Browse entries in the PDBbind-CN Database
HEADER 1W4O_COMPLEX COMPND 1W4O_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 UA A 3 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 37.211 20.235 8.290 1.00 51.33 N ATOM 2 CA LYS A 1 37.020 19.366 9.488 1.00 50.62 C ATOM 3 C LYS A 1 36.005 18.261 9.219 1.00 48.94 C ATOM 4 O LYS A 1 35.758 17.889 8.069 1.00 49.66 O ATOM 5 CB LYS A 1 36.548 20.202 10.685 1.00 52.03 C ATOM 6 CG LYS A 1 37.594 21.142 11.261 1.00 54.23 C ATOM 7 CD LYS A 1 38.757 20.377 11.885 1.00 55.80 C ATOM 8 CE LYS A 1 39.779 21.329 12.494 1.00 56.73 C ATOM 9 NZ LYS A 1 40.920 20.610 13.130 1.00 57.65 N ATOM 10 HA LYS A 1 37.983 18.908 9.715 1.00 0.00 H ATOM 11 HB2 LYS A 1 35.694 20.800 10.365 1.00 0.00 H ATOM 12 HB3 LYS A 1 36.236 19.518 11.474 1.00 0.00 H ATOM 13 HG2 LYS A 1 37.977 21.777 10.462 1.00 0.00 H ATOM 14 HG3 LYS A 1 37.128 21.763 12.026 1.00 0.00 H ATOM 15 HD2 LYS A 1 38.373 19.720 12.666 1.00 0.00 H ATOM 16 HD3 LYS A 1 39.243 19.778 11.115 1.00 0.00 H ATOM 17 HE2 LYS A 1 39.283 21.937 13.250 1.00 0.00 H ATOM 18 HE3 LYS A 1 40.168 21.975 11.707 1.00 0.00 H ATOM 19 HZ1 LYS A 1 40.561 19.996 13.889 1.00 0.00 H ATOM 20 HZ2 LYS A 1 41.406 20.032 12.415 1.00 0.00 H ATOM 21 HZ3 LYS A 1 41.586 21.303 13.528 1.00 0.00 H ATOM 22 HN3 LYS A 1 36.304 20.675 8.034 1.00 0.00 H ATOM 23 HN2 LYS A 1 37.554 19.658 7.496 1.00 0.00 H ATOM 24 HN1 LYS A 1 37.908 20.976 8.508 1.00 0.00 H ATOM 25 N GLU A 2 35.426 17.753 10.302 1.00 45.46 N ATOM 26 CA GLU A 2 34.425 16.691 10.268 1.00 41.68 C ATOM 27 C GLU A 2 34.249 16.194 11.696 1.00 39.13 C ATOM 28 O GLU A 2 35.224 15.844 12.357 1.00 38.96 O ATOM 29 CB GLU A 2 34.886 15.536 9.372 1.00 40.38 C ATOM 30 CG GLU A 2 33.907 14.370 9.301 1.00 38.83 C ATOM 31 CD GLU A 2 34.358 13.279 8.345 1.00 37.48 C ATOM 32 OE1 GLU A 2 35.480 12.759 8.518 1.00 36.24 O ATOM 33 OE2 GLU A 2 33.589 12.935 7.423 1.00 36.22 O ATOM 34 HA GLU A 2 33.487 17.071 9.862 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.031 15.923 8.363 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.835 15.163 9.757 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.805 13.940 10.297 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.940 14.747 8.968 1.00 0.00 H ATOM 39 H GLU A 2 35.703 18.135 11.229 1.00 0.00 H ATOM 40 N THR A 3 33.010 16.175 12.175 1.00 37.23 N ATOM 41 CA THR A 3 32.732 15.712 13.533 1.00 34.27 C ATOM 42 C THR A 3 32.964 14.211 13.602 1.00 32.12 C ATOM 43 O THR A 3 32.957 13.526 12.577 1.00 30.14 O ATOM 44 CB THR A 3 31.269 15.989 13.948 1.00 35.73 C ATOM 45 OG1 THR A 3 30.382 15.316 13.045 1.00 36.20 O ATOM 46 CG2 THR A 3 30.974 17.486 13.927 1.00 35.76 C ATOM 47 HA THR A 3 33.395 16.252 14.209 1.00 0.00 H ATOM 48 HB THR A 3 31.120 15.619 14.962 1.00 0.00 H ATOM 49 HG1 THR A 3 29.445 15.494 13.311 1.00 0.00 H ATOM 50 HG23 THR A 3 31.648 17.998 14.614 1.00 0.00 H ATOM 51 HG21 THR A 3 31.121 17.870 12.918 1.00 0.00 H ATOM 52 HG22 THR A 3 29.942 17.656 14.235 1.00 0.00 H ATOM 53 H THR A 3 32.224 16.495 11.573 1.00 0.00 H ATOM 54 N ALA A 4 33.175 13.700 14.809 1.00 30.02 N ATOM 55 CA ALA A 4 33.388 12.269 14.982 1.00 27.92 C ATOM 56 C ALA A 4 32.133 11.537 14.522 1.00 25.78 C ATOM 57 O ALA A 4 32.214 10.484 13.902 1.00 26.09 O ATOM 58 CB ALA A 4 33.681 11.950 16.449 1.00 27.11 C ATOM 59 HA ALA A 4 34.244 11.946 14.390 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.577 12.485 16.764 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.836 12.262 17.063 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.838 10.877 16.562 1.00 0.00 H ATOM 63 H ALA A 4 33.188 14.327 15.639 1.00 0.00 H ATOM 64 N ALA A 5 30.972 12.108 14.821 1.00 24.10 N ATOM 65 CA ALA A 5 29.709 11.496 14.435 1.00 23.18 C ATOM 66 C ALA A 5 29.574 11.467 12.914 1.00 23.30 C ATOM 67 O ALA A 5 29.114 10.476 12.339 1.00 21.95 O ATOM 68 CB ALA A 5 28.542 12.264 15.059 1.00 25.05 C ATOM 69 HA ALA A 5 29.690 10.470 14.802 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.634 12.243 16.145 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.561 13.297 14.712 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.602 11.797 14.764 1.00 0.00 H ATOM 73 H ALA A 5 30.965 13.009 15.340 1.00 0.00 H ATOM 74 N ALA A 6 29.982 12.558 12.270 1.00 21.95 N ATOM 75 CA ALA A 6 29.918 12.662 10.813 1.00 22.49 C ATOM 76 C ALA A 6 30.824 11.621 10.174 1.00 21.70 C ATOM 77 O ALA A 6 30.464 10.989 9.176 1.00 20.84 O ATOM 78 CB ALA A 6 30.346 14.061 10.368 1.00 22.97 C ATOM 79 HA ALA A 6 28.891 12.484 10.494 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.679 14.801 10.810 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.368 14.249 10.697 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.294 14.127 9.281 1.00 0.00 H ATOM 83 H ALA A 6 30.357 13.358 12.818 1.00 0.00 H ATOM 84 N LYS A 7 32.008 11.452 10.751 1.00 21.52 N ATOM 85 CA LYS A 7 32.958 10.484 10.233 1.00 22.06 C ATOM 86 C LYS A 7 32.367 9.083 10.331 1.00 21.25 C ATOM 87 O LYS A 7 32.500 8.286 9.408 1.00 20.87 O ATOM 88 CB LYS A 7 34.278 10.568 10.998 1.00 25.14 C ATOM 89 CG LYS A 7 35.328 9.596 10.497 1.00 27.50 C ATOM 90 CD LYS A 7 36.659 9.818 11.183 1.00 30.69 C ATOM 91 CE LYS A 7 37.688 8.808 10.709 1.00 34.01 C ATOM 92 NZ LYS A 7 39.008 9.007 11.374 1.00 35.76 N ATOM 93 HA LYS A 7 33.161 10.709 9.186 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.670 11.580 10.901 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.083 10.354 12.049 1.00 0.00 H ATOM 96 HG2 LYS A 7 34.992 8.578 10.695 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.455 9.733 9.423 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.014 10.823 10.956 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.527 9.715 12.260 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.816 8.914 9.632 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.327 7.804 10.934 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.363 9.961 11.159 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.896 8.901 12.403 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.682 8.297 11.023 1.00 0.00 H ATOM 105 H LYS A 7 32.258 12.021 11.585 1.00 0.00 H ATOM 106 N PHE A 8 31.703 8.779 11.444 1.00 19.62 N ATOM 107 CA PHE A 8 31.086 7.463 11.598 1.00 18.26 C ATOM 108 C PHE A 8 30.077 7.235 10.474 1.00 19.12 C ATOM 109 O PHE A 8 30.027 6.159 9.888 1.00 19.17 O ATOM 110 CB PHE A 8 30.395 7.345 12.970 1.00 18.31 C ATOM 111 CG PHE A 8 29.611 6.078 13.145 1.00 16.57 C ATOM 112 CD1 PHE A 8 28.298 5.986 12.692 1.00 16.35 C ATOM 113 CD2 PHE A 8 30.205 4.953 13.719 1.00 17.14 C ATOM 114 CE1 PHE A 8 27.584 4.791 12.802 1.00 13.79 C ATOM 115 CE2 PHE A 8 29.504 3.751 13.835 1.00 14.09 C ATOM 116 CZ PHE A 8 28.191 3.669 13.375 1.00 17.29 C ATOM 117 HA PHE A 8 31.863 6.700 11.542 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.160 7.386 13.745 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.715 8.189 13.087 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.231 5.014 14.082 1.00 0.00 H ATOM 121 HE2 PHE A 8 29.982 2.880 14.284 1.00 0.00 H ATOM 122 HZ PHE A 8 27.639 2.733 13.462 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.557 4.733 12.442 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.821 6.858 12.245 1.00 0.00 H ATOM 125 H PHE A 8 31.623 9.481 12.207 1.00 0.00 H ATOM 126 N GLU A 9 29.274 8.251 10.170 1.00 19.94 N ATOM 127 CA GLU A 9 28.291 8.118 9.101 1.00 19.76 C ATOM 128 C GLU A 9 28.981 7.894 7.756 1.00 19.38 C ATOM 129 O GLU A 9 28.565 7.038 6.977 1.00 19.19 O ATOM 130 CB GLU A 9 27.400 9.360 9.039 1.00 23.27 C ATOM 131 CG GLU A 9 26.412 9.451 10.194 1.00 26.42 C ATOM 132 CD GLU A 9 25.535 10.684 10.130 1.00 29.95 C ATOM 133 OE1 GLU A 9 25.010 10.994 9.035 1.00 30.67 O ATOM 134 OE2 GLU A 9 25.359 11.336 11.179 1.00 30.52 O ATOM 135 HA GLU A 9 27.668 7.250 9.316 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.037 10.244 9.058 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.839 9.337 8.105 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.772 8.569 10.174 1.00 0.00 H ATOM 139 HG3 GLU A 9 26.972 9.471 11.129 1.00 0.00 H ATOM 140 H GLU A 9 29.348 9.144 10.697 1.00 0.00 H ATOM 141 N ARG A 10 30.046 8.648 7.503 1.00 20.54 N ATOM 142 CA ARG A 10 30.786 8.534 6.244 1.00 22.72 C ATOM 143 C ARG A 10 31.484 7.189 6.101 1.00 22.33 C ATOM 144 O ARG A 10 31.548 6.623 5.014 1.00 23.45 O ATOM 145 CB ARG A 10 31.828 9.651 6.137 1.00 23.76 C ATOM 146 CG ARG A 10 32.746 9.527 4.924 1.00 25.79 C ATOM 147 CD ARG A 10 33.642 10.753 4.757 1.00 26.57 C ATOM 148 NE ARG A 10 34.625 10.910 5.828 1.00 27.19 N ATOM 149 CZ ARG A 10 35.748 10.205 5.929 1.00 28.65 C ATOM 150 NH1 ARG A 10 36.043 9.283 5.024 1.00 28.89 N ATOM 151 NH2 ARG A 10 36.583 10.431 6.935 1.00 30.61 N ATOM 152 HA ARG A 10 30.054 8.622 5.441 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.304 10.605 6.075 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.443 9.634 7.037 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.375 8.645 5.047 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.134 9.413 4.029 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.011 11.641 4.735 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.175 10.664 3.810 1.00 0.00 H ATOM 159 HE ARG A 10 34.433 11.622 6.561 1.00 0.00 H ATOM 160 HH12 ARG A 10 36.923 8.735 5.108 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.395 9.108 4.230 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.462 9.880 7.015 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.359 11.159 7.643 1.00 0.00 H ATOM 164 H ARG A 10 30.362 9.336 8.216 1.00 0.00 H ATOM 165 N GLN A 11 32.020 6.686 7.204 1.00 21.49 N ATOM 166 CA GLN A 11 32.727 5.413 7.185 1.00 21.89 C ATOM 167 C GLN A 11 31.868 4.168 7.340 1.00 20.89 C ATOM 168 O GLN A 11 32.211 3.113 6.812 1.00 19.82 O ATOM 169 CB GLN A 11 33.771 5.376 8.303 1.00 24.27 C ATOM 170 CG GLN A 11 34.991 6.221 8.087 1.00 26.41 C ATOM 171 CD GLN A 11 36.011 6.005 9.182 1.00 29.02 C ATOM 172 OE1 GLN A 11 37.216 5.991 8.934 1.00 32.23 O ATOM 173 NE2 GLN A 11 35.532 5.842 10.409 1.00 28.01 N ATOM 174 HA GLN A 11 33.162 5.376 6.186 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.290 5.712 9.221 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.097 4.343 8.422 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.439 5.960 7.128 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.698 7.271 8.076 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.505 5.861 10.573 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.183 5.695 11.206 1.00 0.00 H ATOM 181 H GLN A 11 31.934 7.210 8.099 1.00 0.00 H ATOM 182 N HIS A 12 30.746 4.284 8.045 1.00 19.04 N ATOM 183 CA HIS A 12 29.941 3.071 8.337 1.00 17.73 C ATOM 184 C HIS A 12 28.463 3.035 7.979 1.00 18.17 C ATOM 185 O HIS A 12 27.833 2.000 8.194 1.00 19.46 O ATOM 186 CB HIS A 12 30.052 2.798 9.828 1.00 16.53 C ATOM 187 CG HIS A 12 31.502 2.681 10.277 1.00 16.14 C ATOM 188 ND1 HIS A 12 32.348 1.698 9.810 1.00 16.93 N ATOM 189 CD2 HIS A 12 32.222 3.409 11.162 1.00 16.28 C ATOM 190 CE1 HIS A 12 33.526 1.822 10.396 1.00 18.25 C ATOM 191 NE2 HIS A 12 33.474 2.853 11.220 1.00 14.14 N ATOM 192 HA HIS A 12 30.374 2.326 7.670 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.579 3.615 10.372 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.536 1.865 10.055 1.00 0.00 H ATOM 195 HD2 HIS A 12 31.872 4.275 11.724 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.393 1.183 10.228 1.00 0.00 H ATOM 197 H HIS A 12 30.436 5.215 8.388 1.00 0.00 H ATOM 198 N MET A 13 27.893 4.109 7.454 1.00 19.69 N ATOM 199 CA MET A 13 26.478 4.075 7.109 1.00 20.99 C ATOM 200 C MET A 13 26.204 3.957 5.613 1.00 22.39 C ATOM 201 O MET A 13 26.864 4.595 4.796 1.00 24.40 O ATOM 202 CB MET A 13 25.766 5.324 7.642 1.00 21.42 C ATOM 203 CG MET A 13 25.649 5.412 9.170 1.00 21.89 C ATOM 204 SD MET A 13 24.688 4.066 9.895 1.00 23.19 S ATOM 205 CE MET A 13 23.072 4.359 9.161 1.00 23.77 C ATOM 206 HA MET A 13 26.089 3.172 7.580 1.00 0.00 H ATOM 207 HB2 MET A 13 26.316 6.199 7.295 1.00 0.00 H ATOM 208 HB3 MET A 13 24.759 5.341 7.226 1.00 0.00 H ATOM 209 HG2 MET A 13 25.169 6.356 9.426 1.00 0.00 H ATOM 210 HG3 MET A 13 26.652 5.389 9.595 1.00 0.00 H ATOM 211 HE1 MET A 13 22.718 5.349 9.448 1.00 0.00 H ATOM 212 HE2 MET A 13 23.151 4.301 8.075 1.00 0.00 H ATOM 213 HE3 MET A 13 22.371 3.604 9.516 1.00 0.00 H ATOM 214 H MET A 13 28.452 4.971 7.289 1.00 0.00 H ATOM 215 N ASP A 14 25.227 3.126 5.271 1.00 23.19 N ATOM 216 CA ASP A 14 24.804 2.942 3.881 1.00 22.91 C ATOM 217 C ASP A 14 23.383 2.409 3.873 1.00 23.04 C ATOM 218 O ASP A 14 23.144 1.229 3.610 1.00 23.37 O ATOM 219 CB ASP A 14 25.713 1.976 3.125 1.00 23.86 C ATOM 220 CG ASP A 14 25.255 1.772 1.685 1.00 26.23 C ATOM 221 OD1 ASP A 14 24.512 2.642 1.195 1.00 26.90 O ATOM 222 OD2 ASP A 14 25.631 0.765 1.049 1.00 28.04 O ATOM 223 HA ASP A 14 24.863 3.907 3.377 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.726 2.377 3.119 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.708 1.013 3.636 1.00 0.00 H ATOM 226 H ASP A 14 24.744 2.586 6.017 1.00 0.00 H ATOM 227 N SER A 15 22.441 3.297 4.160 1.00 25.14 N ATOM 228 CA SER A 15 21.030 2.943 4.208 1.00 27.93 C ATOM 229 C SER A 15 20.396 2.764 2.828 1.00 30.28 C ATOM 230 O SER A 15 19.238 2.365 2.729 1.00 31.27 O ATOM 231 CB SER A 15 20.260 4.027 4.968 1.00 29.01 C ATOM 232 OG SER A 15 20.900 4.351 6.191 1.00 29.58 O ATOM 233 HA SER A 15 20.970 1.980 4.715 1.00 0.00 H ATOM 234 HB2 SER A 15 19.253 3.667 5.178 1.00 0.00 H ATOM 235 HB3 SER A 15 20.202 4.922 4.349 1.00 0.00 H ATOM 236 HG SER A 15 20.951 3.542 6.760 1.00 0.00 H ATOM 237 H SER A 15 22.720 4.279 4.357 1.00 0.00 H ATOM 238 N SER A 16 21.146 3.049 1.767 1.00 32.02 N ATOM 239 CA SER A 16 20.606 2.936 0.408 1.00 35.62 C ATOM 240 C SER A 16 20.287 1.523 -0.071 1.00 37.41 C ATOM 241 O SER A 16 19.269 1.303 -0.731 1.00 39.05 O ATOM 242 CB SER A 16 21.550 3.596 -0.596 1.00 35.45 C ATOM 243 OG SER A 16 21.605 4.993 -0.388 1.00 36.16 O ATOM 244 HA SER A 16 19.647 3.451 0.463 1.00 0.00 H ATOM 245 HB2 SER A 16 21.193 3.398 -1.607 1.00 0.00 H ATOM 246 HB3 SER A 16 22.549 3.177 -0.477 1.00 0.00 H ATOM 247 HG SER A 16 22.221 5.400 -1.048 1.00 0.00 H ATOM 248 H SER A 16 22.130 3.357 1.903 1.00 0.00 H ATOM 249 N THR A 17 21.158 0.572 0.240 1.00 39.02 N ATOM 250 CA THR A 17 20.937 -0.809 -0.172 1.00 40.20 C ATOM 251 C THR A 17 20.599 -1.699 1.022 1.00 40.47 C ATOM 252 O THR A 17 21.081 -1.478 2.132 1.00 39.72 O ATOM 253 CB THR A 17 22.173 -1.380 -0.900 1.00 41.07 C ATOM 254 OG1 THR A 17 23.317 -1.305 -0.041 1.00 41.50 O ATOM 255 CG2 THR A 17 22.446 -0.590 -2.173 1.00 42.57 C ATOM 256 HA THR A 17 20.091 -0.803 -0.859 1.00 0.00 H ATOM 257 HB THR A 17 21.977 -2.420 -1.160 1.00 0.00 H ATOM 258 HG1 THR A 17 23.485 -0.360 0.201 1.00 0.00 H ATOM 259 HG23 