Browse entries in the PDBbind-CN Database
HEADER 1RNM_COMPLEX COMPND 1RNM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 E 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 E 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 E 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 E 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 E 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 E 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 E 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 E 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 E 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 E 124 VAL HIS PHE ASP ALA SER VAL HET C A 5P 33 SSBOND 1 CYS E 65 CYS E 72 SSBOND 2 CYS E 26 CYS E 84 SSBOND 3 CYS E 40 CYS E 95 SSBOND 4 CYS E 58 CYS E 110 ATOM 1 N LYS E 1 23.348 -1.437 21.726 1.00 43.59 N ATOM 2 CA LYS E 1 22.978 -0.329 20.797 1.00 42.06 C ATOM 3 C LYS E 1 23.992 0.814 20.876 1.00 38.36 C ATOM 4 O LYS E 1 24.874 0.990 20.039 1.00 40.42 O ATOM 5 CB LYS E 1 21.596 0.211 21.183 1.00 46.24 C ATOM 6 CG LYS E 1 21.153 1.524 20.549 1.00 49.97 C ATOM 7 CD LYS E 1 19.818 2.007 21.079 1.00 51.25 C ATOM 8 CE LYS E 1 19.736 2.115 22.582 1.00 55.18 C ATOM 9 NZ LYS E 1 20.520 3.235 23.190 1.00 54.61 N ATOM 10 HA LYS E 1 22.968 -0.721 19.780 1.00 0.00 H ATOM 11 HB2 LYS E 1 20.861 -0.547 20.912 1.00 0.00 H ATOM 12 HB3 LYS E 1 21.590 0.351 22.264 1.00 0.00 H ATOM 13 HG2 LYS E 1 21.907 2.284 20.756 1.00 0.00 H ATOM 14 HG3 LYS E 1 21.070 1.381 19.472 1.00 0.00 H ATOM 15 HD2 LYS E 1 19.621 2.992 20.657 1.00 0.00 H ATOM 16 HD3 LYS E 1 19.049 1.310 20.746 1.00 0.00 H ATOM 17 HE2 LYS E 1 20.101 1.180 23.007 1.00 0.00 H ATOM 18 HE3 LYS E 1 18.689 2.252 22.853 1.00 0.00 H ATOM 19 HZ1 LYS E 1 21.527 3.118 22.958 1.00 0.00 H ATOM 20 HZ2 LYS E 1 20.179 4.141 22.811 1.00 0.00 H ATOM 21 HZ3 LYS E 1 20.397 3.222 24.223 1.00 0.00 H ATOM 22 HN3 LYS E 1 23.370 -1.077 22.701 1.00 0.00 H ATOM 23 HN2 LYS E 1 24.286 -1.804 21.469 1.00 0.00 H ATOM 24 HN1 LYS E 1 22.644 -2.199 21.653 1.00 0.00 H ATOM 25 N GLU E 2 23.841 1.587 21.928 1.00 30.32 N ATOM 26 CA GLU E 2 24.658 2.752 22.236 1.00 24.18 C ATOM 27 C GLU E 2 24.733 2.758 23.759 1.00 21.30 C ATOM 28 O GLU E 2 23.687 2.468 24.361 1.00 20.68 O ATOM 29 CB GLU E 2 23.838 3.946 21.765 1.00 23.45 C ATOM 30 CG GLU E 2 24.540 5.219 21.445 1.00 25.10 C ATOM 31 CD GLU E 2 23.611 6.282 20.856 1.00 26.65 C ATOM 32 OE1 GLU E 2 22.381 6.196 21.079 1.00 24.17 O ATOM 33 OE2 GLU E 2 24.159 7.208 20.202 1.00 26.32 O ATOM 34 HA GLU E 2 25.650 2.764 21.785 1.00 0.00 H ATOM 35 HB2 GLU E 2 23.310 3.636 20.863 1.00 0.00 H ATOM 36 HB3 GLU E 2 23.115 4.168 22.550 1.00 0.00 H ATOM 37 HG2 GLU E 2 24.982 5.612 22.361 1.00 0.00 H ATOM 38 HG3 GLU E 2 25.329 5.009 20.723 1.00 0.00 H ATOM 39 H GLU E 2 23.078 1.348 22.593 1.00 0.00 H ATOM 40 N THR E 3 25.875 2.996 24.387 1.00 19.39 N ATOM 41 CA THR E 3 25.869 2.985 25.858 1.00 17.94 C ATOM 42 C THR E 3 25.104 4.207 26.361 1.00 18.17 C ATOM 43 O THR E 3 24.809 5.128 25.590 1.00 18.56 O ATOM 44 CB THR E 3 27.277 3.025 26.446 1.00 14.99 C ATOM 45 OG1 THR E 3 27.910 4.213 25.949 1.00 16.35 O ATOM 46 CG2 THR E 3 28.110 1.820 26.028 1.00 15.04 C ATOM 47 HA THR E 3 25.395 2.056 26.176 1.00 0.00 H ATOM 48 HB THR E 3 27.206 3.013 27.534 1.00 0.00 H ATOM 49 HG1 THR E 3 28.829 4.272 26.312 1.00 0.00 H ATOM 50 HG23 THR E 3 27.641 0.909 26.399 1.00 0.00 H ATOM 51 HG21 THR E 3 28.171 1.782 24.940 1.00 0.00 H ATOM 52 HG22 THR E 3 29.112 1.910 26.446 1.00 0.00 H ATOM 53 H THR E 3 26.749 3.185 23.856 1.00 0.00 H ATOM 54 N ALA E 4 24.757 4.230 27.656 1.00 17.74 N ATOM 55 CA ALA E 4 24.022 5.378 28.185 1.00 15.50 C ATOM 56 C ALA E 4 24.908 6.629 28.074 1.00 15.76 C ATOM 57 O ALA E 4 24.409 7.720 27.773 1.00 15.33 O ATOM 58 CB ALA E 4 23.667 5.162 29.643 1.00 14.54 C ATOM 59 HA ALA E 4 23.103 5.502 27.611 1.00 0.00 H ATOM 60 HB1 ALA E 4 23.045 4.272 29.736 1.00 0.00 H ATOM 61 HB2 ALA E 4 24.581 5.031 30.223 1.00 0.00 H ATOM 62 HB3 ALA E 4 23.121 6.029 30.015 1.00 0.00 H ATOM 63 H ALA E 4 25.009 3.437 28.280 1.00 0.00 H ATOM 64 N ALA E 5 26.217 6.475 28.316 1.00 14.27 N ATOM 65 CA ALA E 5 27.083 7.657 28.251 1.00 13.83 C ATOM 66 C ALA E 5 27.228 8.192 26.838 1.00 15.41 C ATOM 67 O ALA E 5 27.326 9.408 26.623 1.00 13.26 O ATOM 68 CB ALA E 5 28.461 7.385 28.820 1.00 10.96 C ATOM 69 HA ALA E 5 26.588 8.413 28.861 1.00 0.00 H ATOM 70 HB1 ALA E 5 28.369 7.087 29.865 1.00 0.00 H ATOM 71 HB2 ALA E 5 28.935 6.584 28.253 1.00 0.00 H ATOM 72 HB3 ALA E 5 29.066 8.289 28.750 1.00 0.00 H ATOM 73 H ALA E 5 26.610 5.539 28.545 1.00 0.00 H ATOM 74 N ALA E 6 27.310 7.299 25.838 1.00 17.33 N ATOM 75 CA ALA E 6 27.467 7.720 24.439 1.00 14.83 C ATOM 76 C ALA E 6 26.194 8.368 23.923 1.00 15.30 C ATOM 77 O ALA E 6 26.312 9.288 23.105 1.00 15.48 O ATOM 78 CB ALA E 6 27.828 6.549 23.537 1.00 11.01 C ATOM 79 HA ALA E 6 28.281 8.444 24.417 1.00 0.00 H ATOM 80 HB1 ALA E 6 28.768 6.110 23.872 1.00 0.00 H ATOM 81 HB2 ALA E 6 27.039 5.799 23.584 1.00 0.00 H ATOM 82 HB3 ALA E 6 27.935 6.902 22.511 1.00 0.00 H ATOM 83 H ALA E 6 27.261 6.284 26.059 1.00 0.00 H ATOM 84 N LYS E 7 25.016 7.941 24.380 1.00 13.54 N ATOM 85 CA LYS E 7 23.749 8.510 23.975 1.00 14.87 C ATOM 86 C LYS E 7 23.595 9.948 24.452 1.00 13.79 C ATOM 87 O LYS E 7 23.116 10.834 23.739 1.00 14.34 O ATOM 88 CB LYS E 7 22.607 7.669 24.537 1.00 17.92 C ATOM 89 CG LYS E 7 21.236 8.169 24.079 1.00 22.36 C ATOM 90 CD LYS E 7 20.192 7.157 24.498 1.00 28.16 C ATOM 91 CE LYS E 7 18.781 7.669 24.289 1.00 32.79 C ATOM 92 NZ LYS E 7 17.833 7.015 25.269 1.00 40.75 N ATOM 93 HA LYS E 7 23.719 8.510 22.885 1.00 0.00 H ATOM 94 HB2 LYS E 7 22.734 6.639 24.204 1.00 0.00 H ATOM 95 HB3 LYS E 7 22.648 7.705 25.626 1.00 0.00 H ATOM 96 HG2 LYS E 7 21.022 9.132 24.542 1.00 0.00 H ATOM 97 HG3 LYS E 7 21.228 8.279 22.995 1.00 0.00 H ATOM 98 HD2 LYS E 7 20.327 6.249 23.910 1.00 0.00 H ATOM 99 HD3 LYS E 7 20.329 6.928 25.555 1.00 0.00 H ATOM 100 HE2 LYS E 7 18.462 7.439 23.272 1.00 0.00 H ATOM 101 HE3 LYS E 7 18.764 8.749 24.439 1.00 0.00 H ATOM 102 HZ1 LYS E 7 17.845 5.985 25.126 1.00 0.00 H ATOM 103 HZ2 LYS E 7 18.134 7.235 26.240 1.00 0.00 H ATOM 104 HZ3 LYS E 7 16.871 7.377 25.112 1.00 0.00 H ATOM 105 H LYS E 7 25.008 7.157 25.064 1.00 0.00 H ATOM 106 N PHE E 8 24.038 10.215 25.668 1.00 13.72 N ATOM 107 CA PHE E 8 24.018 11.545 26.270 1.00 11.57 C ATOM 108 C PHE E 8 24.967 12.449 25.472 1.00 12.92 C ATOM 109 O PHE E 8 24.645 13.620 25.217 1.00 12.95 O ATOM 110 CB PHE E 8 24.494 11.505 27.721 1.00 10.63 C ATOM 111 CG PHE E 8 24.639 12.847 28.368 1.00 8.65 C ATOM 112 CD1 PHE E 8 25.823 13.546 28.283 1.00 11.41 C ATOM 113 CD2 PHE E 8 23.582 13.415 29.042 1.00 11.93 C ATOM 114 CE1 PHE E 8 25.984 14.802 28.852 1.00 13.00 C ATOM 115 CE2 PHE E 8 23.713 14.677 29.624 1.00 11.79 C ATOM 116 CZ PHE E 8 24.908 15.370 29.526 1.00 13.65 C ATOM 117 HA PHE E 8 22.995 11.922 26.251 1.00 0.00 H ATOM 118 HB2 PHE E 8 23.775 10.925 28.299 1.00 0.00 H ATOM 119 HB3 PHE E 8 25.464 11.008 27.747 1.00 0.00 H ATOM 120 HD2 PHE E 8 22.638 12.877 29.122 1.00 0.00 H ATOM 121 HE2 PHE E 8 22.871 15.119 30.158 1.00 0.00 H ATOM 122 HZ PHE E 8 25.005 16.358 29.976 1.00 0.00 H ATOM 123 HE1 PHE E 8 26.933 15.332 28.772 1.00 0.00 H ATOM 124 HD1 PHE E 8 26.662 13.098 27.751 1.00 0.00 H ATOM 125 H PHE E 8 24.424 9.430 26.230 1.00 0.00 H ATOM 126 N GLU E 9 26.161 11.971 25.132 1.00 10.46 N ATOM 127 CA GLU E 9 27.080 12.801 24.367 1.00 13.90 C ATOM 128 C GLU E 9 26.496 13.165 23.001 1.00 14.32 C ATOM 129 O GLU E 9 26.575 14.347 22.602 1.00 14.87 O ATOM 130 CB GLU E 9 28.402 12.057 24.125 1.00 15.24 C ATOM 131 CG GLU E 9 29.262 11.920 25.348 1.00 16.96 C ATOM 132 CD GLU E 9 30.361 10.880 25.282 1.00 17.44 C ATOM 133 OE1 GLU E 9 30.457 10.022 24.393 1.00 18.27 O ATOM 134 OE2 GLU E 9 31.175 10.926 26.237 1.00 21.39 O ATOM 135 HA GLU E 9 27.249 13.707 24.949 1.00 0.00 H ATOM 136 HB2 GLU E 9 28.170 11.058 23.756 1.00 0.00 H ATOM 137 HB3 GLU E 9 28.967 12.601 23.368 1.00 0.00 H ATOM 138 HG2 GLU E 9 29.730 12.887 25.535 1.00 0.00 H ATOM 139 HG3 GLU E 9 28.612 11.664 26.185 1.00 0.00 H ATOM 140 H GLU E 9 26.437 11.008 25.412 1.00 0.00 H ATOM 141 N ARG E 10 25.915 12.227 22.262 1.00 14.23 N ATOM 142 CA ARG E 10 25.344 12.477 20.954 1.00 14.62 C ATOM 143 C ARG E 10 24.153 13.449 21.046 1.00 17.72 C ATOM 144 O ARG E 10 24.068 14.358 20.196 1.00 17.04 O ATOM 145 CB ARG E 10 24.809 11.198 20.333 1.00 14.23 C ATOM 146 CG ARG E 10 24.084 11.374 19.013 1.00 15.12 C ATOM 147 CD ARG E 10 23.674 10.050 18.424 1.00 14.84 C ATOM 148 NE ARG E 10 22.781 9.220 19.209 1.00 14.85 N ATOM 149 CZ ARG E 10 21.478 9.362 19.346 1.00 14.67 C ATOM 150 NH1 ARG E 10 20.819 10.345 18.731 1.00 16.14 N ATOM 151 NH2 ARG E 10 20.792 8.549 20.131 1.00 15.88 N ATOM 152 HA ARG E 10 26.146 12.897 20.347 1.00 0.00 H ATOM 153 HB2 ARG E 10 25.651 10.525 20.168 1.00 0.00 H ATOM 154 HB3 ARG E 10 24.116 10.744 21.041 1.00 0.00 H ATOM 155 HG2 ARG E 10 23.193 11.980 19.177 1.00 0.00 H ATOM 156 HG3 ARG E 10 24.744 11.884 18.312 1.00 0.00 H ATOM 157 HD2 ARG E 10 24.583 9.475 18.245 1.00 0.00 H ATOM 158 HD3 ARG E 10 23.181 10.253 17.473 1.00 0.00 H ATOM 159 HE ARG E 10 23.216 8.426 19.720 1.00 0.00 H ATOM 160 HH12 ARG E 10 19.790 10.438 18.854 1.00 0.00 H ATOM 161 HH11 ARG E 10 21.334 11.019 18.129 1.00 0.00 H ATOM 162 HH22 ARG E 10 19.764 8.669 20.233 1.00 0.00 H ATOM 163 HH21 ARG E 10 21.280 7.789 20.647 1.00 0.00 H ATOM 164 H ARG E 10 25.867 11.260 22.643 1.00 0.00 H ATOM 165 N GLN E 11 23.270 13.261 22.040 1.00 15.11 N ATOM 166 CA GLN E 11 22.112 14.142 22.177 1.00 13.21 C ATOM 167 C GLN E 11 22.361 15.507 22.785 1.00 14.50 C ATOM 168 O GLN E 11 21.626 16.450 22.478 1.00 14.73 O ATOM 169 CB GLN E 11 21.121 13.494 23.151 1.00 13.19 C ATOM 170 CG GLN E 11 20.464 12.233 22.621 1.00 13.80 C ATOM 171 CD GLN E 11 19.273 11.886 23.484 1.00 18.02 C ATOM 172 OE1 GLN E 11 18.154 11.823 22.994 1.00 26.45 O ATOM 173 NE2 GLN E 11 19.437 11.716 24.779 1.00 17.99 N ATOM 174 HA GLN E 11 21.774 14.278 21.150 1.00 0.00 H ATOM 175 HB2 GLN E 11 21.656 13.242 24.067 1.00 0.00 H ATOM 176 HB3 GLN E 11 20.339 14.219 23.376 1.00 0.00 H ATOM 177 HG2 GLN E 11 20.134 12.398 21.595 1.00 0.00 H ATOM 178 HG3 GLN E 11 21.181 11.412 22.643 1.00 0.00 H ATOM 179 HE22 GLN E 11 20.389 11.770 25.194 1.00 0.00 H ATOM 180 HE21 GLN E 11 18.615 11.528 25.387 1.00 0.00 H ATOM 181 H GLN E 11 23.411 12.484 22.716 1.00 0.00 H ATOM 182 N HIS E 12 23.372 15.700 23.648 1.00 15.20 N ATOM 183 CA HIS E 12 23.559 16.990 24.308 1.00 14.94 C ATOM 184 C HIS E 12 24.862 17.701 24.197 1.00 15.03 C ATOM 185 O HIS E 12 24.914 18.883 24.589 1.00 15.64 O ATOM 186 CB HIS E 12 23.277 16.763 25.832 1.00 13.38 C ATOM 187 CG HIS E 12 21.902 16.223 26.080 1.00 11.89 C ATOM 188 ND1 HIS E 12 20.760 16.962 25.890 1.00 9.09 N ATOM 189 CD2 HIS E 12 21.469 14.984 26.472 1.00 11.82 C ATOM 190 CE1 HIS E 12 19.694 16.229 26.165 1.00 11.07 C ATOM 191 NE2 HIS E 12 20.107 15.024 26.512 1.00 11.39 N ATOM 192 HA HIS E 12 22.878 17.651 23.772 1.00 0.00 H ATOM 193 HB2 HIS E 12 24.008 16.055 26.223 1.00 0.00 H ATOM 194 HB3 HIS E 12 23.380 17.715 26.354 1.00 0.00 H ATOM 195 HD2 HIS E 12 22.097 14.125 26.708 1.00 0.00 H ATOM 196 HE1 HIS E 12 18.657 16.561 26.114 1.00 0.00 H ATOM 197 H HIS E 12 24.031 14.921 23.849 1.00 0.00 H ATOM 198 N MET E 13 25.961 17.115 23.713 1.00 14.89 N ATOM 199 CA MET E 13 27.202 17.877 23.654 1.00 14.32 C ATOM 200 C MET E 13 27.530 18.547 22.340 1.00 13.49 C ATOM 201 O MET E 13 27.438 17.956 21.248 1.00 15.62 O ATOM 202 CB MET E 13 28.383 16.933 23.968 1.00 13.47 C ATOM 203 CG MET E 13 28.265 16.308 25.361 1.00 15.43 C ATOM 204 SD MET E 13 28.603 17.507 26.669 1.00 14.37 S ATOM 205 CE MET E 13 29.909 18.485 25.930 1.00 13.48 C ATOM 206 HA MET E 13 27.051 18.677 24.379 1.00 0.00 H ATOM 207 HB2 MET E 13 28.403 16.136 23.225 1.00 0.00 H ATOM 208 HB3 MET E 13 29.312 17.501 23.915 1.00 0.00 H ATOM 209 HG2 MET E 13 28.979 15.488 25.441 1.00 0.00 H ATOM 210 HG3 MET E 13 27.254 15.922 25.490 1.00 0.00 H ATOM 211 HE1 MET E 13 30.760 17.842 25.704 1.00 0.00 H ATOM 212 HE2 MET E 13 29.543 18.942 25.010 1.00 0.00 H ATOM 213 HE3 MET E 13 30.216 19.265 26.627 1.00 0.00 H ATOM 214 H MET E 13 25.931 16.129 23.383 1.00 0.00 H ATOM 215 N ASP E 14 27.943 19.809 22.412 1.00 13.54 N ATOM 216 CA ASP E 14 28.360 20.531 21.209 1.00 15.62 C ATOM 217 C ASP E 14 29.528 21.418 21.641 1.00 16.22 C ATOM 218 O ASP E 14 29.427 22.628 21.673 1.00 16.72 O ATOM 219 CB ASP E 14 27.336 21.361 20.490 1.00 17.47 C ATOM 220 CG ASP E 14 27.861 21.952 19.182 1.00 19.10 C ATOM 221 OD1 ASP E 14 28.924 21.520 18.718 1.00 21.05 O ATOM 222 OD2 ASP E 14 27.234 22.878 18.646 1.00 17.14 O ATOM 223 HA ASP E 14 28.601 19.771 20.466 1.00 0.00 H ATOM 224 HB2 ASP E 14 26.473 20.733 20.267 1.00 0.00 H ATOM 225 HB3 ASP E 14 27.030 22.178 21.143 1.00 0.00 H ATOM 226 H ASP E 14 27.970 20.289 23.334 1.00 0.00 H ATOM 227 N SER E 15 30.624 20.781 22.000 1.00 18.60 N ATOM 228 CA SER E 15 31.809 21.514 22.451 1.00 22.38 C ATOM 229 C SER E 15 32.541 22.213 21.327 1.00 24.14 C ATOM 230 O SER E 15 33.466 22.998 21.556 1.00 25.86 O ATOM 231 CB SER E 15 32.747 20.560 23.197 1.00 23.32 C ATOM 232 OG SER E 15 32.455 19.190 22.929 1.00 29.46 O ATOM 233 HA SER E 15 31.467 22.301 23.123 1.00 0.00 H ATOM 234 HB2 SER E 15 32.647 20.737 24.268 1.00 0.00 H ATOM 235 HB3 SER E 15 33.772 20.766 22.890 1.00 0.00 H ATOM 236 HG SER E 15 33.085 18.615 23.432 1.00 0.00 H ATOM 237 H SER E 15 30.648 19.742 21.963 1.00 0.00 H ATOM 238 N SER E 16 32.160 21.986 20.085 1.00 25.52 N ATOM 239 CA SER E 16 32.797 22.566 18.914 1.00 26.49 C ATOM 240 C SER E 16 32.468 24.032 18.712 1.00 28.04 C ATOM 241 O SER E 16 33.263 24.760 18.091 1.00 30.15 O ATOM 242 CB SER E 16 32.363 21.793 17.653 1.00 27.28 C ATOM 243 OG SER E 16 32.508 20.372 17.868 1.00 28.19 O ATOM 244 HA SER E 16 33.871 22.490 19.081 1.00 0.00 H ATOM 245 HB2 SER E 16 32.986 22.096 16.812 1.00 0.00 H ATOM 246 HB3 SER E 16 31.320 22.020 17.432 1.00 0.00 H ATOM 247 HG SER E 16 31.941 20.095 18.631 1.00 0.00 H ATOM 248 H SER E 16 31.351 21.350 19.933 1.00 0.00 H ATOM 249 N THR E 17 31.346 24.521 19.189 1.00 25.97 N ATOM 250 CA THR E 17 30.946 25.919 19.039 1.00 26.64 C ATOM 251 C THR E 17 30.848 26.499 20.451 1.00 26.54 C ATOM 252 