Browse entries in the PDBbind-CN Database
HEADER 1FWV_COMPLEX COMPND 1FWV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 ASP ALA ARG GLN PHE LEU ILE TYR ASN GLU ASP HIS LYS SEQRES 2 A 134 ARG CYS VAL ASP ALA LEU SER ALA ILE SER VAL GLN THR SEQRES 3 A 134 ALA THR CYS ASN PRO GLU ALA GLU SER GLN LYS PHE ARG SEQRES 4 A 134 TRP VAL SER ASP SER GLN ILE MET SER VAL ALA PHE LYS SEQRES 5 A 134 LEU CYS LEU GLY VAL PRO SER LYS THR ASP TRP ALA SER SEQRES 6 A 134 VAL THR LEU TYR ALA CYS ASP SER LYS SER GLU TYR GLN SEQRES 7 A 134 LYS TRP GLU CYS LYS ASN ASP THR LEU PHE GLY ILE LYS SEQRES 8 A 134 GLY THR GLU LEU TYR PHE ASN TYR GLY ASN ARG GLN GLU SEQRES 9 A 134 LYS ASN ILE LYS LEU TYR LYS GLY SER GLY LEU TRP SER SEQRES 10 A 134 ARG TRP LYS VAL TYR GLY THR THR ASP ASP LEU CYS SER SEQRES 11 A 134 ARG GLY TYR GLU HET SGA A 262 74 SSBOND 1 CYS A 16 CYS A 30 SSBOND 2 CYS A 55 CYS A 72 SSBOND 3 CYS A 83 CYS A 130 ATOM 1 N ASP A 2 29.296 17.302 24.877 1.00 70.34 N ATOM 2 CA ASP A 2 28.903 18.732 25.020 1.00 69.59 C ATOM 3 C ASP A 2 27.411 18.823 25.323 1.00 68.06 C ATOM 4 O ASP A 2 26.599 18.187 24.650 1.00 68.47 O ATOM 5 CB ASP A 2 29.215 19.496 23.728 1.00 71.13 C ATOM 6 CG ASP A 2 29.199 21.006 23.920 1.00 74.03 C ATOM 7 OD1 ASP A 2 28.170 21.548 24.378 1.00 73.67 O ATOM 8 OD2 ASP A 2 30.221 21.656 23.610 1.00 75.75 O ATOM 9 HA ASP A 2 29.468 19.177 25.839 1.00 0.00 H ATOM 10 HB2 ASP A 2 30.203 19.199 23.377 1.00 0.00 H ATOM 11 HB3 ASP A 2 28.470 19.232 22.978 1.00 0.00 H ATOM 12 HN3 ASP A 2 28.757 16.872 24.098 1.00 0.00 H ATOM 13 HN2 ASP A 2 29.091 16.797 25.763 1.00 0.00 H ATOM 14 HN1 ASP A 2 30.314 17.242 24.670 1.00 0.00 H ATOM 15 N ALA A 3 27.060 19.615 26.335 1.00 64.97 N ATOM 16 CA ALA A 3 25.665 19.799 26.743 1.00 61.17 C ATOM 17 C ALA A 3 24.751 20.133 25.565 1.00 58.05 C ATOM 18 O ALA A 3 23.562 19.815 25.583 1.00 59.30 O ATOM 19 CB ALA A 3 25.573 20.899 27.794 1.00 61.59 C ATOM 20 HA ALA A 3 25.324 18.852 27.161 1.00 0.00 H ATOM 21 HB1 ALA A 3 26.169 20.620 28.663 1.00 0.00 H ATOM 22 HB2 ALA A 3 25.952 21.832 27.376 1.00 0.00 H ATOM 23 HB3 ALA A 3 24.533 21.029 28.092 1.00 0.00 H ATOM 24 H ALA A 3 27.804 20.122 26.855 1.00 0.00 H ATOM 25 N ARG A 4 25.311 20.774 24.546 1.00 54.05 N ATOM 26 CA ARG A 4 24.541 21.146 23.370 1.00 48.68 C ATOM 27 C ARG A 4 24.136 19.936 22.541 1.00 43.04 C ATOM 28 O ARG A 4 23.066 19.924 21.951 1.00 40.61 O ATOM 29 CB ARG A 4 25.339 22.120 22.498 1.00 50.70 C ATOM 30 CG ARG A 4 25.471 23.496 23.094 1.00 54.49 C ATOM 31 CD ARG A 4 26.202 24.454 22.156 1.00 58.46 C ATOM 32 NE ARG A 4 27.648 24.432 22.353 1.00 61.04 N ATOM 33 CZ ARG A 4 28.504 25.231 21.722 1.00 61.96 C ATOM 34 NH1 ARG A 4 28.067 26.123 20.843 1.00 61.80 N ATOM 35 NH2 ARG A 4 29.800 25.148 21.984 1.00 