 1.00 18.61 O ATOM 1223 CG2 THR A 82 29.714 -5.555 2.408 1.00 18.38 C ATOM 1224 HA THR A 82 28.661 -6.590 4.631 1.00 0.00 H ATOM 1225 HB THR A 82 29.069 -3.820 3.486 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.823 -4.487 3.493 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.735 -5.495 2.786 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.424 -6.601 2.305 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.655 -5.063 1.437 1.00 0.00 H ATOM 1230 H THR A 82 27.892 -4.014 5.968 1.00 0.00 H ATOM 1231 N ASP A 83 30.990 -6.336 5.483 1.00 15.95 N ATOM 1232 CA ASP A 83 32.393 -6.231 5.879 1.00 16.87 C ATOM 1233 C ASP A 83 33.279 -6.126 4.656 1.00 16.91 C ATOM 1234 O ASP A 83 33.091 -6.880 3.687 1.00 17.27 O ATOM 1235 CB ASP A 83 32.832 -7.448 6.693 1.00 17.61 C ATOM 1236 CG ASP A 83 32.251 -7.462 8.084 1.00 20.52 C ATOM 1237 OD1 ASP A 83 32.182 -6.390 8.700 1.00 21.75 O ATOM 1238 OD2 ASP A 83 31.884 -8.556 8.555 1.00 25.66 O ATOM 1239 HA ASP A 83 32.491 -5.335 6.492 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.511 -8.350 6.172 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.919 -7.442 6.770 1.00 0.00 H ATOM 1242 H ASP A 83 30.582 -7.278 5.315 1.00 0.00 H ATOM 1243 N CYS A 84 34.236 -5.203 4.716 1.00 16.65 N ATOM 1244 CA CYS A 84 35.257 -5.016 3.690 1.00 17.52 C ATOM 1245 C CYS A 84 36.597 -5.326 4.297 1.00 18.07 C ATOM 1246 O CYS A 84 36.966 -4.743 5.315 1.00 17.87 O ATOM 1247 CB CYS A 84 35.259 -3.564 3.226 1.00 17.07 C ATOM 1248 SG CYS A 84 33.668 -3.053 2.511 1.00 17.40 S ATOM 1249 HA CYS A 84 35.053 -5.670 2.842 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.036 -3.440 2.472 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.479 -2.925 4.081 1.00 0.00 H ATOM 1252 H CYS A 84 34.258 -4.576 5.546 1.00 0.00 H ATOM 1253 N ARG A 85 37.307 -6.277 3.708 1.00 19.36 N ATOM 1254 CA ARG A 85 38.629 -6.648 4.198 1.00 20.76 C ATOM 1255 C ARG A 85 39.626 -6.625 3.052 1.00 21.08 C ATOM 1256 O ARG A 85 39.388 -7.249 2.007 1.00 21.06 O ATOM 1257 CB ARG A 85 38.616 -8.027 4.854 1.00 21.70 C ATOM 1258 CG ARG A 85 39.945 -8.428 5.474 1.00 25.01 C ATOM 1259 CD ARG A 85 39.838 -9.771 6.171 1.00 30.33 C ATOM 1260 NE ARG A 85 38.837 -9.760 7.242 1.00 30.46 N ATOM 1261 CZ ARG A 85 39.110 -9.649 8.540 1.00 38.34 C ATOM 1262 NH1 ARG A 85 38.118 -9.652 9.421 1.00 32.33 N ATOM 1263 NH2 ARG A 85 40.365 -9.535 8.964 1.00 33.27 N ATOM 1264 HA ARG A 85 38.926 -5.922 4.955 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.858 -8.027 5.637 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.354 -8.765 4.096 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.699 -8.492 4.690 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.242 -7.672 6.201 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.808 -10.023 6.599 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.559 -10.527 5.437 1.00 0.00 H ATOM 1271 HE ARG A 85 37.838 -9.845 6.967 1.00 0.00 H ATOM 1272 HH12 ARG A 85 38.324 -9.566 10.437 1.00 0.00 H ATOM 1273 HH11 ARG A 85 37.134 -9.741 9.096 1.00 0.00 H ATOM 1274 HH22 ARG A 85 40.564 -9.449 9.981 1.00 0.00 H ATOM 1275 HH21 ARG A 85 41.147 -9.532 8.279 1.00 0.00 H ATOM 1276 H ARG A 85 36.914 -6.768 2.880 1.00 0.00 H ATOM 1277 N GLU A 86 40.728 -5.907 3.244 1.00 22.19 N ATOM 1278 CA GLU A 86 41.719 -5.754 2.183 1.00 23.57 C ATOM 1279 C GLU A 86 42.299 -7.115 1.804 1.00 23.93 C ATOM 1280 O GLU A 86 42.642 -7.912 2.678 1.00 23.73 O ATOM 1281 CB GLU A 86 42.823 -4.758 2.581 1.00 23.94 C ATOM 1282 CG GLU A 86 43.709 -4.345 1.402 1.00 24.82 C ATOM 1283 CD GLU A 86 44.923 -3.504 1.774 1.00 24.90 C ATOM 1284 OE1 GLU A 86 45.555 -2.943 0.849 1.00 25.92 O ATOM 1285 OE2 GLU A 86 45.248 -3.385 2.973 1.00 26.96 O ATOM 1286 HA GLU A 86 41.222 -5.339 1.306 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.353 -3.865 2.993 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.451 -5.221 3.342 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.063 -5.251 0.910 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.099 -3.770 0.705 1.00 0.00 H ATOM 1291 H GLU A 86 40.887 -5.448 4.163 1.00 0.00 H ATOM 1292 N THR A 87 42.369 -7.379 0.498 1.00 24.19 N ATOM 1293 CA THR A 87 42.916 -8.640 -0.016 1.00 25.10 C ATOM 1294 C THR A 87 44.432 -8.694 0.168 1.00 25.52 C ATOM 1295 O THR A 87 45.093 -7.661 0.355 1.00 25.58 O ATOM 1296 CB THR A 87 42.624 -8.825 -1.519 1.00 25.17 C ATOM 1297 OG1 THR A 87 43.340 -7.828 -2.257 1.00 25.30 O ATOM 1298 CG2 THR A 87 41.116 -8.731 -1.817 1.00 24.90 C ATOM 1299 HA THR A 87 42.431 -9.434 0.552 1.00 0.00 H ATOM 1300 HB THR A 87 42.953 -9.820 -1.820 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.158 -7.940 -3.224 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.586 -9.495 -1.248 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.751 -7.745 -1.530 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.947 -8.887 -2.883 1.00 0.00 H ATOM 1305 H THR A 87 42.025 -6.668 -0.178 1.00 0.00 H ATOM 1306 N GLY A 88 44.974 -9.908 0.087 1.00 26.50 N ATOM 1307 CA GLY A 88 46.411 -10.134 0.198 1.00 27.38 C ATOM 1308 C GLY A 88 47.233 -9.465 -0.890 1.00 27.72 C ATOM 1309 O GLY A 88 48.355 -9.019 -0.636 1.00 28.59 O ATOM 1310 HA3 GLY A 88 46.593 -11.208 0.153 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.744 -9.751 1.163 1.00 0.00 H ATOM 1312 H GLY A 88 44.349 -10.726 -0.061 1.00 0.00 H ATOM 1313 N SER A 89 46.680 -9.383 -2.097 1.00 27.65 N ATOM 1314 CA SER A 89 47.403 -8.815 -3.234 1.00 28.08 C ATOM 1315 C SER A 89 47.144 -7.318 -3.451 1.00 27.63 C ATOM 1316 O SER A 89 47.747 -6.702 -4.335 1.00 27.71 O ATOM 1317 CB SER A 89 47.102 -9.604 -4.508 1.00 28.49 C ATOM 1318 OG SER A 89 45.749 -9.461 -4.890 1.00 29.63 O ATOM 1319 HA SER A 89 48.462 -8.902 -2.991 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.312 -10.659 -4.331 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.740 -9.237 -5.313 1.00 0.00 H ATOM 1322 HG SER A 89 45.584 -9.981 -5.716 1.00 0.00 H ATOM 1323 H SER A 89 45.710 -9.731 -2.235 1.00 0.00 H ATOM 1324 N SER A 90 46.268 -6.727 -2.635 1.00 27.18 N ATOM 1325 CA SER A 90 45.942 -5.306 -2.744 1.00 26.47 C ATOM 1326 C SER A 90 47.172 -4.426 -2.539 1.00 26.46 C ATOM 1327 O SER A 90 47.891 -4.576 -1.552 1.00 26.48 O ATOM 1328 CB SER A 90 44.851 -4.939 -1.734 1.00 25.84 C ATOM 1329 OG SER A 90 44.756 -3.532 -1.542 1.00 23.63 O ATOM 1330 HA SER A 90 45.574 -5.125 -3.754 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.082 -5.410 -0.779 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.893 -5.310 -2.099 1.00 0.00 H ATOM 1333 HG SER A 90 45.620 -3.187 -1.204 1.00 0.00 H ATOM 1334 H SER A 90 45.803 -7.295 -1.899 1.00 0.00 H ATOM 1335 N LYS A 91 47.397 -3.500 -3.470 1.00 26.92 N ATOM 1336 CA LYS A 91 48.552 -2.604 -3.413 1.00 26.94 C ATOM 1337 C LYS A 91 48.112 -1.157 -3.565 1.00 26.81 C ATOM 1338 O LYS A 91 47.673 -0.737 -4.646 1.00 26.48 O ATOM 1339 CB LYS A 91 49.581 -2.945 -4.502 1.00 27.64 C ATOM 1340 CG LYS A 91 50.143 -4.361 -4.445 1.00 28.13 C ATOM 1341 CD LYS A 91 50.965 -4.605 -3.192 1.00 29.56 C ATOM 1342 CE LYS A 91 51.178 -6.104 -2.958 1.00 31.53 C ATOM 1343 NZ LYS A 91 52.142 -6.739 -3.914 1.00 32.19 N ATOM 1344 HA LYS A 91 49.022 -2.739 -2.439 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.102 -2.811 -5.472 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.414 -2.248 -4.410 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.314 -5.068 -4.464 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.777 -4.522 -5.317 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.935 -4.120 -3.302 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.443 -4.181 -2.334 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.216 -6.607 -3.056 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.557 -6.243 -1.946 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.789 -6.626 -4.886 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.070 -6.279 -3.825 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.233 -7.751 -3.692 1.00 0.00 H ATOM 1356 H LYS A 91 46.730 -3.411 -4.263 1.00 0.00 H ATOM 1357 N TYR A 92 48.228 -0.409 -2.470 1.00 26.68 N ATOM 1358 CA TYR A 92 47.977 1.025 -2.473 1.00 27.62 C ATOM 1359 C TYR A 92 48.706 1.647 -3.668 1.00 27.76 C ATOM 1360 O TYR A 92 49.874 1.318 -3.907 1.00 27.49 O ATOM 1361 CB TYR A 92 48.484 1.643 -1.167 1.00 27.81 C ATOM 1362 CG TYR A 92 48.294 3.143 -1.085 1.00 28.66 C ATOM 1363 CD1 TYR A 92 47.082 3.687 -0.659 1.00 29.48 C ATOM 1364 CD2 TYR A 92 49.319 4.019 -1.445 1.00 29.60 C ATOM 1365 CE1 TYR A 92 46.895 5.058 -0.590 1.00 29.68 C ATOM 1366 CE2 TYR A 92 49.143 5.399 -1.381 1.00 29.67 C ATOM 1367 CZ TYR A 92 47.926 5.907 -0.948 1.00 29.76 C ATOM 1368 OH TYR A 92 47.734 7.265 -0.874 1.00 29.71 O ATOM 1369 HA TYR A 92 46.907 1.217 -2.555 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.548 1.426 -1.074 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.947 1.183 -0.338 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.274 3.616 -1.782 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.951 6.072 -1.667 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.941 5.465 -0.255 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.267 3.021 -0.375 1.00 0.00 H ATOM 1376 HH TYR A 92 46.817 7.450 -0.549 1.00 0.00 H ATOM 1377 H TYR A 92 48.508 -0.866 -1.579 1.00 0.00 H ATOM 1378 N PRO A 93 48.038 2.553 -4.413 1.00 28.15 N ATOM 1379 CA PRO A 93 46.690 3.106 -4.234 1.00 28.54 C ATOM 1380 C PRO A 93 45.561 2.267 -4.842 1.00 28.94 C ATOM 1381 O PRO A 93 44.391 2.670 -4.767 1.00 29.03 O ATOM 1382 CB PRO A 93 46.788 4.450 -4.960 1.00 28.63 C ATOM 1383 CG PRO A 93 47.713 4.172 -6.087 1.00 28.69 C ATOM 1384 CD PRO A 93 48.719 3.165 -5.574 1.00 28.21 C ATOM 1385 HA PRO A 93 46.429 3.155 -3.177 1.00 0.00 H ATOM 1386 HD3 PRO A 93 48.942 2.416 -6.334 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.642 3.658 -5.269 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.218 5.087 -6.395 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.164 3.759 -6.933 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.812 4.767 -5.327 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.195 5.219 -4.303 1.00 0.00 H ATOM 1392 N ASN A 94 45.901 1.129 -5.445 1.00 28.83 N ATOM 1393 CA ASN A 94 44.901 0.218 -6.002 1.00 28.89 C ATOM 1394 C ASN A 94 44.373 -0.687 -4.898 1.00 28.17 C ATOM 1395 O ASN A 94 44.682 -1.881 -4.847 1.00 28.35 O ATOM 1396 CB ASN A 94 45.484 -0.633 -7.146 1.00 29.22 C ATOM 1397 CG ASN A 94 45.878 0.189 -8.358 1.00 31.78 C ATOM 1398 OD1 ASN A 94 47.013 0.103 -8.829 1.00 32.69 O ATOM 1399 ND2 ASN A 94 44.946 0.979 -8.878 1.00 32.41 N ATOM 1400 HA ASN A 94 44.088 0.814 -6.415 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.368 -1.152 -6.776 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.735 -1.364 -7.451 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.000 1.021 -8.448 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.162 1.556 -9.716 1.00 0.00 H ATOM 1405 H ASN A 94 46.908 0.881 -5.522 1.00 0.00 H ATOM 1406 N CYS A 95 43.585 -0.109 -3.994 1.00 27.32 N ATOM 1407 CA CYS A 95 43.089 -0.845 -2.843 1.00 26.18 C ATOM 1408 C CYS A 95 42.022 -1.851 -3.248 1.00 25.07 C ATOM 1409 O CYS A 95 41.031 -1.488 -3.890 1.00 26.24 O ATOM 1410 CB CYS A 95 42.539 0.130 -1.804 1.00 26.33 C ATOM 1411 SG CYS A 95 43.769 1.321 -1.231 1.00 27.14 S ATOM 1412 HA CYS A 95 43.919 -1.402 -2.408 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.182 -0.441 -0.947 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.706 0.676 -2.247 1.00 0.00 H ATOM 1415 H CYS A 95 43.319 0.889 -4.114 1.00 0.00 H ATOM 1416 N ALA A 96 42.244 -3.113 -2.888 1.00 22.59 N ATOM 1417 CA ALA A 96 41.306 -4.177 -3.230 1.00 21.25 C ATOM 1418 C ALA A 96 40.785 -4.886 -1.994 1.00 20.34 C ATOM 1419 O ALA A 96 41.527 -5.140 -1.038 1.00 20.44 O ATOM 1420 CB ALA A 96 41.941 -5.176 -4.209 1.00 21.31 C ATOM 1421 HA ALA A 96 40.452 -3.712 -3.723 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.228 -4.655 -5.122 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.824 -5.621 -3.750 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.220 -5.958 -4.447 1.00 0.00 H ATOM 1425 H ALA A 96 43.104 -3.346 -2.352 1.00 0.00 H ATOM 1426 N TYR A 97 39.497 -5.209 -2.046 1.00 19.28 N ATOM 1427 CA TYR A 97 38.761 -5.697 -0.894 1.00 19.22 C ATOM 1428 C TYR A 97 37.868 -6.873 -1.230 1.00 19.15 C ATOM 1429 O TYR A 97 37.272 -6.944 -2.319 1.00 19.42 O ATOM 1430 CB TYR A 97 37.877 -4.577 -0.320 1.00 18.82 C ATOM 1431 CG TYR A 97 38.654 -3.434 0.271 1.00 17.65 C ATOM 1432 CD1 TYR A 97 39.004 -2.329 -0.505 1.00 18.41 C ATOM 1433 CD2 TYR A 97 39.058 -3.464 1.607 1.00 16.97 C ATOM 1434 CE1 TYR A 97 39.740 -1.289 0.031 1.00 17.67 C ATOM 1435 CE2 TYR A 97 39.808 -2.433 2.146 1.00 17.72 C ATOM 1436 CZ TYR A 97 40.140 -1.352 1.355 1.00 19.23 C ATOM 1437 OH TYR A 97 40.852 -0.317 1.893 1.00 19.08 O ATOM 1438 HA TYR A 97 39.505 -6.023 -0.167 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.245 -5.003 0.459 