O THR E 17 30.539 25.783 21.412 1.00 26.78 O ATOM 253 CB THR E 17 29.532 26.061 18.457 1.00 28.22 C ATOM 254 OG1 THR E 17 28.646 25.231 19.241 1.00 29.87 O ATOM 255 CG2 THR E 17 29.404 25.555 17.031 1.00 30.26 C ATOM 256 HA THR E 17 31.666 26.410 18.384 1.00 0.00 H ATOM 257 HB THR E 17 29.294 27.125 18.476 1.00 0.00 H ATOM 258 HG1 THR E 17 28.662 25.532 20.184 1.00 0.00 H ATOM 259 HG23 THR E 17 30.051 26.142 16.379 1.00 0.00 H ATOM 260 HG21 THR E 17 29.700 24.507 16.991 1.00 0.00 H ATOM 261 HG22 THR E 17 28.369 25.655 16.703 1.00 0.00 H ATOM 262 H THR E 17 30.708 23.879 19.701 1.00 0.00 H ATOM 263 N SER E 18 31.087 27.789 20.588 1.00 25.67 N ATOM 264 CA SER E 18 31.008 28.392 21.915 1.00 26.96 C ATOM 265 C SER E 18 29.597 28.858 22.229 1.00 24.78 C ATOM 266 O SER E 18 29.292 29.136 23.393 1.00 24.40 O ATOM 267 CB SER E 18 32.003 29.546 22.013 1.00 26.72 C ATOM 268 OG SER E 18 31.435 30.631 21.288 1.00 33.25 O ATOM 269 HA SER E 18 31.268 27.637 22.657 1.00 0.00 H ATOM 270 HB2 SER E 18 32.958 29.258 21.574 1.00 0.00 H ATOM 271 HB3 SER E 18 32.153 29.827 23.055 1.00 0.00 H ATOM 272 HG SER E 18 32.048 31.407 21.324 1.00 0.00 H ATOM 273 H SER E 18 31.329 28.370 19.760 1.00 0.00 H ATOM 274 N ALA E 19 28.738 28.892 21.222 1.00 24.37 N ATOM 275 CA ALA E 19 27.350 29.295 21.399 1.00 25.73 C ATOM 276 C ALA E 19 26.569 29.114 20.098 1.00 28.07 C ATOM 277 O ALA E 19 27.208 28.971 19.065 1.00 26.65 O ATOM 278 CB ALA E 19 27.264 30.762 21.785 1.00 24.77 C ATOM 279 HA ALA E 19 26.928 28.670 22.186 1.00 0.00 H ATOM 280 HB1 ALA E 19 27.801 30.922 22.720 1.00 0.00 H ATOM 281 HB2 ALA E 19 27.711 31.370 20.999 1.00 0.00 H ATOM 282 HB3 ALA E 19 26.218 31.042 21.912 1.00 0.00 H ATOM 283 H ALA E 19 29.066 28.622 20.273 1.00 0.00 H ATOM 284 N ALA E 20 25.240 29.085 20.189 1.00 28.27 N ATOM 285 CA ALA E 20 24.416 28.966 18.993 1.00 31.11 C ATOM 286 C ALA E 20 24.655 30.267 18.202 1.00 35.73 C ATOM 287 O ALA E 20 24.642 31.404 18.686 1.00 35.42 O ATOM 288 CB ALA E 20 22.952 28.818 19.294 1.00 26.82 C ATOM 289 HA ALA E 20 24.692 28.067 18.441 1.00 0.00 H ATOM 290 HB1 ALA E 20 22.794 27.921 19.893 1.00 0.00 H ATOM 291 HB2 ALA E 20 22.606 29.691 19.847 1.00 0.00 H ATOM 292 HB3 ALA E 20 22.397 28.734 18.360 1.00 0.00 H ATOM 293 H ALA E 20 24.786 29.148 21.123 1.00 0.00 H ATOM 294 N SER E 21 24.931 30.085 16.927 1.00 39.59 N ATOM 295 CA SER E 21 25.223 31.080 15.920 1.00 42.12 C ATOM 296 C SER E 21 24.042 31.887 15.404 1.00 40.61 C ATOM 297 O SER E 21 23.989 33.115 15.456 1.00 41.99 O ATOM 298 CB SER E 21 25.715 30.216 14.691 1.00 45.74 C ATOM 299 OG SER E 21 24.842 29.056 14.626 1.00 47.29 O ATOM 300 HA SER E 21 25.911 31.806 16.353 1.00 0.00 H ATOM 301 HB2 SER E 21 26.748 29.902 14.840 1.00 0.00 H ATOM 302 HB3 SER E 21 25.642 30.795 13.770 1.00 0.00 H ATOM 303 HG SER E 21 24.913 28.544 15.470 1.00 0.00 H ATOM 304 H SER E 21 24.940 29.097 16.603 1.00 0.00 H ATOM 305 N SER E 22 23.084 31.125 14.874 1.00 37.11 N ATOM 306 CA SER E 22 21.883 31.648 14.266 1.00 32.18 C ATOM 307 C SER E 22 20.616 31.012 14.802 1.00 28.16 C ATOM 308 O SER E 22 20.665 30.028 15.528 1.00 26.96 O ATOM 309 CB SER E 22 21.922 31.182 12.775 1.00 34.01 C ATOM 310 OG SER E 22 21.525 29.824 12.677 1.00 35.87 O ATOM 311 HA SER E 22 21.862 32.723 14.445 1.00 0.00 H ATOM 312 HB2 SER E 22 22.936 31.290 12.390 1.00 0.00 H ATOM 313 HB3 SER E 22 21.243 31.799 12.186 1.00 0.00 H ATOM 314 HG SER E 22 20.603 29.725 13.024 1.00 0.00 H ATOM 315 H SER E 22 23.209 30.093 14.900 1.00 0.00 H ATOM 316 N SER E 23 19.500 31.546 14.357 1.00 25.87 N ATOM 317 CA SER E 23 18.191 31.051 14.756 1.00 25.27 C ATOM 318 C SER E 23 17.928 29.699 14.109 1.00 24.83 C ATOM 319 O SER E 23 16.967 28.988 14.410 1.00 24.03 O ATOM 320 CB SER E 23 17.105 32.046 14.351 1.00 24.92 C ATOM 321 OG SER E 23 16.901 32.103 12.958 1.00 27.09 O ATOM 322 HA SER E 23 18.173 30.935 15.840 1.00 0.00 H ATOM 323 HB2 SER E 23 17.394 33.037 14.701 1.00 0.00 H ATOM 324 HB3 SER E 23 16.170 31.752 14.827 1.00 0.00 H ATOM 325 HG SER E 23 16.189 32.761 12.757 1.00 0.00 H ATOM 326 H SER E 23 19.555 32.349 13.698 1.00 0.00 H ATOM 327 N ASN E 24 18.831 29.318 13.200 1.00 25.13 N ATOM 328 CA ASN E 24 18.640 28.022 12.546 1.00 26.43 C ATOM 329 C ASN E 24 19.454 26.908 13.187 1.00 24.78 C ATOM 330 O ASN E 24 19.319 25.731 12.808 1.00 22.13 O ATOM 331 CB ASN E 24 18.903 28.158 11.043 1.00 34.22 C ATOM 332 CG ASN E 24 17.754 27.522 10.258 1.00 41.60 C ATOM 333 OD1 ASN E 24 17.912 26.408 9.735 1.00 44.54 O ATOM 334 ND2 ASN E 24 16.612 28.215 10.232 1.00 41.73 N ATOM 335 HA ASN E 24 17.601 27.722 12.686 1.00 0.00 H ATOM 336 HB2 ASN E 24 18.979 29.214 10.782 1.00 0.00 H ATOM 337 HB3 ASN E 24 19.836 27.654 10.791 1.00 0.00 H ATOM 338 HD22 ASN E 24 16.557 29.145 10.695 1.00 0.00 H ATOM 339 HD21 ASN E 24 15.778 27.825 9.749 1.00 0.00 H ATOM 340 H ASN E 24 19.644 29.923 12.965 1.00 0.00 H ATOM 341 N TYR E 25 20.261 27.215 14.201 1.00 21.35 N ATOM 342 CA TYR E 25 21.075 26.249 14.920 1.00 19.81 C ATOM 343 C TYR E 25 20.307 25.021 15.364 1.00 18.01 C ATOM 344 O TYR E 25 20.750 23.924 15.005 1.00 18.50 O ATOM 345 CB TYR E 25 21.751 26.863 16.142 1.00 18.06 C ATOM 346 CG TYR E 25 22.539 25.885 16.992 1.00 19.61 C ATOM 347 CD1 TYR E 25 21.905 25.209 18.038 1.00 15.81 C ATOM 348 CD2 TYR E 25 23.891 25.646 16.750 1.00 17.79 C ATOM 349 CE1 TYR E 25 22.627 24.322 18.823 1.00 17.85 C ATOM 350 CE2 TYR E 25 24.619 24.771 17.541 1.00 16.87 C ATOM 351 CZ TYR E 25 23.969 24.112 18.568 1.00 19.32 C ATOM 352 OH TYR E 25 24.668 23.231 19.379 1.00 19.91 O ATOM 353 HA TYR E 25 21.829 25.939 14.196 1.00 0.00 H ATOM 354 HB3 TYR E 25 20.979 27.311 16.768 1.00 0.00 H ATOM 355 HB2 TYR E 25 22.434 27.640 15.798 1.00 0.00 H ATOM 356 HD2 TYR E 25 24.385 26.157 15.923 1.00 0.00 H ATOM 357 HE2 TYR E 25 25.681 24.606 17.357 1.00 0.00 H ATOM 358 HE1 TYR E 25 22.137 23.792 19.639 1.00 0.00 H ATOM 359 HD1 TYR E 25 20.847 25.378 18.236 1.00 0.00 H ATOM 360 HH TYR E 25 25.043 22.501 18.825 1.00 0.00 H ATOM 361 H TYR E 25 20.312 28.210 14.498 1.00 0.00 H ATOM 362 N CYS E 26 19.214 25.106 16.103 1.00 16.40 N ATOM 363 CA CYS E 26 18.496 23.907 16.502 1.00 14.46 C ATOM 364 C CYS E 26 17.948 23.071 15.371 1.00 17.80 C ATOM 365 O CYS E 26 17.977 21.827 15.430 1.00 18.46 O ATOM 366 CB CYS E 26 17.292 24.288 17.371 1.00 12.62 C ATOM 367 SG CYS E 26 17.800 24.873 18.986 1.00 13.18 S ATOM 368 HA CYS E 26 19.245 23.312 17.025 1.00 0.00 H ATOM 369 HB2 CYS E 26 16.655 23.412 17.496 1.00 0.00 H ATOM 370 HB3 CYS E 26 16.730 25.076 16.870 1.00 0.00 H ATOM 371 HG CYS E 26 18.999 25.333 18.481 1.00 0.00 H ATOM 372 H CYS E 26 18.865 26.039 16.401 1.00 0.00 H ATOM 373 N ASN E 27 17.396 23.685 14.338 1.00 18.57 N ATOM 374 CA ASN E 27 16.852 22.912 13.226 1.00 19.26 C ATOM 375 C ASN E 27 17.941 22.014 12.638 1.00 19.73 C ATOM 376 O ASN E 27 17.678 20.843 12.331 1.00 21.39 O ATOM 377 CB ASN E 27 16.313 23.833 12.154 1.00 20.81 C ATOM 378 CG ASN E 27 14.922 24.367 12.448 1.00 20.07 C ATOM 379 OD1 ASN E 27 14.620 25.504 12.063 1.00 26.17 O ATOM 380 ND2 ASN E 27 14.069 23.617 13.089 1.00 19.05 N ATOM 381 HA ASN E 27 16.035 22.294 13.598 1.00 0.00 H ATOM 382 HB2 ASN E 27 16.992 24.679 12.054 1.00 0.00 H ATOM 383 HB3 ASN E 27 16.279 23.283 11.213 1.00 0.00 H ATOM 384 HD22 ASN E 27 14.346 22.665 13.402 1.00 0.00 H ATOM 385 HD21 ASN E 27 13.111 23.971 13.287 1.00 0.00 H ATOM 386 H ASN E 27 17.349 24.724 14.318 1.00 0.00 H ATOM 387 N GLN E 28 19.152 22.497 12.501 1.00 20.94 N ATOM 388 CA GLN E 28 20.271 21.730 11.984 1.00 23.03 C ATOM 389 C GLN E 28 20.773 20.633 12.919 1.00 23.81 C ATOM 390 O GLN E 28 20.865 19.485 12.501 1.00 24.42 O ATOM 391 CB GLN E 28 21.485 22.662 11.781 1.00 25.49 C ATOM 392 CG GLN E 28 21.226 23.679 10.677 1.00 35.39 C ATOM 393 CD GLN E 28 22.194 24.845 10.775 1.00 40.52 C ATOM 394 OE1 GLN E 28 23.034 24.845 11.696 1.00 47.79 O ATOM 395 NE2 GLN E 28 22.056 25.822 9.885 1.00 41.81 N ATOM 396 HA GLN E 28 19.894 21.277 11.067 1.00 0.00 H ATOM 397 HB2 GLN E 28 21.685 23.192 12.712 1.00 0.00 H ATOM 398 HB3 GLN E 28 22.354 22.060 11.513 1.00 0.00 H ATOM 399 HG2 GLN E 28 21.348 23.194 9.709 1.00 0.00 H ATOM 400 HG3 GLN E 28 20.206 24.053 10.768 1.00 0.00 H ATOM 401 HE22 GLN E 28 21.331 25.751 9.143 1.00 0.00 H ATOM 402 HE21 GLN E 28 22.673 26.658 9.930 1.00 0.00 H ATOM 403 H GLN E 28 19.321 23.485 12.778 1.00 0.00 H ATOM 404 N MET E 29 21.121 20.985 14.161 1.00 21.59 N ATOM 405 CA MET E 29 21.613 20.031 15.129 1.00 18.80 C ATOM 406 C MET E 29 20.612 18.956 15.502 1.00 19.14 C ATOM 407 O MET E 29 21.039 17.820 15.730 1.00 18.54 O ATOM 408 CB MET E 29 22.033 20.713 16.437 1.00 17.56 C ATOM 409 CG MET E 29 23.195 21.656 16.214 1.00 16.55 C ATOM 410 SD MET E 29 24.655 20.696 15.770 1.00 24.33 S ATOM 411 CE MET E 29 25.042 19.968 17.358 1.00 20.95 C ATOM 412 HA MET E 29 22.463 19.569 14.627 1.00 0.00 H ATOM 413 HB2 MET E 29 21.188 21.277 16.832 1.00 0.00 H ATOM 414 HB3 MET E 29 22.327 19.950 17.158 1.00 0.00 H ATOM 415 HG2 MET E 29 23.391 22.217 17.128 1.00 0.00 H ATOM 416 HG3 MET E 29 22.954 22.349 15.408 1.00 0.00 H ATOM 417 HE1 MET E 29 25.235 20.760 18.082 1.00 0.00 H ATOM 418 HE2 MET E 29 24.199 19.364 17.694 1.00 0.00 H ATOM 419 HE3 MET E 29 25.927 19.338 17.262 1.00 0.00 H ATOM 420 H MET E 29 21.034 21.983 14.441 1.00 0.00 H ATOM 421 N MET E 30 19.329 19.292 15.613 1.00 18.44 N ATOM 422 CA MET E 30 18.358 18.269 15.953 1.00 19.18 C ATOM 423 C MET E 30 18.354 17.194 14.867 1.00 21.72 C ATOM 424 O MET E 30 18.203 16.023 15.168 1.00 21.39 O ATOM 425 CB MET E 30 16.943 18.797 16.149 1.00 18.82 C ATOM 426 CG MET E 30 16.779 19.729 17.345 1.00 16.92 C ATOM 427 SD MET E 30 17.035 18.888 18.928 1.00 18.87 S ATOM 428 CE MET E 30 15.588 17.803 18.986 1.00 16.13 C ATOM 429 HA MET E 30 18.667 17.859 16.914 1.00 0.00 H ATOM 430 HB2 MET E 30 16.654 19.341 15.250 1.00 0.00 H ATOM 431 HB3 MET E 30 16.277 17.945 16.286 1.00 0.00 H ATOM 432 HG2 MET E 30 15.771 20.143 17.329 1.00 0.00 H ATOM 433 HG3 MET E 30 17.504 20.538 17.259 1.00 0.00 H ATOM 434 HE1 MET E 30 14.681 18.407 18.957 1.00 0.00 H ATOM 435 HE2 MET E 30 15.606 17.130 18.129 1.00 0.00 H ATOM 436 HE3 MET E 30 15.609 17.221 19.907 1.00 0.00 H ATOM 437 H MET E 30 19.026 20.275 15.458 1.00 0.00 H ATOM 438 N LYS E 31 18.564 17.603 13.619 1.00 23.08 N ATOM 439 CA LYS E 31 18.555 16.631 12.527 1.00 25.97 C ATOM 440 C LYS E 31 19.864 15.864 12.455 1.00 24.40 C ATOM 441 O LYS E 31 19.926 14.631 12.370 1.00 23.07 O ATOM 442 CB LYS E 31 18.322 17.410 11.226 1.00 31.01 C ATOM 443 CG LYS E 31 18.315 16.648 9.918 1.00 36.97 C ATOM 444 CD LYS E 31 18.282 17.581 8.709 1.00 44.66 C ATOM 445 CE LYS E 31 19.460 18.552 8.682 1.00 51.17 C ATOM 446 NZ LYS E 31 19.431 19.570 7.578 1.00 55.03 N ATOM 447 HA LYS E 31 17.767 15.896 12.690 1.00 0.00 H ATOM 448 HB2 LYS E 31 17.355 17.904 11.316 1.00 0.00 H ATOM 449 HB3 LYS E 31 19.108 18.162 11.156 1.00 0.00 H ATOM 450 HG2 LYS E 31 19.214 16.034 9.864 1.00 0.00 H ATOM 451 HG3 LYS E 31 17.435 16.005 9.890 1.00 0.00 H ATOM 452 HD2 LYS E 31 18.306 16.978 7.802 1.00 0.00 H ATOM 453 HD3 LYS E 31 17.356 18.156 8.737 1.00 0.00 H ATOM 454 HE2 LYS E 31 20.375 17.969 8.578 1.00 0.00 H ATOM 455 HE3 LYS E 31 19.478 19.086 9.632 1.00 0.00 H ATOM 456 HZ1 LYS E 31 19.429 19.083 6.659 1.00 0.00 H ATOM 457 HZ2 LYS E 31 18.573 20.150 7.666 1.00 0.00 H ATOM 458 HZ3 LYS E 31 20.271 20.179 7.647 1.00 0.00 H ATOM 459 H LYS E 31 18.734 18.610 13.421 1.00 0.00 H ATOM 460 N SER E 32 20.963 16.620 12.507 1.00 23.11 N ATOM 461 CA SER E 32 22.246 15.944 12.409 1.00 25.01 C ATOM 462 C SER E 32 22.509 14.989 13.547 1.00 24.74 C ATOM 463 O SER E 32 23.306 14.062 13.377 1.00 24.20 O ATOM 464 CB SER E 32 23.388 16.910 12.226 1.00 26.12 C ATOM 465 OG SER E 32 23.693 17.711 13.331 1.00 31.93 O ATOM 466 HA SER E 32 22.182 15.335 11.507 1.00 0.00 H ATOM 467 HB2 SER E 32 23.139 17.569 11.394 1.00 0.00 H ATOM 468 HB3 SER E 32 24.278 16.332 11.976 1.00 0.00 H ATOM 469 HG SER E 32 24.452 18.305 13.107 1.00 0.00 H ATOM 470 H SER E 32 20.903 17.653 12.614 1.00 0.00 H ATOM 471 N ARG E 33 21.895 15.165 14.704 1.00 24.73 N ATOM 472 CA ARG E 33 22.158 14.256 15.828 1.00 23.63 C ATOM 473 C ARG E 33 21.104 13.159 15.868 1.00 24.31 C ATOM 474 O ARG E 33 21.045 12.363 16.803 1.00 24.80 O ATOM 475 CB ARG E 33 22.259 14.966 17.175 1.00 21.19 C ATOM 476 CG ARG E 33 23.421 15.933 17.313 1.00 17.14 C ATOM 477 CD ARG E 33 24.773 15.273 17.156 1.00 16.44 C ATOM 478 NE ARG E 33 25.885 16.188 17.352 1.00 17.42 N ATOM 479 CZ ARG E 33 26.529 16.518 18.457 1.00 16.56 C ATOM 480 NH1 ARG E 33 26.217 15.967 19.621 1.00 14.54 N ATOM 481 NH2 ARG E 33 27.471 17.456 18.450 1.00 15.88 N ATOM 482 HA ARG E 33 23.139 13.814 15.653 1.00 0.00 H ATOM 483 HB2 ARG E 33 21.336 15.524 17.332 1.00 0.00 H ATOM 484 HB3 ARG E 33 22.359 14.206 17.950 1.00 0.00 H ATOM 485 HG2 ARG E 33 23.322 16.704 16.549 1.00 0.00 H ATOM 486 HG3 ARG E 33 23.373 16.393 18.300 1.00 0.00 H ATOM 487 HD2 ARG E 33 24.840 14.856 16.151 1.00 0.00 H ATOM 488 HD3 ARG E 33 24.853 14.469 17.888 1.00 0.00 H ATOM 489 HE ARG E 33 26.227 16.656 16.488 1.00 0.00 H ATOM 490 HH12 ARG E 33 26.735 16.239 20.481 1.00 0.00 H ATOM 491 HH11 ARG E 33 25.454 15.262 19.675 1.00 0.00 H ATOM 492 HH22 ARG E 33 27.967 17.702 19.331 1.00 0.00 H ATOM 493 HH21 ARG E 33 27.712 17.944 17.564 1.00 0.00 H ATOM 494 H ARG E 33 21.223 15.950 14.819 1.00 0.00 H ATOM 495 N ASN E 34 20.281 13.108 14.835 1.00 23.89 N ATOM 496 CA ASN E 34 19.237 12.141 14.632 1.00 24.98 C ATOM 497 C ASN E 34 18.121 12.164 15.645 1.00 24.94 C ATOM 498 O ASN E 34 17.504 11.130 15.927 1.00 25.27 O ATOM 499 CB ASN E 34 19.824 10.715 14.580 1.00 29.93 C ATOM 500 CG ASN E 34 21.045 10.646 13.684 1.00 33.90 C ATOM 501 OD1 ASN E 34 20.950 10.936 12.488 1.00 40.40 O ATOM 502 ND2 ASN E 34 22.216 10.345 14.233 1.00 37.41 N ATOM 503 HA ASN E 34 18.790 12.429 13.681 1.00 0.00 H ATOM 504 HB2 ASN E 34 20.107 10.412 15.588 1.00 0.00 H ATOM 505 HB3 ASN E 34 19.065 10.033 14.197 1.00 0.00 H ATOM 506 HD22 ASN E 34 22.270 10.104 15.243 1.00 0.00 H ATOM 507 HD21 ASN E 34 23.079 10.350 13.653 1.00 0.00 H ATOM 508 H ASN E 34 20.400 13.835 14.101 1.00 0.00 H ATOM 509 N LEU E 35 17.800 13.346 16.149 1.00 24.81 N ATOM 510 CA LEU E 35 16.733 13.443 17.143 1.00 26.98 C ATOM 511 C LEU E 35 15.368 13.682 16.528 1.00 