THR A 17 21.576 -0.646 -2.828 1.00 0.00 H ATOM 260 HG21 THR A 17 22.643 0.451 -1.918 1.00 0.00 H ATOM 261 HG22 THR A 17 23.313 -1.011 -2.682 1.00 0.00 H ATOM 262 H THR A 17 22.010 0.815 0.785 1.00 0.00 H ATOM 263 N SER A 18 19.758 -2.699 0.785 1.00 39.98 N ATOM 264 CA SER A 18 19.348 -3.623 1.836 1.00 40.40 C ATOM 265 C SER A 18 20.486 -4.580 2.162 1.00 40.90 C ATOM 266 O SER A 18 20.590 -5.083 3.280 1.00 39.80 O ATOM 267 CB SER A 18 18.119 -4.419 1.386 1.00 40.70 C ATOM 268 OG SER A 18 18.421 -5.232 0.263 1.00 42.36 O ATOM 269 HA SER A 18 19.096 -3.049 2.728 1.00 0.00 H ATOM 270 HB2 SER A 18 17.322 -3.724 1.119 1.00 0.00 H ATOM 271 HB3 SER A 18 17.786 -5.054 2.207 1.00 0.00 H ATOM 272 HG SER A 18 17.612 -5.734 -0.007 1.00 0.00 H ATOM 273 H SER A 18 19.382 -2.827 -0.176 1.00 0.00 H ATOM 274 N ALA A 19 21.336 -4.828 1.171 1.00 41.94 N ATOM 275 CA ALA A 19 22.473 -5.725 1.335 1.00 43.36 C ATOM 276 C ALA A 19 23.454 -5.533 0.188 1.00 44.76 C ATOM 277 O ALA A 19 23.064 -5.170 -0.924 1.00 44.95 O ATOM 278 CB ALA A 19 21.995 -7.175 1.376 1.00 43.20 C ATOM 279 HA ALA A 19 22.975 -5.493 2.274 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.310 -7.307 2.214 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.482 -7.413 0.445 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.853 -7.836 1.499 1.00 0.00 H ATOM 283 H ALA A 19 21.185 -4.368 0.250 1.00 0.00 H ATOM 284 N ALA A 20 24.731 -5.777 0.463 1.00 45.63 N ATOM 285 CA ALA A 20 25.757 -5.628 -0.552 1.00 47.18 C ATOM 286 C ALA A 20 25.625 -6.720 -1.599 1.00 48.27 C ATOM 287 O ALA A 20 25.954 -7.881 -1.350 1.00 48.52 O ATOM 288 CB ALA A 20 27.134 -5.681 0.083 1.00 46.67 C ATOM 289 HA ALA A 20 25.629 -4.660 -1.036 1.00 0.00 H ATOM 290 HB1 ALA A 20 27.229 -4.873 0.809 1.00 0.00 H ATOM 291 HB2 ALA A 20 27.265 -6.640 0.585 1.00 0.00 H ATOM 292 HB3 ALA A 20 27.894 -5.568 -0.690 1.00 0.00 H ATOM 293 H ALA A 20 24.999 -6.080 1.421 1.00 0.00 H ATOM 294 N SER A 21 25.122 -6.346 -2.768 1.00 49.21 N ATOM 295 CA SER A 21 24.969 -7.293 -3.859 1.00 49.89 C ATOM 296 C SER A 21 26.160 -7.106 -4.791 1.00 50.18 C ATOM 297 O SER A 21 26.581 -5.978 -5.048 1.00 50.70 O ATOM 298 CB SER A 21 23.666 -7.034 -4.616 1.00 50.14 C ATOM 299 OG SER A 21 23.524 -7.938 -5.696 1.00 51.40 O ATOM 300 HA SER A 21 24.932 -8.312 -3.475 1.00 0.00 H ATOM 301 HB2 SER A 21 23.673 -6.014 -5.001 1.00 0.00 H ATOM 302 HB3 SER A 21 22.825 -7.157 -3.933 1.00 0.00 H ATOM 303 HG SER A 21 22.675 -7.752 -6.171 1.00 0.00 H ATOM 304 H SER A 21 24.832 -5.357 -2.906 1.00 0.00 H ATOM 305 N SER A 22 26.703 -8.217 -5.278 1.00 49.65 N ATOM 306 CA SER A 22 27.852 -8.208 -6.180 1.00 48.53 C ATOM 307 C SER A 22 29.149 -7.955 -5.416 1.00 46.73 C ATOM 308 O SER A 22 29.247 -7.029 -4.608 1.00 47.26 O ATOM 309 CB SER A 22 27.661 -7.154 -7.273 1.00 49.24 C ATOM 310 OG SER A 22 26.427 -7.353 -7.947 1.00 49.51 O ATOM 311 HA SER A 22 27.923 -9.190 -6.647 1.00 0.00 H ATOM 312 HB2 SER A 22 28.478 -7.229 -7.991 1.00 0.00 H ATOM 313 HB3 SER A 22 27.667 -6.162 -6.820 1.00 0.00 H ATOM 314 HG SER A 22 26.321 -6.663 -8.649 1.00 0.00 H ATOM 315 H SER A 22 26.292 -9.133 -5.005 1.00 0.00 H ATOM 316 N SER A 23 30.141 -8.796 -5.690 1.00 44.58 N ATOM 317 CA SER A 23 31.448 -8.738 -5.043 1.00 41.64 C ATOM 318 C SER A 23 32.261 -7.463 -5.256 1.00 39.81 C ATOM 319 O SER A 23 33.369 -7.345 -4.732 1.00 38.96 O ATOM 320 CB SER A 23 32.284 -9.936 -5.492 1.00 41.93 C ATOM 321 OG SER A 23 32.369 -9.984 -6.907 1.00 42.84 O ATOM 322 HA SER A 23 31.224 -8.752 -3.976 1.00 0.00 H ATOM 323 HB2 SER A 23 31.820 -10.853 -5.130 1.00 0.00 H ATOM 324 HB3 SER A 23 33.287 -9.849 -5.075 1.00 0.00 H ATOM 325 HG SER A 23 32.913 -10.765 -7.177 1.00 0.00 H ATOM 326 H SER A 23 29.977 -9.535 -6.403 1.00 0.00 H ATOM 327 N ASN A 24 31.728 -6.509 -6.009 1.00 37.65 N ATOM 328 CA ASN A 24 32.459 -5.271 -6.266 1.00 36.90 C ATOM 329 C ASN A 24 32.046 -4.107 -5.362 1.00 35.95 C ATOM 330 O ASN A 24 32.597 -3.004 -5.463 1.00 34.12 O ATOM 331 CB ASN A 24 32.294 -4.875 -7.734 1.00 38.15 C ATOM 332 CG ASN A 24 30.844 -4.688 -8.127 1.00 39.72 C ATOM 333 OD1 ASN A 24 29.930 -5.076 -7.393 1.00 38.34 O ATOM 334 ND2 ASN A 24 30.623 -4.100 -9.299 1.00 39.93 N ATOM 335 HA ASN A 24 33.505 -5.476 -6.036 1.00 0.00 H ATOM 336 HB2 ASN A 24 32.826 -3.939 -7.905 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.727 -5.657 -8.358 1.00 0.00 H ATOM 338 HD22 ASN A 24 31.425 -3.789 -9.884 1.00 0.00 H ATOM 339 HD21 ASN A 24 29.649 -3.951 -9.630 1.00 0.00 H ATOM 340 H ASN A 24 30.782 -6.644 -6.419 1.00 0.00 H ATOM 341 N TYR A 25 31.089 -4.362 -4.473 1.00 33.54 N ATOM 342 CA TYR A 25 30.586 -3.345 -3.548 1.00 32.03 C ATOM 343 C TYR A 25 31.681 -2.584 -2.799 1.00 30.85 C ATOM 344 O TYR A 25 31.736 -1.357 -2.841 1.00 31.16 O ATOM 345 CB TYR A 25 29.643 -3.998 -2.529 1.00 31.61 C ATOM 346 CG TYR A 25 29.116 -3.059 -1.463 1.00 29.59 C ATOM 347 CD1 TYR A 25 28.069 -2.179 -1.734 1.00 29.32 C ATOM 348 CD2 TYR A 25 29.667 -3.055 -0.179 1.00 29.22 C ATOM 349 CE1 TYR A 25 27.578 -1.317 -0.753 1.00 29.25 C ATOM 350 CE2 TYR A 25 29.188 -2.198 0.811 1.00 27.98 C ATOM 351 CZ TYR A 25 28.147 -1.332 0.520 1.00 28.91 C ATOM 352 OH TYR A 25 27.685 -0.471 1.486 1.00 30.16 O ATOM 353 HA TYR A 25 30.063 -2.612 -4.162 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.183 -4.805 -2.034 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.791 -4.411 -3.070 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.487 -3.735 0.053 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.630 -2.209 1.807 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.756 -0.637 -0.980 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.626 -2.164 -2.730 1.00 0.00 H ATOM 360 HH TYR A 25 26.945 0.073 1.115 1.00 0.00 H ATOM 361 H TYR A 25 30.684 -5.319 -4.434 1.00 0.00 H ATOM 362 N CYS A 26 32.552 -3.317 -2.119 1.00 29.95 N ATOM 363 CA CYS A 26 33.619 -2.711 -1.337 1.00 29.88 C ATOM 364 C CYS A 26 34.657 -1.914 -2.119 1.00 30.79 C ATOM 365 O CYS A 26 35.069 -0.835 -1.686 1.00 29.19 O ATOM 366 CB CYS A 26 34.316 -3.783 -0.510 1.00 28.14 C ATOM 367 SG CYS A 26 33.307 -4.441 0.858 1.00 27.75 S ATOM 368 HA CYS A 26 33.118 -1.973 -0.710 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.225 -3.354 -0.089 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.578 -4.609 -1.171 1.00 0.00 H ATOM 371 H CYS A 26 32.470 -4.353 -2.145 1.00 0.00 H ATOM 372 N ASN A 27 35.096 -2.439 -3.256 1.00 30.57 N ATOM 373 CA ASN A 27 36.085 -1.720 -4.050 1.00 32.19 C ATOM 374 C ASN A 27 35.569 -0.325 -4.368 1.00 31.96 C ATOM 375 O ASN A 27 36.304 0.660 -4.282 1.00 32.12 O ATOM 376 CB ASN A 27 36.385 -2.465 -5.358 1.00 32.20 C ATOM 377 CG ASN A 27 37.113 -3.773 -5.130 1.00 33.65 C ATOM 378 OD1 ASN A 27 37.905 -3.900 -4.194 1.00 33.04 O ATOM 379 ND2 ASN A 27 36.863 -4.751 -5.996 1.00 34.63 N ATOM 380 HA ASN A 27 37.006 -1.651 -3.471 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.443 -2.673 -5.865 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.003 -1.827 -5.990 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.186 -4.599 -6.771 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.344 -5.668 -5.898 1.00 0.00 H ATOM 385 H ASN A 27 34.736 -3.360 -3.579 1.00 0.00 H ATOM 386 N GLN A 28 34.292 -0.250 -4.721 1.00 32.67 N ATOM 387 CA GLN A 28 33.659 1.012 -5.072 1.00 33.48 C ATOM 388 C GLN A 28 33.321 1.879 -3.862 1.00 33.16 C ATOM 389 O GLN A 28 33.648 3.065 -3.836 1.00 32.33 O ATOM 390 CB GLN A 28 32.399 0.737 -5.897 1.00 35.26 C ATOM 391 CG GLN A 28 32.667 -0.106 -7.143 1.00 38.59 C ATOM 392 CD GLN A 28 31.420 -0.371 -7.965 1.00 40.46 C ATOM 393 OE1 GLN A 28 30.434 -0.912 -7.465 1.00 42.22 O ATOM 394 NE2 GLN A 28 31.461 0.004 -9.240 1.00 41.35 N ATOM 395 HA GLN A 28 34.381 1.580 -5.659 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.682 0.209 -5.269 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.974 1.691 -6.209 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.389 0.419 -7.768 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.086 -1.063 -6.831 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.315 0.458 -9.621 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.639 -0.157 -9.856 1.00 0.00 H ATOM 402 H GLN A 28 33.725 -1.122 -4.748 1.00 0.00 H ATOM 403 N MET A 29 32.684 1.284 -2.857 1.00 32.22 N ATOM 404 CA MET A 29 32.296 2.022 -1.656 1.00 32.21 C ATOM 405 C MET A 29 33.466 2.566 -0.843 1.00 30.45 C ATOM 406 O MET A 29 33.418 3.698 -0.371 1.00 30.41 O ATOM 407 CB MET A 29 31.413 1.149 -0.759 1.00 33.30 C ATOM 408 CG MET A 29 29.972 1.026 -1.229 1.00 35.03 C ATOM 409 SD MET A 29 29.082 2.599 -1.152 1.00 39.99 S ATOM 410 CE MET A 29 28.876 2.768 0.643 1.00 36.47 C ATOM 411 HA MET A 29 31.744 2.891 -2.016 1.00 0.00 H ATOM 412 HB2 MET A 29 31.847 0.150 -0.721 1.00 0.00 H ATOM 413 HB3 MET A 29 31.410 1.581 0.242 1.00 0.00 H ATOM 414 HG2 MET A 29 29.458 0.302 -0.597 1.00 0.00 H ATOM 415 HG3 MET A 29 29.969 0.672 -2.260 1.00 0.00 H ATOM 416 HE1 MET A 29 28.307 1.920 1.024 1.00 0.00 H ATOM 417 HE2 MET A 29 29.856 2.792 1.119 1.00 0.00 H ATOM 418 HE3 MET A 29 28.342 3.693 0.861 1.00 0.00 H ATOM 419 H MET A 29 32.457 0.272 -2.927 1.00 0.00 H ATOM 420 N MET A 30 34.513 1.765 -0.670 1.00 28.95 N ATOM 421 CA MET A 30 35.671 2.213 0.094 1.00 29.17 C ATOM 422 C MET A 30 36.318 3.435 -0.553 1.00 30.82 C ATOM 423 O MET A 30 36.727 4.368 0.136 1.00 29.66 O ATOM 424 CB MET A 30 36.699 1.087 0.224 1.00 27.53 C ATOM 425 CG MET A 30 36.253 -0.066 1.109 1.00 25.37 C ATOM 426 SD MET A 30 36.069 0.423 2.846 1.00 24.10 S ATOM 427 CE MET A 30 37.764 0.352 3.398 1.00 24.06 C ATOM 428 HA MET A 30 35.324 2.493 1.089 1.00 0.00 H ATOM 429 HB2 MET A 30 36.904 0.694 -0.772 1.00 0.00 H ATOM 430 HB3 MET A 30 37.614 1.506 0.643 1.00 0.00 H ATOM 431 HG2 MET A 30 36.995 -0.862 1.046 1.00 0.00 H ATOM 432 HG3 MET A 30 35.294 -0.435 0.746 1.00 0.00 H ATOM 433 HE1 MET A 30 38.145 -0.661 3.268 1.00 0.00 H ATOM 434 HE2 MET A 30 38.365 1.046 2.811 1.00 0.00 H ATOM 435 HE3 MET A 30 37.814 0.628 4.451 1.00 0.00 H ATOM 436 H MET A 30 34.506 0.811 -1.083 1.00 0.00 H ATOM 437 N LYS A 31 36.420 3.426 -1.878 1.00 31.48 N ATOM 438 CA LYS A 31 37.012 4.555 -2.586 1.00 33.53 C ATOM 439 C LYS A 31 36.049 5.739 -2.518 1.00 33.18 C ATOM 440 O LYS A 31 36.453 6.868 -2.243 1.00 33.07 O ATOM 441 CB LYS A 31 37.285 4.183 -4.048 1.00 35.42 C ATOM 442 CG LYS A 31 37.975 5.280 -4.847 1.00 39.43 C ATOM 443 CD LYS A 31 38.415 4.783 -6.216 1.00 41.41 C ATOM 444 CE LYS A 31 39.138 5.876 -6.993 1.00 43.66 C ATOM 445 NZ LYS A 31 39.684 5.381 -8.293 1.00 45.00 N ATOM 446 HA LYS A 31 37.960 4.822 -2.118 1.00 0.00 H ATOM 447 HB2 LYS A 31 37.919 3.296 -4.064 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.333 3.956 -4.528 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.283 6.112 -4.978 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.851 5.622 -4.296 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.087 3.934 -6.087 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.537 4.468 -6.779 1.00 0.00 H ATOM 453 HE2 LYS A 31 39.962 6.251 -6.386 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.437 6.687 -7.193 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.360 4.612 -8.113 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.904 5.028 -8.883 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.166 6.160 -8.784 1.00 0.00 H ATOM 458 H LYS A 31 36.074 2.606 -2.415 1.00 0.00 H ATOM 459 N SER A 32 34.771 5.456 -2.751 1.00 33.11 N ATOM 460 CA SER A 32 33.720 6.466 -2.733 1.00 34.43 C ATOM 461 C SER A 32 33.673 7.267 -1.428 1.00 35.08 C ATOM 462 O SER A 32 33.469 8.482 -1.446 1.00 35.31 O ATOM 463 CB SER A 32 32.366 5.792 -2.976 1.00 35.56 C ATOM 464 OG SER A 32 31.332 6.746 -3.126 1.00 39.01 O ATOM 465 HA SER A 32 33.946 7.178 -3.527 1.00 0.00 H ATOM 466 HB2 SER A 32 32.134 5.147 -2.128 1.00 0.00 H ATOM 467 HB3 SER A 32 32.427 5.190 -3.883 1.00 0.00 H ATOM 468 HG SER A 32 30.473 6.279 -3.281 1.00 0.00 H ATOM 469 H SER A 32 34.510 4.470 -2.955 1.00 0.00 H ATOM 470 N ARG A 33 33.863 6.591 -0.299 1.00 34.02 N ATOM 471 CA ARG A 33 33.830 7.256 1.003 1.00 33.45 C ATOM 472 C ARG A 33 35.196 7.777 1.443 1.00 34.56 C ATOM 473 O ARG A 33 35.406 8.090 2.620 1.00 33.48 O ATOM 474 CB ARG A 33 33.273 6.307 2.069 1.00 32.41 C ATOM 475 CG ARG A 33 31.827 5.886 1.833 1.00 30.58 C ATOM 476 CD ARG A 33 30.896 7.089 1.745 1.00 29.27 C ATOM 477 NE ARG A 33 29.505 6.686 1.553 1.00 28.79 N ATOM 478 CZ ARG A 33 28.716 6.224 2.521 1.00 29.50 C ATOM 479 NH1 ARG A 33 29.175 6.111 3.760 1.00 28.68 N ATOM 480 NH2 ARG A 33 27.471 5.864 2.245 1.00 30.43 N ATOM 481 HA ARG A 33 33.176 8.121 0.892 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.892 5.410 2.087 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.331 6.806 3.036 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.770 5.326 0.900 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.505 5.250 2.657 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.202 7.712 0.905 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.973 7.663 2.668 1.00 0.00 H ATOM 488 HE ARG A 33 29.104 6.765 0.597 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.555 5.750 4.513 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.155 6.384 3.979 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.854 5.503 3.001 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.110 5.942 1.273 1.00 0.00 H ATOM 493 H ARG A 33 34.039 5.567 -0.343 1.00 0.00 H ATOM 494 N ASN A 34 36.118 7.862 0.488 1.00 35.14 N ATOM 495 CA ASN A 34 37.470 8.350 0.736 1.00 36.94 C ATOM 496 C ASN A 34 38.225 7.579 1.806 1.00 36.34 C ATOM 497 O ASN A 34 38.955 8.163 2.606 1.00 35.65 O ATOM 498 CB ASN A 34 37.430 9.840 1.093 1.00 39.45 C ATOM 499 CG ASN A 34 37.197 10.720 -0.121 1.00 42.77 C ATOM 500 OD1 ASN A 34 38.028 10.768 -1.032 1.00 44.21 O ATOM 501 ND2 ASN A 34 36.064 11.414 -0.146 1.00 43.77 N ATOM 502 HA ASN A 34 38.021 8.193 -0.191 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.624 10.008 1.807 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.381 10.117 1.549 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.393 11.342 0.645 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.849 12.029 -0.957 1.00 0.00 H ATOM 507 H ASN A 34 35.864 7.568 -0.477 1.00 0.00 H ATOM 508 N LEU A 35 38.063 6.261 1.806 1.00 36.70 N ATOM 509 CA LEU A 35 38.736 5.413 2.783 1.00 37.09 C ATOM 510 C LEU A 35 40.005 4.788 2.213 1.00 37.54 C ATOM 511 O LEU A 35 40.619 3.931 2.845 1.00 37.08 O ATOM 512 CB LEU A 35 37.792 4.307 3.263 1.00 35.91 C ATOM 513 CG LEU A 35 36.494 4.775 3.919 1.00 35.58 C ATOM 514 CD1 LEU A 35 35.745 3.574 4.479 1.00 34.80 C ATOM 515 CD2 LEU A 35 36.815 5.770 5.023 1.00 35.94 C ATOM 516 HA LEU A 35 39.019 6.047 3.623 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.529 