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.250 -4.188 -1.122 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.779 -4.311 2.234 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.133 -2.475 3.185 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.003 -0.428 -0.583 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.693 -2.285 -1.549 1.00 0.00 H ATOM 1445 HH TYR A 97 40.342 0.078 2.644 1.00 0.00 H ATOM 1446 H TYR A 97 38.995 -5.108 -2.951 1.00 0.00 H ATOM 1447 N LYS A 98 37.757 -7.781 -0.276 1.00 20.23 N ATOM 1448 CA LYS A 98 36.725 -8.804 -0.319 1.00 21.22 C ATOM 1449 C LYS A 98 35.479 -8.251 0.377 1.00 20.49 C ATOM 1450 O LYS A 98 35.568 -7.721 1.493 1.00 19.65 O ATOM 1451 CB LYS A 98 37.210 -10.081 0.362 1.00 21.99 C ATOM 1452 CG LYS A 98 36.109 -11.084 0.732 1.00 23.74 C ATOM 1453 CD LYS A 98 36.703 -12.375 1.303 1.00 25.26 C ATOM 1454 CE LYS A 98 37.529 -12.148 2.581 1.00 26.97 C ATOM 1455 NZ LYS A 98 36.750 -11.614 3.742 1.00 30.19 N ATOM 1456 HA LYS A 98 36.488 -9.058 -1.352 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.907 -10.579 -0.312 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.730 -9.799 1.277 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.454 -10.634 1.478 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.531 -11.323 -0.161 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.887 -13.060 1.534 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.349 -12.823 0.548 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.324 -11.439 2.350 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.968 -13.101 2.876 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.333 -10.696 3.486 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.993 -12.284 3.987 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.384 -11.492 4.557 1.00 0.00 H ATOM 1468 H LYS A 98 38.423 -7.763 0.523 1.00 0.00 H ATOM 1469 N THR A 99 34.334 -8.386 -0.288 1.00 20.35 N ATOM 1470 CA THR A 99 33.034 -7.926 0.186 1.00 21.02 C ATOM 1471 C THR A 99 32.265 -9.100 0.791 1.00 21.74 C ATOM 1472 O THR A 99 32.034 -10.111 0.113 1.00 21.85 O ATOM 1473 CB THR A 99 32.205 -7.331 -0.993 1.00 21.08 C ATOM 1474 OG1 THR A 99 32.818 -6.126 -1.473 1.00 20.85 O ATOM 1475 CG2 THR A 99 30.791 -7.015 -0.557 1.00 20.73 C ATOM 1476 HA THR A 99 33.192 -7.154 0.939 1.00 0.00 H ATOM 1477 HB THR A 99 32.178 -8.077 -1.787 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.859 -5.463 -0.739 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.314 -7.924 -0.190 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.815 -6.269 0.237 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.229 -6.625 -1.406 1.00 0.00 H ATOM 1482 H THR A 99 34.369 -8.855 -1.216 1.00 0.00 H ATOM 1483 N THR A 100 31.873 -8.976 2.061 1.00 21.31 N ATOM 1484 CA THR A 100 31.086 -10.016 2.729 1.00 22.40 C ATOM 1485 C THR A 100 29.846 -9.458 3.414 1.00 22.65 C ATOM 1486 O THR A 100 29.925 -8.699 4.380 1.00 22.29 O ATOM 1487 CB THR A 100 31.903 -10.823 3.757 1.00 22.76 C ATOM 1488 OG1 THR A 100 33.069 -11.371 3.134 1.00 23.38 O ATOM 1489 CG2 THR A 100 31.045 -11.970 4.369 1.00 22.83 C ATOM 1490 HA THR A 100 30.779 -10.687 1.927 1.00 0.00 H ATOM 1491 HB THR A 100 32.204 -10.149 4.559 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.628 -10.636 2.778 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.159 -11.547 4.842 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.743 -12.658 3.579 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.635 -12.506 5.113 1.00 0.00 H ATOM 1496 H THR A 100 32.133 -8.119 2.590 1.00 0.00 H ATOM 1497 N GLN A 101 28.702 -9.886 2.910 1.00 22.62 N ATOM 1498 CA GLN A 101 27.407 -9.508 3.413 1.00 23.33 C ATOM 1499 C GLN A 101 27.028 -10.465 4.527 1.00 23.10 C ATOM 1500 O GLN A 101 27.294 -11.669 4.440 1.00 23.35 O ATOM 1501 CB GLN A 101 26.416 -9.616 2.253 1.00 23.59 C ATOM 1502 CG GLN A 101 24.976 -9.370 2.596 1.00 25.47 C ATOM 1503 CD GLN A 101 24.768 -8.029 3.258 1.00 27.07 C ATOM 1504 OE1 GLN A 101 25.329 -7.018 2.830 1.00 27.22 O ATOM 1505 NE2 GLN A 101 23.954 -8.007 4.306 1.00 25.93 N ATOM 1506 HA GLN A 101 27.405 -8.492 3.807 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.708 -8.889 1.495 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.494 -10.621 1.839 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.386 -9.405 1.680 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.638 -10.153 3.275 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.502 -8.885 4.632 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.768 -7.112 4.801 1.00 0.00 H ATOM 1513 H GLN A 101 28.739 -10.536 2.099 1.00 0.00 H ATOM 1514 N ALA A 102 26.423 -9.916 5.580 1.00 22.39 N ATOM 1515 CA ALA A 102 25.973 -10.717 6.708 1.00 22.17 C ATOM 1516 C ALA A 102 24.871 -9.995 7.456 1.00 21.22 C ATOM 1517 O ALA A 102 24.644 -8.803 7.262 1.00 21.05 O ATOM 1518 CB ALA A 102 27.141 -11.013 7.646 1.00 23.14 C ATOM 1519 HA ALA A 102 25.580 -11.661 6.331 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.911 -11.562 7.103 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.554 -10.075 8.017 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.789 -11.613 8.485 1.00 0.00 H ATOM 1523 H ALA A 102 26.268 -8.888 5.596 1.00 0.00 H ATOM 1524 N ASN A 103 24.172 -10.741 8.303 1.00 20.68 N ATOM 1525 CA ASN A 103 23.201 -10.148 9.211 1.00 20.51 C ATOM 1526 C ASN A 103 23.662 -10.495 10.608 1.00 19.75 C ATOM 1527 O ASN A 103 23.672 -11.659 11.003 1.00 19.75 O ATOM 1528 CB ASN A 103 21.776 -10.630 8.922 1.00 21.38 C ATOM 1529 CG ASN A 103 21.271 -10.139 7.577 1.00 21.93 C ATOM 1530 OD1 ASN A 103 20.716 -9.039 7.461 1.00 23.46 O ATOM 1531 ND2 ASN A 103 21.473 -10.950 6.547 1.00 24.73 N ATOM 1532 HA ASN A 103 23.154 -9.066 9.084 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.765 -11.720 8.926 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.113 -10.259 9.704 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.944 -11.866 6.691 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.160 -10.670 5.595 1.00 0.00 H ATOM 1537 H ASN A 103 24.321 -11.770 8.318 1.00 0.00 H ATOM 1538 N LYS A 104 24.112 -9.469 11.329 1.00 18.22 N ATOM 1539 CA LYS A 104 24.748 -9.651 12.634 1.00 17.29 C ATOM 1540 C LYS A 104 24.373 -8.526 13.582 1.00 16.68 C ATOM 1541 O LYS A 104 23.867 -7.486 13.174 1.00 16.24 O ATOM 1542 CB LYS A 104 26.273 -9.719 12.482 1.00 17.37 C ATOM 1543 CG LYS A 104 26.772 -10.906 11.662 1.00 19.23 C ATOM 1544 CD LYS A 104 28.285 -10.916 