29.82 C ATOM 512 O LEU E 35 14.371 13.841 17.234 1.00 29.47 O ATOM 513 CB LEU E 35 17.091 14.563 18.130 1.00 24.45 C ATOM 514 CG LEU E 35 18.545 14.455 18.646 1.00 22.91 C ATOM 515 CD1 LEU E 35 18.830 15.552 19.653 1.00 25.91 C ATOM 516 CD2 LEU E 35 18.758 13.119 19.320 1.00 25.17 C ATOM 517 HA LEU E 35 16.660 12.486 17.659 1.00 0.00 H ATOM 518 HB2 LEU E 35 16.968 15.523 17.629 1.00 0.00 H ATOM 519 HB3 LEU E 35 16.413 14.509 18.981 1.00 0.00 H ATOM 520 HG LEU E 35 19.216 14.554 17.793 1.00 0.00 H ATOM 521 HD21 LEU E 35 18.071 13.024 20.161 1.00 0.00 H ATOM 522 HD22 LEU E 35 18.571 12.318 18.604 1.00 0.00 H ATOM 523 HD23 LEU E 35 19.785 13.054 19.679 1.00 0.00 H ATOM 524 HD11 LEU E 35 18.692 16.524 19.179 1.00 0.00 H ATOM 525 HD12 LEU E 35 18.145 15.457 20.496 1.00 0.00 H ATOM 526 HD13 LEU E 35 19.857 15.461 20.006 1.00 0.00 H ATOM 527 H LEU E 35 18.305 14.201 15.839 1.00 0.00 H ATOM 528 N THR E 36 15.299 13.676 15.194 1.00 32.65 N ATOM 529 CA THR E 36 13.993 13.892 14.547 1.00 36.05 C ATOM 530 C THR E 36 13.691 12.744 13.586 1.00 38.78 C ATOM 531 O THR E 36 12.864 12.869 12.684 1.00 38.31 O ATOM 532 CB THR E 36 14.042 15.171 13.677 1.00 34.85 C ATOM 533 OG1 THR E 36 15.148 15.006 12.775 1.00 35.46 O ATOM 534 CG2 THR E 36 14.272 16.455 14.462 1.00 35.05 C ATOM 535 HA THR E 36 13.241 13.967 15.332 1.00 0.00 H ATOM 536 HB THR E 36 13.074 15.278 13.187 1.00 0.00 H ATOM 537 HG1 THR E 36 15.000 14.202 12.216 1.00 0.00 H ATOM 538 HG23 THR E 36 13.446 16.607 15.157 1.00 0.00 H ATOM 539 HG21 THR E 36 15.207 16.377 15.018 1.00 0.00 H ATOM 540 HG22 THR E 36 14.327 17.297 13.771 1.00 0.00 H ATOM 541 H THR E 36 16.153 13.521 14.621 1.00 0.00 H ATOM 542 N LYS E 37 14.370 11.613 13.795 1.00 42.48 N ATOM 543 CA LYS E 37 14.236 10.459 12.926 1.00 45.89 C ATOM 544 C LYS E 37 12.956 9.686 12.998 1.00 46.21 C ATOM 545 O LYS E 37 12.487 9.294 11.912 1.00 47.82 O ATOM 546 CB LYS E 37 15.463 9.549 12.978 1.00 49.58 C ATOM 547 CG LYS E 37 16.756 10.322 12.651 1.00 54.57 C ATOM 548 CD LYS E 37 16.681 11.135 11.357 1.00 56.06 C ATOM 549 CE LYS E 37 17.583 12.369 11.370 1.00 54.42 C ATOM 550 NZ LYS E 37 17.288 13.312 12.488 1.00 46.37 N ATOM 551 HA LYS E 37 14.178 10.917 11.939 1.00 0.00 H ATOM 552 HB2 LYS E 37 15.547 9.125 13.979 1.00 0.00 H ATOM 553 HB3 LYS E 37 15.338 8.745 12.253 1.00 0.00 H ATOM 554 HG2 LYS E 37 16.966 11.005 13.474 1.00 0.00 H ATOM 555 HG3 LYS E 37 17.571 9.605 12.559 1.00 0.00 H ATOM 556 HD2 LYS E 37 16.981 10.495 10.527 1.00 0.00 H ATOM 557 HD3 LYS E 37 15.651 11.460 11.210 1.00 0.00 H ATOM 558 HE2 LYS E 37 17.454 12.901 10.427 1.00 0.00 H ATOM 559 HE3 LYS E 37 18.618 12.039 11.461 1.00 0.00 H ATOM 560 HZ1 LYS E 37 16.306 13.645 12.409 1.00 0.00 H ATOM 561 HZ2 LYS E 37 17.417 12.822 13.396 1.00 0.00 H ATOM 562 HZ3 LYS E 37 17.936 14.124 12.435 1.00 0.00 H ATOM 563 H LYS E 37 15.016 11.558 14.608 1.00 0.00 H ATOM 564 N ASP E 38 12.333 9.481 14.142 1.00 46.13 N ATOM 565 CA ASP E 38 11.059 8.742 14.148 1.00 46.39 C ATOM 566 C ASP E 38 9.914 9.658 14.541 1.00 43.83 C ATOM 567 O ASP E 38 8.746 9.419 14.279 1.00 43.86 O ATOM 568 CB ASP E 38 11.154 7.611 15.175 1.00 51.67 C ATOM 569 CG ASP E 38 11.804 6.361 14.612 1.00 56.95 C ATOM 570 OD1 ASP E 38 11.962 6.247 13.370 1.00 58.87 O ATOM 571 OD2 ASP E 38 12.145 5.463 15.436 1.00 62.12 O ATOM 572 HA ASP E 38 10.873 8.347 13.149 1.00 0.00 H ATOM 573 HB2 ASP E 38 11.743 7.959 16.023 1.00 0.00 H ATOM 574 HB3 ASP E 38 10.148 7.360 15.511 1.00 0.00 H ATOM 575 H ASP E 38 12.737 9.838 15.031 1.00 0.00 H ATOM 576 N ARG E 39 10.295 10.737 15.201 1.00 41.23 N ATOM 577 CA ARG E 39 9.409 11.761 15.698 1.00 39.59 C ATOM 578 C ARG E 39 10.206 13.051 15.907 1.00 35.44 C ATOM 579 O ARG E 39 11.420 13.028 15.744 1.00 34.76 O ATOM 580 CB ARG E 39 8.828 11.448 17.064 1.00 45.21 C ATOM 581 CG ARG E 39 9.566 10.829 18.189 1.00 51.63 C ATOM 582 CD ARG E 39 11.040 11.141 18.339 1.00 61.11 C ATOM 583 NE ARG E 39 11.890 10.487 17.345 1.00 67.18 N ATOM 584 CZ ARG E 39 13.219 10.391 17.319 1.00 69.06 C ATOM 585 NH1 ARG E 39 13.954 10.937 18.293 1.00 70.15 N ATOM 586 NH2 ARG E 39 13.809 9.731 16.319 1.00 67.82 N ATOM 587 HA ARG E 39 8.609 11.839 14.962 1.00 0.00 H ATOM 588 HB2 ARG E 39 8.463 12.401 17.448 1.00 0.00 H ATOM 589 HB3 ARG E 39 7.983 10.786 16.874 1.00 0.00 H ATOM 590 HG2 ARG E 39 9.074 11.143 19.110 1.00 0.00 H ATOM 591 HG3 ARG E 39 9.474 9.748 18.080 1.00 0.00 H ATOM 592 HD2 ARG E 39 11.360 10.818 19.330 1.00 0.00 H ATOM 593 HD3 ARG E 39 11.173 12.219 18.249 1.00 0.00 H ATOM 594 HE ARG E 39 11.390 10.036 16.552 1.00 0.00 H ATOM 595 HH12 ARG E 39 14.991 10.859 18.268 1.00 0.00 H ATOM 596 HH11 ARG E 39 13.489 11.440 19.076 1.00 0.00 H ATOM 597 HH22 ARG E 39 14.845 9.650 16.289 1.00 0.00 H ATOM 598 HH21 ARG E 39 13.232 9.298 15.570 1.00 0.00 H ATOM 599 H ARG E 39 11.313 10.858 15.376 1.00 0.00 H ATOM 600 N CYS E 40 9.475 14.091 16.273 1.00 30.84 N ATOM 601 CA CYS E 40 10.151 15.364 16.548 1.00 28.87 C ATOM 602 C CYS E 40 10.341 15.387 18.064 1.00 27.38 C ATOM 603 O CYS E 40 9.314 15.438 18.764 1.00 27.61 O ATOM 604 CB CYS E 40 9.304 16.558 16.155 1.00 27.15 C ATOM 605 SG CYS E 40 8.894 16.734 14.403 1.00 27.63 S ATOM 606 HA CYS E 40 11.080 15.431 15.982 1.00 0.00 H ATOM 607 HB2 CYS E 40 9.841 17.457 16.459 1.00 0.00 H ATOM 608 HB3 CYS E 40 8.367 16.492 16.707 1.00 0.00 H ATOM 609 HG CYS E 40 8.343 15.470 14.455 1.00 0.00 H ATOM 610 H CYS E 40 8.442 14.008 16.364 1.00 0.00 H ATOM 611 N LYS E 41 11.552 15.290 18.574 1.00 25.01 N ATOM 612 CA LYS E 41 11.709 15.347 20.059 1.00 21.39 C ATOM 613 C LYS E 41 11.319 16.785 20.425 1.00 18.99 C ATOM 614 O LYS E 41 11.864 17.706 19.810 1.00 18.36 O ATOM 615 CB LYS E 41 13.166 15.063 20.392 1.00 21.81 C ATOM 616 CG LYS E 41 13.436 14.790 21.863 1.00 21.30 C ATOM 617 CD LYS E 41 14.922 14.773 22.203 1.00 20.60 C ATOM 618 CE LYS E 41 15.063 14.449 23.694 1.00 19.80 C ATOM 619 NZ LYS E 41 16.471 14.398 24.151 1.00 21.41 N ATOM 620 HA LYS E 41 11.102 14.624 20.603 1.00 0.00 H ATOM 621 HB2 LYS E 41 13.482 14.191 19.820 1.00 0.00 H ATOM 622 HB3 LYS E 41 13.759 15.927 20.092 1.00 0.00 H ATOM 623 HG2 LYS E 41 12.953 15.567 22.455 1.00 0.00 H ATOM 624 HG3 LYS E 41 13.009 13.821 22.121 1.00 0.00 H ATOM 625 HD2 LYS E 41 15.429 14.012 21.609 1.00 0.00 H ATOM 626 HD3 LYS E 41 15.361 15.748 21.993 1.00 0.00 H ATOM 627 HE2 LYS E 41 14.602 13.479 23.883 1.00 0.00 H ATOM 628 HE3 LYS E 41 14.541 15.216 24.266 1.00 0.00 H ATOM 629 HZ1 LYS E 41 16.980 13.663 23.620 1.00 0.00 H ATOM 630 HZ2 LYS E 41 16.921 15.321 23.986 1.00 0.00 H ATOM 631 HZ3 LYS E 41 16.497 14.175 25.166 1.00 0.00 H ATOM 632 H LYS E 41 12.381 15.176 17.956 1.00 0.00 H ATOM 633 N PRO E 42 10.394 17.001 21.340 1.00 18.19 N ATOM 634 CA PRO E 42 9.924 18.326 21.706 1.00 16.89 C ATOM 635 C PRO E 42 10.945 19.252 22.321 1.00 17.44 C ATOM 636 O PRO E 42 11.044 20.423 21.922 1.00 18.89 O ATOM 637 CB PRO E 42 8.776 18.064 22.693 1.00 17.33 C ATOM 638 CG PRO E 42 8.422 16.632 22.491 1.00 19.87 C ATOM 639 CD PRO E 42 9.678 15.944 22.085 1.00 17.95 C ATOM 640 HA PRO E 42 9.637 18.859 20.800 1.00 0.00 H ATOM 641 HD3 PRO E 42 10.249 15.619 22.955 1.00 0.00 H ATOM 642 HD2 PRO E 42 9.469 15.085 21.448 1.00 0.00 H ATOM 643 HG3 PRO E 42 7.669 16.536 21.709 1.00 0.00 H ATOM 644 HG2 PRO E 42 8.039 16.203 23.417 1.00 0.00 H ATOM 645 HB2 PRO E 42 9.103 18.238 23.718 1.00 0.00 H ATOM 646 HB3 PRO E 42 7.924 18.706 22.471 1.00 0.00 H ATOM 647 N VAL E 43 11.733 18.786 23.288 1.00 15.80 N ATOM 648 CA VAL E 43 12.714 19.656 23.936 1.00 14.39 C ATOM 649 C VAL E 43 14.095 19.036 23.968 1.00 14.40 C ATOM 650 O VAL E 43 14.200 17.843 24.263 1.00 13.94 O ATOM 651 CB VAL E 43 12.297 19.866 25.426 1.00 12.53 C ATOM 652 CG1 VAL E 43 13.160 20.940 26.060 1.00 12.26 C ATOM 653 CG2 VAL E 43 10.860 20.321 25.557 1.00 14.76 C ATOM 654 HA VAL E 43 12.741 20.585 23.367 1.00 0.00 H ATOM 655 HB VAL E 43 12.422 18.903 25.921 1.00 0.00 H ATOM 656 HG11 VAL E 43 14.206 20.635 26.019 1.00 0.00 H ATOM 657 HG12 VAL E 43 13.032 21.876 25.516 1.00 0.00 H ATOM 658 HG13 VAL E 43 12.861 21.078 27.099 1.00 0.00 H ATOM 659 HG21 VAL E 43 10.730 21.267 25.031 1.00 0.00 H ATOM 660 HG22 VAL E 43 10.201 19.569 25.122 1.00 0.00 H ATOM 661 HG23 VAL E 43 10.617 20.453 26.611 1.00 0.00 H ATOM 662 H VAL E 43 11.650 17.793 23.586 1.00 0.00 H ATOM 663 N ASN E 44 15.159 19.798 23.674 1.00 13.35 N ATOM 664 CA ASN E 44 16.488 19.178 23.766 1.00 13.28 C ATOM 665 C ASN E 44 17.554 20.207 24.047 1.00 13.20 C ATOM 666 O ASN E 44 17.666 21.185 23.295 1.00 16.04 O ATOM 667 CB ASN E 44 16.839 18.377 22.523 1.00 11.75 C ATOM 668 CG ASN E 44 18.076 17.530 22.752 1.00 10.91 C ATOM 669 OD1 ASN E 44 17.994 16.524 23.458 1.00 15.05 O ATOM 670 ND2 ASN E 44 19.228 17.911 22.210 1.00 11.76 N ATOM 671 HA ASN E 44 16.448 18.482 24.603 1.00 0.00 H ATOM 672 HB2 ASN E 44 16.002 17.725 22.271 1.00 0.00 H ATOM 673 HB3 ASN E 44 17.025 19.064 21.697 1.00 0.00 H ATOM 674 HD22 ASN E 44 19.267 18.765 21.618 1.00 0.00 H ATOM 675 HD21 ASN E 44 20.091 17.355 22.378 1.00 0.00 H ATOM 676 H ASN E 44 15.047 20.792 23.391 1.00 0.00 H ATOM 677 N THR E 45 18.397 20.042 25.080 1.00 11.71 N ATOM 678 CA THR E 45 19.425 21.060 25.315 1.00 10.47 C ATOM 679 C THR E 45 20.809 20.651 24.844 1.00 10.06 C ATOM 680 O THR E 45 21.180 19.531 25.112 1.00 9.43 O ATOM 681 CB THR E 45 19.549 21.310 26.838 1.00 10.01 C ATOM 682 OG1 THR E 45 18.243 21.674 27.316 1.00 10.64 O ATOM 683 CG2 THR E 45 20.485 22.452 27.185 1.00 8.60 C ATOM 684 HA THR E 45 19.107 21.938 24.753 1.00 0.00 H ATOM 685 HB THR E 45 19.948 20.403 27.292 1.00 0.00 H ATOM 686 HG1 THR E 45 18.285 21.842 28.291 1.00 0.00 H ATOM 687 HG23 THR E 45 21.491 22.214 26.838 1.00 0.00 H ATOM 688 HG21 THR E 45 20.138 23.365 26.700 1.00 0.00 H ATOM 689 HG22 THR E 45 20.497 22.595 28.266 1.00 0.00 H ATOM 690 H THR E 45 18.322 19.210 25.699 1.00 0.00 H ATOM 691 N PHE E 46 21.571 21.549 24.217 1.00 10.49 N ATOM 692 CA PHE E 46 22.932 21.236 23.792 1.00 12.43 C ATOM 693 C PHE E 46 23.881 22.049 24.661 1.00 14.79 C ATOM 694 O PHE E 46 23.569 23.225 24.929 1.00 15.80 O ATOM 695 CB PHE E 46 23.198 21.639 22.334 1.00 11.66 C ATOM 696 CG PHE E 46 22.571 20.702 21.353 1.00 13.69 C ATOM 697 CD1 PHE E 46 23.185 19.502 21.033 1.00 14.28 C ATOM 698 CD2 PHE E 46 21.380 21.037 20.739 1.00 14.23 C ATOM 699 CE1 PHE E 46 22.601 18.661 20.104 1.00 13.70 C ATOM 700 CE2 PHE E 46 20.780 20.190 19.810 1.00 16.29 C ATOM 701 CZ PHE E 46 21.387 18.979 19.496 1.00 15.44 C ATOM 702 HA PHE E 46 23.076 20.160 23.885 1.00 0.00 H ATOM 703 HB2 PHE E 46 22.795 22.638 22.169 1.00 0.00 H ATOM 704 HB3 PHE E 46 24.275 21.651 22.166 1.00 0.00 H ATOM 705 HD2 PHE E 46 20.900 21.984 20.986 1.00 0.00 H ATOM 706 HE2 PHE E 46 19.842 20.474 19.333 1.00 0.00 H ATOM 707 HZ PHE E 46 20.923 18.292 18.789 1.00 0.00 H ATOM 708 HE1 PHE E 46 23.101 17.729 19.841 1.00 0.00 H ATOM 709 HD1 PHE E 46 24.124 19.222 21.511 1.00 0.00 H ATOM 710 H PHE E 46 21.186 22.496 24.026 1.00 0.00 H ATOM 711 N VAL E 47 24.974 21.475 25.132 1.00 14.44 N ATOM 712 CA VAL E 47 25.902 22.185 25.982 1.00 13.92 C ATOM 713 C VAL E 47 27.182 22.526 25.224 1.00 15.78 C ATOM 714 O VAL E 47 27.743 21.645 24.557 1.00 15.30 O ATOM 715 CB VAL E 47 26.263 21.344 27.231 1.00 12.77 C ATOM 716 CG1 VAL E 47 27.051 22.219 28.192 1.00 13.27 C ATOM 717 CG2 VAL E 47 25.000 20.884 27.917 1.00 11.89 C ATOM 718 HA VAL E 47 25.414 23.107 26.298 1.00 0.00 H ATOM 719 HB VAL E 47 26.851 20.476 26.932 1.00 0.00 H ATOM 720 HG11 VAL E 47 27.960 22.567 27.702 1.00 0.00 H ATOM 721 HG12 VAL E 47 26.443 23.076 28.483 1.00 0.00 H ATOM 722 HG13 VAL E 47 27.313 21.640 29.078 1.00 0.00 H ATOM 723 HG21 VAL E 47 24.417 21.753 28.222 1.00 0.00 H ATOM 724 HG22 VAL E 47 24.415 20.275 27.228 1.00 0.00 H ATOM 725 HG23 VAL E 47 25.260 20.293 28.795 1.00 0.00 H ATOM 726 H VAL E 47 25.172 20.485 24.884 1.00 0.00 H ATOM 727 N HIS E 48 27.592 23.782 25.302 1.00 15.24 N ATOM 728 CA HIS E 48 28.793 24.226 24.616 1.00 16.11 C ATOM 729 C HIS E 48 29.926 24.402 25.616 1.00 16.74 C ATOM 730 O HIS E 48 30.323 25.533 25.904 1.00 20.46 O ATOM 731 CB HIS E 48 28.567 25.573 23.909 1.00 14.56 C ATOM 732 CG HIS E 48 27.389 25.590 22.988 1.00 15.72 C ATOM 733 ND1 HIS E 48 27.405 25.095 21.719 1.00 16.56 N ATOM 734 CD2 HIS E 48 26.142 26.079 23.145 1.00 16.04 C ATOM 735 CE1 HIS E 48 26.221 25.226 21.150 1.00 16.80 C ATOM 736 NE2 HIS E 48 25.427 25.817 22.013 1.00 15.93 N ATOM 737 HA HIS E 48 29.046 23.468 23.875 1.00 0.00 H ATOM 738 HB2 HIS E 48 28.417 26.339 24.670 1.00 0.00 H ATOM 739 HB3 HIS E 48 29.459 25.809 23.329 1.00 0.00 H ATOM 740 HD2 HIS E 48 25.768 26.597 24.028 1.00 0.00 H ATOM 741 HE1 HIS E 48 25.951 24.902 20.145 1.00 0.00 H ATOM 742 H HIS E 48 27.044 24.464 25.865 1.00 0.00 H ATOM 743 N GLU E 49 30.401 23.328 26.211 1.00 16.88 N ATOM 744 CA GLU E 49 31.504 23.316 27.159 1.00 15.33 C ATOM 745 C GLU E 49 32.282 22.037 26.845 1.00 15.10 C ATOM 746 O GLU E 49 31.701 21.202 26.132 1.00 15.24 O ATOM 747 CB GLU E 49 31.054 23.243 28.604 1.00 16.25 C ATOM 748 CG GLU E 49 30.254 24.448 29.068 1.00 18.12 C ATOM 749 CD GLU E 49 31.009 25.743 29.042 1.00 21.08 C ATOM 750 OE1 GLU E 49 32.265 25.692 28.963 1.00 23.70 O ATOM 751 OE2 GLU E 49 30.375 26.829 29.074 1.00 21.29 O ATOM 752 HA GLU E 49 32.079 24.237 27.057 1.00 0.00 H ATOM 753 HB2 GLU E 49 30.435 22.354 28.725 1.00 0.00 H ATOM 754 HB3 GLU E 49 31.939 23.157 29.234 1.00 0.00 H ATOM 755 HG2 GLU E 49 29.383 24.548 28.421 1.00 0.00 H ATOM 756 HG3 GLU E 49 29.926 24.266 30.091 1.00 0.00 H ATOM 757 H GLU E 49 29.953 22.417 25.986 1.00 0.00 H ATOM 758 N SER E 50 33.512 21.895 27.309 1.00 15.63 N ATOM 759 CA SER E 50 34.227 20.634 26.976 1.00 15.80 C ATOM 760 C SER E 50 33.581 19.457 27.688 1.00 17.46 C ATOM 761 O SER E 50 32.895 19.622 28.715 1.00 19.65 O ATOM 762 CB SER E 50 35.684 20.702 27.407 1.00 13.16 C ATOM 763 OG SER E 50 35.790 20.713 28.806 1.00 17.17 O ATOM 764 HA SER E 50 34.169 20.503 25.895 1.00 0.00 H ATOM 765 HB2 SER E 50 36.133 21.611 27.007 1.00 0.00 H ATOM 766 HB3 SER E 50 36.214 19.834 27.015 1.00 0.00 H ATOM 767 HG SER E 50 36.745 20.757 29.063 1.00 0.00 H ATOM 768 H SER E 50 33.962 22.636 27.884 1.00 0.00 H ATOM 769 N LEU E 51 33.788 18.246 27.165 1.00 18.04 N ATOM 770 CA LEU E 51 33.210 17.041 27.754 1.00 16.86 C ATOM 771 C LEU E 