64.79 N ATOM 36 HA ARG A 4 23.630 21.628 23.725 1.00 0.00 H ATOM 37 HB2 ARG A 4 26.339 21.711 22.351 1.00 0.00 H ATOM 38 HB3 ARG A 4 24.838 22.209 21.534 1.00 0.00 H ATOM 39 HG2 ARG A 4 24.475 23.890 23.295 1.00 0.00 H ATOM 40 HG3 ARG A 4 26.027 23.424 24.029 1.00 0.00 H ATOM 41 HD2 ARG A 4 25.839 25.466 22.337 1.00 0.00 H ATOM 42 HD3 ARG A 4 25.985 24.170 21.126 1.00 0.00 H ATOM 43 HE ARG A 4 28.035 23.746 23.032 1.00 0.00 H ATOM 44 HH12 ARG A 4 28.742 26.744 20.353 1.00 0.00 H ATOM 45 HH11 ARG A 4 27.049 26.201 20.643 1.00 0.00 H ATOM 46 HH22 ARG A 4 30.471 25.772 21.492 1.00 0.00 H ATOM 47 HH21 ARG A 4 30.146 24.459 22.682 1.00 0.00 H ATOM 48 H ARG A 4 26.322 21.015 24.590 1.00 0.00 H ATOM 49 N GLN A 5 24.992 18.924 22.497 1.00 37.34 N ATOM 50 CA GLN A 5 24.706 17.721 21.722 1.00 34.31 C ATOM 51 C GLN A 5 23.551 16.926 22.310 1.00 33.08 C ATOM 52 O GLN A 5 23.411 16.830 23.529 1.00 30.40 O ATOM 53 CB GLN A 5 25.956 16.851 21.643 1.00 34.61 C ATOM 54 CG GLN A 5 27.094 17.532 20.910 1.00 41.75 C ATOM 55 CD GLN A 5 28.376 16.734 20.945 1.00 41.21 C ATOM 56 OE1 GLN A 5 28.405 15.561 20.568 1.00 43.61 O ATOM 57 NE2 GLN A 5 29.451 17.370 21.398 1.00 46.95 N ATOM 58 HA GLN A 5 24.410 18.032 20.720 1.00 0.00 H ATOM 59 HB2 GLN A 5 26.283 16.617 22.656 1.00 0.00 H ATOM 60 HB3 GLN A 5 25.707 15.928 21.120 1.00 0.00 H ATOM 61 HG2 GLN A 5 26.802 17.676 19.870 1.00 0.00 H ATOM 62 HG3 GLN A 5 27.275 18.502 21.373 1.00 0.00 H ATOM 63 HE22 GLN A 5 29.378 18.361 21.705 1.00 0.00 H ATOM 64 HE21 GLN A 5 30.365 16.877 21.445 1.00 0.00 H ATOM 65 H GLN A 5 25.885 18.989 23.026 1.00 0.00 H ATOM 66 N PHE A 6 22.718 16.359 21.442 1.00 27.11 N ATOM 67 CA PHE A 6 21.574 15.579 21.900 1.00 25.53 C ATOM 68 C PHE A 6 21.119 14.563 20.863 1.00 22.90 C ATOM 69 O PHE A 6 21.623 14.528 19.739 1.00 19.12 O ATOM 70 CB PHE A 6 20.412 16.519 22.248 1.00 25.88 C ATOM 71 CG PHE A 6 19.869 17.298 21.065 1.00 25.17 C ATOM 72 CD1 PHE A 6 18.812 16.802 20.313 1.00 22.96 C ATOM 73 CD2 PHE A 6 20.423 18.529 20.710 1.00 23.90 C ATOM 74 CE1 PHE A 6 18.303 17.516 19.223 1.00 24.44 C ATOM 75 CE2 PHE A 6 19.925 19.255 19.618 1.00 25.75 C ATOM 76 CZ PHE A 6 18.860 18.747 18.872 1.00 24.30 C ATOM 77 HA PHE A 6 21.887 15.026 22.786 1.00 0.00 H ATOM 78 HB2 PHE A 6 19.602 15.922 22.666 1.00 0.00 H ATOM 79 HB3 PHE A 6 20.760 17.231 22.996 1.00 0.00 H ATOM 80 HD2 PHE A 6 21.254 18.932 21.289 1.00 0.00 H ATOM 81 HE2 PHE A 6 20.369 20.214 19.352 1.00 0.00 H ATOM 82 HZ PHE A 6 18.467 19.306 18.023 1.00 0.00 H ATOM 83 HE1 PHE A 6 17.471 17.111 18.647 1.00 0.00 H ATOM 84 HD1 PHE A 6 18.372 15.840 20.576 1.00 0.00 H ATOM 85 H PHE A 6 22.885 16.474 20.422 1.00 0.00 H ATOM 86 N LEU A 7 20.167 13.725 21.256 1.00 21.97 N ATOM 87 CA LEU A 7 19.620 12.720 20.365 