11.593 1.00 21.05 C ATOM 1545 CE LYS A 104 28.844 -12.198 11.000 1.00 24.41 C ATOM 1546 NZ LYS A 104 30.315 -12.254 11.218 1.00 27.23 N ATOM 1547 HA LYS A 104 24.390 -10.591 13.054 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.609 -8.803 11.996 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.713 -9.783 13.477 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.429 -11.831 12.127 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.369 -10.837 10.652 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.610 -10.077 10.977 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.680 -10.799 12.602 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.635 -12.224 9.931 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.373 -13.055 11.482 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.764 -11.437 10.757 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.514 -12.231 12.238 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.691 -13.133 10.810 1.00 0.00 H ATOM 1559 H LYS A 104 24.008 -8.506 10.951 1.00 0.00 H ATOM 1560 N HIS A 105 24.605 -8.753 14.873 1.00 15.88 N ATOM 1561 CA HIS A 105 24.448 -7.695 15.856 1.00 14.85 C ATOM 1562 C HIS A 105 25.664 -6.800 15.727 1.00 14.01 C ATOM 1563 O HIS A 105 26.784 -7.295 15.604 1.00 16.30 O ATOM 1564 CB HIS A 105 24.358 -8.274 17.266 1.00 15.67 C ATOM 1565 CG HIS A 105 23.213 -9.217 17.444 1.00 17.40 C ATOM 1566 ND1 HIS A 105 21.962 -8.798 17.847 1.00 18.85 N ATOM 1567 CD2 HIS A 105 23.115 -10.549 17.224 1.00 20.13 C ATOM 1568 CE1 HIS A 105 21.149 -9.840 17.902 1.00 20.61 C ATOM 1569 NE2 HIS A 105 21.823 -10.913 17.526 1.00 21.45 N ATOM 1570 HA HIS A 105 23.528 -7.137 15.681 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.284 -8.808 17.481 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.242 -7.451 17.972 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.909 -11.208 16.874 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.102 -9.818 18.205 1.00 0.00 H ATOM 1575 H HIS A 105 24.903 -9.700 15.182 1.00 0.00 H ATOM 1576 N ILE A 106 25.437 -5.496 15.714 1.00 12.47 N ATOM 1577 CA ILE A 106 26.571 -4.566 15.673 1.00 11.92 C ATOM 1578 C ILE A 106 26.917 -4.067 17.078 1.00 10.84 C ATOM 1579 O ILE A 106 26.047 -4.004 17.965 1.00 10.69 O ATOM 1580 CB ILE A 106 26.337 -3.378 14.712 1.00 11.34 C ATOM 1581 CG1 ILE A 106 25.196 -2.464 15.201 1.00 12.96 C ATOM 1582 CG2 ILE A 106 26.089 -3.873 13.273 1.00 13.41 C ATOM 1583 CD1 ILE A 106 25.133 -1.133 14.465 1.00 13.24 C ATOM 1584 HA ILE A 106 27.419 -5.126 15.279 1.00 0.00 H ATOM 1585 HB ILE A 106 27.246 -2.776 14.705 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.249 -2.985 15.057 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.342 -2.266 16.263 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.070 -0.595 14.609 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.976 -1.314 13.402 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.308 -0.540 14.859 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.957 -4.436 12.929 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.208 -4.515 13.258 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.927 -3.017 12.618 1.00 0.00 H ATOM 1594 H ILE A 106 24.462 -5.134 15.733 1.00 0.00 H ATOM 1595 N ILE A 107 28.189 -3.736 17.267 1.00 9.96 N ATOM 1596 CA ILE A 107 28.617 -3.120 18.507 1.00 9.80 C ATOM 1597 C ILE A 107 29.290 -1.800 18.150 1.00 9.33 C ATOM 1598 O ILE A 107 30.270 -1.785 17.410 1.00 10.31 O ATOM 1599 CB ILE A 107 29.577 -4.010 19.320 1.00 9.62 C ATOM 1600 CG1 ILE A 107 28.912 -5.342 19.682 1.00 10.34 C ATOM 1601 CG2 ILE A 107 30.004 -3.295 20.600 1.00 11.45 C ATOM 1602 CD1 ILE A 107 29.853 -6.380 20.296 1.00 11.79 C ATOM 1603 HA ILE A 107 27.746 -2.965 19.144 1.00 0.00 H ATOM 1604 HB ILE A 107 30.454 -4.209 18.703 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.115 -5.140 20.398 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.484 -5.766 18.774 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.652 -6.607 19.590 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.282 -5.981 21.215 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.294 -7.289 20.519 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.511 -2.365 20.343 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.123 -3.076 21.203 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.682 -3.936 21.164 1.00 0.00 H ATOM 1613 H ILE A 107 28.886 -3.921 16.517 1.00 0.00 H ATOM 1614 N VAL A 108 28.736 -0.696 18.655 1.00 10.08 N ATOM 1615 CA VAL A 108 29.275 0.633 18.391 1.00 10.09 C ATOM 1616 C VAL A 108 29.599 1.332 19.707 1.00 9.78 C ATOM 1617 O VAL A 108 28.994 1.018 20.731 1.00 10.76 O ATOM 1618 CB VAL A 108 28.293 1.496 17.573 1.00 10.34 C ATOM 1619 CG1 VAL A 108 28.060 0.899 16.179 1.00 11.07 C ATOM 1620 CG2 VAL A 108 26.980 1.681 18.317 1.00 10.97 C ATOM 1621 HA VAL A 108 30.184 0.511 17.803 1.00 0.00 H ATOM 1622 HB VAL A 108 28.743 2.480 17.441 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.008 0.848 15.644 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.643 -0.103 16.279 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.363 1.530 15.627 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.525 0.707 18.496 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.170 2.175 19.270 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.307 2.293 17.717 1.00 0.00 H ATOM 1629 H VAL A 108 27.892 -0.786 19.256 1.00 0.00 H ATOM 1630 N ALA A 109 30.567 2.256 19.668 1.00 9.68 N ATOM 1631 CA ALA A 109 30.836 3.098 20.825 1.00 10.16 C ATOM 1632 C ALA A 109 30.104 4.412 20.621 1.00 10.15 C ATOM 1633 O ALA A 109 30.111 4.941 19.495 1.00 10.76 O ATOM 1634 CB ALA A 109 32.317 3.366 21.001 1.00 10.33 C ATOM 1635 HA ALA A 109 30.493 2.585 21.723 1.00 0.00 H ATOM 1636 HB1 ALA A 109 32.842 2.421 21.138 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.701 3.871 20.115 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.469 3.998 21.876 1.00 0.00 H ATOM 1639 H ALA A 109 31.132 2.373 18.803 1.00 0.00 H ATOM 1640 N CYS A 110 29.480 4.932 21.677 1.00 10.47 N ATOM 1641 CA CYS A 110 28.732 6.185 21.598 1.00 10.21 C ATOM 1642 C CYS A 110 29.310 7.226 22.538 1.00 10.77 C ATOM 1643 O CYS A 110 29.780 6.897 23.635 1.00 10.99 O ATOM 1644 CB CYS A 110 27.277 5.939 21.969 1.00 12.25 C ATOM 1645 SG CYS A 110 26.524 4.692 20.907 1.00 12.59 S ATOM 1646 HA CYS A 110 28.803 6.556 20.575 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.723 6.872 21.867 