51 33.732 16.854 29.166 1.00 16.81 C ATOM 772 O LEU E 51 32.957 16.456 30.022 1.00 19.47 O ATOM 773 CB LEU E 51 33.555 15.797 26.943 1.00 16.10 C ATOM 774 CG LEU E 51 33.046 14.461 27.486 1.00 13.30 C ATOM 775 CD1 LEU E 51 31.533 14.433 27.466 1.00 15.14 C ATOM 776 CD2 LEU E 51 33.568 13.364 26.577 1.00 15.93 C ATOM 777 HA LEU E 51 32.128 17.169 27.759 1.00 0.00 H ATOM 778 HB2 LEU E 51 33.139 15.928 25.944 1.00 0.00 H ATOM 779 HB3 LEU E 51 34.641 15.735 26.878 1.00 0.00 H ATOM 780 HG LEU E 51 33.388 14.321 28.511 1.00 0.00 H ATOM 781 HD21 LEU E 51 33.200 13.527 25.564 1.00 0.00 H ATOM 782 HD22 LEU E 51 34.658 13.383 26.576 1.00 0.00 H ATOM 783 HD23 LEU E 51 33.220 12.397 26.940 1.00 0.00 H ATOM 784 HD11 LEU E 51 31.148 15.242 28.087 1.00 0.00 H ATOM 785 HD12 LEU E 51 31.182 14.560 26.442 1.00 0.00 H ATOM 786 HD13 LEU E 51 31.183 13.477 27.855 1.00 0.00 H ATOM 787 H LEU E 51 34.378 18.158 26.313 1.00 0.00 H ATOM 788 N ALA E 52 34.989 17.155 29.388 1.00 16.55 N ATOM 789 CA ALA E 52 35.573 17.042 30.716 1.00 17.41 C ATOM 790 C ALA E 52 34.841 17.968 31.690 1.00 17.54 C ATOM 791 O ALA E 52 34.556 17.530 32.814 1.00 16.17 O ATOM 792 CB ALA E 52 37.033 17.411 30.696 1.00 15.44 C ATOM 793 HA ALA E 52 35.473 16.006 31.039 1.00 0.00 H ATOM 794 HB1 ALA E 52 37.566 16.742 30.021 1.00 0.00 H ATOM 795 HB2 ALA E 52 37.142 18.439 30.352 1.00 0.00 H ATOM 796 HB3 ALA E 52 37.444 17.318 31.701 1.00 0.00 H ATOM 797 H ALA E 52 35.581 17.482 28.598 1.00 0.00 H ATOM 798 N ASP E 53 34.526 19.184 31.271 1.00 15.47 N ATOM 799 CA ASP E 53 33.814 20.100 32.147 1.00 15.76 C ATOM 800 C ASP E 53 32.397 19.633 32.468 1.00 16.59 C ATOM 801 O ASP E 53 31.914 19.901 33.573 1.00 15.56 O ATOM 802 CB ASP E 53 33.716 21.498 31.520 1.00 17.94 C ATOM 803 CG ASP E 53 34.979 22.288 31.794 1.00 24.45 C ATOM 804 OD1 ASP E 53 35.819 21.833 32.605 1.00 27.04 O ATOM 805 OD2 ASP E 53 35.124 23.368 31.212 1.00 30.15 O ATOM 806 HA ASP E 53 34.393 20.129 33.070 1.00 0.00 H ATOM 807 HB2 ASP E 53 33.579 21.400 30.443 1.00 0.00 H ATOM 808 HB3 ASP E 53 32.863 22.025 31.947 1.00 0.00 H ATOM 809 H ASP E 53 34.789 19.485 30.311 1.00 0.00 H ATOM 810 N VAL E 54 31.737 18.946 31.526 1.00 16.03 N ATOM 811 CA VAL E 54 30.385 18.457 31.749 1.00 13.29 C ATOM 812 C VAL E 54 30.405 17.241 32.651 1.00 14.32 C ATOM 813 O VAL E 54 29.558 17.047 33.553 1.00 13.01 O ATOM 814 CB VAL E 54 29.650 18.241 30.421 1.00 12.85 C ATOM 815 CG1 VAL E 54 28.295 17.564 30.572 1.00 13.14 C ATOM 816 CG2 VAL E 54 29.335 19.594 29.761 1.00 14.00 C ATOM 817 HA VAL E 54 29.807 19.215 32.278 1.00 0.00 H ATOM 818 HB VAL E 54 30.322 17.613 29.836 1.00 0.00 H ATOM 819 HG11 VAL E 54 28.429 16.585 31.032 1.00 0.00 H ATOM 820 HG12 VAL E 54 27.652 18.178 31.202 1.00 0.00 H ATOM 821 HG13 VAL E 54 27.838 17.446 29.590 1.00 0.00 H ATOM 822 HG21 VAL E 54 28.704 20.183 30.426 1.00 0.00 H ATOM 823 HG22 VAL E 54 30.265 20.130 29.571 1.00 0.00 H ATOM 824 HG23 VAL E 54 28.813 19.425 28.819 1.00 0.00 H ATOM 825 H VAL E 54 32.202 18.758 30.615 1.00 0.00 H ATOM 826 N GLN E 55 31.405 16.360 32.461 1.00 15.77 N ATOM 827 CA GLN E 55 31.484 15.155 33.318 1.00 15.37 C ATOM 828 C GLN E 55 31.825 15.541 34.756 1.00 15.16 C ATOM 829 O GLN E 55 31.484 14.802 35.665 1.00 15.17 O ATOM 830 CB GLN E 55 32.528 14.166 32.840 1.00 15.35 C ATOM 831 CG GLN E 55 32.176 13.478 31.533 1.00 17.87 C ATOM 832 CD GLN E 55 33.384 12.864 30.853 1.00 21.01 C ATOM 833 OE1 GLN E 55 34.529 13.256 31.121 1.00 22.55 O ATOM 834 NE2 GLN E 55 33.135 11.920 29.951 1.00 22.48 N ATOM 835 HA GLN E 55 30.503 14.682 33.264 1.00 0.00 H ATOM 836 HB2 GLN E 55 33.469 14.699 32.704 1.00 0.00 H ATOM 837 HB3 GLN E 55 32.653 13.402 33.607 1.00 0.00 H ATOM 838 HG2 GLN E 55 31.452 12.689 31.737 1.00 0.00 H ATOM 839 HG3 GLN E 55 31.732 14.212 30.860 1.00 0.00 H ATOM 840 HE22 GLN E 55 32.155 11.626 29.763 1.00 0.00 H ATOM 841 HE21 GLN E 55 33.920 11.475 29.434 1.00 0.00 H ATOM 842 H GLN E 55 32.115 16.524 31.719 1.00 0.00 H ATOM 843 N ALA E 56 32.459 16.695 34.959 1.00 15.35 N ATOM 844 CA ALA E 56 32.820 17.138 36.292 1.00 14.89 C ATOM 845 C ALA E 56 31.576 17.474 37.090 1.00 15.81 C ATOM 846 O ALA E 56 31.609 17.349 38.319 1.00 17.37 O ATOM 847 CB ALA E 56 33.706 18.366 36.214 1.00 10.19 C ATOM 848 HA ALA E 56 33.360 16.330 36.786 1.00 0.00 H ATOM 849 HB1 ALA E 56 34.613 18.123 35.660 1.00 0.00 H ATOM 850 HB2 ALA E 56 33.171 19.167 35.704 1.00 0.00 H ATOM 851 HB3 ALA E 56 33.969 18.687 37.222 1.00 0.00 H ATOM 852 H ALA E 56 32.701 17.292 34.143 1.00 0.00 H ATOM 853 N VAL E 57 30.480 17.849 36.443 1.00 16.46 N ATOM 854 CA VAL E 57 29.259 18.190 37.162 1.00 13.65 C ATOM 855 C VAL E 57 28.767 17.076 38.064 1.00 14.96 C ATOM 856 O VAL E 57 28.088 17.252 39.091 1.00 15.27 O ATOM 857 CB VAL E 57 28.150 18.611 36.175 1.00 11.74 C ATOM 858 CG1 VAL E 57 26.831 18.872 36.894 1.00 7.76 C ATOM 859 CG2 VAL E 57 28.580 19.889 35.475 1.00 8.53 C ATOM 860 HA VAL E 57 29.507 19.030 37.811 1.00 0.00 H ATOM 861 HB VAL E 57 28.000 17.800 35.462 1.00 0.00 H ATOM 862 HG11 VAL E 57 26.512 17.964 37.406 1.00 0.00 H ATOM 863 HG12 VAL E 57 26.967 19.672 37.622 1.00 0.00 H ATOM 864 HG13 VAL E 57 26.074 19.166 36.167 1.00 0.00 H ATOM 865 HG21 VAL E 57 28.734 20.673 36.216 1.00 0.00 H ATOM 866 HG22 VAL E 57 29.509 19.711 34.934 1.00 0.00 H ATOM 867 HG23 VAL E 57 27.804 20.197 34.774 1.00 0.00 H ATOM 868 H VAL E 57 30.492 17.901 35.404 1.00 0.00 H ATOM 869 N CYS E 58 29.151 15.854 37.750 1.00 14.84 N ATOM 870 CA CYS E 58 28.774 14.677 38.509 1.00 16.30 C ATOM 871 C CYS E 58 29.378 14.655 39.901 1.00 17.88 C ATOM 872 O CYS E 58 29.033 13.831 40.738 1.00 16.08 O ATOM 873 CB CYS E 58 29.194 13.416 37.757 1.00 17.30 C ATOM 874 SG CYS E 58 28.176 13.052 36.292 1.00 19.36 S ATOM 875 HA CYS E 58 27.691 14.710 38.623 1.00 0.00 H ATOM 876 HB2 CYS E 58 29.125 12.570 38.441 1.00 0.00 H ATOM 877 HB3 CYS E 58 30.228 13.538 37.434 1.00 0.00 H ATOM 878 HG CYS E 58 28.434 14.385 36.044 1.00 0.00 H ATOM 879 H CYS E 58 29.756 15.728 36.914 1.00 0.00 H ATOM 880 N SER E 59 30.280 15.604 40.169 1.00 19.70 N ATOM 881 CA SER E 59 30.881 15.621 41.503 1.00 20.97 C ATOM 882 C SER E 59 30.667 16.980 42.131 1.00 18.88 C ATOM 883 O SER E 59 31.409 17.366 43.020 1.00 21.30 O ATOM 884 CB SER E 59 32.347 15.240 41.477 1.00 24.91 C ATOM 885 OG SER E 59 33.079 15.860 40.431 1.00 32.34 O ATOM 886 HA SER E 59 30.387 14.865 42.114 1.00 0.00 H ATOM 887 HB2 SER E 59 32.420 14.159 41.355 1.00 0.00 H ATOM 888 HB3 SER E 59 32.795 15.528 42.428 1.00 0.00 H ATOM 889 HG SER E 59 32.691 15.599 39.558 1.00 0.00 H ATOM 890 H SER E 59 30.546 16.308 39.452 1.00 0.00 H ATOM 891 N GLN E 60 29.637 17.662 41.667 1.00 16.53 N ATOM 892 CA GLN E 60 29.315 18.980 42.177 1.00 17.58 C ATOM 893 C GLN E 60 28.128 19.014 43.098 1.00 17.53 C ATOM 894 O GLN E 60 28.105 18.259 44.073 1.00 19.01 O ATOM 895 CB GLN E 60 29.279 20.020 41.039 1.00 16.41 C ATOM 896 CG GLN E 60 30.621 20.094 40.300 1.00 16.45 C ATOM 897 CD GLN E 60 30.763 21.032 39.136 1.00 16.82 C ATOM 898 OE1 GLN E 60 30.093 22.044 38.973 1.00 16.02 O ATOM 899 NE2 GLN E 60 31.717 20.719 38.234 1.00 15.34 N ATOM 900 HA GLN E 60 30.132 19.273 42.836 1.00 0.00 H ATOM 901 HB2 GLN E 60 28.499 19.742 40.330 1.00 0.00 H ATOM 902 HB3 GLN E 60 29.053 20.999 41.461 1.00 0.00 H ATOM 903 HG2 GLN E 60 31.374 20.380 41.034 1.00 0.00 H ATOM 904 HG3 GLN E 60 30.838 19.092 39.931 1.00 0.00 H ATOM 905 HE22 GLN E 60 32.292 19.862 38.362 1.00 0.00 H ATOM 906 HE21 GLN E 60 31.877 21.335 37.411 1.00 0.00 H ATOM 907 H GLN E 60 29.045 17.246 40.921 1.00 0.00 H ATOM 908 N LYS E 61 27.114 19.827 42.935 1.00 18.07 N ATOM 909 CA LYS E 61 25.981 19.947 43.863 1.00 17.60 C ATOM 910 C LYS E 61 24.895 18.918 43.693 1.00 17.31 C ATOM 911 O LYS E 61 24.160 18.895 42.706 1.00 16.03 O ATOM 912 CB LYS E 61 25.440 21.350 43.641 1.00 18.08 C ATOM 913 CG LYS E 61 24.341 21.845 44.517 1.00 21.27 C ATOM 914 CD LYS E 61 24.774 21.868 45.969 1.00 23.69 C ATOM 915 CE LYS E 61 23.868 22.777 46.779 1.00 22.29 C ATOM 916 NZ LYS E 61 24.203 22.686 48.231 1.00 22.89 N ATOM 917 HA LYS E 61 26.330 19.767 44.880 1.00 0.00 H ATOM 918 HB2 LYS E 61 26.277 22.038 43.758 1.00 0.00 H ATOM 919 HB3 LYS E 61 25.076 21.394 42.615 1.00 0.00 H ATOM 920 HG2 LYS E 61 24.067 22.854 44.210 1.00 0.00 H ATOM 921 HG3 LYS E 61 23.478 21.188 44.412 1.00 0.00 H ATOM 922 HD2 LYS E 61 24.724 20.857 46.375 1.00 0.00 H ATOM 923 HD3 LYS E 61 25.799 22.234 46.032 1.00 0.00 H ATOM 924 HE2 LYS E 61 22.831 22.476 46.630 1.00 0.00 H ATOM 925 HE3 LYS E 61 23.999 23.806 46.444 1.00 0.00 H ATOM 926 HZ1 LYS E 61 24.076 21.706 48.554 1.00 0.00 H ATOM 927 HZ2 LYS E 61 25.191 22.975 48.376 1.00 0.00 H ATOM 928 HZ3 LYS E 61 23.574 23.314 48.771 1.00 0.00 H ATOM 929 H LYS E 61 27.111 20.431 42.088 1.00 0.00 H ATOM 930 N ASN E 62 24.777 17.997 44.661 1.00 16.76 N ATOM 931 CA ASN E 62 23.760 16.940 44.576 1.00 16.18 C ATOM 932 C ASN E 62 22.385 17.514 44.844 1.00 16.72 C ATOM 933 O ASN E 62 22.159 18.224 45.831 1.00 17.59 O ATOM 934 CB ASN E 62 24.075 15.837 45.563 1.00 18.78 C ATOM 935 CG ASN E 62 23.146 14.627 45.557 1.00 22.81 C ATOM 936 OD1 ASN E 62 22.775 14.223 46.668 1.00 22.09 O ATOM 937 ND2 ASN E 62 22.775 14.109 44.393 1.00 18.54 N ATOM 938 HA ASN E 62 23.769 16.521 43.570 1.00 0.00 H ATOM 939 HB2 ASN E 62 25.083 15.481 45.350 1.00 0.00 H ATOM 940 HB3 ASN E 62 24.047 16.270 46.563 1.00 0.00 H ATOM 941 HD22 ASN E 62 23.137 14.513 43.505 1.00 0.00 H ATOM 942 HD21 ASN E 62 22.123 13.299 44.368 1.00 0.00 H ATOM 943 H ASN E 62 25.414 18.032 45.483 1.00 0.00 H ATOM 944 N VAL E 63 21.446 17.264 43.948 1.00 15.96 N ATOM 945 CA VAL E 63 20.078 17.736 44.053 1.00 16.32 C ATOM 946 C VAL E 63 19.133 16.622 43.589 1.00 17.66 C ATOM 947 O VAL E 63 19.559 15.633 42.987 1.00 17.19 O ATOM 948 CB VAL E 63 19.802 18.941 43.118 1.00 18.29 C ATOM 949 CG1 VAL E 63 20.452 20.225 43.615 1.00 17.27 C ATOM 950 CG2 VAL E 63 20.295 18.634 41.699 1.00 14.86 C ATOM 951 HA VAL E 63 19.921 18.028 45.091 1.00 0.00 H ATOM 952 HB VAL E 63 18.723 19.097 43.113 1.00 0.00 H ATOM 953 HG11 VAL E 63 20.062 20.470 44.603 1.00 0.00 H ATOM 954 HG12 VAL E 63 21.531 20.085 43.674 1.00 0.00 H ATOM 955 HG13 VAL E 63 20.227 21.036 42.923 1.00 0.00 H ATOM 956 HG21 VAL E 63 21.367 18.438 41.723 1.00 0.00 H ATOM 957 HG22 VAL E 63 19.773 17.757 41.316 1.00 0.00 H ATOM 958 HG23 VAL E 63 20.095 19.489 41.053 1.00 0.00 H ATOM 959 H VAL E 63 21.703 16.694 43.117 1.00 0.00 H ATOM 960 N ALA E 64 17.837 16.741 43.870 1.00 18.63 N ATOM 961 CA ALA E 64 16.908 15.712 43.399 1.00 19.37 C ATOM 962 C ALA E 64 16.659 15.939 41.902 1.00 19.25 C ATOM 963 O ALA E 64 16.754 17.059 41.372 1.00 17.72 O ATOM 964 CB ALA E 64 15.543 15.792 44.099 1.00 17.62 C ATOM 965 HA ALA E 64 17.356 14.741 43.612 1.00 0.00 H ATOM 966 HB1 ALA E 64 15.678 15.659 45.172 1.00 0.00 H ATOM 967 HB2 ALA E 64 15.094 16.766 43.906 1.00 0.00 H ATOM 968 HB3 ALA E 64 14.892 15.007 43.713 1.00 0.00 H ATOM 969 H ALA E 64 17.489 17.554 44.417 1.00 0.00 H ATOM 970 N CYS E 65 16.403 14.825 41.216 1.00 18.85 N ATOM 971 CA CYS E 65 16.068 14.882 39.790 1.00 18.52 C ATOM 972 C CYS E 65 14.558 15.155 39.731 1.00 18.74 C ATOM 973 O CYS E 65 13.892 14.979 40.758 1.00 18.51 O ATOM 974 CB CYS E 65 16.265 13.507 39.150 1.00 18.12 C ATOM 975 SG CYS E 65 17.951 12.870 39.195 1.00 20.83 S ATOM 976 HA CYS E 65 16.682 15.627 39.284 1.00 0.00 H ATOM 977 HB2 CYS E 65 15.958 13.574 38.106 1.00 0.00 H ATOM 978 HB3 CYS E 65 15.623 12.797 39.672 1.00 0.00 H ATOM 979 HG CYS E 65 17.243 12.099 38.295 1.00 0.00 H ATOM 980 H CYS E 65 16.441 13.904 41.698 1.00 0.00 H ATOM 981 N LYS E 66 14.010 15.558 38.613 1.00 20.70 N ATOM 982 CA LYS E 66 12.583 15.826 38.463 1.00 24.98 C ATOM 983 C LYS E 66 11.736 14.598 38.816 1.00 26.29 C ATOM 984 O LYS E 66 10.624 14.763 39.313 1.00 28.37 O ATOM 985 CB LYS E 66 12.222 16.189 37.031 1.00 28.21 C ATOM 986 CG LYS E 66 12.284 17.673 36.730 1.00 35.28 C ATOM 987 CD LYS E 66 12.356 17.900 35.233 1.00 39.92 C ATOM 988 CE LYS E 66 12.645 19.366 34.906 1.00 45.52 C ATOM 989 NZ LYS E 66 12.563 19.599 33.416 1.00 48.73 N ATOM 990 HA LYS E 66 12.374 16.655 39.139 1.00 0.00 H ATOM 991 HB2 LYS E 66 12.914 15.676 36.363 1.00 0.00 H ATOM 992 HB3 LYS E 66 11.207 15.843 36.836 1.00 0.00 H ATOM 993 HG2 LYS E 66 11.392 18.159 37.126 1.00 0.00 H ATOM 994 HG3 LYS E 66 13.169 18.100 37.202 1.00 0.00 H ATOM 995 HD2 LYS E 66 13.150 17.280 34.817 1.00 0.00 H ATOM 996 HD3 LYS E 66 11.404 17.617 34.785 1.00 0.00 H ATOM 997 HE2 LYS E 66 13.645 19.622 35.255 1.00 0.00 H ATOM 998 HE3 LYS E 66 11.913 19.998 35.409 1.00 0.00 H ATOM 999 HZ1 LYS E 66 13.263 18.999 32.934 1.00 0.00 H ATOM 1000 HZ2 LYS E 66 11.608 19.358 33.081 1.00 0.00 H ATOM 1001 HZ3 LYS E 66 12.762 20.599 33.211 1.00 0.00 H ATOM 1002 H LYS E 66 14.625 15.695 37.786 1.00 0.00 H ATOM 1003 N ASN E 67 12.248 13.404 38.587 1.00 25.44 N ATOM 1004 CA ASN E 67 11.552 12.165 38.881 1.00 26.03 C ATOM 1005 C ASN E 67 11.713 11.762 40.333 1.00 26.80 C ATOM 1006 O ASN E 67 11.283 10.665 40.719 1.00 28.21 O ATOM 1007 CB ASN E 67 12.100 11.023 38.018 1.00 26.10 C ATOM 1008 CG ASN E 67 13.482 10.540 38.319 1.00 27.61 C ATOM 1009 OD1 ASN E 67 14.200 11.011 39.202 1.00 32.49 O ATOM 1010 ND2 ASN E 67 13.971 9.522 37.613 1.00 28.09 N ATOM 1011 HA ASN E 67 10.498 12.341 38.666 1.00 0.00 H ATOM 1012 HB2 ASN E 67 11.425 10.175 38.129 1.00 0.00 H ATOM 1013 HB3 ASN E 67 12.089 11.361 36.982 1.00 0.00 H ATOM 1014 HD22 ASN E 67 13.401 9.092 36.857 1.00 0.00 H ATOM 1015 HD21 ASN E 67 14.923 9.157 37.818 1.00 0.00 H ATOM 1016 H ASN E 67 13.201 13.348 38.174 1.00 0.00 H ATOM 1017 N GLY E 68 12.379 12.552 41.150 1.00 26.20 N ATOM 1018 CA GLY E 68 12.547 12.171 42.556 1.00 26.95 C ATOM 1019 C GLY E 68 13.807 11.387 42.844 1.00 27.57 C ATOM 1020 O GLY E 68 14.145 11.199 44.027 1.00 28.24 O ATOM 1021 HA3 GLY E 68 11.692 11.562 42.849 1.00 0.00 H ATOM 1022 HA2 GLY E 68 12.566 13.081 43.156 1.00 0.00 H ATOM 1023 H GLY E 68 12.784 13.443 40.799 1.00 0.00 H ATOM 1024 N GLN E 69 14.502 10.864 41.843 1.00 26.51 N ATOM 1025 CA GLN E 69 15.736 10.136 42.137 1.00 27.50 C ATOM 1026 C GLN E 69 16.754 11.137 42.693 1.00 25.31 C ATOM 1027 O GLN E 69 16.599 12.336 42.451 1.00 24.52 O ATOM 1028 CB GLN E 69 16.340 9.625 40.862 1.00 33.22 C ATOM 1029 CG GLN E 69 15.641 8.414 40.254 1.00 