3.695 2.400 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.332 3.698 3.988 1.00 0.00 H ATOM 519 HG LEU A 35 35.861 5.266 3.179 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.448 5.291 5.770 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.338 6.627 4.598 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.889 6.103 5.491 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.514 2.882 3.669 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.367 3.073 5.221 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.819 3.910 4.946 1.00 0.00 H ATOM 526 H LEU A 35 37.443 5.824 1.094 1.00 0.00 H ATOM 527 N THR A 36 40.396 5.221 1.021 1.00 39.46 N ATOM 528 CA THR A 36 41.595 4.689 0.384 1.00 40.51 C ATOM 529 C THR A 36 42.458 5.787 -0.225 1.00 42.20 C ATOM 530 O THR A 36 43.328 5.509 -1.048 1.00 42.33 O ATOM 531 CB THR A 36 41.242 3.697 -0.739 1.00 40.07 C ATOM 532 OG1 THR A 36 40.570 4.393 -1.796 1.00 38.26 O ATOM 533 CG2 THR A 36 40.340 2.592 -0.210 1.00 40.57 C ATOM 534 HA THR A 36 42.150 4.185 1.175 1.00 0.00 H ATOM 535 HB THR A 36 42.163 3.250 -1.115 1.00 0.00 H ATOM 536 HG1 THR A 36 41.164 5.100 -2.154 1.00 0.00 H ATOM 537 HG23 THR A 36 40.850 2.062 0.594 1.00 0.00 H ATOM 538 HG21 THR A 36 39.417 3.029 0.170 1.00 0.00 H ATOM 539 HG22 THR A 36 40.109 1.896 -1.016 1.00 0.00 H ATOM 540 H THR A 36 39.839 5.951 0.534 1.00 0.00 H ATOM 541 N LYS A 37 42.232 7.031 0.182 1.00 43.82 N ATOM 542 CA LYS A 37 43.003 8.132 -0.379 1.00 44.98 C ATOM 543 C LYS A 37 44.398 8.324 0.208 1.00 44.70 C ATOM 544 O LYS A 37 45.330 8.651 -0.523 1.00 44.85 O ATOM 545 CB LYS A 37 42.201 9.433 -0.300 1.00 46.14 C ATOM 546 CG LYS A 37 41.878 10.001 -1.683 1.00 48.32 C ATOM 547 CD LYS A 37 41.203 8.949 -2.562 1.00 49.04 C ATOM 548 CE LYS A 37 41.286 9.294 -4.044 1.00 49.91 C ATOM 549 NZ LYS A 37 40.537 10.528 -4.403 1.00 50.56 N ATOM 550 HA LYS A 37 43.179 7.854 -1.418 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.267 9.238 0.226 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.782 10.170 0.255 1.00 0.00 H ATOM 553 HG2 LYS A 37 41.210 10.855 -1.571 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.803 10.325 -2.161 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.691 7.989 -2.397 1.00 0.00 H ATOM 556 HD3 LYS A 37 40.153 8.875 -2.277 1.00 0.00 H ATOM 557 HE2 LYS A 37 40.877 8.462 -4.617 1.00 0.00 H ATOM 558 HE3 LYS A 37 42.334 9.436 -4.309 1.00 0.00 H ATOM 559 HZ1 LYS A 37 39.532 10.404 -4.165 1.00 0.00 H ATOM 560 HZ2 LYS A 37 40.923 11.334 -3.871 1.00 0.00 H ATOM 561 HZ3 LYS A 37 40.634 10.706 -5.423 1.00 0.00 H ATOM 562 H LYS A 37 41.505 7.219 0.901 1.00 0.00 H ATOM 563 N ASP A 38 44.550 8.128 1.515 1.00 44.61 N ATOM 564 CA ASP A 38 45.860 8.266 2.148 1.00 44.80 C ATOM 565 C ASP A 38 46.560 6.913 2.145 1.00 44.59 C ATOM 566 O ASP A 38 47.789 6.825 2.087 1.00 44.46 O ATOM 567 CB ASP A 38 45.713 8.776 3.583 1.00 46.30 C ATOM 568 CG ASP A 38 45.393 10.255 3.643 1.00 47.63 C ATOM 569 OD1 ASP A 38 44.410 10.678 2.999 1.00 48.19 O ATOM 570 OD2 ASP A 38 46.125 10.994 4.333 1.00 48.21 O ATOM 571 HA ASP A 38 46.453 8.989 1.588 1.00 0.00 H ATOM 572 HB2 ASP A 38 44.909 8.224 4.070 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.648 8.598 4.115 1.00 0.00 H ATOM 574 H ASP A 38 43.725 7.873 2.095 1.00 0.00 H ATOM 575 N ARG A 39 45.754 5.860 2.208 1.00 43.29 N ATOM 576 CA ARG A 39 46.238 4.486 2.192 1.00 42.58 C ATOM 577 C ARG A 39 45.004 3.606 2.058 1.00 41.27 C ATOM 578 O ARG A 39 43.900 4.108 1.862 1.00 41.22 O ATOM 579 CB ARG A 39 46.966 4.138 3.494 1.00 42.35 C ATOM 580 CG ARG A 39 46.054 4.024 4.705 1.00 44.15 C ATOM 581 CD ARG A 39 46.706 3.222 5.821 1.00 44.28 C ATOM 582 NE ARG A 39 45.800 3.041 6.952 1.00 45.75 N ATOM 583 CZ ARG A 39 46.034 2.231 7.980 1.00 47.09 C ATOM 584 NH1 ARG A 39 47.151 1.517 8.026 1.00 47.68 N ATOM 585 NH2 ARG A 39 45.147 2.132 8.963 1.00 47.41 N ATOM 586 HA ARG A 39 46.944 4.341 1.375 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.475 3.184 3.357 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.703 4.916 3.693 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.827 5.025 5.073 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.129 3.530 4.407 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.597 3.749 6.162 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.990 2.243 5.434 1.00 0.00 H ATOM 593 HE ARG A 39 44.912 3.582 6.953 1.00 0.00 H ATOM 594 HH12 ARG A 39 47.331 0.884 8.832 1.00 0.00 H ATOM 595 HH11 ARG A 39 47.847 1.590 7.256 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.330 1.498 9.767 1.00 0.00 H ATOM 597 HH21 ARG A 39 44.269 2.688 8.929 1.00 0.00 H ATOM 598 H ARG A 39 44.729 6.024 2.272 1.00 0.00 H ATOM 599 N CYS A 40 45.186 2.296 2.161 1.00 39.22 N ATOM 600 CA CYS A 40 44.053 1.389 2.072 1.00 37.66 C ATOM 601 C CYS A 40 43.598 1.056 3.487 1.00 35.72 C ATOM 602 O CYS A 40 44.342 0.432 4.244 1.00 36.00 O ATOM 603 CB CYS A 40 44.443 0.090 1.368 1.00 37.74 C ATOM 604 SG CYS A 40 45.150 0.242 -0.304 1.00 38.63 S ATOM 605 HA CYS A 40 43.259 1.869 1.500 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.547 -0.526 1.293 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.179 -0.416 1.993 1.00 0.00 H ATOM 608 H CYS A 40 46.143 1.916 2.306 1.00 0.00 H ATOM 609 N LYS A 41 42.397 1.482 3.866 1.00 33.97 N ATOM 610 CA LYS A 41 41.922 1.149 5.202 1.00 32.95 C ATOM 611 C LYS A 41 41.720 -0.360 5.163 1.00 31.32 C ATOM 612 O LYS A 41 40.935 -0.866 4.368 1.00 30.96 O ATOM 613 CB LYS A 41 40.604 1.856 5.534 1.00 33.24 C ATOM 614 CG LYS A 41 40.202 1.663 6.994 1.00 33.43 C ATOM 615 CD LYS A 41 39.016 2.512 7.410 1.00 33.75 C ATOM 616 CE LYS A 41 38.806 2.407 8.921 1.00 34.07 C ATOM 617 NZ LYS A 41 37.594 3.119 9.404 1.00 34.52 N ATOM 618 HA LYS A 41 42.627 1.467 5.970 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.717 2.922 5.338 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.818 1.452 4.896 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.947 0.614 7.147 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.052 1.924 7.624 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.204 3.552 7.142 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.122 2.161 6.895 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.677 2.831 9.421 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.715 1.353 9.184 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.671 4.129 9.170 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.752 2.718 8.944 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.515 3.006 10.435 1.00 0.00 H ATOM 630 H LYS A 41 41.807 2.043 3.220 1.00 0.00 H ATOM 631 N PRO A 42 42.442 -1.095 6.017 1.00 30.37 N ATOM 632 CA PRO A 42 42.413 -2.558 6.141 1.00 29.92 C ATOM 633 C PRO A 42 41.037 -3.222 6.227 1.00 29.91 C ATOM 634 O PRO A 42 40.684 -4.054 5.387 1.00 29.83 O ATOM 635 CB PRO A 42 43.239 -2.808 7.398 1.00 30.61 C ATOM 636 CG PRO A 42 44.207 -1.684 7.392 1.00 31.13 C ATOM 637 CD PRO A 42 43.331 -0.513 7.037 1.00 31.14 C ATOM 638 HA PRO A 42 42.800 -3.014 5.230 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.767 -0.163 7.902 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.917 0.311 6.629 1.00 0.00 H ATOM 641 HG3 PRO A 42 44.986 -1.836 6.645 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.666 -1.552 8.372 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.613 -2.781 8.290 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.753 -3.768 7.345 1.00 0.00 H ATOM 645 N VAL A 43 40.278 -2.858 7.256 1.00 27.76 N ATOM 646 CA VAL A 43 38.953 -3.422 7.493 1.00 26.24 C ATOM 647 C VAL A 43 37.939 -2.314 7.754 1.00 24.81 C ATOM 648 O VAL A 43 38.240 -1.340 8.440 1.00 25.23 O ATOM 649 CB VAL A 43 38.968 -4.348 8.735 1.00 26.60 C ATOM 650 CG1 VAL A 43 37.602 -4.983 8.938 1.00 26.65 C ATOM 651 CG2 VAL A 43 40.051 -5.411 8.586 1.00 26.74 C ATOM 652 HA VAL A 43 38.676 -3.988 6.604 1.00 0.00 H ATOM 653 HB VAL A 43 39.196 -3.752 9.618 1.00 0.00 H ATOM 654 HG11 VAL A 43 36.858 -4.201 9.086 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.342 -5.572 8.058 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.630 -5.630 9.815 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.852 -6.009 7.697 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.023 -4.927 8.489 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.050 -6.055 9.466 1.00 0.00 H ATOM 660 H VAL A 43 40.643 -2.143 7.918 1.00 0.00 H ATOM 661 N ASN A 44 36.739 -2.459 7.203 1.00 22.54 N ATOM 662 CA ASN A 44 35.696 -1.462 7.418 1.00 21.41 C ATOM 663 C ASN A 44 34.329 -2.070 7.175 1.00 21.20 C ATOM 664 O ASN A 44 34.139 -2.804 6.206 1.00 22.23 O ATOM 665 CB ASN A 44 35.883 -0.260 6.495 1.00 19.50 C ATOM 666 CG ASN A 44 34.913 0.861 6.807 1.00 20.45 C ATOM 667 OD1 ASN A 44 35.041 1.541 7.829 1.00 20.70 O ATOM 668 ND2 ASN A 44 33.924 1.052 5.935 1.00 18.93 N ATOM 669 HA ASN A 44 35.769 -1.125 8.452 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.900 0.115 6.609 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.728 -0.581 5.465 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.856 0.454 5.087 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.220 1.799 6.103 1.00 0.00 H ATOM 674 H ASN A 44 36.541 -3.292 6.612 1.00 0.00 H ATOM 675 N THR A 45 33.375 -1.741 8.044 1.00 17.90 N ATOM 676 CA THR A 45 32.018 -2.274 7.945 1.00 17.41 C ATOM 677 C THR A 45 30.975 -1.200 7.630 1.00 17.64 C ATOM 678 O THR A 45 30.997 -0.112 8.207 1.00 17.46 O ATOM 679 CB THR A 45 31.614 -2.970 9.281 1.00 15.46 C ATOM 680 OG1 THR A 45 32.572 -3.984 9.604 1.00 17.25 O ATOM 681 CG2 THR A 45 30.237 -3.596 9.171 1.00 14.74 C ATOM 682 HA THR A 45 32.032 -2.986 7.120 1.00 0.00 H ATOM 683 HB THR A 45 31.591 -2.216 10.068 1.00 0.00 H ATOM 684 HG1 THR A 45 32.597 -4.656 8.877 1.00 0.00 H ATOM 685 HG23 THR A 45 29.507 -2.825 8.925 1.00 0.00 H ATOM 686 HG21 THR A 45 30.245 -4.353 8.387 1.00 0.00 H ATOM 687 HG22 THR A 45 29.972 -4.058 10.122 1.00 0.00 H ATOM 688 H THR A 45 33.603 -1.084 8.817 1.00 0.00 H ATOM 689 N PHE A 46 30.067 -1.513 6.707 1.00 17.96 N ATOM 690 CA PHE A 46 28.990 -0.602 6.335 1.00 18.88 C ATOM 691 C PHE A 46 27.695 -1.213 6.876 1.00 18.07 C ATOM 692 O PHE A 46 27.494 -2.425 6.807 1.00 20.89 O ATOM 693 CB PHE A 46 28.926 -0.438 4.804 1.00 18.63 C ATOM 694 CG PHE A 46 30.049 0.397 4.233 1.00 19.46 C ATOM 695 CD1 PHE A 46 30.019 1.784 4.331 1.00 19.99 C ATOM 696 CD2 PHE A 46 31.156 -0.208 3.635 1.00 20.81 C ATOM 697 CE1 PHE A 46 31.075 2.565 3.847 1.00 21.97 C ATOM 698 CE2 PHE A 46 32.221 0.560 3.146 1.00 21.04 C ATOM 699 CZ PHE A 46 32.180 1.949 3.254 1.00 20.56 C ATOM 700 HA PHE A 46 29.152 0.392 6.752 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.968 -1.428 4.350 1.00 0.00 H ATOM 702 HB3 PHE A 46 27.979 0.038 4.548 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.192 -1.294 3.547 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.079 0.073 2.683 1.00 0.00 H ATOM 705 HZ PHE A 46 33.006 2.552 2.878 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.035 3.651 3.933 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.159 2.271 4.792 1.00 0.00 H ATOM 708 H PHE A 46 30.128 -2.438 6.236 1.00 0.00 H ATOM 709 N VAL A 47 26.837 -0.378 7.451 1.00 19.82 N ATOM 710 CA VAL A 47 25.579 -0.852 8.012 1.00 20.00 C ATOM 711 C VAL A 47 24.403 -0.435 7.142 1.00 21.02 C ATOM 712 O VAL A 47 24.206 0.751 6.876 1.00 21.63 O ATOM 713 CB VAL A 47 25.385 -0.310 9.436 1.00 20.45 C ATOM 714 CG1 VAL A 47 24.068 -0.807 10.016 1.00 19.61 C ATOM 715 CG2 VAL A 47 26.551 -0.762 10.307 1.00 18.02 C ATOM 716 HA VAL A 47 25.620 -1.941 8.046 1.00 0.00 H ATOM 717 HB VAL A 47 25.356 0.779 9.408 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.244 -0.465 9.389 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.074 -1.897 10.047 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.946 -0.414 11.025 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.584 -1.851 10.331 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.483 -0.378 9.892 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.417 -0.379 11.319 1.00 0.00 H ATOM 724 H VAL A 47 27.068 0.635 7.502 1.00 0.00 H ATOM 725 N HIS A 48 23.627 -1.424 6.710 1.00 23.03 N ATOM 726 CA HIS A 48 22.475 -1.188 5.842 1.00 24.71 C ATOM 727 C HIS A 48 21.175 -1.079 6.627 1.00 24.12 C ATOM 728 O HIS A 48 20.290 -1.927 6.511 1.00 24.49 O ATOM 729 CB HIS A 48 22.360 -2.315 4.814 1.00 26.67 C ATOM 730 CG HIS A 48 23.624 -2.567 4.053 1.00 28.84 C ATOM 731 ND1 HIS A 48 24.204 -1.619 3.238 1.00 31.92 N ATOM 732 CD2 HIS A 48 24.415 -3.662 3.977 1.00 30.15 C ATOM 733 CE1 HIS A 48 25.296 -2.120 2.690 1.00 31.90 C ATOM 734 NE2 HIS A 48 25.447 -3.359 3.122 1.00 31.39 N ATOM 735 HA HIS A 48 22.637 -0.235 5.338 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.084 -3.231 5.337 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.576 -2.054 4.103 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.262 -4.608 4.497 1.00 0.00 H ATOM 739 HE1 HIS A 48 25.959 -1.600 1.999 1.00 0.00 H ATOM 740 H HIS A 48 23.847 -2.398 6.999 1.00 0.00 H ATOM 741 N GLU A 49 21.077 -0.030 7.435 1.00 24.71 N ATOM 742 CA GLU A 49 19.894 0.229 8.244 1.00 24.27 C ATOM 743 C GLU A 49 19.726 1.740 8.287 1.00 24.79 C ATOM 744 O GLU A 49 20.635 2.477 7.901 1.00 26.47 O ATOM 745 CB GLU A 49 20.085 -0.302 9.675 1.00 25.19 C ATOM 746 CG GLU A 49 20.348 -1.802 9.795 1.00 25.22 C ATOM 747 CD GLU A 49 19.166 -2.669 9.379 1.00 26.17 C ATOM 748 OE1 GLU A 49 18.036 -2.146 9.287 1.00 26.87 O ATOM 749 OE2 GLU A 49 19.369 -3.884 9.158 1.00 24.87 O ATOM 750 HA GLU A 49 19.022 -0.268 7.818 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.932 0.223 10.117 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.182 -0.074 10.241 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.199 -2.054 9.162 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.591 -2.027 10.834 1.00 0.00 H ATOM 755 H GLU A 49 21.876 0.633 7.492 1.00 0.00 H ATOM 756 N SER A 50 18.573 2.202 8.760 1.00 24.96 N ATOM 757 CA SER A 50 18.321 3.631 8.858 1.00 25.27 C ATOM 758 C SER A 50 19.263 4.248 9.885 1.00 25.46 C ATOM 759 O SER A 50 19.783 3.553 10.762 1.00 25.65 O ATOM 760 CB SER A 50 16.869 3.896 9.269 1.00 26.38 C ATOM 761 OG SER A 50 16.649 3.573 10.635 1.00 25.38 O ATOM 762 HA SER A 50 18.496 4.083 7.882 1.00 0.00 H ATOM 763 HB2 SER A 50 16.209 3.289 8.650 1.00 0.00 H ATOM 764 HB3 SER A 50 16.643 4.951 9.113 1.00 0.00 H ATOM 765 HG SER A 50 15.704 3.755 10.868 1.00 0.00 H ATOM 766 H SER A 50 17.839 1.531 9.065 1.00 0.00 H ATOM 767 N LEU A 51 19.488 5.551 9.769 1.00 25.53 N ATOM 768 CA LEU A 51 20.357 6.256 10.698 1.00 25.56 C ATOM 769 C LEU A 51 19.754 6.249 12.100 1.00 26.36 C ATOM 770 O LEU A 51 20.474 6.170 13.098 1.00 25.77 O ATOM 771 CB LEU A 51 20.559 7.700 10.244 1.00 26.12 C ATOM 772 CG LEU A 51 21.405 