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.228 5.600 23.004 1.00 0.00 H ATOM 1649 H CYS A 110 29.527 4.430 22.587 1.00 0.00 H ATOM 1650 N GLU A 111 29.242 8.493 22.120 1.00 11.09 N ATOM 1651 CA GLU A 111 29.758 9.621 22.900 1.00 11.72 C ATOM 1652 C GLU A 111 28.970 10.879 22.593 1.00 11.53 C ATOM 1653 O GLU A 111 28.336 10.958 21.539 1.00 12.01 O ATOM 1654 CB GLU A 111 31.223 9.914 22.575 1.00 11.12 C ATOM 1655 CG GLU A 111 32.205 8.820 22.991 1.00 12.95 C ATOM 1656 CD GLU A 111 33.651 9.236 22.868 1.00 13.61 C ATOM 1657 OE1 GLU A 111 33.999 9.903 21.872 1.00 16.61 O ATOM 1658 OE2 GLU A 111 34.450 8.860 23.751 1.00 16.81 O ATOM 1659 HA GLU A 111 29.663 9.342 23.949 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.309 10.055 21.498 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.506 10.835 23.085 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.008 8.555 24.030 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.041 7.948 22.358 1.00 0.00 H ATOM 1664 H GLU A 111 28.802 8.688 21.198 1.00 0.00 H ATOM 1665 N GLY A 112 29.077 11.844 23.505 1.00 12.03 N ATOM 1666 CA GLY A 112 28.611 13.212 23.297 1.00 13.67 C ATOM 1667 C GLY A 112 27.186 13.490 23.734 1.00 15.70 C ATOM 1668 O GLY A 112 26.512 12.652 24.330 1.00 15.47 O ATOM 1669 HA3 GLY A 112 28.685 13.434 22.232 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.269 13.879 23.853 1.00 0.00 H ATOM 1671 H GLY A 112 29.518 11.610 24.417 1.00 0.00 H ATOM 1672 N ASN A 113 26.718 14.693 23.423 1.00 17.87 N ATOM 1673 CA ASN A 113 25.338 15.090 23.632 1.00 19.51 C ATOM 1674 C ASN A 113 24.948 15.881 22.394 1.00 19.30 C ATOM 1675 O ASN A 113 25.438 17.011 22.214 1.00 21.12 O ATOM 1676 CB ASN A 113 25.212 15.948 24.884 1.00 20.73 C ATOM 1677 CG ASN A 113 23.761 16.252 25.253 1.00 21.23 C ATOM 1678 OD1 ASN A 113 22.829 15.857 24.550 1.00 24.44 O ATOM 1679 ND2 ASN A 113 23.573 16.923 26.377 1.00 25.07 N ATOM 1680 HA ASN A 113 24.687 14.228 23.777 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.680 15.421 25.716 1.00 0.00 H ATOM 1682 HB3 ASN A 113 25.733 16.890 24.714 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.390 17.237 26.938 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.608 17.137 26.700 1.00 0.00 H ATOM 1685 H ASN A 113 27.374 15.386 23.009 1.00 0.00 H ATOM 1686 N PRO A 114 24.118 15.283 21.519 1.00 19.72 N ATOM 1687 CA PRO A 114 23.416 14.010 21.716 1.00 18.90 C ATOM 1688 C PRO A 114 24.385 12.818 21.750 1.00 18.17 C ATOM 1689 O PRO A 114 25.515 12.890 21.246 1.00 17.94 O ATOM 1690 CB PRO A 114 22.500 13.914 20.487 1.00 19.78 C ATOM 1691 CG PRO A 114 23.218 14.708 19.451 1.00 20.83 C ATOM 1692 CD PRO A 114 23.858 15.841 20.178 1.00 20.01 C ATOM 1693 HA PRO A 114 22.882 13.979 22.666 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.787 16.141 19.693 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.186 16.698 20.235 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.516 15.083 18.706 1.00 0.00 H ATOM 1697 HG2 PRO A 114 23.975 14.096 18.960 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.381 12.878 20.170 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.520 14.343 20.697 1.00 0.00 H ATOM 1700 N TYR A 115 23.923 11.736 22.358 1.00 16.76 N ATOM 1701 CA TYR A 115 24.731 10.542 22.531 1.00 15.52 C ATOM 1702 C TYR A 115 24.573 9.682 21.302 1.00 15.61 C ATOM 1703 O TYR A 115 23.528 9.061 21.102 1.00 16.27 O ATOM 1704 CB TYR A 115 24.229 9.793 23.747 1.00 15.15 C ATOM 1705 CG TYR A 115 25.190 8.781 24.348 1.00 13.92 C ATOM 1706 CD1 TYR A 115 26.452 9.171 24.787 1.00 13.05 C ATOM 1707 CD2 TYR A 115 24.797 7.461 24.559 1.00 13.67 C ATOM 1708 CE1 TYR A 115 27.310 8.264 25.389 1.00 12.97 C ATOM 1709 CE2 TYR A 115 25.658 6.543 25.173 1.00 13.56 C ATOM 1710 CZ TYR A 115 26.910 6.961 25.576 1.00 13.07 C ATOM 1711 OH TYR A 115 27.782 6.096 26.199 1.00 13.85 O ATOM 1712 HA TYR A 115 25.781 10.799 22.669 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.321 9.262 23.461 1.00 0.00 H ATOM 1714 HB2 TYR A 115 23.992 10.527 24.517 1.00 0.00 H ATOM 1715 HD2 TYR A 115 23.805 7.138 24.242 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.343 5.511 25.331 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.300 8.583 25.714 1.00 0.00 H ATOM 1718 HD1 TYR A 115 26.770 10.205 24.655 1.00 0.00 H ATOM 1719 HH TYR A 115 27.371 5.760 27.035 1.00 0.00 H ATOM 1720 H TYR A 115 22.949 11.742 22.724 1.00 0.00 H ATOM 1721 N VAL A 116 25.622 9.637 20.475 1.00 14.15 N ATOM 1722 CA VAL A 116 25.492 9.065 19.132 1.00 14.21 C ATOM 1723 C VAL A 116 26.709 8.175 18.822 1.00 13.60 C ATOM 1724 O VAL A 116 27.741 8.276 19.497 1.00 13.10 O ATOM 1725 CB VAL A 116 25.323 10.175 18.039 1.00 15.18 C ATOM 1726 CG1 VAL A 116 24.006 10.948 18.212 1.00 15.79 C ATOM 1727 CG2 VAL A 116 26.511 11.101 18.054 1.00 15.44 C ATOM 1728 HA VAL A 116 24.589 8.456 19.112 1.00 0.00 H ATOM 1729 HB VAL A 116 25.276 9.689 17.065 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.167 10.257 18.132 1.00 0.00 H ATOM 1731 HG12 VAL A 116 23.993 11.426 19.192 1.00 0.00 H ATOM 1732 HG13 VAL A 116 23.927 11.708 17.435 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.591 11.572 19.034 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.417 10.531 17.849 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.382 11.868 17.290 1.00 0.00 H ATOM 1736 H VAL A 116 26.540 10.012 20.788 1.00 0.00 H ATOM 1737 N PRO A 117 26.586 7.295 17.814 1.00 13.06 N ATOM 1738 CA PRO A 117 27.713 6.432 17.481 1.00 12.65 C ATOM 1739 C PRO A 117 28.911 7.227 16.965 1.00 12.90 C ATOM 1740 O PRO A 117 28.760 8.109 16.110 1.00 13.89 O ATOM 1741 CB PRO A 117 27.142 5.525 16.379 1.00 13.19 C ATOM 1742 CG PRO A 117 25.666 5.554 16.587 1.00 13.89 C ATOM 1743 CD PRO A 117 25.416 6.985 16.968 1.00 13.39 C ATOM 1744 HA PRO A 117 28.090 5.885 18.346 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.383 7.628 16.088 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.486 7.088 17.527 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.368 4.876 17.387 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.134 5.291 15.672 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.399 5.911 15.392 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.524 4.509 16.481 1.00 0.00 H ATOM 1751 N VAL A 118 30.099 6.925 17.481 1.00 11.29 N ATOM 1752 CA VAL A 118 31.311 7.559 17.003 1.00 12.24 C ATOM 1753 C VAL A 118 32.374 6.544 16.549 1.00 11.73 C ATOM 1754 O VAL A 118 33.411 6.920 16.023 1.00 11.86 O ATOM 1755 CB VAL A 118 31.900 8.504 18.049 