44.21 C ATOM 1030 CD GLN E 69 16.497 8.010 39.038 1.00 54.13 C ATOM 1031 OE1 GLN E 69 16.822 8.869 38.195 1.00 58.85 O ATOM 1032 NE2 GLN E 69 16.911 6.748 39.012 1.00 58.12 N ATOM 1033 HA GLN E 69 15.512 9.323 42.827 1.00 0.00 H ATOM 1034 HB2 GLN E 69 16.316 10.432 40.130 1.00 0.00 H ATOM 1035 HB3 GLN E 69 17.375 9.351 41.065 1.00 0.00 H ATOM 1036 HG2 GLN E 69 15.595 7.598 40.976 1.00 0.00 H ATOM 1037 HG3 GLN E 69 14.631 8.676 39.939 1.00 0.00 H ATOM 1038 HE22 GLN E 69 16.600 6.083 39.749 1.00 0.00 H ATOM 1039 HE21 GLN E 69 17.546 6.425 38.255 1.00 0.00 H ATOM 1040 H GLN E 69 14.174 10.970 40.862 1.00 0.00 H ATOM 1041 N THR E 70 17.787 10.665 43.380 1.00 24.54 N ATOM 1042 CA THR E 70 18.775 11.591 43.935 1.00 24.25 C ATOM 1043 C THR E 70 20.157 11.495 43.314 1.00 20.71 C ATOM 1044 O THR E 70 21.154 11.813 43.962 1.00 21.88 O ATOM 1045 CB THR E 70 18.933 11.444 45.459 1.00 25.90 C ATOM 1046 OG1 THR E 70 19.021 10.051 45.779 1.00 31.68 O ATOM 1047 CG2 THR E 70 17.781 12.097 46.191 1.00 26.68 C ATOM 1048 HA THR E 70 18.358 12.567 43.686 1.00 0.00 H ATOM 1049 HB THR E 70 19.844 11.950 45.780 1.00 0.00 H ATOM 1050 HG1 THR E 70 19.123 9.944 46.758 1.00 0.00 H ATOM 1051 HG23 THR E 70 17.738 13.154 45.929 1.00 0.00 H ATOM 1052 HG21 THR E 70 16.848 11.612 45.904 1.00 0.00 H ATOM 1053 HG22 THR E 70 17.930 11.993 47.266 1.00 0.00 H ATOM 1054 H THR E 70 17.894 9.640 43.523 1.00 0.00 H ATOM 1055 N ASN E 71 20.239 11.102 42.059 1.00 18.95 N ATOM 1056 CA ASN E 71 21.538 11.000 41.386 1.00 17.66 C ATOM 1057 C ASN E 71 21.692 12.143 40.379 1.00 16.57 C ATOM 1058 O ASN E 71 22.335 11.995 39.352 1.00 17.07 O ATOM 1059 CB ASN E 71 21.715 9.647 40.719 1.00 17.02 C ATOM 1060 CG ASN E 71 20.655 9.323 39.679 1.00 16.48 C ATOM 1061 OD1 ASN E 71 21.006 8.715 38.659 1.00 19.86 O ATOM 1062 ND2 ASN E 71 19.425 9.704 39.882 1.00 15.14 N ATOM 1063 HA ASN E 71 22.324 11.088 42.136 1.00 0.00 H ATOM 1064 HB2 ASN E 71 22.690 9.631 40.231 1.00 0.00 H ATOM 1065 HB3 ASN E 71 21.684 8.878 41.491 1.00 0.00 H ATOM 1066 HD22 ASN E 71 19.175 10.213 40.754 1.00 0.00 H ATOM 1067 HD21 ASN E 71 18.693 9.499 39.172 1.00 0.00 H ATOM 1068 H ASN E 71 19.371 10.861 41.539 1.00 0.00 H ATOM 1069 N CYS E 72 21.098 13.296 40.699 1.00 16.13 N ATOM 1070 CA CYS E 72 21.190 14.479 39.875 1.00 17.48 C ATOM 1071 C CYS E 72 22.171 15.462 40.523 1.00 16.46 C ATOM 1072 O CYS E 72 22.332 15.411 41.726 1.00 16.78 O ATOM 1073 CB CYS E 72 19.871 15.161 39.542 1.00 17.87 C ATOM 1074 SG CYS E 72 19.031 14.274 38.182 1.00 19.52 S ATOM 1075 HA CYS E 72 21.554 14.140 38.905 1.00 0.00 H ATOM 1076 HB2 CYS E 72 20.064 16.190 39.237 1.00 0.00 H ATOM 1077 HB3 CYS E 72 19.231 15.159 40.424 1.00 0.00 H ATOM 1078 HG CYS E 72 20.357 13.895 38.147 1.00 0.00 H ATOM 1079 H CYS E 72 20.546 13.344 41.579 1.00 0.00 H ATOM 1080 N TYR E 73 22.884 16.229 39.705 1.00 17.50 N ATOM 1081 CA TYR E 73 23.904 17.178 40.137 1.00 15.65 C ATOM 1082 C TYR E 73 23.822 18.469 39.326 1.00 15.93 C ATOM 1083 O TYR E 73 23.710 18.412 38.097 1.00 16.26 O ATOM 1084 CB TYR E 73 25.318 16.604 39.882 1.00 12.66 C ATOM 1085 CG TYR E 73 25.509 15.388 40.751 1.00 12.05 C ATOM 1086 CD1 TYR E 73 25.053 14.155 40.294 1.00 13.54 C ATOM 1087 CD2 TYR E 73 26.021 15.479 42.033 1.00 16.36 C ATOM 1088 CE1 TYR E 73 25.131 13.029 41.065 1.00 16.12 C ATOM 1089 CE2 TYR E 73 26.126 14.342 42.844 1.00 16.60 C ATOM 1090 CZ TYR E 73 25.663 13.143 42.347 1.00 19.19 C ATOM 1091 OH TYR E 73 25.725 11.989 43.098 1.00 25.36 O ATOM 1092 HA TYR E 73 23.732 17.366 41.197 1.00 0.00 H ATOM 1093 HB3 TYR E 73 26.069 17.354 40.130 1.00 0.00 H ATOM 1094 HB2 TYR E 73 25.417 16.325 38.833 1.00 0.00 H ATOM 1095 HD2 TYR E 73 26.346 16.446 42.416 1.00 0.00 H ATOM 1096 HE2 TYR E 73 26.562 14.404 43.841 1.00 0.00 H ATOM 1097 HE1 TYR E 73 24.786 12.067 40.686 1.00 0.00 H ATOM 1098 HD1 TYR E 73 24.622 14.085 39.295 1.00 0.00 H ATOM 1099 HH TYR E 73 25.348 11.237 42.577 1.00 0.00 H ATOM 1100 H TYR E 73 22.702 16.147 38.684 1.00 0.00 H ATOM 1101 N GLN E 74 23.898 19.577 40.032 1.00 14.41 N ATOM 1102 CA GLN E 74 23.842 20.879 39.378 1.00 17.02 C ATOM 1103 C GLN E 74 25.246 21.481 39.287 1.00 17.00 C ATOM 1104 O GLN E 74 26.044 21.293 40.209 1.00 16.49 O ATOM 1105 CB GLN E 74 22.890 21.799 40.137 1.00 15.78 C ATOM 1106 CG GLN E 74 22.884 23.220 39.653 1.00 22.41 C ATOM 1107 CD GLN E 74 21.785 24.090 40.202 1.00 25.21 C ATOM 1108 OE1 GLN E 74 21.972 25.289 40.411 1.00 30.42 O ATOM 1109 NE2 GLN E 74 20.606 23.527 40.444 1.00 28.77 N ATOM 1110 HA GLN E 74 23.462 20.761 38.363 1.00 0.00 H ATOM 1111 HB2 GLN E 74 21.880 21.401 40.039 1.00 0.00 H ATOM 1112 HB3 GLN E 74 23.179 21.798 41.188 1.00 0.00 H ATOM 1113 HG2 GLN E 74 23.838 23.672 39.926 1.00 0.00 H ATOM 1114 HG3 GLN E 74 22.789 23.204 38.567 1.00 0.00 H ATOM 1115 HE22 GLN E 74 20.467 22.513 40.261 1.00 0.00 H ATOM 1116 HE21 GLN E 74 19.822 24.101 40.816 1.00 0.00 H ATOM 1117 H GLN E 74 23.999 19.523 41.066 1.00 0.00 H ATOM 1118 N SER E 75 25.545 22.169 38.182 1.00 16.42 N ATOM 1119 CA SER E 75 26.864 22.783 38.032 1.00 16.10 C ATOM 1120 C SER E 75 26.999 23.948 39.006 1.00 16.73 C ATOM 1121 O SER E 75 26.027 24.653 39.287 1.00 17.18 O ATOM 1122 CB SER E 75 27.087 23.237 36.606 1.00 14.78 C ATOM 1123 OG SER E 75 26.116 24.203 36.181 1.00 18.32 O ATOM 1124 HA SER E 75 27.629 22.042 38.263 1.00 0.00 H ATOM 1125 HB2 SER E 75 27.029 22.369 35.949 1.00 0.00 H ATOM 1126 HB3 SER E 75 28.079 23.682 36.531 1.00 0.00 H ATOM 1127 HG SER E 75 26.166 24.999 36.767 1.00 0.00 H ATOM 1128 H SER E 75 24.838 22.268 37.426 1.00 0.00 H ATOM 1129 N TYR E 76 28.187 24.141 39.581 1.00 18.32 N ATOM 1130 CA TYR E 76 28.364 25.255 40.536 1.00 18.71 C ATOM 1131 C TYR E 76 28.325 26.562 39.738 1.00 20.05 C ATOM 1132 O TYR E 76 27.800 27.597 40.150 1.00 19.93 O ATOM 1133 CB TYR E 76 29.667 25.136 41.281 1.00 18.07 C ATOM 1134 CG TYR E 76 29.906 24.016 42.249 1.00 18.56 C ATOM 1135 CD1 TYR E 76 29.053 23.789 43.327 1.00 21.17 C ATOM 1136 CD2 TYR E 76 31.015 23.198 42.144 1.00 16.66 C ATOM 1137 CE1 TYR E 76 29.299 22.760 44.236 1.00 19.69 C ATOM 1138 CE2 TYR E 76 31.275 22.180 43.040 1.00 19.29 C ATOM 1139 CZ TYR E 76 30.408 21.976 44.099 1.00 20.19 C ATOM 1140 OH TYR E 76 30.664 20.953 45.008 1.00 25.02 O ATOM 1141 HA TYR E 76 27.567 25.232 41.280 1.00 0.00 H ATOM 1142 HB3 TYR E 76 29.788 26.062 41.843 1.00 0.00 H ATOM 1143 HB2 TYR E 76 30.450 25.065 40.526 1.00 0.00 H ATOM 1144 HD2 TYR E 76 31.712 23.363 41.322 1.00 0.00 H ATOM 1145 HE2 TYR E 76 32.152 21.545 42.915 1.00 0.00 H ATOM 1146 HE1 TYR E 76 28.605 22.582 45.057 1.00 0.00 H ATOM 1147 HD1 TYR E 76 28.179 24.426 43.462 1.00 0.00 H ATOM 1148 HH TYR E 76 29.955 20.942 45.699 1.00 0.00 H ATOM 1149 H TYR E 76 28.984 23.511 39.359 1.00 0.00 H ATOM 1150 N SER E 77 28.863 26.483 38.496 1.00 19.81 N ATOM 1151 CA SER E 77 28.873 27.671 37.646 1.00 19.92 C ATOM 1152 C SER E 77 27.895 27.580 36.489 1.00 18.60 C ATOM 1153 O SER E 77 27.324 26.522 36.234 1.00 19.56 O ATOM 1154 CB SER E 77 30.264 27.830 36.985 1.00 21.15 C ATOM 1155 OG SER E 77 30.507 29.239 36.848 1.00 26.42 O ATOM 1156 HA SER E 77 28.607 28.501 38.300 1.00 0.00 H ATOM 1157 HB2 SER E 77 30.270 27.352 36.005 1.00 0.00 H ATOM 1158 HB3 SER E 77 31.031 27.377 37.613 1.00 0.00 H ATOM 1159 HG SER E 77 31.392 29.381 36.427 1.00 0.00 H ATOM 1160 H SER E 77 29.264 25.587 38.152 1.00 0.00 H ATOM 1161 N THR E 78 27.740 28.677 35.776 1.00 19.94 N ATOM 1162 CA THR E 78 26.891 28.762 34.593 1.00 18.19 C ATOM 1163 C THR E 78 27.668 28.233 33.390 1.00 18.32 C ATOM 1164 O THR E 78 28.902 28.233 33.357 1.00 18.41 O ATOM 1165 CB THR E 78 26.441 30.188 34.292 1.00 20.78 C ATOM 1166 OG1 THR E 78 27.517 31.109 34.423 1.00 22.62 O ATOM 1167 CG2 THR E 78 25.381 30.592 35.318 1.00 25.45 C ATOM 1168 HA THR E 78 25.998 28.168 34.788 1.00 0.00 H ATOM 1169 HB THR E 78 26.060 30.213 33.271 1.00 0.00 H ATOM 1170 HG1 THR E 78 27.194 32.023 34.222 1.00 0.00 H ATOM 1171 HG23 THR E 78 24.534 29.909 35.252 1.00 0.00 H ATOM 1172 HG21 THR E 78 25.810 30.545 36.319 1.00 0.00 H ATOM 1173 HG22 THR E 78 25.046 31.609 35.112 1.00 0.00 H ATOM 1174 H THR E 78 28.253 29.532 36.074 1.00 0.00 H ATOM 1175 N MET E 79 26.946 27.710 32.409 1.00 15.70 N ATOM 1176 CA MET E 79 27.586 27.182 31.212 1.00 14.78 C ATOM 1177 C MET E 79 26.835 27.676 29.990 1.00 14.95 C ATOM 1178 O MET E 79 25.653 28.006 30.107 1.00 14.69 O ATOM 1179 CB MET E 79 27.530 25.653 31.232 1.00 15.53 C ATOM 1180 CG MET E 79 28.436 25.062 32.311 1.00 15.03 C ATOM 1181 SD MET E 79 28.456 23.277 32.265 1.00 18.33 S ATOM 1182 CE MET E 79 29.657 22.890 33.520 1.00 16.84 C ATOM 1183 HA MET E 79 28.624 27.514 31.181 1.00 0.00 H ATOM 1184 HB2 MET E 79 26.504 25.340 31.424 1.00 0.00 H ATOM 1185 HB3 MET E 79 27.848 25.276 30.260 1.00 0.00 H ATOM 1186 HG2 MET E 79 28.077 25.385 33.288 1.00 0.00 H ATOM 1187 HG3 MET E 79 29.451 25.430 32.159 1.00 0.00 H ATOM 1188 HE1 MET E 79 30.615 23.336 33.254 1.00 0.00 H ATOM 1189 HE2 MET E 79 29.322 23.290 34.477 1.00 0.00 H ATOM 1190 HE3 MET E 79 29.766 21.808 33.595 1.00 0.00 H ATOM 1191 H MET E 79 25.910 27.676 32.495 1.00 0.00 H ATOM 1192 N SER E 80 27.517 27.744 28.865 1.00 13.73 N ATOM 1193 CA SER E 80 26.874 28.187 27.636 1.00 14.29 C ATOM 1194 C SER E 80 25.998 27.045 27.126 1.00 14.51 C ATOM 1195 O SER E 80 26.457 25.931 26.910 1.00 16.26 O ATOM 1196 CB SER E 80 27.865 28.517 26.518 1.00 14.10 C ATOM 1197 OG SER E 80 27.159 28.716 25.296 1.00 16.98 O ATOM 1198 HA SER E 80 26.316 29.092 27.875 1.00 0.00 H ATOM 1199 HB2 SER E 80 28.568 27.692 26.401 1.00 0.00 H ATOM 1200 HB3 SER E 80 28.411 29.425 26.774 1.00 0.00 H ATOM 1201 HG SER E 80 27.803 28.929 24.575 1.00 0.00 H ATOM 1202 H SER E 80 28.523 27.479 28.855 1.00 0.00 H ATOM 1203 N ILE E 81 24.718 27.318 26.950 1.00 15.04 N ATOM 1204 CA ILE E 81 23.819 26.272 26.479 1.00 16.20 C ATOM 1205 C ILE E 81 22.897 26.823 25.400 1.00 14.94 C ATOM 1206 O ILE E 81 22.824 28.028 25.178 1.00 15.85 O ATOM 1207 CB ILE E 81 23.025 25.658 27.643 1.00 18.04 C ATOM 1208 CG1 ILE E 81 22.116 26.653 28.355 1.00 19.71 C ATOM 1209 CG2 ILE E 81 23.970 25.101 28.708 1.00 16.33 C ATOM 1210 CD1 ILE E 81 20.642 26.454 28.107 1.00 22.57 C ATOM 1211 HA ILE E 81 24.414 25.471 26.041 1.00 0.00 H ATOM 1212 HB ILE E 81 22.416 24.880 27.183 1.00 0.00 H ATOM 1213 HG12 ILE E 81 22.294 26.568 29.427 1.00 0.00 H ATOM 1214 HG13 ILE E 81 22.384 27.656 28.022 1.00 0.00 H ATOM 1215 HD11 ILE E 81 20.438 26.549 27.040 1.00 0.00 H ATOM 1216 HD12 ILE E 81 20.348 25.461 28.447 1.00 0.00 H ATOM 1217 HD13 ILE E 81 20.078 27.209 28.655 1.00 0.00 H ATOM 1218 HG21 ILE E 81 24.600 24.330 28.265 1.00 0.00 H ATOM 1219 HG22 ILE E 81 24.596 25.906 29.094 1.00 0.00 H ATOM 1220 HG23 ILE E 81 23.386 24.672 29.522 1.00 0.00 H ATOM 1221 H ILE E 81 24.354 28.272 27.146 1.00 0.00 H ATOM 1222 N THR E 82 22.247 25.925 24.674 1.00 14.64 N ATOM 1223 CA THR E 82 21.282 26.255 23.648 1.00 10.45 C ATOM 1224 C THR E 82 20.055 25.391 23.909 1.00 10.98 C ATOM 1225 O THR E 82 20.160 24.163 23.824 1.00 11.70 O ATOM 1226 CB THR E 82 21.686 26.022 22.203 1.00 9.75 C ATOM 1227 OG1 THR E 82 22.864 26.766 21.876 1.00 10.74 O ATOM 1228 CG2 THR E 82 20.586 26.505 21.248 1.00 12.23 C ATOM 1229 HA THR E 82 21.137 27.332 23.729 1.00 0.00 H ATOM 1230 HB THR E 82 21.859 24.951 22.094 1.00 0.00 H ATOM 1231 HG1 THR E 82 23.607 26.481 22.465 1.00 0.00 H ATOM 1232 HG23 THR E 82 19.662 25.966 21.457 1.00 0.00 H ATOM 1233 HG21 THR E 82 20.425 27.573 21.392 1.00 0.00 H ATOM 1234 HG22 THR E 82 20.892 26.318 20.219 1.00 0.00 H ATOM 1235 H THR E 82 22.443 24.919 24.853 1.00 0.00 H ATOM 1236 N ASP E 83 18.942 26.044 24.243 1.00 11.02 N ATOM 1237 CA ASP E 83 17.689 25.306 24.472 1.00 11.43 C ATOM 1238 C ASP E 83 16.960 25.215 23.118 1.00 10.65 C ATOM 1239 O ASP E 83 16.839 26.198 22.380 1.00 9.75 O ATOM 1240 CB ASP E 83 16.855 25.988 25.551 1.00 12.54 C ATOM 1241 CG ASP E 83 15.457 25.442 25.760 1.00 17.07 C ATOM 1242 OD1 ASP E 83 14.516 25.721 24.975 1.00 16.71 O ATOM 1243 OD2 ASP E 83 15.241 24.692 26.734 1.00 18.97 O ATOM 1244 HA ASP E 83 17.880 24.299 24.842 1.00 0.00 H ATOM 1245 HB2 ASP E 83 17.393 25.897 26.495 1.00 0.00 H ATOM 1246 HB3 ASP E 83 16.765 27.041 25.286 1.00 0.00 H ATOM 1247 H ASP E 83 18.959 27.079 24.342 1.00 0.00 H ATOM 1248 N CYS E 84 16.498 24.027 22.752 1.00 11.23 N ATOM 1249 CA CYS E 84 15.805 23.782 21.490 1.00 11.76 C ATOM 1250 C CYS E 84 14.394 23.339 21.804 1.00 14.97 C ATOM 1251 O CYS E 84 14.184 22.350 22.517 1.00 18.47 O ATOM 1252 CB CYS E 84 16.491 22.708 20.647 1.00 11.40 C ATOM 1253 SG CYS E 84 18.125 23.185 20.059 1.00 15.27 S ATOM 1254 HA CYS E 84 15.816 24.705 20.910 1.00 0.00 H ATOM 1255 HB2 CYS E 84 15.862 22.495 19.782 1.00 0.00 H ATOM 1256 HB3 CYS E 84 16.592 21.807 21.252 1.00 0.00 H ATOM 1257 HG CYS E 84 18.526 23.523 21.335 1.00 0.00 H ATOM 1258 H CYS E 84 16.637 23.225 23.400 1.00 0.00 H ATOM 1259 N ARG E 85 13.393 24.049 21.294 1.00 15.86 N ATOM 1260 CA ARG E 85 12.018 23.691 21.608 1.00 16.53 C ATOM 1261 C ARG E 85 11.198 23.612 20.346 1.00 16.33 C ATOM 1262 O ARG E 85 11.293 24.538 19.536 1.00 18.94 O ATOM 1263 CB ARG E 85 11.421 24.839 22.484 1.00 18.14 C ATOM 1264 CG ARG E 85 9.984 24.498 22.844 1.00 21.28 C ATOM 1265 CD ARG E 85 9.570 24.930 24.197 1.00 28.32 C ATOM 1266 NE ARG E 85 10.046 24.322 25.413 1.00 24.55 N ATOM 1267 CZ ARG E 85 9.403 23.595 26.322 1.00 21.66 C ATOM 1268 NH1 ARG E 85 8.130 23.277 26.211 1.00 17.01 N ATOM 1269 NH2 ARG E 85 10.099 23.254 27.407 1.00 20.48 N ATOM 1270 HA ARG E 85 11.999 22.728 22.119 1.00 0.00 H ATOM 1271 HB2 ARG E 85 12.010 24.946 23.395 1.00 0.00 H ATOM 1272 HB3 ARG E 85 11.445 25.774 21.925 1.00 0.00 H ATOM 1273 HG2 ARG E 85 9.328 24.978 22.118 1.00 0.00 H ATOM 1274 HG3 ARG E 85 9.865 23.416 22.781 1.00 0.00 H ATOM 1275 HD2 ARG E 85 8.485 24.831 24.221 1.00 0.00 H ATOM 1276 HD3 ARG E 85 9.839 25.984 24.267 1.00 0.00 H ATOM 1277 HE ARG E 85 11.055 24.476 25.612 1.00 0.00 H ATOM 1278 HH12 ARG E 85 7.670 22.706 26.949 1.00 0.00 H ATOM 1279 HH11 ARG E 85 7.584 23.597 25.386 1.00 0.00 H ATOM 1280 HH22 ARG E 85 9.652 22.686 28.154 1.00 0.00 H ATOM 1281 HH21 ARG E 85 11.089 23.556 27.506 1.00 0.00 H ATOM 1282 H ARG E 85 13.592 24.858 20.672 1.00 0.00 H ATOM 1283 N GLU E 86 10.417 22.566 20.196 1.00 16.59 N ATOM 1284 CA GLU E 86 9.606 22.412 