8.574 11.169 1.00 26.04 C ATOM 773 CD1 LEU A 51 22.779 7.948 11.364 1.00 27.64 C ATOM 774 CD2 LEU A 51 21.529 9.961 10.575 1.00 28.88 C ATOM 775 HA LEU A 51 21.320 5.745 10.718 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.043 7.680 9.267 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.576 8.163 10.152 1.00 0.00 H ATOM 778 HG LEU A 51 20.922 8.649 12.143 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.007 9.895 9.598 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.537 10.399 10.467 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.132 10.585 11.235 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.667 6.959 11.808 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.277 7.860 10.398 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.374 8.579 12.025 1.00 0.00 H ATOM 785 H LEU A 51 19.033 6.079 8.997 1.00 0.00 H ATOM 786 N ALA A 52 18.431 6.333 12.179 1.00 25.38 N ATOM 787 CA ALA A 52 17.781 6.338 13.482 1.00 24.67 C ATOM 788 C ALA A 52 17.983 4.988 14.162 1.00 23.97 C ATOM 789 O ALA A 52 18.223 4.923 15.371 1.00 22.49 O ATOM 790 CB ALA A 52 16.290 6.650 13.334 1.00 24.79 C ATOM 791 HA ALA A 52 18.230 7.115 14.101 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.169 7.630 12.873 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.822 5.892 12.706 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.821 6.650 14.318 1.00 0.00 H ATOM 795 H ALA A 52 17.860 6.395 11.312 1.00 0.00 H ATOM 796 N ASP A 53 17.900 3.913 13.385 1.00 22.69 N ATOM 797 CA ASP A 53 18.079 2.573 13.932 1.00 23.61 C ATOM 798 C ASP A 53 19.483 2.367 14.499 1.00 23.61 C ATOM 799 O ASP A 53 19.649 1.787 15.577 1.00 23.32 O ATOM 800 CB ASP A 53 17.789 1.518 12.862 1.00 25.05 C ATOM 801 CG ASP A 53 16.310 1.193 12.754 1.00 27.53 C ATOM 802 OD1 ASP A 53 15.496 1.911 13.370 1.00 29.70 O ATOM 803 OD2 ASP A 53 15.960 0.220 12.053 1.00 30.41 O ATOM 804 HA ASP A 53 17.371 2.462 14.753 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.137 1.891 11.899 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.330 0.606 13.114 1.00 0.00 H ATOM 807 H ASP A 53 17.704 4.029 12.370 1.00 0.00 H ATOM 808 N VAL A 54 20.492 2.841 13.778 1.00 21.23 N ATOM 809 CA VAL A 54 21.863 2.694 14.245 1.00 20.56 C ATOM 810 C VAL A 54 22.116 3.620 15.435 1.00 20.78 C ATOM 811 O VAL A 54 22.751 3.222 16.422 1.00 18.36 O ATOM 812 CB VAL A 54 22.860 2.978 13.101 1.00 19.67 C ATOM 813 CG1 VAL A 54 24.290 2.814 13.588 1.00 17.27 C ATOM 814 CG2 VAL A 54 22.588 2.026 11.959 1.00 19.32 C ATOM 815 HA VAL A 54 22.014 1.665 14.572 1.00 0.00 H ATOM 816 HB VAL A 54 22.731 4.005 12.760 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.477 3.513 14.403 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.437 1.794 13.942 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.978 3.018 12.767 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.710 1.000 12.306 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.568 2.171 11.602 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.290 2.223 11.149 1.00 0.00 H ATOM 823 H VAL A 54 20.302 3.320 12.875 1.00 0.00 H ATOM 824 N GLN A 55 21.603 4.847 15.366 1.00 19.77 N ATOM 825 CA GLN A 55 21.780 5.782 16.474 1.00 21.26 C ATOM 826 C GLN A 55 21.125 5.237 17.743 1.00 20.58 C ATOM 827 O GLN A 55 21.617 5.464 18.846 1.00 20.54 O ATOM 828 CB GLN A 55 21.184 7.151 16.128 1.00 22.50 C ATOM 829 CG GLN A 55 22.044 7.949 15.154 1.00 23.39 C ATOM 830 CD GLN A 55 21.409 9.264 14.742 1.00 24.37 C ATOM 831 OE1 GLN A 55 20.090 9.359 14.879 1.00 24.82 O ATOM 832 NE2 GLN A 55 22.098 10.180 14.293 1.00 27.89 N ATOM 833 HA GLN A 55 22.849 5.900 16.650 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.202 6.999 15.680 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.077 7.726 17.048 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.002 8.159 15.629 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.207 7.347 14.260 1.00 0.00 H ATOM 838 HE22 GLN A 55 23.127 10.061 14.204 1.00 0.00 H ATOM 839 HE21 GLN A 55 21.651 11.073 14.003 1.00 0.00 H ATOM 840 H GLN A 55 21.074 5.141 14.520 1.00 0.00 H ATOM 841 N ALA A 56 20.027 4.504 17.573 1.00 20.23 N ATOM 842 CA ALA A 56 19.297 3.923 18.700 1.00 20.21 C ATOM 843 C ALA A 56 20.109 2.867 19.454 1.00 20.12 C ATOM 844 O ALA A 56 19.792 2.526 20.599 1.00 19.42 O ATOM 845 CB ALA A 56 17.983 3.310 18.214 1.00 21.45 C ATOM 846 HA ALA A 56 19.098 4.736 19.398 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.371 4.085 17.752 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.196 2.529 17.484 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.448 2.881 19.061 1.00 0.00 H ATOM 850 H ALA A 56 19.677 4.339 16.608 1.00 0.00 H ATOM 851 N VAL A 57 21.154 2.348 18.818 1.00 18.47 N ATOM 852 CA VAL A 57 21.981 1.337 19.457 1.00 18.33 C ATOM 853 C VAL A 57 22.719 1.935 20.664 1.00 17.92 C ATOM 854 O VAL A 57 23.096 1.214 21.591 1.00 18.49 O ATOM 855 CB VAL A 57 22.992 0.729 18.451 1.00 17.70 C ATOM 856 CG1 VAL A 57 23.889 -0.287 19.147 1.00 16.10 C ATOM 857 CG2 VAL A 57 22.240 0.047 17.307 1.00 18.48 C ATOM 858 HA VAL A 57 21.329 0.536 19.807 1.00 0.00 H ATOM 859 HB VAL A 57 23.611 1.533 18.052 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.438 0.205 19.950 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.276 -1.087 19.562 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.592 -0.703 18.426 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.611 -0.747 17.710 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.618 0.781 16.794 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.957 -0.378 16.605 1.00 0.00 H ATOM 866 H VAL A 57 21.382 2.668 17.855 1.00 0.00 H ATOM 867 N CYS A 58 22.898 3.255 20.677 1.00 16.01 N ATOM 868 CA CYS A 58 23.594 3.886 21.793 1.00 16.33 C ATOM 869 C CYS A 58 22.826 3.763 23.107 1.00 16.74 C ATOM 870 O CYS A 58 23.373 4.054 24.169 1.00 19.13 O ATOM 871 CB CYS A 58 23.887 5.359 21.498 1.00 16.30 C ATOM 872 SG CYS A 58 25.105 5.615 20.165 1.00 18.47 S ATOM 873 HA CYS A 58 24.536 3.350 21.909 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.270 5.822 22.407 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.954 5.844 21.210 1.00 0.00 H ATOM 876 H CYS A 58 22.541 3.836 19.891 1.00 0.00 H ATOM 877 N SER A 59 21.568 3.326 23.040 1.00 17.70 N ATOM 878 CA SER A 59 20.757 3.155 24.246 1.00 18.69 C ATOM 879 C SER A 59 20.420 1.680 24.464 1.00 17.90 C ATOM 880 O SER A 59 19.553 1.338 25.277 1.00 20.40 O ATOM 881 CB SER A 59 19.457 3.956 24.131 1.00 19.65 C ATOM 882 OG SER A 59 18.631 3.418 23.114 1.00 23.40 O ATOM 883 HA SER A 59 21.335 3.520 25.095 1.00 0.00 H ATOM 884 HB2 SER A 59 19.694 4.992 23.890 1.00 0.00 H ATOM 885 HB3 SER A 59 18.926 3.918 25.082 1.00 0.00 H ATOM 886 HG SER A 59 19.109 3.455 22.248 1.00 0.00 H ATOM 887 H SER A 59 21.155 3.102 22.112 1.00 0.00 H ATOM 888 N GLN A 60 21.111 0.803 23.746 1.00 15.92 N ATOM 889 CA GLN A 60 20.847 -0.622 23.859 1.00 14.75 C ATOM 890 C GLN A 60 21.833 -1.354 24.776 1.00 17.05 C ATOM 891 O GLN A 60 22.214 -0.788 25.800 1.00 18.87 O ATOM 892 CB GLN A 60 20.732 -1.218 22.447 1.00 15.43 C ATOM 893 CG GLN A 60 19.436 -0.699 21.779 1.00 16.64 C ATOM 894 CD GLN A 60 19.272 -1.086 20.320 1.00 15.63 C ATOM 895 OE1 GLN A 60 19.768 -2.115 19.880 1.00 17.23 O ATOM 896 NE2 GLN A 60 18.537 -0.267 19.570 1.00 18.14 N ATOM 897 HA GLN A 60 19.893 -0.768 24.365 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.595 -0.917 21.853 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.699 -2.306 22.512 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.586 -1.097 22.333 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.433 0.389 21.844 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.134 0.597 19.985 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.366 -0.492 18.569 1.00 0.00 H ATOM 904 H GLN A 60 21.849 1.139 23.095 1.00 0.00 H ATOM 905 N LYS A 61 22.250 -2.576 24.441 1.00 18.02 N ATOM 906 CA LYS A 61 23.132 -3.341 25.336 1.00 17.48 C ATOM 907 C LYS A 61 24.555 -2.831 25.574 1.00 17.18 C ATOM 908 O LYS A 61 25.415 -2.921 24.705 1.00 17.79 O ATOM 909 CB LYS A 61 23.192 -4.806 24.894 1.00 18.80 C ATOM 910 CG LYS A 61 23.914 -5.715 25.882 1.00 23.55 C ATOM 911 CD LYS A 61 23.887 -7.167 25.423 1.00 27.45 C ATOM 912 CE LYS A 61 24.566 -8.078 26.435 1.00 31.49 C ATOM 913 NZ LYS A 61 24.468 -9.521 26.050 1.00 33.94 N ATOM 914 HA LYS A 61 22.650 -3.206 26.304 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.172 -5.171 24.772 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.711 -4.856 23.937 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.951 -5.390 25.971 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.427 -5.641 26.854 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.851 -7.482 25.300 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.406 -7.248 24.468 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.091 -7.940 27.406 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.619 -7.803 26.505 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.467 -9.795 25.988 1.00 0.00 H ATOM 924 HZ2 LYS A 61 24.925 -9.664 25.127 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.944 -10.103 26.768 1.00 0.00 H ATOM 926 H LYS A 61 21.948 -2.993 23.537 1.00 0.00 H ATOM 927 N ASN A 62 24.800 -2.320 26.782 1.00 16.34 N ATOM 928 CA ASN A 62 26.118 -1.797 27.139 1.00 17.30 C ATOM 929 C ASN A 62 27.080 -2.974 27.278 1.00 17.39 C ATOM 930 O ASN A 62 26.820 -3.917 28.034 1.00 20.17 O ATOM 931 CB ASN A 62 26.049 -1.044 28.476 1.00 17.80 C ATOM 932 CG ASN A 62 27.304 -0.225 28.774 1.00 20.54 C ATOM 933 OD1 ASN A 62 27.603 0.050 29.939 1.00 23.01 O ATOM 934 ND2 ASN A 62 28.023 0.190 27.737 1.00 18.36 N ATOM 935 HA ASN A 62 26.459 -1.109 26.366 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.193 -0.369 28.450 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.912 -1.771 29.276 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.736 -0.064 26.770 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.873 0.769 27.892 1.00 0.00 H ATOM 940 H ASN A 62 24.035 -2.293 27.486 1.00 0.00 H ATOM 941 N VAL A 63 28.187 -2.913 26.548 1.00 13.92 N ATOM 942 CA VAL A 63 29.198 -3.963 26.585 1.00 15.34 C ATOM 943 C VAL A 63 30.571 -3.315 26.513 1.00 14.94 C ATOM 944 O VAL A 63 30.714 -2.184 26.045 1.00 16.84 O ATOM 945 CB VAL A 63 29.065 -4.944 25.389 1.00 16.42 C ATOM 946 CG1 VAL A 63 27.680 -5.594 25.382 1.00 16.98 C ATOM 947 CG2 VAL A 63 29.312 -4.207 24.088 1.00 17.29 C ATOM 948 HA VAL A 63 29.062 -4.526 27.508 1.00 0.00 H ATOM 949 HB VAL A 63 29.811 -5.732 25.494 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.534 -6.145 26.311 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.917 -4.820 25.293 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.605 -6.278 24.537 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.580 -3.407 23.981 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.316 -3.784 24.097 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.217 -4.903 23.254 1.00 0.00 H ATOM 956 H VAL A 63 28.338 -2.090 25.930 1.00 0.00 H ATOM 957 N ALA A 64 31.584 -4.039 26.971 1.00 15.88 N ATOM 958 CA ALA A 64 32.940 -3.522 26.945 1.00 15.64 C ATOM 959 C ALA A 64 33.467 -3.416 25.519 1.00 15.03 C ATOM 960 O ALA A 64 33.195 -4.265 24.673 1.00 16.93 O ATOM 961 CB ALA A 64 33.849 -4.414 27.764 1.00 17.73 C ATOM 962 HA ALA A 64 32.926 -2.521 27.376 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.495 -4.443 28.794 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.840 -5.421 27.347 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.864 -4.018 27.738 1.00 0.00 H ATOM 966 H ALA A 64 31.404 -4.989 27.354 1.00 0.00 H ATOM 967 N CYS A 65 34.214 -2.352 25.258 1.00 16.33 N ATOM 968 CA CYS A 65 34.829 -2.142 23.950 1.00 16.78 C ATOM 969 C CYS A 65 36.096 -2.985 23.897 1.00 16.83 C ATOM 970 O CYS A 65 36.639 -3.351 24.934 1.00 19.37 O ATOM 971 CB CYS A 65 35.244 -0.691 23.781 1.00 17.70 C ATOM 972 SG CYS A 65 33.923 0.544 23.857 1.00 19.81 S ATOM 973 HA CYS A 65 34.117 -2.411 23.170 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.730 -0.597 22.810 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.961 -0.458 24.568 1.00 0.00 H ATOM 976 H CYS A 65 34.366 -1.646 26.007 1.00 0.00 H ATOM 977 N LYS A 66 36.580 -3.262 22.692 1.00 18.49 N ATOM 978 CA LYS A 66 37.790 -4.057 22.533 1.00 19.68 C ATOM 979 C LYS A 66 39.021 -3.422 23.177 1.00 19.74 C ATOM 980 O LYS A 66 39.910 -4.134 23.634 1.00 21.66 O ATOM 981 CB LYS A 66 38.059 -4.322 21.051 1.00 19.95 C ATOM 982 CG LYS A 66 37.134 -5.371 20.451 1.00 24.81 C ATOM 983 CD LYS A 66 37.453 -5.632 18.991 1.00 26.82 C ATOM 984 CE LYS A 66 36.800 -6.924 18.528 1.00 30.55 C ATOM 985 NZ LYS A 66 37.133 -7.247 17.115 1.00 33.47 N ATOM 986 HA LYS A 66 37.610 -4.997 23.055 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.927 -3.389 20.503 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.088 -4.664 20.941 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.245 -6.301 21.009 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.105 -5.022 20.531 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.079 -4.804 18.388 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.533 -5.711 18.868 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.719 -6.824 18.620 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.143 -7.739 19.165 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.802 -6.478 16.498 1.00 0.00 H ATOM 996 HZ2 LYS A 66 38.163 -7.352 17.018 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.666 -8.136 16.844 1.00 0.00 H ATOM 998 H LYS A 66 36.087 -2.906 21.848 1.00 0.00 H ATOM 999 N ASN A 67 39.075 -2.094 23.222 1.00 20.67 N ATOM 1000 CA ASN A 67 40.225 -1.419 23.819 1.00 22.01 C ATOM 1001 C ASN A 67 40.142 -1.296 25.337 1.00 21.50 C ATOM 1002 O ASN A 67 41.043 -0.736 25.962 1.00 24.01 O ATOM 1003 CB ASN A 67 40.426 -0.018 23.214 1.00 21.93 C ATOM 1004 CG ASN A 67 39.251 0.924 23.477 1.00 25.14 C ATOM 1005 OD1 ASN A 67 38.420 0.688 24.352 1.00 22.01 O ATOM 1006 ND2 ASN A 67 39.197 2.015 22.719 1.00 27.90 N ATOM 1007 HA ASN A 67 41.079 -2.055 23.586 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.326 0.421 23.646 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.554 -0.120 22.136 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.920 2.178 21.989 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.432 2.706 22.856 1.00 0.00 H ATOM 1012 H ASN A 67 38.293 -1.532 22.829 1.00 0.00 H ATOM 1013 N GLY A 68 39.067 -1.810 25.929 1.00 20.45 N ATOM 1014 CA GLY A 68 38.913 -1.733 27.369 1.00 20.37 C ATOM 1015 C GLY A 68 37.970 -0.656 27.874 1.00 20.35 C ATOM 1016 O GLY A 68 37.597 -0.660 29.046 1.00 20.67 O ATOM 1017 HA3 GLY A 68 39.896 -1.547 27.802 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.540 -2.696 27.718 1.00 0.00 H ATOM 1019 H GLY A 68 38.332 -2.270 25.355 1.00 0.00 H ATOM 1020 N GLN A 69 37.592 0.275 27.004 1.00 21.21 N ATOM 1021 CA GLN A 69 36.675 1.343 27.391 1.00 21.26 C ATOM 1022 C GLN A 69 35.292 0.735 27.599 1.00 21.58 C ATOM 1023 O GLN A 69 35.006 -0.352 27.088 1.00 22.32 O ATOM 1024 CB GLN A 69 36.667 2.449 26.324 1.00 24.49 C ATOM 1025 CG GLN A 69 37.947 3.291 26.352 1.00 29.62 C ATOM 1026 CD GLN A 69 38.004 4.362 25.275 1.00 32.41 C ATOM 1027 OE1 GLN A 69 38.251 4.074 24.103 1.00 33.97 O ATOM 1028 NE2 GLN A 69 37.775 5.611 25.671 1.00 35.53 N ATOM 1029 HA GLN A 69 36.997 1.808 28.323 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.571 1.988 25.341 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.813 3.102 26.502 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.016 3.778 27.325 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.799 2.625 26.219 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.570 5.810 26.671 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.801 6.388 24.981 1.00 0.00 H ATOM 1036 H GLN A 69 37.956 0.242 26.030 1.00 0.00 H ATOM 1037 N THR A 70 34.439 1.426 28.349 1.00 19.67 N ATOM 1038 CA THR A 70 33.112 0.915 28.676 1.00 18.88 C ATOM 1039 C THR A 70 31.941 1.499 27.896 1.00 18.25 C ATOM 1040 O THR A 70 30.784 1.192 28.203 1.00 20.63 O ATOM 1041 CB THR A 70 32.800 1.149 30.168 1.00 21.96 C ATOM 1042 OG1 THR A 70 32.648 2.555 30.401 1.00 25.31 O ATOM 1043 CG2 THR A 70 33.934 0.630 31.041 1.00 23.62 C ATOM 1044 HA THR A 70 33.185 -0.137 28.401 1.00 0.00 H ATOM 1045 HB THR A 70 31.883 0.617 30.420 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.905 2.902 29.847 1.00 0.00 H ATOM 1047 HG23 THR A 70 34.060 -0.440 30.873 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.856 1.151 30.784 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.695 0.809 32.089 1.00 0.00 H ATOM 1050 H THR A 70 34.726 2.357 28.713 1.00 0.00 H ATOM 1051 N ASN A 71 32.228 2.321 26.891 1.00 16.42 N ATOM 1052 CA ASN A 71 31.164 2.975 26.133 1.00 14.91 C ATOM 1053 C ASN A 71 30.747 2.323 24.818 1.00 15.04 C ATOM 1054 O ASN A 71 30.455 3.018 23.843 1.00 16.09 O ATOM 1055 CB ASN A 71 31.544 4.441 25.884 1.00 15.32 C ATOM 1056 CG ASN A 71 32.776 4.584 25.010 1.00 18.10 C ATOM 1057 OD1 ASN A 71 33.805 3.962 25.262 1.00 18.60 O ATOM 1058 ND2 ASN A 71 32.677 5.413 23.977 1.00 17.82 N ATOM 1059 HA ASN A 71 30.283 2.874 26.767 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.708 4.940 25.394 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.739 4.919 26.844 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.786 5.920 23.800 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.490 5.555 23.345 1.00 0.00 H ATOM 1064 H ASN A 71 33.222 2.500 26.642 1.00 0.00 H ATOM 1065 N CYS A 72 30.712 0.994 24.791 1.00 15.19 N ATOM 1066 CA CYS A 72 30.285 0.276 23.592 1.00 14.57 C ATOM 1067 C CYS A 72 28.906 -0.309 23.794 1.00 14.28 C ATOM 1068 O CYS A 72 28.506 -0.609 24.917 1.00 13.43 O ATOM 1069 CB CYS A 72 31.298 -0.801 23.212 1.00 16.65 C ATOM 1070 SG CYS A 72 32.668 0.020 22.345 1.00 18.10 S ATOM 1071 HA CYS A 72 30.234 0.982 22.763 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.831 -1.537 22.558 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.669 -1.297 24.109 1.00 0.00 H ATOM 1074 H CYS A 72 30.993 0.457 25.636 1.00 0.00 H ATOM 1075 N TYR A 73 28.166 -0.434 22.698 1.00 12.62 N ATOM 1076 CA TYR A 73 26.799 -0.931 22.751 1.00 14.66 C ATOM 1077 C TYR A 73 26.509 -1.898 21.626 1.00 13.68 C ATOM 1078 O TYR A 73 26.876 -1.652 20.470 1.00 14.93 O ATOM 1079 CB TYR A 73 25.815 0.242 22.687 1.00 13.66 C ATOM 1080 CG TYR A 73 26.055 1.255 23.787 1.00 15.33 C ATOM 1081 CD1 TYR A 73 27.100 2.182 23.696 1.00 16.98 C ATOM 1082 CD2 TYR A 73 25.315 1.213 24.963 1.00 17.76 C ATOM 1083 CE1 TYR A 73 27.405 3.032 24.761 1.00 18.31 C ATOM 1084 CE2 TYR A 73 25.613 2.050 26.030 1.00 16.79 C ATOM 1085 CZ TYR A 73 26.660 2.951 25.926 1.00 17.92 C ATOM 1086 OH TYR A 73 27.001 3.728 27.008 1.00 18.90 O ATOM 1087 HA TYR A 73 26.679 -1.466 23.693 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.801 -0.146 22.782 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.924 0.739 21.723 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.486 0.510 25.049 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.025 1.998 26.946 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.220 3.751 24.677 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.685 2.241 22.778 1.00 0.00 H ATOM 1094 HH TYR A 73 27.763 4.312 26.766 1.00 0.00 H ATOM 1095 H TYR A 73 28.574 -0.170 21.778 1.00 0.00 H ATOM 1096 N GLN A 74 25.852 -2.995 21.986 1.00 14.86 N ATOM 1097 CA GLN A 74 25.503 -4.041 21.047 1.00 15.26 C ATOM 1098 C GLN A 74 24.016 -3.975 20.692 1.00 15.31 C ATOM 1099 O GLN A 74 23.159 -3.840 21.560 1.00 13.67 O ATOM 1100 CB GLN A 74 25.840 -5.396 21.665 1.00 18.54 C ATOM 1101 CG GLN A 74 25.562 -6.593 20.779 1.00 20.37 C ATOM 1102 CD GLN A 74 25.949 -7.891 21.457 1.00 22.95 C ATOM 1103 OE1 GLN A 74 27.102 -8.080 21.845 1.00 24.54 O ATOM 1104 NE2 GLN A 74 24.988 -8.790 21.613 1.00 24.93 N ATOM 1105 HA GLN A 74 26.074 -3.904 20.128 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.901 -5.399 21.914 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.253 -5.507 22.577 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.498 -6.620 20.544 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.134 -6.491 19.857 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.027 -8.589 21.270 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.195 -9.697 22.079 1.00 0.00 H ATOM 1112 H GLN A 74 25.577 -3.107 22.983 1.00 0.00 H ATOM 1113 N SER A 75 23.713 -4.063 19.405 1.00 14.75 N ATOM 1114 CA SER A 75 22.330 -4.011 18.969 1.00 15.20 C ATOM 1115 C SER A 75 21.562 -5.252 19.440 1.00 16.78 C ATOM 1116 O SER A 75 22.085 -6.368 19.408 1.00 16.97 O ATOM 1117 CB SER A 75 22.287 -3.910 17.437 1.00 13.29 C ATOM 1118 OG SER A 75 22.840 -5.070 16.841 1.00 14.89 O ATOM 1119 HA SER A 75 21.853 -3.135 19.407 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.859 -3.038 17.120 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.251 -3.801 17.115 1.00 0.00 H ATOM 1122 HG SER A 75 22.321 -5.864 17.124 1.00 0.00 H ATOM 1123 H SER A 75 24.472 -4.170 18.702 1.00 0.00 H ATOM 1124 N TYR A 76 20.321 -5.052 19.887 1.00 17.56 N ATOM 1125 CA TYR A 76 19.486 -6.158 20.333 1.00 19.18 C ATOM 1126 C TYR A 76 19.069 -7.014 19.140 1.00 20.14 C ATOM 1127 O TYR A 76 18.967 -8.235 19.241 1.00 19.65 O ATOM 1128 CB TYR A 76 18.241 -5.633 21.061 1.00 18.75 C ATOM 1129 CG TYR A 76 18.548 -5.029 22.417 1.00 17.98 C ATOM 1130 CD1 TYR A 76 19.262 -5.751 23.371 1.00 19.06 C ATOM 1131 CD2 TYR A 76 18.141 -3.731 22.743 1.00 19.54 C ATOM 1132 CE1 TYR A 76 19.564 -5.208 24.606 1.00 17.58 C ATOM 1133 CE2 TYR A 76 18.443 -3.176 23.985 1.00 18.42 C ATOM 1134 CZ TYR A 76 19.154 -3.921 24.910 1.00 19.06 C ATOM 1135 OH TYR A 76 19.460 -3.390 26.148 1.00 19.54 O ATOM 1136 HA TYR A 76 20.063 -6.769 21.027 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.547 -6.461 21.200 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.773 -4.869 20.440 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.580 -3.145 22.015 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.122 -2.163 24.226 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.123 -5.791 25.338 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.589 -6.765 23.139 1.00 0.00 H ATOM 1143 HH TYR A 76 19.968 -4.057 26.675 1.00 0.00 H ATOM 1144 H TYR A 76 19.942 -4.084 19.918 1.00 0.00 H ATOM 1145 N SER A 77 18.830 -6.363 18.009 1.00 22.90 N ATOM 1146 CA SER A 77 18.436 -7.064 16.793 1.00 23.66 C ATOM 1147 C SER A 77 19.645 -7.209 15.878 1.00 24.40 C ATOM 1148 O SER A 77 20.615 -6.453 15.990 1.00 23.52 O ATOM 1149 CB SER A 77 17.342 -6.282 16.061 1.00 25.42 C ATOM 1150 OG SER A 77 16.179 -6.151 16.857 1.00 29.75 O ATOM 1151 HA SER A 77 18.052 -8.048 17.062 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.085 -6.808 15.141 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.719 -5.289 15.817 1.00 0.00 H ATOM 1154 HG SER A 77 15.829 -7.050 17.078 1.00 0.00 H ATOM 1155 H SER A 77 18.926 -5.328 17.989 1.00 0.00 H ATOM 1156 N THR A 78 19.605 -8.190 14.983 1.00 24.70 N ATOM 1157 CA THR A 78 20.708 -8.358 14.047 1.00 24.13 C ATOM 1158 C THR A 78 20.467 -7.293 12.983 1.00 24.46 C ATOM 1159 O THR A 78 19.336 -6.832 12.803 1.00 24.62 O ATOM 1160 CB THR A 78 20.708 -9.759 13.399 1.00 25.59 C ATOM 1161 OG1 THR A 78 19.515 -9.934 12.626 1.00 25.03 O ATOM 1162 CG2 THR A 78 20.773 -10.842 14.470 1.00 25.91 C ATOM 1163 HA THR A 78 21.672 -8.259 14.547 1.00 0.00 H ATOM 1164 HB THR A 78 21.583 -9.842 12.754 1.00 0.00 H ATOM 1165 HG1 THR A 78 18.725 -9.845 13.216 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.680 -10.713 15.061 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.901 -10.763 15.119 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.785 -11.822 13.993 1.00 0.00 H ATOM 1169 H THR A 78 18.790 -8.835 14.951 1.00 0.00 H ATOM 1170 N MET A 79 21.528 -6.874 12.307 1.00 22.07 N ATOM 1171 CA MET A 79 21.403 -5.856 11.278 1.00 22.81 C ATOM 1172 C MET A 79 22.115 -6.299 10.021 1.00 22.40 C ATOM 1173 O MET A 79 23.035 -7.119 10.063 1.00 22.85 O ATOM 1174 CB MET A 79 21.990 -4.522 11.754 1.00 20.60 C ATOM 1175 CG MET A 79 21.233 -3.871 12.909 1.00 21.59 C ATOM 1176 SD MET A 79 21.899 -2.252 13.342 1.00 21.79 S ATOM 1177 CE MET A 79 20.540 -1.536 14.307 1.00 20.16 C ATOM 1178 HA MET A 79 20.343 -5.716 11.067 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.017 -4.697 12.076 1.00 0.00 H ATOM 1180 HB3 MET A 79 21.988 -3.829 10.912 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.298 -4.521 13.781 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.188 -3.754 12.622 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.646 -1.480 13.686 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.342 -2.164 15.175 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.818 -0.535 14.637 1.00 0.00 H ATOM 1186 H MET A 79 22.462 -7.280 12.516 1.00 0.00 H ATOM 1187 N SER A 80 21.675 -5.760 8.893 1.00 22.93 N ATOM 1188 CA SER A 80 22.294 -6.093 7.626 1.00 22.20 C ATOM 1189 C SER A 80 23.562 -5.262 7.495 1.00 21.60 C ATOM 1190 O SER A 80 23.510 -4.033 7.515 1.00 21.60 O ATOM 1191 CB SER A 80 21.338 -5.788 6.474 1.00 23.98 C ATOM 1192 OG SER A 80 21.979 -5.965 5.227 1.00 25.14 O ATOM 1193 HA SER A 80 22.533 -7.156 7.589 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.996 -4.756 6.557 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.481 -6.459 6.534 1.00 0.00 H ATOM 1196 HG SER A 80 21.341 -5.762 4.498 1.00 0.00 H ATOM 1197 H SER A 80 20.878 -5.092 8.917 1.00 0.00 H ATOM 1198 N ILE A 81 24.696 -5.941 7.364 1.00 21.75 N ATOM 1199 CA ILE A 81 25.981 -5.268 7.236 1.00 22.02 C ATOM 1200 C ILE A 81 26.847 -5.867 6.138 1.00 22.83 C ATOM 1201 O ILE A 81 26.602 -6.971 5.652 1.00 24.89 O ATOM 1202 CB ILE A 81 26.791 -5.353 8.541 1.00 20.70 C ATOM 1203 CG1 ILE A 81 27.171 -6.816 8.818 1.00 23.02 C ATOM 1204 CG2 ILE A 81 25.975 -4.767 9.687 1.00 19.91 C ATOM 1205 CD1 ILE A 81 28.103 -7.013 10.021 1.00 23.85 C ATOM 1206 HA ILE A 81 25.739 -4.234 6.992 1.00 0.00 H ATOM 1207 HB ILE A 81 27.710 -4.775 8.446 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.255 -7.378 9.001 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.668 -7.213 7.933 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.032 -6.469 9.852 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.618 -6.634 10.921 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.318 -8.075 10.142 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.744 -3.724 9.470 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.049 -5.331 9.797 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.551 -4.829 10.610 1.00 0.00 H ATOM 1216 H ILE A 81 24.665 -6.980 7.353 1.00 0.00 H ATOM 1217 N THR A 82 27.881 -5.128 5.770 1.00 23.02 N ATOM 1218 CA THR A 82 28.812 -5.587 4.760 1.00 22.93 C ATOM 1219 C THR A 82 30.225 -5.327 5.251 1.00 22.01 C ATOM 1220 O THR A 82 30.586 -4.187 5.546 1.00 21.54 O ATOM 1221 CB THR A 82 28.606 -4.845 3.429 1.00 24.69 C ATOM 1222 OG1 THR A 82 27.247 -5.008 2.996 1.00 24.49 O ATOM 1223 CG2 THR A 82 29.548 -5.401 2.370 1.00 26.43 C ATOM 1224 HA THR A 82 28.643 -6.650 4.590 1.00 0.00 H ATOM 1225 HB THR A 82 28.820 -3.786 3.574 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.637 -4.635 3.680 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.579 -5.276 2.701 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.339 -6.460 2.220 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.398 -4.863 1.434 1.00 0.00 H ATOM 1230 H THR A 82 28.028 -4.199 6.215 1.00 0.00 H ATOM 1231 N ASP A 83 31.014 -6.389 5.362 1.00 22.75 N ATOM 1232 CA ASP A 83 32.397 -6.248 5.791 1.00 24.77 C ATOM 1233 C ASP A 83 33.281 -6.093 4.568 1.00 24.84 C ATOM 1234 O ASP A 83 33.094 -6.782 3.565 1.00 24.39 O ATOM 1235 CB ASP A 83 32.869 -7.469 6.581 1.00 26.60 C ATOM 1236 CG ASP A 83 32.251 -7.547 7.957 1.00 30.41 C ATOM 1237 OD1 ASP A 83 32.119 -6.489 8.607 1.00 29.93 O ATOM 1238 OD2 ASP A 83 31.909 -8.667 8.394 1.00 32.33 O ATOM 1239 HA ASP A 83 32.462 -5.372 6.436 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.601 -8.368 6.027 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.953 -7.418 6.687 1.00 0.00 H ATOM 1242 H ASP A 83 30.639 -7.333 5.140 1.00 0.00 H ATOM 1243 N CYS A 84 34.234 -5.175 4.658 1.00 23.31 N ATOM 1244 CA CYS A 84 35.176 -4.939 3.579 1.00 25.11 C ATOM 1245 C CYS A 84 36.569 -5.214 4.120 1.00 25.96 C ATOM 1246 O CYS A 84 37.027 -4.534 5.038 1.00 24.18 O ATOM 1247 CB CYS A 84 35.095 -3.495 3.100 1.00 25.89 C ATOM 1248 SG CYS A 84 33.525 -3.033 2.309 1.00 25.94 S ATOM 1249 HA CYS A 84 34.945 -5.589 2.735 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.897 -3.332 2.380 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.244 -2.844 3.962 1.00 0.00 H ATOM 1252 H CYS A 84 34.309 -4.608 5.527 1.00 0.00 H ATOM 1253 N ARG A 85 37.234 -6.215 3.553 1.00 27.61 N ATOM 1254 CA ARG A 85 38.576 -6.579 3.981 1.00 31.60 C ATOM 1255 C ARG A 85 39.535 -6.534 2.799 1.00 33.04 C ATOM 1256 O ARG A 85 39.286 -7.149 1.760 1.00 33.56 O ATOM 1257 CB ARG A 85 38.588 -7.988 4.570 1.00 34.43 C ATOM 1258 CG ARG A 85 39.936 -8.389 5.154 1.00 39.72 C ATOM 1259 CD ARG A 85 40.226 -9.872 4.951 1.00 44.03 C ATOM 1260 NE ARG A 85 40.482 -10.184 3.545 1.00 48.25 N ATOM 1261 CZ ARG A 85 40.838 -11.383 3.095 1.00 49.31 C ATOM 1262 NH1 ARG A 85 40.982 -12.395 3.939 1.00 49.73 N ATOM 1263 NH2 ARG A 85 41.053 -11.569 1.798 1.00 51.35 N ATOM 1264 HA ARG A 85 38.892 -5.865 4.741 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.840 -8.038 5.361 