1.00 12.33 C ATOM 1756 CG1 VAL A 118 30.963 9.670 18.338 1.00 12.91 C ATOM 1757 CG2 VAL A 118 32.215 7.786 19.327 1.00 13.01 C ATOM 1758 HA VAL A 118 31.019 8.141 16.129 1.00 0.00 H ATOM 1759 HB VAL A 118 32.828 8.894 17.630 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.792 10.233 17.421 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.014 9.287 18.713 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.415 10.321 19.086 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.302 7.350 19.732 1.00 0.00 H ATOM 1764 HG22 VAL A 118 32.940 6.996 19.129 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.632 8.492 20.046 1.00 0.00 H ATOM 1766 H VAL A 118 30.159 6.220 18.243 1.00 0.00 H ATOM 1767 N HIS A 119 32.130 5.250 16.753 1.00 10.79 N ATOM 1768 CA HIS A 119 33.134 4.205 16.450 1.00 10.48 C ATOM 1769 C HIS A 119 32.404 2.901 16.233 1.00 10.25 C ATOM 1770 O HIS A 119 31.434 2.588 16.938 1.00 10.78 O ATOM 1771 CB HIS A 119 34.097 4.118 17.637 1.00 11.27 C ATOM 1772 CG HIS A 119 34.854 2.842 17.744 1.00 11.25 C ATOM 1773 ND1 HIS A 119 36.004 2.599 17.030 1.00 13.66 N ATOM 1774 CD2 HIS A 119 34.659 1.760 18.542 1.00 12.75 C ATOM 1775 CE1 HIS A 119 36.458 1.396 17.342 1.00 13.28 C ATOM 1776 NE2 HIS A 119 35.668 0.875 18.267 1.00 12.23 N ATOM 1777 HA HIS A 119 33.706 4.435 15.551 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.817 4.932 17.548 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.518 4.245 18.552 1.00 0.00 H ATOM 1780 HD2 HIS A 119 33.854 1.622 19.263 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.335 0.915 16.910 1.00 0.00 H ATOM 1782 H HIS A 119 31.206 4.965 17.137 1.00 0.00 H ATOM 1783 N PHE A 120 32.820 2.175 15.206 1.00 10.42 N ATOM 1784 CA PHE A 120 32.341 0.839 14.996 1.00 9.66 C ATOM 1785 C PHE A 120 33.311 -0.140 15.643 1.00 9.75 C ATOM 1786 O PHE A 120 34.475 -0.231 15.245 1.00 11.25 O ATOM 1787 CB PHE A 120 32.195 0.531 13.500 1.00 10.04 C ATOM 1788 CG PHE A 120 31.412 -0.708 13.235 1.00 10.03 C ATOM 1789 CD1 PHE A 120 30.042 -0.654 12.954 1.00 11.42 C ATOM 1790 CD2 PHE A 120 32.046 -1.950 13.274 1.00 9.62 C ATOM 1791 CE1 PHE A 120 29.313 -1.833 12.748 1.00 12.45 C ATOM 1792 CE2 PHE A 120 31.310 -3.133 13.061 1.00 11.06 C ATOM 1793 CZ PHE A 120 29.944 -3.052 12.783 1.00 11.98 C ATOM 1794 HA PHE A 120 31.355 0.741 15.450 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.691 1.370 13.020 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.190 0.412 13.071 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.117 -2.006 13.470 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.803 -4.104 13.113 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.375 -3.962 12.593 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.241 -1.782 12.559 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.539 0.311 12.895 1.00 0.00 H ATOM 1802 H PHE A 120 33.507 2.581 14.539 1.00 0.00 H ATOM 1803 N ASP A 121 32.840 -0.900 16.637 1.00 10.18 N ATOM 1804 CA ASP A 121 33.736 -1.790 17.383 1.00 10.89 C ATOM 1805 C ASP A 121 33.817 -3.210 16.842 1.00 10.89 C ATOM 1806 O ASP A 121 34.922 -3.756 16.730 1.00 12.32 O ATOM 1807 CB ASP A 121 33.361 -1.791 18.871 1.00 10.81 C ATOM 1808 CG ASP A 121 34.539 -2.101 19.776 1.00 10.42 C ATOM 1809 OD1 ASP A 121 35.596 -1.454 19.615 1.00 11.67 O ATOM 1810 OD2 ASP A 121 34.410 -2.983 20.650 1.00 11.03 O ATOM 1811 HA ASP A 121 34.738 -1.381 17.251 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.970 -0.807 19.132 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.589 -2.543 19.035 1.00 0.00 H ATOM 1814 H ASP A 121 31.830 -0.860 16.883 1.00 0.00 H ATOM 1815 N ALA A 122 32.673 -3.822 16.521 1.00 11.06 N ATOM 1816 CA ALA A 122 32.649 -5.250 16.201 1.00 11.48 C ATOM 1817 C ALA A 122 31.283 -5.634 15.713 1.00 11.67 C ATOM 1818 O ALA A 122 30.335 -4.896 15.888 1.00 11.90 O ATOM 1819 CB ALA A 122 32.981 -6.043 17.436 1.00 12.69 C ATOM 1820 HA ALA A 122 33.383 -5.460 15.423 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.974 -5.765 17.789 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.245 -5.830 18.212 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.963 -7.107 17.199 1.00 0.00 H ATOM 1824 H ALA A 122 31.788 -3.276 16.498 1.00 0.00 H ATOM 1825 N SER A 123 31.169 -6.811 15.106 1.00 13.44 N ATOM 1826 CA SER A 123 29.861 -7.440 14.933 1.00 14.96 C ATOM 1827 C SER A 123 29.925 -8.827 15.531 1.00 16.16 C ATOM 1828 O SER A 123 30.979 -9.444 15.527 1.00 17.48 O ATOM 1829 CB SER A 123 29.456 -7.535 13.462 1.00 15.79 C ATOM 1830 OG SER A 123 30.392 -8.300 12.735 1.00 18.44 O ATOM 1831 HA SER A 123 29.111 -6.827 15.433 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.407 -6.532 13.039 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.476 -8.006 13.390 1.00 0.00 H ATOM 1834 HG SER A 123 31.283 -7.873 12.795 1.00 0.00 H ATOM 1835 H SER A 123 32.021 -7.290 14.750 1.00 0.00 H ATOM 1836 N VAL A 124 28.794 -9.309 16.038 1.00 16.94 N ATOM 1837 CA VAL A 124 28.745 -10.632 16.661 1.00 18.46 C ATOM 1838 C VAL A 124 27.502 -11.369 16.237 1.00 19.24 C ATOM 1839 O VAL A 124 26.536 -10.756 15.778 1.00 19.23 O ATOM 1840 CB VAL A 124 28.781 -10.563 18.211 1.00 18.40 C ATOM 1841 CG1 VAL A 124 30.131 -10.047 18.690 1.00 19.30 C ATOM 1842 CG2 VAL A 124 27.628 -9.702 18.768 1.00 18.97 C ATOM 1843 HA VAL A 124 29.635 -11.164 16.324 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.489 -12.598 16.384 1.00 20.62 O ATOM 1845 HB VAL A 124 28.643 -11.574 18.594 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.918 -10.718 18.346 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.301 -9.049 18.286 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.137 -10.006 19.779 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.711 -8.688 18.376 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.674 -10.134 18.464 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.687 -9.678 19.856 1.00 0.00 H ATOM 1852 H VAL A 124 27.928 -8.735 15.991 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 31.934 -6.980 25.108 1.00 11.84 O HETATM 1855 O HOH 2 27.064 14.480 19.658 1.00 20.17 O HETATM 1856 O HOH 3 30.767 7.633 26.299 1.00 12.33 O HETATM 1857 O HOH 4 33.896 -7.891 14.508 1.00 23.17 O HETATM 1858 O HOH 5 24.412 -13.581 8.250 1.00 29.18 O HETATM 1859 O HOH 6 32.962 -4.961 21.925 1.00 10.87 O HETATM 1860 O HOH 7 37.420 -0.495 21.372 1.00 13.45 O HETATM 1861 O HOH 8 19.838 -5.224 27.956 1.00 17.21 O HETATM 1862 O HOH 9 35.030 3.447 13.779 1.00 20.54 O HETATM 1863 O HOH 10 