19.006 1.00 18.11 C ATOM 1285 C GLU E 86 8.586 23.532 18.882 1.00 19.20 C ATOM 1286 O GLU E 86 7.989 23.884 19.908 1.00 17.93 O ATOM 1287 CB GLU E 86 8.835 21.099 19.097 1.00 20.90 C ATOM 1288 CG GLU E 86 8.448 20.531 17.744 1.00 25.72 C ATOM 1289 CD GLU E 86 7.618 19.263 17.816 1.00 28.79 C ATOM 1290 OE1 GLU E 86 7.355 18.695 18.895 1.00 28.64 O ATOM 1291 OE2 GLU E 86 7.204 18.809 16.718 1.00 31.16 O ATOM 1292 HA GLU E 86 10.271 22.431 18.143 1.00 0.00 H ATOM 1293 HB2 GLU E 86 9.457 20.368 19.614 1.00 0.00 H ATOM 1294 HB3 GLU E 86 7.925 21.271 19.672 1.00 0.00 H ATOM 1295 HG2 GLU E 86 7.873 21.286 17.208 1.00 0.00 H ATOM 1296 HG3 GLU E 86 9.361 20.311 17.191 1.00 0.00 H ATOM 1297 H GLU E 86 10.381 21.840 20.940 1.00 0.00 H ATOM 1298 N THR E 87 8.356 24.055 17.679 1.00 20.67 N ATOM 1299 CA THR E 87 7.385 25.123 17.489 1.00 21.74 C ATOM 1300 C THR E 87 5.967 24.566 17.424 1.00 22.62 C ATOM 1301 O THR E 87 5.724 23.384 17.215 1.00 22.89 O ATOM 1302 CB THR E 87 7.601 25.930 16.208 1.00 22.08 C ATOM 1303 OG1 THR E 87 7.306 25.021 15.149 1.00 25.84 O ATOM 1304 CG2 THR E 87 9.032 26.408 16.070 1.00 20.26 C ATOM 1305 HA THR E 87 7.525 25.778 18.349 1.00 0.00 H ATOM 1306 HB THR E 87 6.975 26.822 16.204 1.00 0.00 H ATOM 1307 HG1 THR E 87 7.426 25.479 14.280 1.00 0.00 H ATOM 1308 HG23 THR E 87 9.261 27.103 16.878 1.00 0.00 H ATOM 1309 HG21 THR E 87 9.706 25.553 16.123 1.00 0.00 H ATOM 1310 HG22 THR E 87 9.155 26.911 15.111 1.00 0.00 H ATOM 1311 H THR E 87 8.881 23.693 16.858 1.00 0.00 H ATOM 1312 N GLY E 88 5.002 25.464 17.646 1.00 25.58 N ATOM 1313 CA GLY E 88 3.591 25.078 17.672 1.00 29.99 C ATOM 1314 C GLY E 88 3.158 24.544 16.312 1.00 33.40 C ATOM 1315 O GLY E 88 2.318 23.646 16.260 1.00 35.68 O ATOM 1316 HA3 GLY E 88 2.985 25.948 17.925 1.00 0.00 H ATOM 1317 HA2 GLY E 88 3.445 24.304 18.425 1.00 0.00 H ATOM 1318 H GLY E 88 5.260 26.459 17.804 1.00 0.00 H ATOM 1319 N SER E 89 3.716 25.078 15.240 1.00 35.39 N ATOM 1320 CA SER E 89 3.358 24.617 13.906 1.00 38.82 C ATOM 1321 C SER E 89 4.083 23.338 13.494 1.00 39.25 C ATOM 1322 O SER E 89 3.519 22.577 12.710 1.00 40.60 O ATOM 1323 CB SER E 89 3.680 25.674 12.841 1.00 39.28 C ATOM 1324 OG SER E 89 5.088 25.828 12.710 1.00 44.71 O ATOM 1325 HA SER E 89 2.287 24.424 13.961 1.00 0.00 H ATOM 1326 HB2 SER E 89 3.239 26.627 13.134 1.00 0.00 H ATOM 1327 HB3 SER E 89 3.261 25.361 11.885 1.00 0.00 H ATOM 1328 HG SER E 89 5.281 26.512 12.021 1.00 0.00 H ATOM 1329 H SER E 89 4.419 25.836 15.350 1.00 0.00 H ATOM 1330 N SER E 90 5.291 23.100 13.946 1.00 38.77 N ATOM 1331 CA SER E 90 6.069 21.923 13.606 1.00 39.10 C ATOM 1332 C SER E 90 5.235 20.661 13.468 1.00 41.27 C ATOM 1333 O SER E 90 4.333 20.406 14.279 1.00 41.98 O ATOM 1334 CB SER E 90 7.076 21.702 14.756 1.00 35.62 C ATOM 1335 OG SER E 90 7.939 20.639 14.469 1.00 33.35 O ATOM 1336 HA SER E 90 6.540 22.100 12.639 1.00 0.00 H ATOM 1337 HB2 SER E 90 6.528 21.480 15.672 1.00 0.00 H ATOM 1338 HB3 SER E 90 7.663 22.610 14.896 1.00 0.00 H ATOM 1339 HG SER E 90 7.411 19.811 14.345 1.00 0.00 H ATOM 1340 H SER E 90 5.718 23.798 14.588 1.00 0.00 H ATOM 1341 N LYS E 91 5.494 19.849 12.435 1.00 41.46 N ATOM 1342 CA LYS E 91 4.759 18.598 12.239 1.00 43.92 C ATOM 1343 C LYS E 91 5.707 17.592 11.585 1.00 42.04 C ATOM 1344 O LYS E 91 6.288 17.893 10.546 1.00 42.00 O ATOM 1345 CB LYS E 91 3.535 18.706 11.337 1.00 48.78 C ATOM 1346 CG LYS E 91 3.712 19.740 10.199 1.00 56.32 C ATOM 1347 CD LYS E 91 2.797 20.940 10.422 1.00 61.23 C ATOM 1348 CE LYS E 91 3.168 22.184 9.630 1.00 62.32 C ATOM 1349 NZ LYS E 91 2.265 23.350 9.925 1.00 60.55 N ATOM 1350 HA LYS E 91 4.404 18.300 13.225 1.00 0.00 H ATOM 1351 HB2 LYS E 91 3.343 17.729 10.893 1.00 0.00 H ATOM 1352 HB3 LYS E 91 2.680 19.001 11.945 1.00 0.00 H ATOM 1353 HG2 LYS E 91 4.748 20.077 10.178 1.00 0.00 H ATOM 1354 HG3 LYS E 91 3.464 19.272 9.246 1.00 0.00 H ATOM 1355 HD2 LYS E 91 1.784 20.650 10.143 1.00 0.00 H ATOM 1356 HD3 LYS E 91 2.822 21.193 11.482 1.00 0.00 H ATOM 1357 HE2 LYS E 91 3.104 21.953 8.567 1.00 0.00 H ATOM 1358 HE3 LYS E 91 4.192 22.464 9.879 1.00 0.00 H ATOM 1359 HZ1 LYS E 91 1.285 23.098 9.683 1.00 0.00 H ATOM 1360 HZ2 LYS E 91 2.324 23.586 10.936 1.00 0.00 H ATOM 1361 HZ3 LYS E 91 2.563 24.170 9.359 1.00 0.00 H ATOM 1362 H LYS E 91 6.235 20.114 11.755 1.00 0.00 H ATOM 1363 N TYR E 92 5.865 16.455 12.226 1.00 41.27 N ATOM 1364 CA TYR E 92 6.734 15.392 11.736 1.00 40.95 C ATOM 1365 C TYR E 92 6.285 14.943 10.350 1.00 41.75 C ATOM 1366 O TYR E 92 5.074 14.801 10.121 1.00 41.83 O ATOM 1367 CB TYR E 92 6.587 14.204 12.710 1.00 39.42 C ATOM 1368 CG TYR E 92 7.466 13.079 12.220 1.00 43.53 C ATOM 1369 CD1 TYR E 92 8.851 13.170 12.337 1.00 45.07 C ATOM 1370 CD2 TYR E 92 6.915 11.976 11.585 1.00 44.80 C ATOM 1371 CE1 TYR E 92 9.675 12.175 11.847 1.00 46.31 C ATOM 1372 CE2 TYR E 92 7.735 10.965 11.115 1.00 46.27 C ATOM 1373 CZ TYR E 92 9.104 11.073 11.245 1.00 46.70 C ATOM 1374 OH TYR E 92 9.907 10.067 10.762 1.00 48.71 O ATOM 1375 HA TYR E 92 7.764 15.742 11.675 1.00 0.00 H ATOM 1376 HB3 TYR E 92 5.548 13.876 12.737 1.00 0.00 H ATOM 1377 HB2 TYR E 92 6.898 14.506 13.710 1.00 0.00 H ATOM 1378 HD2 TYR E 92 5.835 11.905 11.456 1.00 0.00 H ATOM 1379 HE2 TYR E 92 7.300 10.084 10.643 1.00 0.00 H ATOM 1380 HE1 TYR E 92 10.758 12.259 11.935 1.00 0.00 H ATOM 1381 HD1 TYR E 92 9.292 14.040 12.823 1.00 0.00 H ATOM 1382 HH TYR E 92 10.856 10.294 10.931 1.00 0.00 H ATOM 1383 H TYR E 92 5.350 16.308 13.117 1.00 0.00 H ATOM 1384 N PRO E 93 7.197 14.693 9.421 1.00 41.54 N ATOM 1385 CA PRO E 93 8.615 14.795 9.617 1.00 40.00 C ATOM 1386 C PRO E 93 9.274 16.120 9.362 1.00 39.16 C ATOM 1387 O PRO E 93 10.511 16.137 9.304 1.00 38.18 O ATOM 1388 CB PRO E 93 9.136 13.801 8.526 1.00 42.37 C ATOM 1389 CG PRO E 93 8.218 14.176 7.394 1.00 42.52 C ATOM 1390 CD PRO E 93 6.866 14.244 8.048 1.00 41.47 C ATOM 1391 HA PRO E 93 8.841 14.611 10.667 1.00 0.00 H ATOM 1392 HD3 PRO E 93 6.219 14.962 7.543 1.00 0.00 H ATOM 1393 HD2 PRO E 93 6.383 13.267 8.058 1.00 0.00 H ATOM 1394 HG3 PRO E 93 8.235 13.418 6.611 1.00 0.00 H ATOM 1395 HG2 PRO E 93 8.495 15.141 6.970 1.00 0.00 H ATOM 1396 HB2 PRO E 93 10.182 13.980 8.278 1.00 0.00 H ATOM 1397 HB3 PRO E 93 9.008 12.761 8.827 1.00 0.00 H ATOM 1398 N ASN E 94 8.520 17.188 9.192 1.00 40.07 N ATOM 1399 CA ASN E 94 9.156 18.507 8.970 1.00 41.86 C ATOM 1400 C ASN E 94 9.238 19.218 10.330 1.00 38.62 C ATOM 1401 O ASN E 94 8.441 20.110 10.618 1.00 38.56 O ATOM 1402 CB ASN E 94 8.287 19.342 8.022 1.00 46.94 C ATOM 1403 CG ASN E 94 7.945 18.547 6.754 1.00 50.28 C ATOM 1404 OD1 ASN E 94 8.874 18.007 6.133 1.00 52.14 O ATOM 1405 ND2 ASN E 94 6.669 18.473 6.401 1.00 47.79 N ATOM 1406 HA ASN E 94 10.147 18.384 8.532 1.00 0.00 H ATOM 1407 HB2 ASN E 94 7.364 19.617 8.532 1.00 0.00 H ATOM 1408 HB3 ASN E 94 8.829 20.245 7.742 1.00 0.00 H ATOM 1409 HD22 ASN E 94 5.943 18.952 6.971 1.00 0.00 H ATOM 1410 HD21 ASN E 94 6.394 17.936 5.554 1.00 0.00 H ATOM 1411 H ASN E 94 7.484 17.105 9.214 1.00 0.00 H ATOM 1412 N CYS E 95 10.170 18.763 11.160 1.00 34.09 N ATOM 1413 CA CYS E 95 10.334 19.309 12.507 1.00 30.11 C ATOM 1414 C CYS E 95 10.965 20.684 12.520 1.00 27.21 C ATOM 1415 O CYS E 95 11.988 20.934 11.886 1.00 29.77 O ATOM 1416 CB CYS E 95 11.201 18.365 13.357 1.00 26.88 C ATOM 1417 SG CYS E 95 10.567 16.677 13.364 1.00 25.24 S ATOM 1418 HA CYS E 95 9.330 19.399 12.923 1.00 0.00 H ATOM 1419 HB2 CYS E 95 11.223 18.736 14.382 1.00 0.00 H ATOM 1420 HB3 CYS E 95 12.213 18.358 12.952 1.00 0.00 H ATOM 1421 HG CYS E 95 10.277 16.810 12.021 1.00 0.00 H ATOM 1422 H CYS E 95 10.800 17.998 10.844 1.00 0.00 H ATOM 1423 N ALA E 96 10.358 21.599 13.253 1.00 24.43 N ATOM 1424 CA ALA E 96 10.853 22.969 13.351 1.00 22.11 C ATOM 1425 C ALA E 96 11.053 23.293 14.835 1.00 20.85 C ATOM 1426 O ALA E 96 10.243 22.935 15.691 1.00 21.50 O ATOM 1427 CB ALA E 96 9.856 23.935 12.769 1.00 21.84 C ATOM 1428 HA ALA E 96 11.788 23.060 12.798 1.00 0.00 H ATOM 1429 HB1 ALA E 96 9.688 23.694 11.719 1.00 0.00 H ATOM 1430 HB2 ALA E 96 8.916 23.858 13.316 1.00 0.00 H ATOM 1431 HB3 ALA E 96 10.244 24.950 12.852 1.00 0.00 H ATOM 1432 H ALA E 96 9.500 21.335 13.778 1.00 0.00 H ATOM 1433 N TYR E 97 12.156 23.964 15.109 1.00 19.42 N ATOM 1434 CA TYR E 97 12.487 24.276 16.489 1.00 19.01 C ATOM 1435 C TYR E 97 12.786 25.737 16.711 1.00 17.96 C ATOM 1436 O TYR E 97 13.170 26.402 15.757 1.00 21.00 O ATOM 1437 CB TYR E 97 13.826 23.515 16.790 1.00 17.64 C ATOM 1438 CG TYR E 97 13.511 22.037 16.881 1.00 16.82 C ATOM 1439 CD1 TYR E 97 13.045 21.526 18.091 1.00 13.47 C ATOM 1440 CD2 TYR E 97 13.603 21.184 15.783 1.00 17.47 C ATOM 1441 CE1 TYR E 97 12.710 20.196 18.195 1.00 14.13 C ATOM 1442 CE2 TYR E 97 13.252 19.837 15.900 1.00 16.23 C ATOM 1443 CZ TYR E 97 12.802 19.354 17.110 1.00 14.77 C ATOM 1444 OH TYR E 97 12.438 18.041 17.273 1.00 16.81 O ATOM 1445 HA TYR E 97 11.640 23.999 17.117 1.00 0.00 H ATOM 1446 HB3 TYR E 97 14.246 23.863 17.734 1.00 0.00 H ATOM 1447 HB2 TYR E 97 14.542 23.693 15.987 1.00 0.00 H ATOM 1448 HD2 TYR E 97 13.952 21.571 14.825 1.00 0.00 H ATOM 1449 HE2 TYR E 97 13.333 19.172 15.040 1.00 0.00 H ATOM 1450 HE1 TYR E 97 12.366 19.803 19.152 1.00 0.00 H ATOM 1451 HD1 TYR E 97 12.946 22.181 18.956 1.00 0.00 H ATOM 1452 HH TYR E 97 12.146 17.894 18.207 1.00 0.00 H ATOM 1453 H TYR E 97 12.786 24.268 14.340 1.00 0.00 H ATOM 1454 N LYS E 98 12.645 26.209 17.927 1.00 17.93 N ATOM 1455 CA LYS E 98 12.950 27.579 18.313 1.00 16.06 C ATOM 1456 C LYS E 98 14.237 27.522 19.137 1.00 15.13 C ATOM 1457 O LYS E 98 14.319 26.755 20.091 1.00 15.06 O ATOM 1458 CB LYS E 98 11.812 28.153 19.156 1.00 17.98 C ATOM 1459 CG LYS E 98 12.146 29.506 19.738 1.00 20.70 C ATOM 1460 CD LYS E 98 11.100 30.000 20.719 1.00 26.67 C ATOM 1461 CE LYS E 98 11.713 31.086 21.621 1.00 27.95 C ATOM 1462 NZ LYS E 98 11.815 32.387 20.909 1.00 25.89 N ATOM 1463 HA LYS E 98 13.069 28.218 17.438 1.00 0.00 H ATOM 1464 HB2 LYS E 98 10.927 28.252 18.527 1.00 0.00 H ATOM 1465 HB3 LYS E 98 11.600 27.464 19.973 1.00 0.00 H ATOM 1466 HG2 LYS E 98 13.103 29.436 20.255 1.00 0.00 H ATOM 1467 HG3 LYS E 98 12.227 30.225 18.923 1.00 0.00 H ATOM 1468 HD2 LYS E 98 10.256 30.417 20.170 1.00 0.00 H ATOM 1469 HD3 LYS E 98 10.757 29.168 21.334 1.00 0.00 H ATOM 1470 HE2 LYS E 98 12.710 30.771 21.929 1.00 0.00 H ATOM 1471 HE3 LYS E 98 11.084 31.212 22.503 1.00 0.00 H ATOM 1472 HZ1 LYS E 98 12.418 32.275 20.069 1.00 0.00 H ATOM 1473 HZ2 LYS E 98 10.866 32.696 20.617 1.00 0.00 H ATOM 1474 HZ3 LYS E 98 12.232 33.097 21.545 1.00 0.00 H ATOM 1475 H LYS E 98 12.293 25.563 18.662 1.00 0.00 H ATOM 1476 N THR E 99 15.257 28.255 18.758 1.00 13.30 N ATOM 1477 CA THR E 99 16.547 28.318 19.398 1.00 15.39 C ATOM 1478 C THR E 99 16.701 29.460 20.405 1.00 17.05 C ATOM 1479 O THR E 99 16.465 30.654 20.131 1.00 18.01 O ATOM 1480 CB THR E 99 17.653 28.528 18.326 1.00 14.64 C ATOM 1481 OG1 THR E 99 17.557 27.499 17.339 1.00 16.10 O ATOM 1482 CG2 THR E 99 19.060 28.568 18.895 1.00 12.94 C ATOM 1483 HA THR E 99 16.640 27.374 19.934 1.00 0.00 H ATOM 1484 HB THR E 99 17.478 29.509 17.884 1.00 0.00 H ATOM 1485 HG1 THR E 99 17.677 26.617 17.771 1.00 0.00 H ATOM 1486 HG23 THR E 99 19.124 29.355 19.646 1.00 0.00 H ATOM 1487 HG21 THR E 99 19.293 27.607 19.353 1.00 0.00 H ATOM 1488 HG22 THR E 99 19.769 28.771 18.093 1.00 0.00 H ATOM 1489 H THR E 99 15.122 28.848 17.914 1.00 0.00 H ATOM 1490 N THR E 100 17.180 29.097 21.602 1.00 15.52 N ATOM 1491 CA THR E 100 17.443 30.063 22.661 1.00 16.69 C ATOM 1492 C THR E 100 18.837 29.796 23.223 1.00 16.86 C ATOM 1493 O THR E 100 19.143 28.756 23.811 1.00 17.00 O ATOM 1494 CB THR E 100 16.409 29.989 23.811 1.00 18.15 C ATOM 1495 OG1 THR E 100 15.087 30.199 23.275 1.00 20.98 O ATOM 1496 CG2 THR E 100 16.665 31.035 24.871 1.00 15.21 C ATOM 1497 HA THR E 100 17.370 31.061 22.228 1.00 0.00 H ATOM 1498 HB THR E 100 16.497 29.004 24.270 1.00 0.00 H ATOM 1499 HG1 THR E 100 14.889 29.498 22.604 1.00 0.00 H ATOM 1500 HG23 THR E 100 17.662 30.891 25.288 1.00 0.00 H ATOM 1501 HG21 THR E 100 16.596 32.027 24.425 1.00 0.00 H ATOM 1502 HG22 THR E 100 15.921 30.938 25.662 1.00 0.00 H ATOM 1503 H THR E 100 17.371 28.091 21.782 1.00 0.00 H ATOM 1504 N GLN E 101 19.733 30.756 23.027 1.00 17.08 N ATOM 1505 CA GLN E 101 21.102 30.637 23.511 1.00 17.03 C ATOM 1506 C GLN E 101 21.171 31.291 24.884 1.00 17.44 C ATOM 1507 O GLN E 101 20.590 32.388 24.956 1.00 19.59 O ATOM 1508 CB GLN E 101 22.067 31.376 22.582 1.00 16.80 C ATOM 1509 CG GLN E 101 23.471 31.524 23.145 1.00 17.85 C ATOM 1510 CD GLN E 101 24.199 30.228 23.426 1.00 19.88 C ATOM 1511 OE1 GLN E 101 24.065 29.267 22.648 1.00 22.24 O ATOM 1512 NE2 GLN E 101 24.974 30.182 24.511 1.00 19.21 N ATOM 1513 HA GLN E 101 21.381 29.584 23.551 1.00 0.00 H ATOM 1514 HB2 GLN E 101 22.129 30.826 21.643 1.00 0.00 H ATOM 1515 HB3 GLN E 101 21.666 32.372 22.392 1.00 0.00 H ATOM 1516 HG2 GLN E 101 24.063 32.093 22.428 1.00 0.00 H ATOM 1517 HG3 GLN E 101 23.402 32.080 24.080 1.00 0.00 H ATOM 1518 HE22 GLN E 101 25.052 31.014 25.130 1.00 0.00 H ATOM 1519 HE21 GLN E 101 25.500 29.314 24.738 1.00 0.00 H ATOM 1520 H GLN E 101 19.450 31.616 22.514 1.00 0.00 H ATOM 1521 N ALA E 102 21.814 30.700 25.871 1.00 16.49 N ATOM 1522 CA ALA E 102 21.857 31.365 27.192 1.00 16.13 C ATOM 1523 C ALA E 102 22.979 30.796 28.035 1.00 15.66 C ATOM 1524 O ALA E 102 23.586 29.802 27.630 1.00 16.06 O ATOM 1525 CB ALA E 102 20.537 31.081 27.904 1.00 15.48 C ATOM 1526 HA ALA E 102 22.019 32.434 27.054 1.00 0.00 H ATOM 1527 HB1 ALA E 102 19.713 31.475 27.309 1.00 0.00 H ATOM 1528 HB2 ALA E 102 20.416 30.005 28.027 1.00 0.00 H ATOM 1529 HB3 ALA E 102 20.543 31.561 28.883 1.00 0.00 H ATOM 1530 H ALA E 102 22.282 29.783 25.724 1.00 0.00 H ATOM 1531 N ASN E 103 23.330 31.439 29.127 1.00 15.83 N ATOM 1532 CA ASN E 103 24.351 30.933 30.055 1.00 15.40 C ATOM 1533 C ASN E 103 23.583 30.501 31.304 1.00 17.05 C ATOM 1534 O ASN E 103 23.058 31.365 32.017 1.00 18.74 O ATOM 1535 CB ASN E 103 25.378 31.973 30.467 1.00 17.67 C ATOM 1536 CG ASN E 103 26.205 32.359 29.258 1.00 23.42 C ATOM 1537 OD1 ASN E 103 26.904 31.569 28.636 1.00 24.63 O ATOM 1538 ND2 ASN E 103 26.100 33.621 28.846 1.00 29.27 N ATOM 1539 HA ASN E 103 24.908 30.134 29.566 1.00 0.00 H ATOM 1540 HB2 ASN E 103 24.869 32.854 30.858 1.00 0.00 