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.329 -8.694 3.781 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.718 -7.807 4.667 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.936 -8.173 6.222 1.00 0.00 H ATOM 1269 HD2 ARG A 85 39.367 -10.450 5.291 1.00 0.00 H ATOM 1270 HD3 ARG A 85 41.102 -10.145 5.539 1.00 0.00 H ATOM 1271 HE ARG A 85 40.379 -9.416 2.851 1.00 0.00 H ATOM 1272 HH12 ARG A 85 41.261 -13.332 3.584 1.00 0.00 H ATOM 1273 HH11 ARG A 85 40.816 -12.252 4.956 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.332 -12.507 1.446 1.00 0.00 H ATOM 1275 HH21 ARG A 85 40.943 -10.776 1.134 1.00 0.00 H ATOM 1276 H ARG A 85 36.784 -6.752 2.784 1.00 0.00 H ATOM 1277 N GLU A 86 40.634 -5.810 2.965 1.00 33.97 N ATOM 1278 CA GLU A 86 41.627 -5.694 1.908 1.00 35.32 C ATOM 1279 C GLU A 86 42.271 -7.039 1.583 1.00 36.04 C ATOM 1280 O GLU A 86 42.664 -7.789 2.478 1.00 35.96 O ATOM 1281 CB GLU A 86 42.700 -4.680 2.309 1.00 37.13 C ATOM 1282 CG GLU A 86 43.991 -4.802 1.520 1.00 40.39 C ATOM 1283 CD GLU A 86 44.871 -3.581 1.651 1.00 41.83 C ATOM 1284 OE1 GLU A 86 44.610 -2.585 0.949 1.00 44.57 O ATOM 1285 OE2 GLU A 86 45.816 -3.610 2.461 1.00 43.61 O ATOM 1286 HA GLU A 86 41.116 -5.349 1.009 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.299 -3.678 2.157 1.00 0.00 H ATOM 1288 HB3 GLU A 86 42.929 -4.822 3.365 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.542 -5.670 1.883 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.745 -4.944 0.468 1.00 0.00 H ATOM 1291 H GLU A 86 40.789 -5.316 3.867 1.00 0.00 H ATOM 1292 N THR A 87 42.379 -7.331 0.291 1.00 36.14 N ATOM 1293 CA THR A 87 42.975 -8.581 -0.174 1.00 37.83 C ATOM 1294 C THR A 87 44.500 -8.519 -0.128 1.00 39.87 C ATOM 1295 O THR A 87 45.085 -7.480 0.182 1.00 40.32 O ATOM 1296 CB THR A 87 42.551 -8.888 -1.617 1.00 36.88 C ATOM 1297 OG1 THR A 87 43.071 -7.880 -2.492 1.00 34.97 O ATOM 1298 CG2 THR A 87 41.029 -8.913 -1.730 1.00 35.37 C ATOM 1299 HA THR A 87 42.620 -9.366 0.493 1.00 0.00 H ATOM 1300 HB THR A 87 42.945 -9.865 -1.898 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.715 -6.996 -2.224 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.629 -9.679 -1.066 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.629 -7.939 -1.447 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.746 -9.138 -2.758 1.00 0.00 H ATOM 1305 H THR A 87 42.028 -6.648 -0.411 1.00 0.00 H ATOM 1306 N GLY A 88 45.139 -9.640 -0.444 1.00 42.05 N ATOM 1307 CA GLY A 88 46.590 -9.694 -0.432 1.00 43.75 C ATOM 1308 C GLY A 88 47.233 -8.980 -1.606 1.00 44.95 C ATOM 1309 O GLY A 88 48.233 -8.280 -1.441 1.00 46.43 O ATOM 1310 HA3 GLY A 88 46.897 -10.740 -0.454 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.945 -9.232 0.489 1.00 0.00 H ATOM 1312 H GLY A 88 44.594 -10.487 -0.703 1.00 0.00 H ATOM 1313 N SER A 89 46.666 -9.153 -2.795 1.00 45.62 N ATOM 1314 CA SER A 89 47.205 -8.515 -3.990 1.00 45.89 C ATOM 1315 C SER A 89 46.965 -7.008 -3.956 1.00 45.62 C ATOM 1316 O SER A 89 47.494 -6.267 -4.786 1.00 45.30 O ATOM 1317 CB SER A 89 46.560 -9.108 -5.246 1.00 46.83 C ATOM 1318 OG SER A 89 45.182 -8.781 -5.317 1.00 48.59 O ATOM 1319 HA SER A 89 48.279 -8.699 -4.015 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.668 -10.192 -5.223 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.066 -8.712 -6.127 1.00 0.00 H ATOM 1322 HG SER A 89 44.792 -9.176 -6.137 1.00 0.00 H ATOM 1323 H SER A 89 45.822 -9.755 -2.875 1.00 0.00 H ATOM 1324 N SER A 90 46.161 -6.561 -2.995 1.00 44.93 N ATOM 1325 CA SER A 90 45.848 -5.142 -2.853 1.00 43.60 C ATOM 1326 C SER A 90 47.111 -4.316 -2.641 1.00 43.16 C ATOM 1327 O SER A 90 47.900 -4.594 -1.740 1.00 43.46 O ATOM 1328 CB SER A 90 44.894 -4.926 -1.676 1.00 42.89 C ATOM 1329 OG SER A 90 44.661 -3.544 -1.455 1.00 40.04 O ATOM 1330 HA SER A 90 45.370 -4.813 -3.776 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.332 -5.362 -0.778 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.945 -5.417 -1.891 1.00 0.00 H ATOM 1333 HG SER A 90 44.042 -3.433 -0.690 1.00 0.00 H ATOM 1334 H SER A 90 45.744 -7.240 -2.327 1.00 0.00 H ATOM 1335 N LYS A 91 47.295 -3.298 -3.475 1.00 42.99 N ATOM 1336 CA LYS A 91 48.461 -2.429 -3.375 1.00 42.82 C ATOM 1337 C LYS A 91 48.096 -0.977 -3.642 1.00 41.69 C ATOM 1338 O LYS A 91 47.683 -0.621 -4.745 1.00 41.42 O ATOM 1339 CB LYS A 91 49.547 -2.876 -4.359 1.00 43.78 C ATOM 1340 CG LYS A 91 50.164 -4.231 -4.034 1.00 44.79 C ATOM 1341 CD LYS A 91 50.883 -4.201 -2.694 1.00 45.59 C ATOM 1342 CE LYS A 91 51.464 -5.559 -2.341 1.00 46.85 C ATOM 1343 NZ LYS A 91 52.116 -5.551 -1.000 1.00 46.82 N ATOM 1344 HA LYS A 91 48.841 -2.506 -2.356 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.106 -2.931 -5.354 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.341 -2.129 -4.355 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.375 -4.982 -3.998 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.878 -4.494 -4.815 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.692 -3.472 -2.742 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.175 -3.906 -1.919 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.205 -5.832 -3.092 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.662 -6.297 -2.339 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.888 -4.854 -0.995 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.414 -5.298 -0.276 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.500 -6.496 -0.797 1.00 0.00 H ATOM 1356 H LYS A 91 46.590 -3.117 -4.217 1.00 0.00 H ATOM 1357 N TYR A 92 48.248 -0.147 -2.618 1.00 42.49 N ATOM 1358 CA TYR A 92 47.949 1.276 -2.719 1.00 43.57 C ATOM 1359 C TYR A 92 48.625 1.828 -3.973 1.00 43.34 C ATOM 1360 O TYR A 92 49.758 1.462 -4.280 1.00 43.82 O ATOM 1361 CB TYR A 92 48.480 1.988 -1.473 1.00 44.17 C ATOM 1362 CG TYR A 92 48.205 3.471 -1.425 1.00 45.94 C ATOM 1363 CD1 TYR A 92 46.903 3.959 -1.303 1.00 46.11 C ATOM 1364 CD2 TYR A 92 49.250 4.391 -1.484 1.00 46.45 C ATOM 1365 CE1 TYR A 92 46.652 5.326 -1.238 1.00 46.37 C ATOM 1366 CE2 TYR A 92 49.011 5.756 -1.420 1.00 46.95 C ATOM 1367 CZ TYR A 92 47.713 6.218 -1.297 1.00 47.30 C ATOM 1368 OH TYR A 92 47.480 7.572 -1.238 1.00 47.39 O ATOM 1369 HA TYR A 92 46.873 1.438 -2.787 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.559 1.842 -1.433 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.020 1.529 -0.598 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.274 4.031 -1.582 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.841 6.461 -1.466 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.630 5.693 -1.142 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.070 3.258 -1.258 1.00 0.00 H ATOM 1376 HH TYR A 92 46.507 7.735 -1.151 1.00 0.00 H ATOM 1377 H TYR A 92 48.592 -0.525 -1.712 1.00 0.00 H ATOM 1378 N PRO A 93 47.944 2.721 -4.713 1.00 43.38 N ATOM 1379 CA PRO A 93 46.602 3.269 -4.494 1.00 43.23 C ATOM 1380 C PRO A 93 45.468 2.379 -5.002 1.00 43.17 C ATOM 1381 O PRO A 93 44.295 2.671 -4.774 1.00 43.59 O ATOM 1382 CB PRO A 93 46.659 4.592 -5.244 1.00 43.15 C ATOM 1383 CG PRO A 93 47.463 4.219 -6.442 1.00 43.09 C ATOM 1384 CD PRO A 93 48.603 3.416 -5.835 1.00 43.00 C ATOM 1385 HA PRO A 93 46.372 3.363 -3.433 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.011 2.705 -6.554 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.400 4.069 -5.480 1.00 0.00 H ATOM 1388 HG3 PRO A 93 47.835 5.104 -6.958 1.00 0.00 H ATOM 1389 HG2 PRO A 93 46.880 3.613 -7.136 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.663 4.935 -5.523 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.156 5.363 -4.655 1.00 0.00 H ATOM 1392 N ASN A 94 45.813 1.304 -5.699 1.00 42.65 N ATOM 1393 CA ASN A 94 44.802 0.391 -6.225 1.00 41.82 C ATOM 1394 C ASN A 94 44.327 -0.566 -5.136 1.00 40.40 C ATOM 1395 O ASN A 94 44.571 -1.770 -5.197 1.00 39.22 O ATOM 1396 CB ASN A 94 45.369 -0.398 -7.405 1.00 43.58 C ATOM 1397 CG ASN A 94 45.788 0.499 -8.551 1.00 45.85 C ATOM 1398 OD1 ASN A 94 46.581 1.425 -8.370 1.00 47.67 O ATOM 1399 ND2 ASN A 94 45.257 0.232 -9.738 1.00 46.38 N ATOM 1400 HA ASN A 94 43.950 0.978 -6.567 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.238 -0.961 -7.065 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.607 -1.090 -7.762 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.592 -0.560 -9.844 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.506 0.815 -10.562 1.00 0.00 H ATOM 1405 H ASN A 94 46.819 1.109 -5.873 1.00 0.00 H ATOM 1406 N CYS A 95 43.644 -0.018 -4.138 1.00 39.06 N ATOM 1407 CA CYS A 95 43.144 -0.818 -3.034 1.00 37.38 C ATOM 1408 C CYS A 95 42.057 -1.785 -3.497 1.00 35.99 C ATOM 1409 O CYS A 95 41.115 -1.394 -4.187 1.00 35.87 O ATOM 1410 CB CYS A 95 42.598 0.095 -1.938 1.00 37.83 C ATOM 1411 SG CYS A 95 43.777 1.340 -1.316 1.00 37.89 S ATOM 1412 HA CYS A 95 43.972 -1.406 -2.639 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.291 -0.529 -1.099 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.730 0.620 -2.336 1.00 0.00 H ATOM 1415 H CYS A 95 43.463 1.006 -4.147 1.00 0.00 H ATOM 1416 N ALA A 96 42.200 -3.051 -3.116 1.00 35.15 N ATOM 1417 CA ALA A 96 41.236 -4.086 -3.481 1.00 33.36 C ATOM 1418 C ALA A 96 40.654 -4.718 -2.222 1.00 32.18 C ATOM 1419 O ALA A 96 41.382 -5.003 -1.270 1.00 30.60 O ATOM 1420 CB ALA A 96 41.912 -5.153 -4.343 1.00 35.14 C ATOM 1421 HA ALA A 96 40.428 -3.633 -4.056 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.303 -4.692 -5.250 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.730 -5.606 -3.783 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.183 -5.919 -4.609 1.00 0.00 H ATOM 1425 H ALA A 96 43.025 -3.313 -2.539 1.00 0.00 H ATOM 1426 N TYR A 97 39.343 -4.952 -2.229 1.00 29.51 N ATOM 1427 CA TYR A 97 38.665 -5.527 -1.072 1.00 28.75 C ATOM 1428 C TYR A 97 37.755 -6.714 -1.360 1.00 29.12 C ATOM 1429 O TYR A 97 37.181 -6.843 -2.444 1.00 29.89 O ATOM 1430 CB TYR A 97 37.817 -4.464 -0.366 1.00 25.64 C ATOM 1431 CG TYR A 97 38.599 -3.298 0.185 1.00 25.29 C ATOM 1432 CD1 TYR A 97 38.963 -2.232 -0.632 1.00 26.81 C ATOM 1433 CD2 TYR A 97 39.001 -3.275 1.524 1.00 25.46 C ATOM 1434 CE1 TYR A 97 39.708 -1.169 -0.138 1.00 26.29 C ATOM 1435 CE2 TYR A 97 39.751 -2.214 2.031 1.00 25.80 C ATOM 1436 CZ TYR A 97 40.101 -1.164 1.191 1.00 26.75 C ATOM 1437 OH TYR A 97 40.850 -0.111 1.668 1.00 26.70 O ATOM 1438 HA TYR A 97 39.482 -5.894 -0.451 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.292 -4.942 0.461 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.091 -4.078 -1.081 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.724 -4.099 2.182 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.060 -2.209 3.076 1.00 0.00 H ATOM 1443 HE1 TYR A 97 39.982 -0.342 -0.793 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.658 -2.231 -1.678 1.00 0.00 H ATOM 1445 HH TYR A 97 40.363 0.330 2.408 1.00 0.00 H ATOM 1446 H TYR A 97 38.790 -4.720 -3.078 1.00 0.00 H ATOM 1447 N LYS A 98 37.622 -7.568 -0.356 1.00 30.47 N ATOM 1448 CA LYS A 98 36.744 -8.725 -0.426 1.00 31.21 C ATOM 1449 C LYS A 98 35.443 -8.253 0.225 1.00 31.59 C ATOM 1450 O LYS A 98 35.464 -7.689 1.319 1.00 30.47 O ATOM 1451 CB LYS A 98 37.335 -9.887 0.370 1.00 32.57 C ATOM 1452 CG LYS A 98 36.370 -11.038 0.598 1.00 35.84 C ATOM 1453 CD LYS A 98 37.054 -12.230 1.255 1.00 39.78 C ATOM 1454 CE LYS A 98 37.739 -11.847 2.563 1.00 41.43 C ATOM 1455 NZ LYS A 98 36.810 -11.211 3.542 1.00 45.47 N ATOM 1456 HA LYS A 98 36.600 -9.078 -1.447 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.201 -10.268 -0.172 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.653 -9.510 1.342 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.560 -10.697 1.242 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.961 -11.351 -0.363 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.306 -12.996 1.460 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.802 -12.629 0.569 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.544 -11.146 2.342 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.156 -12.747 3.014 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.412 -10.344 3.127 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.041 -11.873 3.769 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.332 -10.973 4.410 1.00 0.00 H ATOM 1468 H LYS A 98 38.166 -7.405 0.515 1.00 0.00 H ATOM 1469 N THR A 99 34.321 -8.465 -0.453 1.00 31.54 N ATOM 1470 CA THR A 99 33.026 -8.043 0.067 1.00 31.11 C ATOM 1471 C THR A 99 32.273 -9.199 0.732 1.00 32.97 C ATOM 1472 O THR A 99 32.045 -10.240 0.115 1.00 33.34 O ATOM 1473 CB THR A 99 32.159 -7.449 -1.066 1.00 31.67 C ATOM 1474 OG1 THR A 99 32.821 -6.305 -1.625 1.00 30.15 O ATOM 1475 CG2 THR A 99 30.791 -7.033 -0.539 1.00 30.47 C ATOM 1476 HA THR A 99 33.216 -7.282 0.824 1.00 0.00 H ATOM 1477 HB THR A 99 32.020 -8.211 -1.833 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.954 -5.624 -0.919 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.287 -7.901 -0.114 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.916 -6.271 0.231 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.195 -6.630 -1.358 1.00 0.00 H ATOM 1482 H THR A 99 34.367 -8.943 -1.376 1.00 0.00 H ATOM 1483 N THR A 100 31.891 -9.016 1.993 1.00 31.48 N ATOM 1484 CA THR A 100 31.164 -10.052 2.716 1.00 32.35 C ATOM 1485 C THR A 100 29.881 -9.513 3.343 1.00 32.10 C ATOM 1486 O THR A 100 29.919 -8.668 4.238 1.00 31.25 O ATOM 1487 CB THR A 100 32.025 -10.673 3.838 1.00 33.71 C ATOM 1488 OG1 THR A 100 33.232 -11.207 3.281 1.00 36.58 O ATOM 1489 CG2 THR A 100 31.262 -11.797 4.532 1.00 34.19 C ATOM 1490 HA THR A 100 30.916 -10.814 1.978 1.00 0.00 H ATOM 1491 HB THR A 100 32.261 -9.895 4.564 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.740 -10.481 2.840 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.341 -11.400 4.959 1.00 0.00 H ATOM 1494 HG21 THR A 100 31.022 -12.574 3.806 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.880 -12.218 5.325 1.00 0.00 H ATOM 1496 H THR A 100 32.115 -8.120 2.471 1.00 0.00 H ATOM 1497 N GLN A 101 28.747 -10.007 2.863 1.00 31.47 N ATOM 1498 CA GLN A 101 27.448 -9.598 3.376 1.00 31.01 C ATOM 1499 C GLN A 101 27.015 -10.563 4.469 1.00 30.33 C ATOM 1500 O GLN A 101 27.252 -11.769 4.373 1.00 30.88 O ATOM 1501 CB GLN A 101 26.407 -9.598 2.253 1.00 31.49 C ATOM 1502 CG GLN A 101 24.978 -9.440 2.746 1.00 33.01 C ATOM 1503 CD GLN A 101 24.722 -8.088 3.384 1.00 32.48 C ATOM 1504 OE1 GLN A 101 23.791 -7.927 4.171 1.00 33.42 O ATOM 1505 NE2 GLN A 101 25.539 -7.103 3.032 1.00 31.39 N ATOM 1506 HA GLN A 101 27.527 -8.589 3.781 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.631 -8.774 1.576 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.483 -10.542 1.713 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.302 -9.559 1.899 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.776 -10.217 3.483 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.314 -7.284 2.363 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.404 -6.150 3.426 1.00 0.00 H ATOM 1513 H GLN A 101 28.788 -10.708 2.096 1.00 0.00 H ATOM 1514 N ALA A 102 26.382 -10.031 5.510 1.00 28.79 N ATOM 1515 CA ALA A 102 25.919 -10.859 6.615 1.00 26.75 C ATOM 1516 C ALA A 102 24.917 -10.111 7.481 1.00 25.30 C ATOM 1517 O ALA A 102 24.750 -8.902 7.352 1.00 24.75 O ATOM 1518 CB ALA A 102 27.104 -11.306 7.462 1.00 27.86 C ATOM 1519 HA ALA A 102 25.421 -11.734 6.197 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.793 -11.882 6.845 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.616 -10.430 7.859 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.747 -11.925 8.286 1.00 0.00 H ATOM 1523 H ALA A 102 26.214 -9.005 5.536 1.00 0.00 H ATOM 1524 N ASN A 103 24.247 -10.850 8.357 1.00 25.02 N ATOM 1525 CA ASN A 103 23.270 -10.278 9.275 1.00 25.52 C ATOM 1526 C ASN A 103 23.785 -10.585 10.667 1.00 24.73 C ATOM 1527 O ASN A 103 23.783 -11.735 11.104 1.00 25.84 O ATOM 1528 CB ASN A 103 21.904 -10.913 9.049 1.00 27.13 C ATOM 1529 CG ASN A 103 21.285 -10.483 7.742 1.00 30.31 C ATOM 1530 OD1 ASN A 103 20.801 -9.359 7.612 1.00 31.57 O ATOM 1531 ND2 ASN A 103 21.311 -11.371 6.754 1.00 34.08 N ATOM 1532 HA ASN A 103 23.150 -9.205 9.126 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.017 -11.997 9.044 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.242 -10.621 9.864 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.731 -12.310 6.910 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.912 -11.127 5.825 1.00 0.00 H ATOM 1537 H ASN A 103 24.426 -11.874 8.389 1.00 0.00 H ATOM 1538 N LYS A 104 24.243 -9.549 11.355 1.00 23.16 N ATOM 1539 CA LYS A 104 24.810 -9.735 12.680 1.00 21.64 C ATOM 1540 C LYS A 104 24.499 -8.566 13.595 1.00 19.56 C ATOM 1541 O LYS A 104 24.048 -7.508 13.154 1.00 19.44 O ATOM 1542 CB LYS A 104 26.332 -9.891 12.566 1.00 23.81 C ATOM 1543 CG LYS A 104 26.794 -10.978 11.600 1.00 25.06 C ATOM 1544 CD LYS A 104 28.311 -11.019 11.471 1.00 28.23 C ATOM 1545 CE LYS A 104 28.992 -11.351 12.792 1.00 29.60 C ATOM 1546 NZ LYS A 104 30.482 -11.395 12.670 1.00 30.69 N ATOM 1547 HA LYS A 104 24.364 -10.631 13.111 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.746 -8.940 12.230 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.724 -10.127 13.555 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.445 -11.944 11.964 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.362 -10.784 10.618 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.581 -11.778 10.736 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.661 -10.045 11.130 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.639 -12.324 13.133 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.723 -10.591 13.526 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.751 -12.123 11.978 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.830 -10.468 12.353 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.898 -11.625 13.595 1.00 0.00 H ATOM 1559 H LYS A 104 24.196 -8.595 10.943 1.00 0.00 H ATOM 1560 N HIS A 105 24.736 -8.769 14.885 1.00 20.28 N ATOM 1561 CA HIS A 105 24.523 -7.715 15.859 1.00 19.66 C ATOM 1562 C HIS A 105 25.734 -6.805 15.728 1.00 19.40 C ATOM 1563 O HIS A 105 26.862 -7.291 15.629 1.00 21.47 O ATOM 1564 CB HIS A 105 24.487 -8.301 17.271 1.00 21.72 C ATOM 1565 CG HIS A 105 23.361 -9.260 17.502 1.00 22.46 C ATOM 1566 ND1 HIS A 105 22.072 -8.846 17.759 1.00 23.27 N ATOM 1567 CD2 HIS A 105 23.331 -10.614 17.505 1.00 24.16 C ATOM 1568 CE1 HIS A 105 21.294 -9.904 17.911 1.00 24.90 C ATOM 1569 NE2 HIS A 105 22.033 -10.989 17.763 1.00 24.59 N ATOM 1570 HA HIS A 105 23.582 -7.192 15.689 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.426 -8.825 17.449 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.390 -7.480 17.981 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.176 -11.281 17.335 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.225 -9.884 18.122 1.00 0.00 H ATOM 1575 H HIS A 105 25.080 -9.698 15.203 1.00 0.00 H ATOM 1576 N ILE A 106 25.525 -5.494 15.706 1.00 17.91 N ATOM 1577 CA ILE A 106 26.672 -4.601 15.607 1.00 17.28 C ATOM 1578 C ILE A 106 27.035 -4.050 16.982 1.00 14.37 C ATOM 1579 O ILE A 106 26.193 -3.970 17.873 1.00 14.73 O ATOM 1580 CB ILE A 106 26.401 -3.402 14.659 1.00 18.06 C ATOM 1581 CG1 ILE A 106 25.297 -2.507 15.232 1.00 18.84 C ATOM 1582 CG2 ILE A 106 26.014 -3.911 13.275 1.00 19.16 C ATOM 1583 CD1 ILE A 106 25.206 -1.140 14.567 1.00 18.23 C ATOM 1584 HA ILE A 106 27.493 -5.192 15.200 1.00 0.00 H ATOM 1585 HB ILE A 106 27.311 -2.808 14.572 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.341 -3.016 15.105 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.490 -2.360 16.295 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.151 -0.611 14.695 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.001 -1.267 13.504 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.402 -0.566 15.027 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.827 -4.513 12.870 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.113 -4.520 13.352 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.826 -3.063 12.617 1.00 0.00 H ATOM 1594 H ILE A 106 24.559 -5.111 15.759 1.00 0.00 H ATOM 1595 N ILE A 107 28.303 -3.690 17.148 1.00 14.00 N ATOM 1596 CA ILE A 107 28.778 -3.093 18.389 1.00 13.89 C ATOM 1597 C ILE A 107 29.478 -1.783 18.032 1.00 14.58 C ATOM 1598 O ILE A 107 30.426 -1.758 17.244 1.00 15.22 O ATOM 1599 CB ILE A 107 29.762 -4.005 19.141 1.00 14.11 C ATOM 1600 CG1 ILE A 107 29.064 -5.312 19.539 1.00 16.33 C ATOM 1601 CG2 ILE A 107 30.251 -3.286 20.386 1.00 16.11 C ATOM 1602 CD1 ILE A 107 29.959 -6.307 20.271 1.00 17.55 C ATOM 1603 HA ILE A 107 27.925 -2.933 19.048 1.00 0.00 H ATOM 1604 HB ILE A 107 30.608 -4.240 18.495 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.224 -5.066 20.189 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.692 -5.790 18.633 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.799 -6.577 19.631 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.331 -5.852 21.189 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.384 -7.201 20.514 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.753 -2.362 20.097 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.401 -3.054 21.027 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.949 -3.927 20.924 1.00 0.00 H ATOM 1613 H ILE A 107 28.976 -3.839 16.369 1.00 0.00 H ATOM 1614 N VAL A 108 28.969 -0.689 18.583 1.00 13.32 N ATOM 1615 CA VAL A 108 29.528 0.628 18.327 1.00 14.39 C ATOM 1616 C VAL A 108 29.852 1.364 19.624 1.00 15.40 C ATOM 1617 O VAL A 108 29.278 1.083 20.675 1.00 15.80 O ATOM 1618 CB VAL A 108 28.543 1.491 17.507 1.00 14.82 C ATOM 1619 CG1 VAL A 108 28.284 0.825 16.160 1.00 14.61 C ATOM 1620 CG2 VAL A 108 27.240 1.663 18.271 1.00 15.33 C ATOM 1621 HA VAL A 108 30.449 0.475 17.764 1.00 0.00 H ATOM 1622 HB VAL A 108 28.978 2.476 17.340 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.224 0.730 15.617 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.854 -0.164 16.322 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.589 1.435 15.582 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.795 0.685 18.452 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.441 2.154 19.223 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.554 2.273 17.684 1.00 0.00 H ATOM 1629 H VAL A 108 28.148 -0.776 19.215 1.00 0.00 H ATOM 1630 N ALA A 109 30.794 2.293 19.540 1.00 15.40 N ATOM 1631 CA ALA A 109 31.159 3.102 20.695 1.00 14.96 C ATOM 1632 C ALA A 109 30.410 4.414 20.509 1.00 16.95 C ATOM 1633 O ALA A 109 30.331 4.942 19.398 1.00 16.85 O ATOM 1634 CB ALA A 109 32.653 3.356 20.720 1.00 15.91 C ATOM 1635 HA ALA A 109 30.905 2.607 21.633 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.181 2.404 20.775 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.946 3.884 19.812 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.903 3.962 21.591 1.00 0.00 H ATOM 1639 H ALA A 109 31.281 2.447 18.634 1.00 0.00 H ATOM 1640 N CYS A 110 29.853 4.935 21.592 1.00 15.27 N ATOM 1641 CA CYS A 110 29.108 6.184 21.520 1.00 16.51 C ATOM 1642 C CYS A 110 29.648 7.193 22.511 1.00 17.59 C ATOM 1643 O CYS A 110 30.195 6.835 23.562 1.00 16.16 O ATOM 1644 CB CYS A 110 27.630 5.948 21.835 1.00 18.50 C ATOM 1645 SG CYS A 110 26.792 4.676 20.834 1.00 17.18 S ATOM 1646 HA CYS A 110 29.217 6.569 20.506 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.103 6.890 21.687 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.555 5.652 22.881 1.00 0.00 H ATOM 1649 H CYS A 110 29.949 4.446 22.505 1.00 0.00 H ATOM 1650 N GLU A 111 29.485 8.461 22.168 1.00 19.49 N ATOM 1651 CA GLU A 111 29.903 9.542 23.041 1.00 20.94 C ATOM 1652 C GLU A 111 29.302 10.859 22.618 1.00 19.46 C ATOM 1653 O GLU A 111 28.717 10.967 21.538 1.00 18.26 O ATOM 1654 CB GLU A 111 31.433 9.648 23.132 1.00 27.67 C ATOM 1655 CG GLU A 111 32.221 9.506 21.865 1.00 31.33 C ATOM 1656 CD GLU A 111 33.723 9.560 22.129 1.00 34.00 C ATOM 1657 OE1 GLU A 111 34.221 8.765 22.953 1.00 34.52 O ATOM 1658 OE2 GLU A 111 34.410 10.399 21.515 1.00 34.40 O ATOM 1659 HA GLU A 111 29.529 9.303 24.037 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.667 10.626 23.552 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.773 8.870 23.815 1.00 0.00 H ATOM 1662 HG2 GLU A 111 31.977 8.550 21.402 1.00 0.00 H ATOM 1663 HG3 GLU A 111 31.951 10.316 21.188 1.00 0.00 H ATOM 1664 H GLU A 111 29.047 8.688 21.252 1.00 0.00 H ATOM 1665 N GLY A 112 29.413 11.846 23.502 1.00 17.49 N ATOM 1666 CA GLY A 112 28.895 13.173 23.229 1.00 17.42 C ATOM 1667 C GLY A 112 27.477 13.427 23.691 1.00 18.93 C ATOM 1668 O GLY A 112 26.800 12.543 24.224 1.00 18.60 O ATOM 1669 HA3 GLY A 112 28.931 13.333 22.151 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.544 13.895 23.724 1.00 0.00 H ATOM 1671 H GLY A 112 29.883 11.662 24.411 1.00 0.00 H ATOM 1672 N ASN A 113 27.040 14.670 23.509 1.00 20.32 N ATOM 1673 CA ASN A 113 25.686 15.079 23.842 1.00 23.01 C ATOM 1674 C ASN A 113 25.195 15.910 22.657 1.00 24.23 C ATOM 1675 O ASN A 113 25.625 17.054 22.473 1.00 24.18 O ATOM 1676 CB ASN A 113 25.670 15.917 25.124 1.00 23.27 C ATOM 1677 CG ASN A 113 24.263 16.262 25.567 1.00 24.42 C ATOM 1678 OD1 ASN A 113 23.290 15.737 25.029 1.00 23.31 O ATOM 1679 ND2 ASN A 113 24.147 17.138 26.560 1.00 27.16 N ATOM 1680 HA ASN A 113 25.046 14.215 24.021 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.160 15.353 25.918 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.218 16.842 24.946 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.998 17.557 26.986 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.205 17.404 26.911 1.00 0.00 H ATOM 1685 H ASN A 113 27.693 15.376 23.113 1.00 0.00 H ATOM 1686 N PRO A 114 24.284 15.353 21.836 1.00 23.84 N ATOM 1687 CA PRO A 114 23.665 14.023 21.916 1.00 23.81 C ATOM 1688 C PRO A 114 24.637 12.844 21.878 1.00 22.36 C ATOM 1689 O PRO A 114 25.719 12.925 21.289 1.00 21.52 O ATOM 1690 CB PRO A 114 22.714 14.019 20.724 1.00 25.81 C ATOM 1691 CG PRO A 114 23.477 14.821 19.714 1.00 26.01 C ATOM 1692 CD PRO A 114 23.958 15.993 20.547 1.00 25.68 C ATOM 1693 HA PRO A 114 23.179 13.876 22.881 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.838 16.458 20.103 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.174 16.741 20.665 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.832 15.151 18.900 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.314 14.254 19.306 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.529 13.006 20.368 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.765 14.494 20.972 1.00 0.00 H ATOM 1700 N TYR A 115 24.226 11.753 22.516 1.00 21.14 N ATOM 1701 CA TYR A 115 25.009 10.519 22.607 1.00 19.70 C ATOM 1702 C TYR A 115 24.834 9.740 21.307 1.00 18.18 C ATOM 1703 O TYR A 115 23.793 9.121 21.076 1.00 18.88 O ATOM 1704 CB TYR A 115 24.502 9.698 23.795 1.00 20.55 C ATOM 1705 CG TYR A 115 25.502 8.706 24.342 1.00 17.31 C ATOM 1706 CD1 TYR A 115 26.780 9.119 24.722 1.00 17.65 C ATOM 1707 CD2 TYR A 115 25.150 7.373 24.546 1.00 16.12 C ATOM 1708 CE1 TYR A 115 27.680 8.230 25.301 1.00 16.47 C ATOM 1709 CE2 TYR A 115 26.040 6.475 25.121 1.00 16.69 C ATOM 1710 CZ TYR A 115 27.301 6.911 25.503 1.00 18.27 C ATOM 1711 OH TYR A 115 28.163 6.047 26.138 1.00 18.12 O ATOM 1712 HA TYR A 115 26.066 10.739 22.756 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.616 9.149 23.477 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.232 10.387 24.595 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.159 7.029 24.249 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.750 5.435 25.271 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.674 8.567 25.593 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.078 10.155 24.562 1.00 0.00 H ATOM 1719 HH TYR A 115 27.751 5.733 26.982 1.00 0.00 H ATOM 1720 H TYR A 115 23.294 11.777 22.977 1.00 0.00 H ATOM 1721 N VAL A 116 25.855 9.780 20.462 1.00 19.00 N ATOM 1722 CA VAL A 116 25.800 9.129 19.159 1.00 17.32 C ATOM 1723 C VAL A 116 27.005 8.243 18.855 1.00 18.05 C ATOM 1724 O VAL A 116 28.038 8.317 19.528 1.00 15.29 O ATOM 1725 CB VAL A 116 25.676 10.189 18.043 1.00 19.95 C ATOM 1726 CG1 VAL A 116 24.300 10.851 18.094 1.00 19.32 C ATOM 1727 CG2 VAL A 116 26.774 11.234 18.204 1.00 17.39 C ATOM 1728 HA VAL A 116 24.924 8.481 19.192 1.00 0.00 H ATOM 1729 HB VAL A 116 25.788 9.703 17.074 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.528 10.094 17.955 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.166 11.334 19.062 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.227 11.596 17.302 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.674 11.718 19.176 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.748 10.749 18.137 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.683 11.980 17.414 1.00 0.00 H ATOM 1736 H VAL A 116 26.719 10.290 20.736 1.00 0.00 H ATOM 1737 N PRO A 117 26.885 7.386 17.826 1.00 17.03 N ATOM 1738 CA PRO A 117 27.981 6.487 17.446 1.00 17.23 C ATOM 1739 C PRO A 117 29.170 7.263 16.888 1.00 17.91 C ATOM 1740 O PRO A 117 28.986 8.175 16.083 1.00 20.40 O ATOM 1741 CB PRO A 117 27.344 5.592 16.383 1.00 18.80 C ATOM 1742 CG PRO A 117 25.887 5.628 16.702 1.00 17.05 C ATOM 1743 CD PRO A 117 25.666 7.072 17.057 1.00 16.33 C ATOM 1744 HA PRO A 117 28.384 5.925 18.288 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.589 7.693 16.164 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.770 7.199 17.665 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.651 4.975 17.542 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.287 5.338 15.839 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.531 