27.102 9.005 14.086 1.00 16.08 O HETATM 1864 O HOH 11 21.576 12.231 24.094 1.00 25.65 O HETATM 1865 O HOH 12 17.922 -6.273 8.883 1.00 32.29 O HETATM 1866 O HOH 13 23.745 -7.808 -5.204 1.00 33.39 O HETATM 1867 O HOH 14 30.324 14.022 17.196 1.00 21.85 O HETATM 1868 O HOH 15 40.806 -1.241 9.772 1.00 23.37 O HETATM 1869 O HOH 16 28.752 -9.411 22.820 1.00 17.20 O HETATM 1870 O HOH 17 32.116 -6.776 11.503 1.00 19.67 O HETATM 1871 O HOH 18 26.027 -9.994 -4.551 1.00 23.54 O HETATM 1872 O HOH 19 21.204 8.652 22.443 1.00 26.06 O HETATM 1873 O HOH 20 24.867 12.899 26.622 1.00 22.22 O HETATM 1874 O HOH 21 17.785 -0.142 16.519 1.00 19.99 O HETATM 1875 O HOH 22 33.359 -10.911 7.647 1.00 33.67 O HETATM 1876 O HOH 23 42.312 0.637 10.827 1.00 31.26 O HETATM 1877 O HOH 24 18.387 -0.949 26.645 1.00 22.92 O HETATM 1878 O HOH 25 46.622 -1.265 4.143 1.00 26.82 O HETATM 1879 O HOH 26 47.767 0.469 2.198 1.00 27.76 O HETATM 1880 O HOH 27 34.385 -9.386 -3.117 1.00 25.81 O HETATM 1881 O HOH 28 29.414 12.810 19.568 1.00 18.11 O HETATM 1882 O HOH 29 34.037 8.720 14.146 1.00 23.09 O HETATM 1883 O HOH 30 20.984 17.147 23.271 1.00 46.90 O HETATM 1884 O HOH 31 22.204 -8.583 21.026 1.00 24.94 O HETATM 1885 O HOH 32 24.481 4.131 28.561 1.00 34.97 O HETATM 1886 O HOH 33 25.882 14.717 16.972 1.00 28.52 O HETATM 1887 O HOH 34 41.388 -4.342 25.951 1.00 17.59 O HETATM 1888 O HOH 35 16.707 0.329 9.400 1.00 21.55 O HETATM 1889 O HOH 36 29.212 12.381 7.252 1.00 25.93 O HETATM 1890 O HOH 37 23.406 1.666 29.371 1.00 27.99 O HETATM 1891 O HOH 38 18.143 9.388 16.693 1.00 31.14 O HETATM 1892 O HOH 39 16.664 1.713 21.171 1.00 23.23 O HETATM 1893 O HOH 40 25.078 0.524 31.444 1.00 20.92 O HETATM 1894 O HOH 41 25.109 -4.123 32.009 1.00 39.07 O HETATM 1895 O HOH 42 45.874 -3.849 -6.079 1.00 30.01 O HETATM 1896 O HOH 43 35.126 -5.460 -3.319 1.00 20.46 O HETATM 1897 O HOH 44 20.050 14.321 23.498 1.00 35.59 O HETATM 1898 O HOH 45 34.101 15.283 16.943 1.00 35.15 O HETATM 1899 O HOH 46 29.065 0.204 31.928 1.00 44.68 O HETATM 1900 O HOH 47 20.038 9.895 18.578 1.00 31.00 O HETATM 1901 O HOH 48 25.697 -7.820 -7.611 1.00 30.25 O HETATM 1902 O HOH 49 35.002 -9.440 3.730 1.00 21.91 O HETATM 1903 O HOH 50 30.086 4.327 29.413 1.00 24.58 O HETATM 1904 O HOH 51 33.957 6.086 12.833 1.00 24.08 O HETATM 1905 O HOH 52 24.841 10.488 13.942 1.00 22.70 O HETATM 1906 O HOH 53 21.995 -4.850 29.706 1.00 24.63 O HETATM 1907 O HOH 54 29.849 -1.501 29.697 1.00 38.44 O HETATM 1908 O HOH 55 17.078 6.756 17.059 1.00 25.00 O HETATM 1909 O HOH 56 37.157 -2.266 16.313 1.00 31.30 O HETATM 1910 O HOH 57 36.701 -9.899 -4.141 1.00 30.53 O HETATM 1911 O HOH 58 28.008 -14.025 5.224 1.00 36.42 O HETATM 1912 O HOH 59 20.125 6.284 21.396 1.00 25.12 O HETATM 1913 O HOH 60 25.025 14.681 28.216 1.00 35.69 O HETATM 1914 O HOH 61 24.585 12.934 15.158 1.00 26.12 O HETATM 1915 O HOH 62 36.953 12.682 4.169 1.00 29.52 O HETATM 1916 O HOH 63 21.696 -9.778 27.612 1.00 22.81 O HETATM 1917 O HOH 64 26.341 -14.203 14.086 1.00 30.44 O HETATM 1918 O HOH 65 29.200 16.660 23.003 1.00 25.54 O HETATM 1919 O HOH 66 38.343 -7.526 -4.879 1.00 31.40 O HETATM 1920 O HOH 67 42.738 -8.306 -5.252 1.00 43.85 O HETATM 1921 O HOH 68 18.662 -3.180 17.362 1.00 26.35 O HETATM 1922 O HOH 69 47.455 -1.523 6.687 1.00 41.94 O HETATM 1923 O HOH 70 38.992 8.337 6.925 1.00 38.85 O HETATM 1924 O HOH 71 34.469 5.008 -6.040 1.00 31.38 O HETATM 1925 O HOH 72 37.476 1.240 31.274 1.00 29.81 O HETATM 1926 O HOH 73 27.658 -6.322 29.376 1.00 25.87 O HETATM 1927 O HOH 74 22.034 8.071 19.039 1.00 22.22 O HETATM 1928 O HOH 75 27.567 18.481 23.438 1.00 27.47 O HETATM 1929 O HOH 76 24.489 -5.043 29.533 1.00 27.73 O HETATM 1930 O HOH 77 33.259 -10.011 16.662 1.00 27.35 O HETATM 1931 O HOH 78 15.026 -2.059 0.388 1.00 54.87 O HETATM 1932 O HOH 79 21.921 13.417 15.762 1.00 30.35 O HETATM 1933 O HOH 80 21.162 12.786 13.171 1.00 28.76 O HETATM 1934 O HOH 81 25.227 -11.496 22.662 1.00 36.13 O HETATM 1935 O HOH 82 31.635 -11.381 13.751 1.00 30.94 O HETATM 1936 O HOH 83 23.659 5.105 1.224 1.00 26.48 O HETATM 1937 O HOH 84 39.012 -0.628 17.189 1.00 30.44 O HETATM 1938 O HOH 85 30.669 -8.225 27.030 1.00 18.23 O HETATM 1939 O HOH 86 28.529 -9.562 25.970 1.00 28.87 O HETATM 1940 O HOH 87 25.311 14.060 12.891 1.00 33.13 O HETATM 1941 O HOH 88 33.886 -2.888 31.306 1.00 18.67 O HETATM 1942 O HOH 89 40.021 -8.264 20.881 1.00 31.72 O HETATM 1943 O HOH 90 27.322 -2.989 31.744 1.00 39.03 O HETATM 1944 O HOH 91 33.823 -9.355 19.107 1.00 24.18 O HETATM 1945 O HOH 92 26.137 14.470 10.354 1.00 45.01 O HETATM 1946 O HOH 93 18.419 1.125 5.259 1.00 31.17 O HETATM 1947 O HOH 94 48.616 -1.592 0.217 1.00 38.20 O HETATM 1948 O HOH 95 43.595 5.253 -3.418 1.00 40.66 O HETATM 1949 O HOH 96 14.014 3.937 10.428 1.00 40.25 O HETATM 1950 O HOH 97 31.368 -9.813 10.588 1.00 30.89 O HETATM 1951 O HOH 98 38.479 3.731 12.665 1.00 44.77 O HETATM 1952 O HOH 99 17.329 -10.001 15.165 1.00 31.12 O HETATM 1953 O HOH 100 35.289 -9.923 6.261 1.00 35.65 O HETATM 1954 O HOH 101 41.639 1.406 20.686 1.00 35.27 O HETATM 1955 O HOH 102 17.037 8.062 10.056 1.00 25.33 O HETATM 1956 O HOH 103 29.123 -3.036 -9.523 1.00 34.52 O HETATM 1957 O HOH 104 37.647 2.467 9.692 1.00 24.20 O HETATM 1958 O HOH 105 36.565 18.613 7.756 1.00 50.21 O HETATM 1959 O HOH 106 25.483 -8.450 -0.780 1.00 38.65 O HETATM 1960 O HOH 107 30.321 -14.956 10.546 1.00 28.46 O HETATM 1961 O HOH 108 40.694 -6.577 22.616 1.00 25.69 O HETATM 1962 O HOH 109 37.505 1.766 -6.691 1.00 39.07 O HETATM 1963 O HOH 110 41.399 -3.829 19.803 1.00 46.18 O HETATM 1964 O HOH 111 29.005 -14.370 17.606 1.00 29.41 O HETATM 1965 O HOH 112 39.338 0.507 -2.864 1.00 27.14 O HETATM 1966 O HOH 113 19.326 5.462 2.104 1.00 25.12 O HETATM 1967 O HOH 114 23.538 -13.865 5.762 1.00 46.44 O HETATM 1968 O HOH 115 28.259 -9.278 -7.211 1.00 25.07 O HETATM 1969 O HOH 116 19.225 -12.130 17.063 1.00 47.18 O HETATM 1970 O HOH 117 42.910 -5.571 15.184 1.00 40.17 O HETATM 1971 O HOH 118 26.632 -9.546 24.529 1.00 37.88 O HETATM 1972 O HOH 119 39.526 -0.441 19.810 1.00 31.19 O HETATM 1973 O HOH 120 41.646 -3.904 11.545 1.00 31.12 O HETATM 1974 O HOH 121 17.780 -2.333 12.403 1.00 29.73 O HETATM 1975 O HOH 122 48.823 -7.090 -7.096 1.00 42.30 O HETATM 1976 O HOH 123 22.910 4.191 30.391 1.00 32.76 O HETATM 1977 O HOH 124 25.781 5.477 30.480 1.00 30.58 O HETATM 1978 O HOH 125 17.236 -2.487 15.254 1.00 27.08 O HETATM 1979 O HOH 126 43.680 -7.273 12.459 1.00 46.28 O HETATM 1980 O HOH 127 14.616 -3.197 14.700 1.00 32.24 