H ATOM 1541 HB3 ASN E 103 26.028 31.559 31.237 1.00 0.00 H ATOM 1542 HD22 ASN E 103 25.507 34.293 29.374 1.00 0.00 H ATOM 1543 HD21 ASN E 103 26.611 33.935 27.997 1.00 0.00 H ATOM 1544 H ASN E 103 22.865 32.344 29.343 1.00 0.00 H ATOM 1545 N LYS E 104 23.481 29.222 31.618 1.00 16.46 N ATOM 1546 CA LYS E 104 22.703 28.796 32.782 1.00 15.45 C ATOM 1547 C LYS E 104 23.369 27.653 33.501 1.00 14.62 C ATOM 1548 O LYS E 104 24.334 27.119 32.952 1.00 15.33 O ATOM 1549 CB LYS E 104 21.374 28.199 32.200 1.00 17.99 C ATOM 1550 CG LYS E 104 20.469 29.245 31.572 1.00 22.98 C ATOM 1551 CD LYS E 104 19.235 28.688 30.879 1.00 24.21 C ATOM 1552 CE LYS E 104 18.254 28.102 31.866 1.00 28.21 C ATOM 1553 NZ LYS E 104 16.892 27.801 31.356 1.00 24.30 N ATOM 1554 HA LYS E 104 22.577 29.637 33.464 1.00 0.00 H ATOM 1555 HB2 LYS E 104 21.630 27.461 31.440 1.00 0.00 H ATOM 1556 HB3 LYS E 104 20.830 27.711 33.009 1.00 0.00 H ATOM 1557 HG2 LYS E 104 20.139 29.924 32.358 1.00 0.00 H ATOM 1558 HG3 LYS E 104 21.051 29.799 30.835 1.00 0.00 H ATOM 1559 HD2 LYS E 104 18.745 29.492 30.330 1.00 0.00 H ATOM 1560 HD3 LYS E 104 19.543 27.909 30.182 1.00 0.00 H ATOM 1561 HE2 LYS E 104 18.150 28.810 32.688 1.00 0.00 H ATOM 1562 HE3 LYS E 104 18.679 27.171 32.241 1.00 0.00 H ATOM 1563 HZ1 LYS E 104 16.453 28.677 31.007 1.00 0.00 H ATOM 1564 HZ2 LYS E 104 16.958 27.112 30.580 1.00 0.00 H ATOM 1565 HZ3 LYS E 104 16.315 27.405 32.125 1.00 0.00 H ATOM 1566 H LYS E 104 23.959 28.509 31.031 1.00 0.00 H ATOM 1567 N HIS E 105 22.917 27.290 34.684 1.00 12.81 N ATOM 1568 CA HIS E 105 23.511 26.147 35.371 1.00 13.79 C ATOM 1569 C HIS E 105 22.864 24.891 34.769 1.00 14.07 C ATOM 1570 O HIS E 105 21.696 24.971 34.331 1.00 14.73 O ATOM 1571 CB HIS E 105 23.084 26.102 36.835 1.00 14.67 C ATOM 1572 CG HIS E 105 23.685 27.210 37.633 1.00 18.62 C ATOM 1573 ND1 HIS E 105 23.078 28.432 37.757 1.00 20.59 N ATOM 1574 CD2 HIS E 105 24.843 27.273 38.332 1.00 19.44 C ATOM 1575 CE1 HIS E 105 23.836 29.222 38.515 1.00 19.74 C ATOM 1576 NE2 HIS E 105 24.902 28.535 38.868 1.00 21.89 N ATOM 1577 HA HIS E 105 24.595 26.210 35.276 1.00 0.00 H ATOM 1578 HB2 HIS E 105 21.998 26.181 36.887 1.00 0.00 H ATOM 1579 HB3 HIS E 105 23.398 25.150 37.263 1.00 0.00 H ATOM 1580 HD2 HIS E 105 25.581 26.479 38.446 1.00 0.00 H ATOM 1581 HE1 HIS E 105 23.614 30.252 38.793 1.00 0.00 H ATOM 1582 H HIS E 105 22.138 27.817 35.128 1.00 0.00 H ATOM 1583 N ILE E 106 23.556 23.771 34.691 1.00 11.74 N ATOM 1584 CA ILE E 106 22.854 22.601 34.135 1.00 12.92 C ATOM 1585 C ILE E 106 22.651 21.589 35.253 1.00 13.00 C ATOM 1586 O ILE E 106 23.379 21.657 36.240 1.00 12.11 O ATOM 1587 CB ILE E 106 23.628 21.941 32.984 1.00 12.01 C ATOM 1588 CG1 ILE E 106 24.977 21.390 33.461 1.00 12.37 C ATOM 1589 CG2 ILE E 106 23.832 23.021 31.919 1.00 13.90 C ATOM 1590 CD1 ILE E 106 25.712 20.469 32.513 1.00 9.30 C ATOM 1591 HA ILE E 106 21.901 22.939 33.727 1.00 0.00 H ATOM 1592 HB ILE E 106 23.071 21.093 32.586 1.00 0.00 H ATOM 1593 HG12 ILE E 106 25.627 22.241 33.665 1.00 0.00 H ATOM 1594 HG13 ILE E 106 24.800 20.840 34.385 1.00 0.00 H ATOM 1595 HD11 ILE E 106 25.094 19.596 32.304 1.00 0.00 H ATOM 1596 HD12 ILE E 106 25.921 20.998 31.583 1.00 0.00 H ATOM 1597 HD13 ILE E 106 26.649 20.151 32.971 1.00 0.00 H ATOM 1598 HG21 ILE E 106 22.861 23.382 31.579 1.00 0.00 H ATOM 1599 HG22 ILE E 106 24.399 23.848 32.346 1.00 0.00 H ATOM 1600 HG23 ILE E 106 24.380 22.600 31.076 1.00 0.00 H ATOM 1601 H ILE E 106 24.546 23.716 35.006 1.00 0.00 H ATOM 1602 N ILE E 107 21.673 20.702 35.116 1.00 13.96 N ATOM 1603 CA ILE E 107 21.394 19.628 36.057 1.00 13.04 C ATOM 1604 C ILE E 107 21.351 18.326 35.259 1.00 13.26 C ATOM 1605 O ILE E 107 20.550 18.178 34.318 1.00 13.02 O ATOM 1606 CB ILE E 107 20.058 19.759 36.815 1.00 13.60 C ATOM 1607 CG1 ILE E 107 20.035 21.106 37.567 1.00 15.79 C ATOM 1608 CG2 ILE E 107 19.933 18.645 37.842 1.00 11.60 C ATOM 1609 CD1 ILE E 107 18.756 21.356 38.319 1.00 15.74 C ATOM 1610 HA ILE E 107 22.179 19.660 36.813 1.00 0.00 H ATOM 1611 HB ILE E 107 19.238 19.700 36.100 1.00 0.00 H ATOM 1612 HG12 ILE E 107 20.861 21.118 38.278 1.00 0.00 H ATOM 1613 HG13 ILE E 107 20.171 21.908 36.841 1.00 0.00 H ATOM 1614 HD11 ILE E 107 17.920 21.359 37.620 1.00 0.00 H ATOM 1615 HD12 ILE E 107 18.611 20.568 39.058 1.00 0.00 H ATOM 1616 HD13 ILE E 107 18.814 22.321 38.822 1.00 0.00 H ATOM 1617 HG21 ILE E 107 19.966 17.680 37.336 1.00 0.00 H ATOM 1618 HG22 ILE E 107 20.757 18.713 38.552 1.00 0.00 H ATOM 1619 HG23 ILE E 107 18.986 18.746 38.372 1.00 0.00 H ATOM 1620 H ILE E 107 21.063 20.780 34.277 1.00 0.00 H ATOM 1621 N VAL E 108 22.250 17.406 35.606 1.00 13.65 N ATOM 1622 CA VAL E 108 22.365 16.115 34.946 1.00 13.30 C ATOM 1623 C VAL E 108 22.316 14.973 35.966 1.00 14.09 C ATOM 1624 O VAL E 108 22.604 15.087 37.155 1.00 13.70 O ATOM 1625 CB VAL E 108 23.638 16.002 34.076 1.00 14.00 C ATOM 1626 CG1 VAL E 108 23.717 17.104 33.017 1.00 10.38 C ATOM 1627 CG2 VAL E 108 24.905 16.093 34.926 1.00 11.82 C ATOM 1628 HA VAL E 108 21.509 16.032 34.277 1.00 0.00 H ATOM 1629 HB VAL E 108 23.573 15.029 33.589 1.00 0.00 H ATOM 1630 HG11 VAL E 108 22.851 17.037 32.359 1.00 0.00 H ATOM 1631 HG12 VAL E 108 23.728 18.077 33.507 1.00 0.00 H ATOM 1632 HG13 VAL E 108 24.629 16.980 32.433 1.00 0.00 H ATOM 1633 HG21 VAL E 108 24.924 17.051 35.445 1.00 0.00 H ATOM 1634 HG22 VAL E 108 24.911 15.283 35.655 1.00 0.00 H ATOM 1635 HG23 VAL E 108 25.780 16.010 34.282 1.00 0.00 H ATOM 1636 H VAL E 108 22.902 17.622 36.387 1.00 0.00 H ATOM 1637 N ALA E 109 21.873 13.819 35.488 1.00 14.85 N ATOM 1638 CA ALA E 109 21.787 12.557 36.221 1.00 13.40 C ATOM 1639 C ALA E 109 23.041 11.761 35.828 1.00 14.04 C ATOM 1640 O ALA E 109 23.435 11.716 34.658 1.00 14.02 O ATOM 1641 CB ALA E 109 20.560 11.761 35.809 1.00 14.88 C ATOM 1642 HA ALA E 109 21.717 12.743 37.293 1.00 0.00 H ATOM 1643 HB1 ALA E 109 19.663 12.345 36.017 1.00 0.00 H ATOM 1644 HB2 ALA E 109 20.613 11.540 34.743 1.00 0.00 H ATOM 1645 HB3 ALA E 109 20.527 10.829 36.373 1.00 0.00 H ATOM 1646 H ALA E 109 21.556 13.810 34.497 1.00 0.00 H ATOM 1647 N CYS E 110 23.717 11.216 36.822 1.00 14.53 N ATOM 1648 CA CYS E 110 24.914 10.460 36.560 1.00 16.32 C ATOM 1649 C CYS E 110 24.790 9.039 37.116 1.00 18.17 C ATOM 1650 O CYS E 110 24.058 8.749 38.064 1.00 17.48 O ATOM 1651 CB CYS E 110 26.142 11.074 37.247 1.00 15.32 C ATOM 1652 SG CYS E 110 26.309 12.853 36.979 1.00 17.32 S ATOM 1653 HA CYS E 110 25.037 10.463 35.477 1.00 0.00 H ATOM 1654 HB2 CYS E 110 27.035 10.582 36.861 1.00 0.00 H ATOM 1655 HB3 CYS E 110 26.064 10.893 38.319 1.00 0.00 H ATOM 1656 HG CYS E 110 25.461 12.573 35.927 1.00 0.00 H ATOM 1657 H CYS E 110 23.383 11.333 37.800 1.00 0.00 H ATOM 1658 N GLU E 111 25.567 8.181 36.482 1.00 19.69 N ATOM 1659 CA GLU E 111 25.630 6.788 36.887 1.00 24.33 C ATOM 1660 C GLU E 111 26.831 6.083 36.279 1.00 23.20 C ATOM 1661 O GLU E 111 27.467 6.538 35.338 1.00 24.74 O ATOM 1662 CB GLU E 111 24.333 6.044 36.606 1.00 27.41 C ATOM 1663 CG GLU E 111 24.143 5.577 35.207 1.00 33.94 C ATOM 1664 CD GLU E 111 22.788 4.969 34.919 1.00 41.55 C ATOM 1665 OE1 GLU E 111 21.869 5.128 35.756 1.00 42.56 O ATOM 1666 OE2 GLU E 111 22.689 4.367 33.801 1.00 45.83 O ATOM 1667 HA GLU E 111 25.762 6.780 37.969 1.00 0.00 H ATOM 1668 HB2 GLU E 111 24.301 5.171 37.257 1.00 0.00 H ATOM 1669 HB3 GLU E 111 23.506 6.710 36.852 1.00 0.00 H ATOM 1670 HG2 GLU E 111 24.280 6.430 34.543 1.00 0.00 H ATOM 1671 HG3 GLU E 111 24.904 4.826 34.994 1.00 0.00 H ATOM 1672 H GLU E 111 26.143 8.508 35.680 1.00 0.00 H ATOM 1673 N GLY E 112 27.198 4.958 36.887 1.00 25.31 N ATOM 1674 CA GLY E 112 28.291 4.157 36.430 1.00 25.59 C ATOM 1675 C GLY E 112 29.646 4.390 37.025 1.00 26.62 C ATOM 1676 O GLY E 112 29.869 5.129 37.973 1.00 27.19 O ATOM 1677 HA3 GLY E 112 28.380 4.316 35.355 1.00 0.00 H ATOM 1678 HA2 GLY E 112 28.030 3.116 36.622 1.00 0.00 H ATOM 1679 H GLY E 112 26.669 4.649 37.728 1.00 0.00 H ATOM 1680 N ASN E 113 30.601 3.702 36.410 1.00 28.37 N ATOM 1681 CA ASN E 113 32.009 3.787 36.842 1.00 32.01 C ATOM 1682 C ASN E 113 32.813 3.690 35.547 1.00 31.17 C ATOM 1683 O ASN E 113 32.855 2.639 34.900 1.00 32.39 O ATOM 1684 CB ASN E 113 32.271 2.605 37.770 1.00 38.38 C ATOM 1685 CG ASN E 113 33.400 2.730 38.751 1.00 44.69 C ATOM 1686 OD1 ASN E 113 33.889 3.804 39.136 1.00 48.31 O ATOM 1687 ND2 ASN E 113 33.879 1.559 39.215 1.00 47.66 N ATOM 1688 HA ASN E 113 32.269 4.697 37.383 1.00 0.00 H ATOM 1689 HB2 ASN E 113 31.360 2.430 38.342 1.00 0.00 H ATOM 1690 HB3 ASN E 113 32.477 1.737 37.143 1.00 0.00 H ATOM 1691 HD22 ASN E 113 33.465 0.662 38.889 1.00 0.00 H ATOM 1692 HD21 ASN E 113 34.662 1.552 39.899 1.00 0.00 H ATOM 1693 H ASN E 113 30.351 3.090 35.607 1.00 0.00 H ATOM 1694 N PRO E 114 33.390 4.804 35.129 1.00 29.94 N ATOM 1695 CA PRO E 114 33.299 6.055 35.874 1.00 27.37 C ATOM 1696 C PRO E 114 31.881 6.589 35.952 1.00 25.34 C ATOM 1697 O PRO E 114 30.998 6.265 35.142 1.00 25.12 O ATOM 1698 CB PRO E 114 34.237 6.976 35.076 1.00 28.16 C ATOM 1699 CG PRO E 114 34.139 6.430 33.684 1.00 27.57 C ATOM 1700 CD PRO E 114 34.161 4.935 33.880 1.00 29.03 C ATOM 1701 HA PRO E 114 33.580 5.955 36.922 1.00 0.00 H ATOM 1702 HD3 PRO E 114 33.676 4.415 33.054 1.00 0.00 H ATOM 1703 HD2 PRO E 114 35.178 4.561 33.996 1.00 0.00 H ATOM 1704 HG3 PRO E 114 34.985 6.755 33.079 1.00 0.00 H ATOM 1705 HG2 PRO E 114 33.211 6.746 33.207 1.00 0.00 H ATOM 1706 HB2 PRO E 114 33.898 8.011 35.116 1.00 0.00 H ATOM 1707 HB3 PRO E 114 35.259 6.915 35.450 1.00 0.00 H ATOM 1708 N TYR E 115 31.622 7.402 36.953 1.00 23.43 N ATOM 1709 CA TYR E 115 30.309 8.039 37.201 1.00 22.07 C ATOM 1710 C TYR E 115 30.224 9.244 36.260 1.00 21.60 C ATOM 1711 O TYR E 115 30.884 10.250 36.534 1.00 21.48 O ATOM 1712 CB TYR E 115 30.395 8.607 38.600 1.00 19.16 C ATOM 1713 CG TYR E 115 29.105 8.965 39.274 1.00 18.72 C ATOM 1714 CD1 TYR E 115 28.117 7.982 39.365 1.00 17.54 C ATOM 1715 CD2 TYR E 115 28.921 10.193 39.895 1.00 14.41 C ATOM 1716 CE1 TYR E 115 26.923 8.243 40.026 1.00 17.19 C ATOM 1717 CE2 TYR E 115 27.730 10.449 40.568 1.00 15.28 C ATOM 1718 CZ TYR E 115 26.772 9.471 40.634 1.00 15.74 C ATOM 1719 OH TYR E 115 25.591 9.721 41.261 1.00 19.69 O ATOM 1720 HA TYR E 115 29.474 7.351 37.067 1.00 0.00 H ATOM 1721 HB3 TYR E 115 31.001 9.511 38.550 1.00 0.00 H ATOM 1722 HB2 TYR E 115 30.897 7.868 39.224 1.00 0.00 H ATOM 1723 HD2 TYR E 115 29.703 10.951 39.856 1.00 0.00 H ATOM 1724 HE2 TYR E 115 27.561 11.418 41.038 1.00 0.00 H ATOM 1725 HE1 TYR E 115 26.128 7.498 40.063 1.00 0.00 H ATOM 1726 HD1 TYR E 115 28.284 7.004 38.914 1.00 0.00 H ATOM 1727 HH TYR E 115 25.764 9.953 42.208 1.00 0.00 H ATOM 1728 H TYR E 115 32.394 7.612 37.617 1.00 0.00 H ATOM 1729 N VAL E 116 29.476 9.096 35.174 1.00 20.26 N ATOM 1730 CA VAL E 116 29.354 10.159 34.174 1.00 17.26 C ATOM 1731 C VAL E 116 27.897 10.511 33.913 1.00 16.66 C ATOM 1732 O VAL E 116 26.998 9.783 34.364 1.00 14.70 O ATOM 1733 CB VAL E 116 29.965 9.670 32.821 1.00 16.59 C ATOM 1734 CG1 VAL E 116 31.468 9.476 32.925 1.00 18.31 C ATOM 1735 CG2 VAL E 116 29.390 8.334 32.383 1.00 15.11 C ATOM 1736 HA VAL E 116 29.878 11.034 34.558 1.00 0.00 H ATOM 1737 HB VAL E 116 29.719 10.448 32.098 1.00 0.00 H ATOM 1738 HG11 VAL E 116 31.937 10.422 33.194 1.00 0.00 H ATOM 1739 HG12 VAL E 116 31.685 8.731 33.691 1.00 0.00 H ATOM 1740 HG13 VAL E 116 31.856 9.136 31.965 1.00 0.00 H ATOM 1741 HG21 VAL E 116 29.602 7.582 33.143 1.00 0.00 H ATOM 1742 HG22 VAL E 116 28.312 8.429 32.254 1.00 0.00 H ATOM 1743 HG23 VAL E 116 29.845 8.036 31.438 1.00 0.00 H ATOM 1744 H VAL E 116 28.964 8.203 35.029 1.00 0.00 H ATOM 1745 N PRO E 117 27.668 11.602 33.167 1.00 13.05 N ATOM 1746 CA PRO E 117 26.322 12.000 32.840 1.00 12.73 C ATOM 1747 C PRO E 117 25.649 11.028 31.866 1.00 15.06 C ATOM 1748 O PRO E 117 26.220 10.630 30.840 1.00 14.38 O ATOM 1749 CB PRO E 117 26.496 13.393 32.226 1.00 12.80 C ATOM 1750 CG PRO E 117 27.930 13.773 32.435 1.00 11.94 C ATOM 1751 CD PRO E 117 28.682 12.495 32.612 1.00 11.46 C ATOM 1752 HA PRO E 117 25.667 12.002 33.712 1.00 0.00 H ATOM 1753 HD3 PRO E 117 29.055 12.122 31.658 1.00 0.00 H ATOM 1754 HD2 PRO E 117 29.516 12.621 33.303 1.00 0.00 H ATOM 1755 HG3 PRO E 117 28.030 14.396 33.324 1.00 0.00 H ATOM 1756 HG2 PRO E 117 28.307 14.316 31.568 1.00 0.00 H ATOM 1757 HB2 PRO E 117 26.264 13.367 31.161 1.00 0.00 H ATOM 1758 HB3 PRO E 117 25.840 14.108 32.722 1.00 0.00 H ATOM 1759 N VAL E 118 24.422 10.630 32.213 1.00 13.39 N ATOM 1760 CA VAL E 118 23.635 9.744 31.382 1.00 12.45 C ATOM 1761 C VAL E 118 22.312 10.409 31.055 1.00 14.71 C ATOM 1762 O VAL E 118 21.613 9.959 30.147 1.00 18.03 O ATOM 1763 CB VAL E 118 23.392 8.357 31.984 1.00 12.79 C ATOM 1764 CG1 VAL E 118 24.704 7.595 32.147 1.00 10.01 C ATOM 1765 CG2 VAL E 118 22.726 8.453 33.357 1.00 13.20 C ATOM 1766 HA VAL E 118 24.220 9.570 30.479 1.00 0.00 H ATOM 1767 HB VAL E 118 22.735 7.828 31.294 1.00 0.00 H ATOM 1768 HG11 VAL E 118 25.177 7.476 31.172 1.00 0.00 H ATOM 1769 HG12 VAL E 118 25.367 8.153 32.808 1.00 0.00 H ATOM 1770 HG13 VAL E 118 24.502 6.614 32.576 1.00 0.00 H ATOM 1771 HG21 VAL E 118 23.370 9.016 34.033 1.00 0.00 H ATOM 1772 HG22 VAL E 118 21.767 8.961 33.259 1.00 0.00 H ATOM 1773 HG23 VAL E 118 22.569 7.450 33.754 1.00 0.00 H ATOM 1774 H VAL E 118 24.019 10.968 33.110 1.00 0.00 H ATOM 1775 N HIS E 119 21.889 11.494 31.696 1.00 16.99 N ATOM 1776 CA HIS E 119 20.586 12.091 31.330 1.00 15.65 C ATOM 1777 C HIS E 119 20.609 13.586 31.539 1.00 15.35 C ATOM 1778 O HIS E 119 21.275 14.035 32.487 1.00 15.42 O ATOM 1779 CB HIS E 119 19.487 11.415 32.160 1.00 20.47 C ATOM 1780 CG HIS E 119 18.286 12.233 32.481 1.00 28.77 C ATOM 1781 ND1 HIS E 119 17.196 12.415 31.624 1.00 30.92 N ATOM 1782 CD2 HIS E 119 17.977 12.961 33.599 1.00 29.08 C ATOM 1783 CE1 HIS E 119 16.294 13.228 32.187 1.00 27.46 C ATOM 1784 NE2 HIS E 119 16.763 13.563 33.390 1.00 31.09 N ATOM 1785 HA HIS E 119 20.381 11.924 30.273 1.00 0.00 H ATOM 1786 HB2 HIS E 119 19.150 10.537 31.608 1.00 0.00 H ATOM 1787 HB3 HIS E 119 19.933 11.100 33.103 1.00 0.00 H ATOM 1788 HD2 HIS E 119 18.589 13.047 34.497 1.00 0.00 H ATOM 1789 HE1 HIS E 119 15.353 13.555 31.745 1.00 0.00 H ATOM 1790 H HIS E 119 22.469 11.919 32.448 1.00 0.00 H ATOM 1791 N PHE E 120 19.986 14.382 30.689 1.00 