5.984 15.383 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.730 4.575 16.451 1.00 0.00 H ATOM 1751 N VAL A 118 30.380 6.900 17.309 1.00 17.56 N ATOM 1752 CA VAL A 118 31.593 7.564 16.830 1.00 17.65 C ATOM 1753 C VAL A 118 32.656 6.547 16.404 1.00 17.16 C ATOM 1754 O VAL A 118 33.716 6.918 15.896 1.00 18.57 O ATOM 1755 CB VAL A 118 32.203 8.495 17.915 1.00 18.79 C ATOM 1756 CG1 VAL A 118 31.211 9.595 18.284 1.00 18.24 C ATOM 1757 CG2 VAL A 118 32.582 7.681 19.157 1.00 17.21 C ATOM 1758 HA VAL A 118 31.296 8.162 15.969 1.00 0.00 H ATOM 1759 HB VAL A 118 33.104 8.959 17.514 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.978 10.184 17.397 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.298 9.144 18.672 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.651 10.239 19.045 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.691 7.198 19.559 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.315 6.923 18.883 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.008 8.345 19.909 1.00 0.00 H ATOM 1766 H VAL A 118 30.465 6.124 17.996 1.00 0.00 H ATOM 1767 N HIS A 119 32.362 5.265 16.595 1.00 16.59 N ATOM 1768 CA HIS A 119 33.302 4.205 16.244 1.00 18.42 C ATOM 1769 C HIS A 119 32.597 2.856 16.101 1.00 17.61 C ATOM 1770 O HIS A 119 31.721 2.517 16.891 1.00 18.08 O ATOM 1771 CB HIS A 119 34.395 4.139 17.330 1.00 18.62 C ATOM 1772 CG HIS A 119 35.071 2.807 17.459 1.00 20.84 C ATOM 1773 ND1 HIS A 119 36.082 2.396 16.617 1.00 22.32 N ATOM 1774 CD2 HIS A 119 34.924 1.820 18.377 1.00 20.91 C ATOM 1775 CE1 HIS A 119 36.534 1.219 17.014 1.00 23.07 C ATOM 1776 NE2 HIS A 119 35.848 0.848 18.081 1.00 20.89 N ATOM 1777 HA HIS A 119 33.752 4.431 15.277 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.155 4.884 17.093 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.936 4.382 18.289 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.206 1.801 19.197 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.336 0.651 16.542 1.00 0.00 H ATOM 1782 H HIS A 119 31.440 5.011 17.004 1.00 0.00 H ATOM 1783 N PHE A 120 32.956 2.099 15.069 1.00 16.70 N ATOM 1784 CA PHE A 120 32.369 0.776 14.881 1.00 16.05 C ATOM 1785 C PHE A 120 33.364 -0.185 15.521 1.00 17.07 C ATOM 1786 O PHE A 120 34.501 -0.299 15.061 1.00 16.86 O ATOM 1787 CB PHE A 120 32.235 0.437 13.399 1.00 17.22 C ATOM 1788 CG PHE A 120 31.479 -0.834 13.151 1.00 15.75 C ATOM 1789 CD1 PHE A 120 30.102 -0.808 12.940 1.00 18.62 C ATOM 1790 CD2 PHE A 120 32.135 -2.064 13.165 1.00 17.35 C ATOM 1791 CE1 PHE A 120 29.385 -1.987 12.745 1.00 17.65 C ATOM 1792 CE2 PHE A 120 31.420 -3.257 12.969 1.00 16.79 C ATOM 1793 CZ PHE A 120 30.043 -3.211 12.759 1.00 17.14 C ATOM 1794 HA PHE A 120 31.371 0.720 15.317 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.712 1.254 12.902 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.234 0.335 12.975 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.212 -2.100 13.329 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.940 -4.215 12.981 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.483 -4.134 12.606 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.308 -1.949 12.581 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.578 0.148 12.927 1.00 0.00 H ATOM 1802 H PHE A 120 33.661 2.452 14.390 1.00 0.00 H ATOM 1803 N ASP A 121 32.944 -0.886 16.569 1.00 14.69 N ATOM 1804 CA ASP A 121 33.858 -1.779 17.262 1.00 15.94 C ATOM 1805 C ASP A 121 33.892 -3.205 16.754 1.00 15.70 C ATOM 1806 O ASP A 121 34.970 -3.761 16.541 1.00 17.92 O ATOM 1807 CB ASP A 121 33.546 -1.783 18.757 1.00 14.21 C ATOM 1808 CG ASP A 121 34.765 -2.107 19.609 1.00 18.58 C ATOM 1809 OD1 ASP A 121 35.816 -1.476 19.387 1.00 19.20 O ATOM 1810 OD2 ASP A 121 34.662 -2.974 20.503 1.00 17.31 O ATOM 1811 HA ASP A 121 34.850 -1.375 17.058 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.175 -0.798 19.039 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.776 -2.529 18.951 1.00 0.00 H ATOM 1814 H ASP A 121 31.960 -0.796 16.894 1.00 0.00 H ATOM 1815 N ALA A 122 32.724 -3.803 16.569 1.00 14.79 N ATOM 1816 CA ALA A 122 32.667 -5.186 16.109 1.00 17.97 C ATOM 1817 C ALA A 122 31.259 -5.616 15.729 1.00 17.81 C ATOM 1818 O ALA A 122 30.300 -4.869 15.888 1.00 17.88 O ATOM 1819 CB ALA A 122 33.209 -6.110 17.200 1.00 19.53 C ATOM 1820 HA ALA A 122 33.281 -5.256 15.211 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.242 -5.843 17.421 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.604 -6.001 18.100 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.166 -7.143 16.854 1.00 0.00 H ATOM 1824 H ALA A 122 31.842 -3.283 16.753 1.00 0.00 H ATOM 1825 N SER A 123 31.154 -6.833 15.206 1.00 19.77 N ATOM 1826 CA SER A 123 29.873 -7.412 14.837 1.00 20.97 C ATOM 1827 C SER A 123 29.938 -8.821 15.412 1.00 22.33 C ATOM 1828 O SER A 123 31.004 -9.439 15.410 1.00 23.22 O ATOM 1829 CB SER A 123 29.706 -7.455 13.311 1.00 21.17 C ATOM 1830 OG SER A 123 30.643 -8.333 12.709 1.00 22.60 O ATOM 1831 HA SER A 123 29.027 -6.837 15.213 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.852 -6.452 12.910 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.698 -7.796 13.074 1.00 0.00 H ATOM 1834 HG SER A 123 31.561 -8.026 12.915 1.00 0.00 H ATOM 1835 H SER A 123 32.019 -7.391 15.055 1.00 0.00 H ATOM 1836 N VAL A 124 28.818 -9.314 15.930 1.00 22.82 N ATOM 1837 CA VAL A 124 28.790 -10.653 16.512 1.00 25.16 C ATOM 1838 C VAL A 124 27.500 -11.403 16.187 1.00 26.26 C ATOM 1839 O VAL A 124 26.532 -10.764 15.723 1.00 27.95 O ATOM 1840 CB VAL A 124 28.926 -10.602 18.049 1.00 24.51 C ATOM 1841 CG1 VAL A 124 30.176 -9.831 18.444 1.00 25.78 C ATOM 1842 CG2 VAL A 124 27.690 -9.967 18.651 1.00 25.95 C ATOM 1843 HA VAL A 124 29.636 -11.180 16.071 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.470 -12.629 16.427 1.00 29.21 O ATOM 1845 HB VAL A 124 29.020 -11.618 18.434 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.053 -10.324 18.025 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.111 -8.814 18.058 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.257 -9.805 19.531 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.578 -8.954 18.264 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.813 -10.558 18.385 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.792 -9.934 19.736 1.00 0.00 H ATOM 1852 H VAL A 124 27.951 -8.739 15.921 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 38.031 22.868 7.069 1.00 40.76 O HETATM 1855 O HOH 2 33.900 21.078 8.275 1.00 63.89 O HETATM 1856 O HOH 3 37.989 23.778 8.989 1.00 49.29 O HETATM 1857 O HOH 4 26.325 14.998 17.026 1.00 41.35 O HETATM 1858 O HOH 5 23.925 16.757 16.467 1.00 63.84 O HETATM 1859 O HOH 6 22.542 13.817 15.929 1.00 37.43 O HETATM 1860 O HOH 7 33.582 16.798 4.070 1.00 46.42 O HETATM 1861 O HOH 8 33.139 19.547 10.956 1.00 36.89 O HETATM 1862 O HOH 9 27.718 16.115 13.545 1.00 49.69 O HETATM 1863 O HOH 10 28.681 16.143 15.889 1.00 47.64 O HETATM 1864 O HOH 11 30.801 17.288 10.560 1.00 38.61 O HETATM 1865 O HOH 12 24.897 12.950 15.131 1.00 30.97 O HETATM 1866 O HOH 13 33.848 15.517 16.896 1.00 44.74 O HETATM 1867 O HOH 14 30.933 13.885 17.114 1.00 32.55 O HETATM 1868 O HOH 15 29.223 12.334 7.058 1.00 31.26 O HETATM 1869 O HOH 16 21.277 -5.082 -4.770 1.00 49.89 O HETATM 1870 O HOH 17 26.228 14.066 12.545 1.00 49.13 O HETATM 1871 O HOH 18 36.700 12.902 4.133 1.00 40.27 O HETATM 1872 O HOH 19 33.794 5.812 12.635 1.00 22.54 O HETATM 1873 O HOH 20 24.463 1.410 -1.193 1.00 44.53 O HETATM 1874 O HOH 21 17.229 -2.473 15.387 1.00 28.68 O HETATM 1875 O HOH 22 20.554 -5.613 -2.935 1.00 69.68 O HETATM 1876 O HOH 23 24.402 -7.186 29.699 1.00 45.59 O HETATM 1877 O HOH 24 25.816 -10.287 -4.548 1.00 31.48 O HETATM 1878 O HOH 25 34.268 -9.374 -3.089 1.00 42.72 O HETATM 1879 O HOH 26 28.493 5.072 32.257 1.00 38.45 O HETATM 1880 O HOH 27 29.226 -11.823 21.567 1.00 32.02 O HETATM 1881 O HOH 28 28.734 -9.208 25.991 1.00 29.89 O HETATM 1882 O HOH 29 37.477 -7.259 -5.151 1.00 45.00 O HETATM 1883 O HOH 30 35.390 -4.339 -7.917 1.00 45.67 O HETATM 1884 O HOH 31 46.726 9.813 6.587 1.00 48.32 O HETATM 1885 O HOH 32 41.921 1.187 10.347 1.00 37.87 O HETATM 1886 O HOH 33 46.556 -1.189 3.965 1.00 40.64 O HETATM 1887 O HOH 34 47.831 0.723 2.149 1.00 32.55 O HETATM 1888 O HOH 35 23.941 -15.722 16.499 1.00 64.46 O HETATM 1889 O HOH 36 40.831 -0.991 9.468 1.00 25.90 O HETATM 1890 O HOH 37 17.774 -6.195 8.626 1.00 49.72 O HETATM 1891 O HOH 38 16.717 0.113 9.496 1.00 30.05 O HETATM 1892 O HOH 39 16.995 1.833 5.696 1.00 54.25 O HETATM 1893 O HOH 40 17.081 6.612 17.139 1.00 29.84 O HETATM 1894 O HOH 41 16.654 7.280 10.090 1.00 35.29 O HETATM 1895 O HOH 42 13.155 -0.069 14.565 1.00 40.54 O HETATM 1896 O HOH 43 17.806 -0.018 16.737 1.00 25.88 O HETATM 1897 O HOH 44 17.848 9.531 16.440 1.00 50.82 O HETATM 1898 O HOH 45 24.947 10.484 14.178 1.00 37.22 O HETATM 1899 O HOH 46 18.419 11.572 13.744 1.00 42.19 O HETATM 1900 O HOH 47 22.962 4.690 26.744 1.00 33.32 O HETATM 1901 O HOH 48 22.064 1.570 27.467 1.00 41.44 O HETATM 1902 O HOH 49 18.256 -3.413 17.920 1.00 24.35 O HETATM 1903 O HOH 50 22.183 -9.704 27.754 1.00 27.43 O HETATM 1904 O HOH 51 24.716 -4.672 29.386 1.00 32.19 O HETATM 1905 O HOH 52 28.071 -6.095 29.398 1.00 32.96 O HETATM 1906 O HOH 53 25.302 0.693 31.574 1.00 30.80 O HETATM 1907 O HOH 54 30.744 -6.171 28.932 1.00 26.79 O HETATM 1908 O HOH 55 32.251 -6.951 24.966 1.00 18.50 O HETATM 1909 O HOH 56 41.061 -6.295 22.475 1.00 34.91 O HETATM 1910 O HOH 57 36.429 2.283 21.053 1.00 28.61 O HETATM 1911 O HOH 58 36.250 3.842 23.456 1.00 47.66 O HETATM 1912 O HOH 59 30.552 4.504 29.328 1.00 29.84 O HETATM 1913 O HOH 60 32.728 4.419 32.906 1.00 47.29 O HETATM 1914 O HOH 61 34.846 5.792 21.963 1.00 24.58 O HETATM 1915 O HOH 62 24.724 4.358 28.451 1.00 45.82 O HETATM 1916 O HOH 63 22.322 -8.431 21.239 1.00 45.83 O HETATM 1917 O HOH 64 29.245 -9.410 22.785 1.00 23.41 O HETATM 1918 O HOH 65 18.830 -5.752 26.896 1.00 56.49 O HETATM 1919 O HOH 66 20.268 -5.118 28.164 1.00 18.90 O HETATM 1920 O HOH 67 13.753 -7.089 16.236 1.00 49.76 O HETATM 1921 O HOH 68 17.011 -9.526 14.930 1.00 38.50 O HETATM 1922 O HOH 69 46.065 -4.187 -6.453 1.00 46.46 O HETATM 1923 O HOH 70 42.558 -6.566 -7.530 1.00 45.57 O HETATM 1924 O HOH 71 48.059 -1.086 0.071 1.00 41.01 O HETATM 1925 O HOH 72 43.363 5.080 -3.814 1.00 38.98 O HETATM 1926 O HOH 73 48.614 0.742 -13.274 1.00 52.46 O HETATM 1927 O HOH 74 35.030 -5.380 -3.370 1.00 30.72 O HETATM 1928 O HOH 75 34.993 -9.360 3.698 1.00 32.27 O HETATM 1929 O HOH 76 20.049 -13.383 4.514 1.00 46.23 O HETATM 1930 O HOH 77 23.949 -13.689 13.031 1.00 51.99 O HETATM 1931 O HOH 78 31.222 7.778 26.110 1.00 15.04 O HETATM 1932 O HOH 79 33.871 11.298 19.362 1.00 47.47 O HETATM 1933 O HOH 80 29.682 12.843 19.522 1.00 27.54 O HETATM 1934 O HOH 81 25.129 12.992 26.539 1.00 26.69 O HETATM 1935 O HOH 82 31.825 13.581 21.872 1.00 43.32 O HETATM 1936 O HOH 83 29.307 16.746 22.984 1.00 37.18 O HETATM 1937 O HOH 84 27.213 14.529 19.659 1.00 21.97 O HETATM 1938 O HOH 85 21.417 8.922 22.374 1.00 35.34 O HETATM 1939 O HOH 86 27.204 9.029 14.030 1.00 21.24 O HETATM 1940 O HOH 87 34.238 8.577 14.014 1.00 27.65 O HETATM 1941 O HOH 88 37.664 -0.627 21.160 1.00 20.78 O HETATM 1942 O HOH 89 33.255 -5.057 21.740 1.00 18.44 O HETATM 1943 O HOH 90 34.050 -7.942 14.303 1.00 42.23 O HETATM 1944 O HOH 91 26.152 -14.281 14.247 1.00 48.96 O HETATM 1945 O HOH 92 24.101 -12.600 14.917 1.00 48.12 O HETATM 1946 O HOH 93 31.278 -13.890 17.643 1.00 41.63 O HETATM 1947 O HOH 94 37.616 -2.427 16.819 1.00 43.15 O HETATM 1948 O HOH 95 32.171 -6.592 11.298 1.00 35.00 O HETATM 1949 N1 UA A 3 36.503 -2.084 11.711 1.00 -0.16 N HETATM 1950 C2 UA A 3 35.210 -2.157 11.115 1.00 0.33 C HETATM 1951 O2 UA A 3 34.738 -1.253 10.524 1.00 -0.38 O HETATM 1952 N3 UA A 3 34.584 -3.397 11.305 1.00 -0.19 N HETATM 1953 C4 UA A 3 35.079 -4.524 11.999 1.00 0.18 C HETATM 1954 O4 UA A 3 34.381 -5.512 12.054 1.00 -0.41 O HETATM 1955 C5 UA A 3 36.401 -4.353 12.579 1.00 0.01 C HETATM 1956 C6 UA A 3 37.056 -3.188 12.429 1.00 0.06 C HETATM 1957 H3 UA A 3 38.045 -3.082 12.872 1.00 0.12 H HETATM 1958 H2 UA A 3 36.861 -5.168 13.135 1.00 0.03 H HETATM 1959 H1 UA A 3 33.675 -3.496 10.899 1.00 0.23 H HETATM 1960 C1 UA A 3 37.181 -0.862 11.577 1.00 0.21 C HETATM 1961 O4 UA A 3 38.734 -0.959 11.693 1.00 -0.34 O HETATM 1962 C4 UA A 3 38.937 0.320 12.285 1.00 0.12 C HETATM 1963 C5 UA A 3 40.223 0.596 12.517 1.00 0.07 C HETATM 1964 O5 UA A 3 40.777 0.336 13.964 1.00 -0.39 O HETATM 1965 H4 UA A 3 41.697 0.571 13.997 1.00 0.21 H HETATM 1966 H5 UA A 3 40.820 -0.013 11.822 1.00 0.06 H HETATM 1967 H6 UA A 3 40.375 1.662 12.294 1.00 0.06 H HETATM 1968 C3 UA A 3 38.033 1.171 12.879 1.00 0.15 C HETATM 1969 O3 UA A 3 37.313 2.450 12.414 1.00 -0.27 O HETATM 1970 P UA A 3 36.674 3.571 13.193 1.00 0.20 P HETATM 1971 O3P UA A 3 35.124 3.180 13.313 1.00 -0.55 O HETATM 1972 O1P UA A 3 36.906 4.864 12.468 1.00 -0.55 O HETATM 1973 O2P UA A 3 37.269 3.614 14.575 1.00 -0.55 O HETATM 1974 C2 UA A 3 36.882 -0.127 13.065 1.00 0.14 C HETATM 1975 O2 UA A 3 37.063 -0.815 14.546 1.00 -0.38 O HETATM 1976 H10 UA A 3 36.435 -1.521 14.645 1.00 0.21 H HETATM 1977 H9 UA A 3 35.849 0.251 13.046 1.00 0.07 H HETATM 1978 H8 UA A 3 38.472 1.466 13.843 1.00 0.07 H HETATM 1979 H7 UA A 3 38.877 0.844 11.320 1.00 0.07 H HETATM 1980 H11 UA A 3 36.851 -0.299 10.691 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 1949 1950 1956 1960 CONECT 1950 1949 1951 1952 CONECT 1951 1950 CONECT 1952 1950 1953 1959 CONECT 1953 1952 1954 1955 CONECT 1954 1953 CONECT 1955 1953 1956 1958 CONECT 1956 1949 1955 1957 CONECT 1957 1956 CONECT 1958 1955 CONECT 1959 1952 CONECT 1960 1949 1961 1974 1980 CONECT 1961 1960 1962 CONECT 1962 1961 1963 1968 1979 CONECT 1963 1962 1964 1966 1967 CONECT 1964 1963 1965 CONECT 1965 1964 CONECT 1966 1963 CONECT 1967 1963 CONECT 1968 1962 1969 1974 1978 CONECT 1969 1968 1970 CONECT 1970 1969 1971 1972 1973 CONECT 1971 1970 CONECT 1972 1970 CONECT 1973 1970 CONECT 1974 1960 1968 1975 1977 CONECT 1975 1974 1976 CONECT 1976 1975 CONECT 1977 1974 CONECT 1978 1968 CONECT 1979 1962 CONECT 1980 1960 MASTER 0 0 0 0 0 0 0 0 1979 1 44 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3djp
RCSB PDB
PDBbind
UA3
Entry Information
PDB ID
1w4o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
UA3
EC.Number
E.C.3.1.27.5
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=6uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
FEBS J.v272;pp.744
Ligand Properties
Formula
C
9
H
1
4
N
2
O
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
OC[C@H]1O[C@H]([C@H]([C@@H]1OP(O)(O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/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
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