O HETATM 1981 O HOH 128 31.586 18.611 17.868 1.00 36.88 O HETATM 1982 O HOH 129 41.312 2.567 -3.604 1.00 40.30 O HETATM 1983 O HOH 130 30.443 7.004 -1.135 1.00 33.43 O HETATM 1984 O HOH 131 50.495 2.383 8.829 1.00 48.13 O HETATM 1985 O HOH 132 47.762 -2.740 14.926 1.00 43.21 O HETATM 1986 O HOH 133 13.973 3.252 7.430 1.00 53.75 O HETATM 1987 O HOH 134 10.873 6.421 8.779 1.00 48.94 O HETATM 1988 O HOH 135 12.515 10.860 9.570 1.00 43.29 O HETATM 1989 O HOH 136 43.465 -6.451 22.563 1.00 45.51 O HETATM 1990 O HOH 137 43.504 -12.849 1.637 1.00 54.04 O HETATM 1991 O HOH 138 44.545 -9.841 4.480 1.00 43.09 O HETATM 1992 O HOH 139 43.260 6.060 19.157 1.00 33.46 O HETATM 1993 O HOH 140 41.078 7.639 18.971 1.00 32.16 O HETATM 1994 O HOH 141 41.719 8.827 8.760 1.00 58.06 O HETATM 1995 O HOH 142 45.582 -3.543 20.171 1.00 52.67 O HETATM 1996 O HOH 143 40.024 1.624 16.279 1.00 36.72 O HETATM 1997 O HOH 144 30.452 -6.216 29.089 1.00 22.56 O HETATM 1998 O HOH 145 18.784 -9.019 21.983 1.00 50.39 O HETATM 1999 O HOH 146 19.903 -12.014 22.037 1.00 42.43 O HETATM 2000 O HOH 147 23.081 12.892 11.006 1.00 36.11 O HETATM 2001 O HOH 148 30.091 -9.731 7.010 1.00 28.51 O HETATM 2002 O HOH 149 46.227 9.673 6.783 1.00 55.82 O HETATM 2003 O HOH 150 34.721 14.842 4.783 1.00 47.96 O HETATM 2004 O HOH 151 31.152 16.380 7.738 1.00 42.09 O HETATM 2005 O HOH 152 19.868 -6.055 -2.733 1.00 43.88 O HETATM 2006 O HOH 153 32.656 -11.468 -3.238 1.00 33.36 O HETATM 2007 O HOH 154 33.248 -13.037 -5.710 1.00 31.30 O HETATM 2008 O HOH 155 44.474 -6.945 5.477 1.00 66.87 O HETATM 2009 O HOH 156 15.586 7.870 7.853 1.00 33.52 O HETATM 2010 O HOH 157 44.243 -9.555 15.387 1.00 54.69 O HETATM 2011 O HOH 158 43.142 -12.053 19.207 1.00 43.48 O HETATM 2012 O HOH 159 39.388 -12.496 17.086 1.00 40.79 O HETATM 2013 O HOH 160 40.386 -8.464 15.556 1.00 51.15 O HETATM 2014 O HOH 161 43.532 -12.580 15.933 1.00 46.81 O HETATM 2015 O HOH 162 44.275 -8.176 24.964 1.00 41.92 O HETATM 2016 O HOH 163 52.308 -6.236 -0.305 1.00 41.07 O HETATM 2017 O HOH 164 21.516 -17.541 5.598 1.00 48.09 O HETATM 2018 O HOH 165 24.214 -19.493 7.802 1.00 34.76 O HETATM 2019 O HOH 166 24.322 -15.256 16.940 1.00 32.22 O HETATM 2020 O HOH 167 22.301 -12.821 23.201 1.00 47.69 O HETATM 2021 O HOH 168 21.742 -13.127 20.299 1.00 45.55 O HETATM 2022 O HOH 169 20.779 -14.647 18.255 1.00 35.46 O HETATM 2023 O HOH 170 20.763 -19.957 17.961 1.00 38.46 O HETATM 2024 O HOH 171 39.499 17.848 15.245 1.00 52.86 O HETATM 2025 O HOH 172 38.764 17.097 12.855 1.00 50.56 O HETATM 2026 O HOH 173 33.432 18.530 6.994 1.00 41.57 O HETATM 2027 O HOH 174 28.443 15.629 16.285 1.00 29.07 O HETATM 2028 O HOH 175 23.760 15.300 7.653 1.00 38.89 O HETATM 2029 O HOH 176 14.217 -1.437 5.876 1.00 41.49 O HETATM 2030 O HOH 177 42.990 -13.204 -6.288 1.00 42.91 O HETATM 2031 O HOH 178 46.658 -12.640 -7.830 1.00 38.66 O HETATM 2032 O HOH 179 22.895 -10.709 4.704 1.00 33.68 O HETATM 2033 O HOH 180 28.239 17.141 20.319 1.00 33.92 O HETATM 2034 N1 U A 5 36.431 -2.022 12.093 1.00 -0.16 N HETATM 2035 C2 U A 5 35.227 -2.209 11.413 1.00 0.33 C HETATM 2036 N3 U A 5 34.561 -3.348 11.583 1.00 -0.19 N HETATM 2037 C4 U A 5 35.003 -4.325 12.404 1.00 0.18 C HETATM 2038 C5 U A 5 36.207 -4.168 13.092 1.00 0.01 C HETATM 2039 C6 U A 5 36.911 -2.982 12.907 1.00 0.06 C HETATM 2040 H3 U A 5 37.857 -2.829 13.424 1.00 0.12 H HETATM 2041 H2 U A 5 36.583 -4.948 13.752 1.00 0.03 H HETATM 2042 O4 U A 5 34.325 -5.369 12.529 1.00 -0.41 O HETATM 2043 H1 U A 5 33.704 -3.485 11.086 1.00 0.23 H HETATM 2044 O2 U A 5 34.783 -1.314 10.675 1.00 -0.38 O HETATM 2045 C1' U A 5 37.141 -0.776 11.860 1.00 0.21 C HETATM 2046 C2' U A 5 36.751 0.297 12.847 1.00 0.14 C HETATM 2047 O2' U A 5 36.601 1.483 12.057 1.00 -0.38 O HETATM 2048 H6 U A 5 37.424 1.682 11.627 1.00 0.21 H HETATM 2049 C3' U A 5 37.964 0.394 13.742 1.00 0.11 C HETATM 2050 C4' U A 5 39.109 0.040 12.808 1.00 0.12 C HETATM 2051 O4' U A 5 38.551 -0.985 11.976 1.00 -0.34 O HETATM 2052 C5' U A 5 40.343 -0.453 13.554 1.00 0.11 C HETATM 2053 O5' U A 5 40.024 -1.743 14.057 1.00 -0.27 O HETATM 2054 P U A 5 41.017 -2.570 15.015 1.00 0.20 P HETATM 2055 O1P U A 5 41.416 -1.595 16.105 1.00 -0.55 O HETATM 2056 O2P U A 5 42.153 -2.999 14.110 1.00 -0.55 O HETATM 2057 O3P U A 5 40.137 -3.716 15.457 1.00 -0.55 O HETATM 2058 H10 U A 5 40.583 0.229 14.383 1.00 0.06 H HETATM 2059 H11 U A 5 41.202 -0.514 12.869 1.00 0.06 H HETATM 2060 H8 U A 5 39.391 0.915 12.203 1.00 0.07 H HETATM 2061 O3' U A 5 38.120 1.679 14.348 1.00 -0.39 O HETATM 2062 H9 U A 5 38.159 2.344 13.671 1.00 0.21 H HETATM 2063 H7 U A 5 37.893 -0.352 14.547 1.00 0.06 H HETATM 2064 H5 U A 5 35.836 0.062 13.411 1.00 0.07 H HETATM 2065 H4 U A 5 36.907 -0.427 10.843 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 2034 2035 2039 2045 CONECT 2035 2034 2036 2044 CONECT 2036 2035 2037 2043 CONECT 2037 2036 2038 2042 CONECT 2038 2037 2039 2041 CONECT 2039 2034 2038 2040 CONECT 2040 2039 CONECT 2041 2038 CONECT 2042 2037 CONECT 2043 2036 CONECT 2044 2035 CONECT 2045 2034 2046 2051 2065 CONECT 2046 2045 2047 2049 2064 CONECT 2047 2046 2048 CONECT 2048 2047 CONECT 2049 2046 2050 2061 2063 CONECT 2050 2049 2051 2052 2060 CONECT 2051 2045 2050 CONECT 2052 2050 2053 2058 2059 CONECT 2053 2052 2054 CONECT 2054 2053 2055 2056 2057 CONECT 2055 2054 CONECT 2056 2054 CONECT 2057 2054 CONECT 2058 2052 CONECT 2059 2052 CONECT 2060 2050 CONECT 2061 2049 2062 CONECT 2062 2061 CONECT 2063 2049 CONECT 2064 2046 CONECT 2065 2045 MASTER 0 0 0 0 0 0 0 0 2064 1 44 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3dxg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1xz8
RCSB PDB
PDBbind
U5P
2j4k
RCSB PDB
PDBbind
U5P
2qaf
RCSB PDB
PDBbind
U5P
2qcd
RCSB PDB
PDBbind
U5P
2qcn
RCSB PDB
PDBbind
U5P
2za3
RCSB PDB
PDBbind
U5P
3bar
RCSB PDB
PDBbind
U5P
3ex3
RCSB PDB
PDBbind
U5P
3ex6
RCSB PDB
PDBbind
U5P
3w07
RCSB PDB
PDBbind
U5P
4g0p
RCSB PDB
PDBbind
U5P
5km3
RCSB PDB
PDBbind
U5P
Entry Information
PDB ID
3dxg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease A (RNase A)
Ligand Name
U5P
EC.Number
E.C.3.1.27.5
Resolution
1.39(Å)
Affinity (Kd/Ki/IC50)
Ki=4.0mM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Acta Crystallogr.,Sect.F 65, pp. 671鈥677
Ligand Properties
Formula
C
9
H
1
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(O)(O)O
InChI String
InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14,16-18,21H,3H2,(H,10,12,15)/t4-,6-,7-,8-/m1/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com