11.83 N ATOM 1792 CA PHE E 120 19.966 15.837 30.892 1.00 13.70 C ATOM 1793 C PHE E 120 18.637 16.161 31.605 1.00 15.12 C ATOM 1794 O PHE E 120 17.580 15.945 31.016 1.00 15.76 O ATOM 1795 CB PHE E 120 20.041 16.638 29.611 1.00 9.22 C ATOM 1796 CG PHE E 120 20.301 18.099 29.853 1.00 11.53 C ATOM 1797 CD1 PHE E 120 19.244 18.974 30.121 1.00 10.71 C ATOM 1798 CD2 PHE E 120 21.587 18.599 29.833 1.00 12.40 C ATOM 1799 CE1 PHE E 120 19.490 20.321 30.323 1.00 9.04 C ATOM 1800 CE2 PHE E 120 21.840 19.946 30.042 1.00 10.20 C ATOM 1801 CZ PHE E 120 20.787 20.804 30.291 1.00 10.25 C ATOM 1802 HA PHE E 120 20.848 16.114 31.470 1.00 0.00 H ATOM 1803 HB2 PHE E 120 20.847 16.238 28.996 1.00 0.00 H ATOM 1804 HB3 PHE E 120 19.095 16.535 29.080 1.00 0.00 H ATOM 1805 HD2 PHE E 120 22.421 17.921 29.649 1.00 0.00 H ATOM 1806 HE2 PHE E 120 22.862 20.325 30.010 1.00 0.00 H ATOM 1807 HZ PHE E 120 20.977 21.863 30.463 1.00 0.00 H ATOM 1808 HE1 PHE E 120 18.660 21.003 30.508 1.00 0.00 H ATOM 1809 HD1 PHE E 120 18.223 18.594 30.171 1.00 0.00 H ATOM 1810 H PHE E 120 19.503 13.973 29.864 1.00 0.00 H ATOM 1811 N ASP E 121 18.690 16.627 32.840 1.00 14.44 N ATOM 1812 CA ASP E 121 17.459 16.894 33.573 1.00 16.34 C ATOM 1813 C ASP E 121 16.862 18.258 33.363 1.00 16.65 C ATOM 1814 O ASP E 121 15.654 18.417 33.122 1.00 17.70 O ATOM 1815 CB ASP E 121 17.712 16.627 35.070 1.00 16.63 C ATOM 1816 CG ASP E 121 16.435 16.417 35.854 1.00 19.51 C ATOM 1817 OD1 ASP E 121 15.766 15.382 35.658 1.00 20.79 O ATOM 1818 OD2 ASP E 121 16.061 17.303 36.645 1.00 21.62 O ATOM 1819 HA ASP E 121 16.707 16.217 33.169 1.00 0.00 H ATOM 1820 HB2 ASP E 121 18.330 15.734 35.165 1.00 0.00 H ATOM 1821 HB3 ASP E 121 18.243 17.481 35.491 1.00 0.00 H ATOM 1822 H ASP E 121 19.611 16.803 33.290 1.00 0.00 H ATOM 1823 N ALA E 122 17.649 19.338 33.435 1.00 17.75 N ATOM 1824 CA ALA E 122 17.134 20.685 33.291 1.00 15.35 C ATOM 1825 C ALA E 122 18.243 21.719 33.278 1.00 16.27 C ATOM 1826 O ALA E 122 19.402 21.430 33.540 1.00 17.02 O ATOM 1827 CB ALA E 122 16.350 21.043 34.579 1.00 16.00 C ATOM 1828 HA ALA E 122 16.553 20.702 32.369 1.00 0.00 H ATOM 1829 HB1 ALA E 122 15.528 20.339 34.710 1.00 0.00 H ATOM 1830 HB2 ALA E 122 17.019 20.987 35.438 1.00 0.00 H ATOM 1831 HB3 ALA E 122 15.953 22.054 34.492 1.00 0.00 H ATOM 1832 H ALA E 122 18.667 19.206 33.600 1.00 0.00 H ATOM 1833 N SER E 123 17.850 22.936 32.952 1.00 17.02 N ATOM 1834 CA SER E 123 18.775 24.061 32.958 1.00 16.96 C ATOM 1835 C SER E 123 18.119 25.062 33.939 1.00 19.29 C ATOM 1836 O SER E 123 16.898 25.221 33.932 1.00 16.82 O ATOM 1837 CB SER E 123 19.064 24.641 31.611 1.00 16.02 C ATOM 1838 OG SER E 123 17.932 25.249 31.016 1.00 19.33 O ATOM 1839 HA SER E 123 19.774 23.758 33.271 1.00 0.00 H ATOM 1840 HB2 SER E 123 19.414 23.843 30.957 1.00 0.00 H ATOM 1841 HB3 SER E 123 19.847 25.392 31.717 1.00 0.00 H ATOM 1842 HG SER E 123 17.216 24.574 30.906 1.00 0.00 H ATOM 1843 H SER E 123 16.858 23.095 32.685 1.00 0.00 H ATOM 1844 N VAL E 124 18.907 25.641 34.828 1.00 18.23 N ATOM 1845 CA VAL E 124 18.375 26.585 35.796 1.00 22.08 C ATOM 1846 C VAL E 124 19.051 27.938 35.665 1.00 23.44 C ATOM 1847 O VAL E 124 18.313 28.955 35.573 1.00 25.75 O ATOM 1848 CB VAL E 124 18.526 26.017 37.221 1.00 22.54 C ATOM 1849 CG1 VAL E 124 17.942 27.006 38.215 1.00 25.37 C ATOM 1850 CG2 VAL E 124 17.663 24.772 37.293 1.00 25.33 C ATOM 1851 HA VAL E 124 17.314 26.733 35.595 1.00 0.00 H ATOM 1852 OXT VAL E 124 20.305 28.029 35.599 1.00 22.11 O ATOM 1853 HB VAL E 124 19.575 25.819 37.443 1.00 0.00 H ATOM 1854 HG11 VAL E 124 18.475 27.954 38.139 1.00 0.00 H ATOM 1855 HG12 VAL E 124 16.887 27.163 37.992 1.00 0.00 H ATOM 1856 HG13 VAL E 124 18.046 26.609 39.225 1.00 0.00 H ATOM 1857 HG21 VAL E 124 16.626 25.038 37.091 1.00 0.00 H ATOM 1858 HG22 VAL E 124 18.005 24.051 36.551 1.00 0.00 H ATOM 1859 HG23 VAL E 124 17.740 24.335 38.289 1.00 0.00 H ATOM 1860 H VAL E 124 19.923 25.418 34.835 1.00 0.00 H TER 1861 VAL E 124 HETATM 1862 O HOH 1 14.096 27.471 22.870 1.00 13.54 O HETATM 1863 O HOH 2 28.143 11.051 29.074 1.00 16.57 O HETATM 1864 O HOH 3 16.176 26.391 14.822 1.00 18.75 O HETATM 1865 O HOH 4 14.886 29.932 16.208 1.00 19.38 O HETATM 1866 O HOH 5 28.117 3.275 22.399 1.00 19.95 O HETATM 1867 O HOH 6 34.297 24.072 28.721 1.00 20.77 O HETATM 1868 O HOH 7 17.423 24.072 28.650 1.00 21.02 O HETATM 1869 O HOH 8 32.534 21.816 35.495 1.00 21.41 O HETATM 1870 O HOH 9 21.593 8.197 27.983 1.00 22.23 O HETATM 1871 O HOH 10 35.517 18.366 24.439 1.00 23.00 O HETATM 1872 O HOH 11 28.140 9.124 20.967 1.00 23.21 O HETATM 1873 O HOH 12 27.493 5.310 32.703 1.00 23.70 O HETATM 1874 O HOH 13 11.756 16.223 24.864 1.00 24.33 O HETATM 1875 O HOH 14 37.171 17.229 27.048 1.00 24.67 O HETATM 1876 O HOH 15 30.389 24.022 37.417 1.00 24.68 O HETATM 1877 O HOH 16 30.719 10.840 29.029 1.00 24.96 O HETATM 1878 O HOH 17 27.149 4.600 29.768 1.00 25.78 O HETATM 1879 O HOH 18 10.975 33.524 18.555 1.00 25.94 O HETATM 1880 O HOH 19 20.947 11.295 26.773 1.00 26.71 O HETATM 1881 O HOH 20 14.486 32.308 19.830 1.00 26.78 O HETATM 1882 O HOH 21 26.624 17.308 14.475 1.00 27.28 O HETATM 1883 O HOH 22 27.903 15.512 13.403 1.00 27.94 O HETATM 1884 O HOH 23 18.588 33.195 21.765 1.00 29.15 O HETATM 1885 O HOH 24 12.721 24.226 28.087 1.00 29.59 O HETATM 1886 O HOH 25 29.814 12.523 43.151 1.00 29.85 O HETATM 1887 O HOH 26 27.943 4.554 20.059 1.00 30.28 O HETATM 1888 O HOH 27 30.906 5.048 26.819 1.00 30.40 O HETATM 1889 O HOH 28 26.857 7.356 19.725 1.00 30.85 O HETATM 1890 O HOH 29 16.717 10.801 35.841 1.00 31.27 O HETATM 1891 O HOH 30 36.269 15.746 34.396 1.00 31.55 O HETATM 1892 O HOH 31 30.585 19.008 19.104 1.00 32.75 O HETATM 1893 O HOH 32 6.564 16.279 19.261 1.00 34.89 O HETATM 1894 O HOH 33 9.423 17.082 38.607 1.00 35.95 O HETATM 1895 O HOH 34 23.281 21.078 50.441 1.00 36.35 O HETATM 1896 O HOH 35 15.158 19.547 12.376 1.00 37.29 O HETATM 1897 O HOH 36 23.620 8.650 15.410 1.00 37.33 O HETATM 1898 O HOH 37 30.253 4.895 32.867 1.00 37.74 O HETATM 1899 O HOH 38 27.625 23.032 16.097 1.00 38.41 O HETATM 1900 O HOH 39 32.685 25.170 32.487 1.00 38.53 O HETATM 1901 O HOH 40 30.302 8.981 22.210 1.00 39.01 O HETATM 1902 O HOH 41 13.571 32.393 24.243 1.00 39.21 O HETATM 1903 O HOH 42 24.502 18.929 48.113 1.00 39.41 O HETATM 1904 O HOH 43 33.148 25.232 23.720 1.00 39.42 O HETATM 1905 O HOH 44 19.392 7.987 36.338 1.00 41.30 O HETATM 1906 O HOH 45 23.352 6.118 39.914 1.00 41.49 O HETATM 1907 O HOH 46 25.196 3.310 33.082 1.00 41.90 O HETATM 1908 O HOH 47 13.945 15.717 32.612 1.00 42.19 O HETATM 1909 O HOH 48 12.238 25.607 25.720 1.00 43.23 O HETATM 1910 O HOH 49 38.280 21.708 30.101 1.00 43.75 O HETATM 1911 O HOH 50 21.959 34.451 29.480 1.00 44.10 O HETATM 1912 O HOH 51 33.952 7.652 38.476 1.00 44.31 O HETATM 1913 O HOH 52 27.153 27.727 16.070 1.00 44.33 O HETATM 1914 O HOH 53 15.021 25.084 30.480 1.00 44.39 O HETATM 1915 O HOH 54 25.145 32.672 25.433 1.00 44.86 O HETATM 1916 O HOH 55 26.133 31.325 39.143 1.00 45.37 O HETATM 1917 O HOH 56 26.694 17.883 46.884 1.00 45.38 O HETATM 1918 O HOH 57 31.766 8.379 29.094 1.00 45.62 O HETATM 1919 O HOH 58 28.127 13.558 45.792 1.00 45.83 O HETATM 1920 O HOH 59 36.710 20.590 23.650 1.00 46.71 O HETATM 1921 O HOH 60 21.120 34.240 17.150 1.00 47.39 O HETATM 1922 O HOH 61 12.340 27.431 12.468 1.00 48.43 O HETATM 1923 O HOH 62 15.011 12.858 36.214 1.00 48.68 O HETATM 1924 O HOH 63 17.672 9.942 20.019 1.00 50.70 O HETATM 1925 O HOH 64 36.639 13.375 29.846 1.00 50.74 O HETATM 1926 O HOH 65 20.347 5.197 38.731 1.00 50.95 O HETATM 1927 O HOH 66 28.708 16.269 45.413 1.00 51.87 O HETATM 1928 O HOH 67 7.509 27.090 12.697 1.00 52.29 O HETATM 1929 O HOH 68 26.833 3.064 18.130 1.00 53.56 O HETATM 1930 O HOH 69 28.819 19.098 16.267 1.00 54.15 O HETATM 1931 O HOH 70 32.597 29.506 18.189 1.00 54.43 O HETATM 1932 O HOH 71 36.951 23.896 34.717 1.00 55.14 O HETATM 1933 O HOH 72 16.743 9.539 29.277 1.00 55.74 O HETATM 1934 O HOH 73 12.547 34.201 22.916 1.00 56.09 O HETATM 1935 O HOH 74 18.428 23.709 41.726 1.00 57.05 O HETATM 1936 O HOH 75 33.017 13.183 38.149 1.00 58.27 O HETATM 1937 O HOH 76 5.314 28.607 14.390 1.00 59.74 O HETATM 1938 O HOH 77 35.441 1.343 34.599 1.00 60.26 O HETATM 1939 O HOH 78 17.436 32.756 9.539 1.00 60.53 O HETATM 1940 O HOH 79 6.154 14.489 16.005 1.00 63.79 O HETATM 1941 O HOH 80 30.611 4.833 30.081 1.00 67.01 O HETATM 1942 O3P C A 5 10.240 15.677 29.964 1.00 -0.55 O HETATM 1943 P C A 5 11.552 15.564 30.696 1.00 0.20 P HETATM 1944 O1P C A 5 11.907 16.712 31.624 1.00 -0.55 O HETATM 1945 O2P C A 5 11.962 14.183 31.167 1.00 -0.55 O HETATM 1946 O5' C A 5 12.592 15.706 29.441 1.00 -0.27 O HETATM 1947 C5' C A 5 12.645 14.728 28.395 1.00 0.11 C HETATM 1948 C4' C A 5 13.862 14.961 27.623 1.00 0.12 C HETATM 1949 O4' C A 5 14.013 16.314 27.407 1.00 -0.34 O HETATM 1950 C1' C A 5 15.365 16.621 27.473 1.00 0.21 C HETATM 1951 C2' C A 5 16.113 15.518 28.087 1.00 0.14 C HETATM 1952 C3' C A 5 15.004 14.575 28.414 1.00 0.12 C HETATM 1953 O3' C A 5 15.158 13.250 27.937 1.00 -0.39 O HETATM 1954 H5 C A 5 15.314 13.268 27.000 1.00 0.21 H HETATM 1955 H4 C A 5 14.808 14.592 29.496 1.00 0.06 H HETATM 1956 O2' C A 5 16.888 15.052 27.015 1.00 -0.38 O HETATM 1957 H7 C A 5 17.266 14.210 27.241 1.00 0.21 H HETATM 1958 H6 C A 5 16.718 15.794 28.963 1.00 0.07 H HETATM 1959 N1 C A 5 15.464 17.894 28.153 1.00 -0.15 N HETATM 1960 C2 C A 5 16.465 18.718 27.708 1.00 0.35 C HETATM 1961 N3 C A 5 16.494 19.940 28.244 1.00 -0.19 N HETATM 1962 C4 C A 5 15.602 20.361 29.186 1.00 0.09 C HETATM 1963 C5 C A 5 14.578 19.508 29.663 1.00 0.00 C HETATM 1964 C6 C A 5 14.548 18.286 29.114 1.00 0.07 C HETATM 1965 H11 C A 5 13.781 17.581 29.433 1.00 0.13 H HETATM 1966 H10 C A 5 13.864 19.823 30.423 1.00 0.03 H HETATM 1967 N4 C A 5 15.710 21.583 29.696 1.00 -0.43 N HETATM 1968 H12 C A 5 15.053 21.898 30.392 1.00 0.03 H HETATM 1969 H9 C A 5 17.203 20.577 27.941 1.00 0.24 H HETATM 1970 O2 C A 5 17.341 18.360 26.917 1.00 -0.38 O HETATM 1971 H8 C A 5 15.754 16.750 26.452 1.00 0.10 H HETATM 1972 H3 C A 5 13.828 14.407 26.674 1.00 0.07 H HETATM 1973 H1 C A 5 11.764 14.829 27.744 1.00 0.06 H HETATM 1974 H2 C A 5 12.666 13.717 28.829 1.00 0.06 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 371 1253 CONECT 605 604 609 1417 CONECT 874 873 878 1652 CONECT 975 974 979 1074 CONECT 1074 975 1073 1078 CONECT 1253 367 1252 1257 CONECT 1417 605 1416 1421 CONECT 1652 874 1651 1656 CONECT 1942 1943 CONECT 1943 1942 1944 1945 1946 CONECT 1944 1943 CONECT 1945 1943 CONECT 1946 1943 1947 CONECT 1947 1946 1948 1973 1974 CONECT 1948 1947 1949 1952 1972 CONECT 1949 1948 1950 CONECT 1950 1949 1951 1959 1971 CONECT 1951 1950 1952 1956 1958 CONECT 1952 1948 1951 1953 1955 CONECT 1953 1952 1954 CONECT 1954 1953 CONECT 1955 1952 CONECT 1956 1951 1957 CONECT 1957 1956 CONECT 1958 1951 CONECT 1959 1950 1960 1964 CONECT 1960 1959 1961 1970 CONECT 1961 1960 1962 1969 CONECT 1962 1961 1963 1967 CONECT 1963 1962 1964 1966 CONECT 1964 1959 1963 1965 CONECT 1965 1964 CONECT 1966 1963 CONECT 1967 1962 1968 CONECT 1968 1967 CONECT 1969 1961 CONECT 1970 1960 CONECT 1971 1950 CONECT 1972 1948 CONECT 1973 1947 CONECT 1974 1947 MASTER 0 0 0 0 0 0 0 0 1973 1 45 10 END
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
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1qhc
RCSB PDB
PDBbind
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1rpf
RCSB PDB
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1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
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RCSB PDB
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1w4p
RCSB PDB
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1w4q
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PDBbind
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RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
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2w5i
RCSB PDB
PDBbind
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2xoi
RCSB PDB
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3d6o
RCSB PDB
PDBbind
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3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
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124aa, >3D7B_1|Chains... at 99%
3d8y
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3d8z
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3dxg
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124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
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124aa, >3LXO_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
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4peq
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124aa, >4RSK_1|Chain... at 96%
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RCSB PDB
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125aa, >4WYZ_1|Chains... at 100%
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124aa, >6RSA_1|Chain... at 99%
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RCSB PDB
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124aa, >6PVX_1|Chains... at 99%
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RCSB PDB
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124aa, >6PVW_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3djx
RCSB PDB
PDBbind
C5P
4g0q
RCSB PDB
PDBbind
C5P
5dv2
RCSB PDB
PDBbind
C5P
5km2
RCSB PDB
PDBbind
C5P
6oh2
RCSB PDB
PDBbind
C5P
6i1r
RCSB PDB
PDBbind
C5P
Entry Information
PDB ID
1rnm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bos taurus ribonuclease A
Ligand Name
C5P
EC.Number
E.C.3.1.27.5
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=844.2uM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Eur. J. Med. Chem., Vol.44, pp.4496-4508
Ligand Properties
Formula
C
9
H
1
5
N
3
O
8
P
Molecular Weight
324.204
Exact Mass
324.060
No. of atoms
36
No. of bonds
37
Polar Surface Area
194.84
LOGP Value
-4.02 (
Computed with XLOGP3
)
-2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=N)[nH]c1=O)COP(O)(O)O
InChI String
InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14,16-18,21H,3H2,(H2,10,11,15)/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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