1.00 21.04 C ATOM 88 C LEU A 7 18.163 13.062 20.096 1.00 20.99 C ATOM 89 O LEU A 7 17.442 13.486 21.004 1.00 21.32 O ATOM 90 CB LEU A 7 19.737 11.321 20.982 1.00 21.21 C ATOM 91 CG LEU A 7 20.991 10.512 20.632 1.00 22.97 C ATOM 92 CD1 LEU A 7 22.239 11.255 21.089 1.00 23.44 C ATOM 93 CD2 LEU A 7 20.914 9.135 21.288 1.00 18.40 C ATOM 94 HA LEU A 7 20.181 12.714 19.431 1.00 0.00 H ATOM 95 HB2 LEU A 7 19.710 11.435 22.066 1.00 0.00 H ATOM 96 HB3 LEU A 7 18.871 10.744 20.657 1.00 0.00 H ATOM 97 HG LEU A 7 21.046 10.383 19.551 1.00 0.00 H ATOM 98 HD21 LEU A 7 20.849 9.252 22.370 1.00 0.00 H ATOM 99 HD22 LEU A 7 20.031 8.610 20.924 1.00 0.00 H ATOM 100 HD23 LEU A 7 21.807 8.564 21.036 1.00 0.00 H ATOM 101 HD11 LEU A 7 22.287 12.223 20.590 1.00 0.00 H ATOM 102 HD12 LEU A 7 22.198 11.402 22.168 1.00 0.00 H ATOM 103 HD13 LEU A 7 23.122 10.670 20.834 1.00 0.00 H ATOM 104 H LEU A 7 19.804 13.791 22.228 1.00 0.00 H ATOM 105 N ILE A 8 17.746 12.900 18.843 1.00 19.37 N ATOM 106 CA ILE A 8 16.381 13.189 18.435 1.00 17.63 C ATOM 107 C ILE A 8 15.584 11.880 18.546 1.00 19.61 C ATOM 108 O ILE A 8 15.815 10.911 17.811 1.00 18.16 O ATOM 109 CB ILE A 8 16.371 13.747 17.007 1.00 17.20 C ATOM 110 CG1 ILE A 8 17.265 14.994 16.947 1.00 17.81 C ATOM 111 CG2 ILE A 8 14.950 14.080 16.592 1.00 12.46 C ATOM 112 CD1 ILE A 8 17.528 15.513 15.539 1.00 18.06 C ATOM 113 HA ILE A 8 15.925 13.946 19.073 1.00 0.00 H ATOM 114 HB ILE A 8 16.760 13.000 16.315 1.00 0.00 H ATOM 115 HG12 ILE A 8 16.783 15.787 17.518 1.00 0.00 H ATOM 116 HG13 ILE A 8 18.223 14.749 17.405 1.00 0.00 H ATOM 117 HD11 ILE A 8 18.023 14.738 14.954 1.00 0.00 H ATOM 118 HD12 ILE A 8 16.581 15.777 15.068 1.00 0.00 H ATOM 119 HD13 ILE A 8 18.167 16.394 15.592 1.00 0.00 H ATOM 120 HG21 ILE A 8 14.341 13.177 16.630 1.00 0.00 H ATOM 121 HG22 ILE A 8 14.539 14.826 17.273 1.00 0.00 H ATOM 122 HG23 ILE A 8 14.953 14.476 15.576 1.00 0.00 H ATOM 123 H ILE A 8 18.420 12.555 18.130 1.00 0.00 H ATOM 124 N TYR A 9 14.632 11.886 19.472 1.00 17.69 N ATOM 125 CA TYR A 9 13.832 10.716 19.818 1.00 18.53 C ATOM 126 C TYR A 9 12.354 10.736 19.464 1.00 16.58 C ATOM 127 O TYR A 9 11.675 11.725 19.674 1.00 16.13 O ATOM 128 CB TYR A 9 13.975 10.511 21.327 1.00 19.13 C ATOM 129 CG TYR A 9 13.159 9.397 21.944 1.00 23.95 C ATOM 130 CD1 TYR A 9 13.538 8.065 21.793 1.00 17.92 C ATOM 131 CD2 TYR A 9 12.037 9.682 22.735 1.00 24.10 C ATOM 132 CE1 TYR A 9 12.833 7.043 22.419 1.00 22.31 C ATOM 133 CE2 TYR A 9 11.318 8.661 23.361 1.00 21.12 C ATOM 134 CZ TYR A 9 11.727 7.342 23.201 1.00 21.97 C ATOM 135 OH TYR A 9 11.044 6.311 23.818 1.00 21.87 O ATOM 136 HA TYR A 9 14.225 9.906 19.204 1.00 0.00 H ATOM 137 HB3 TYR A 9 13.686 11.442 21.815 1.00 0.00 H ATOM 138 HB2 TYR A 9 15.025 10.305 21.534 1.00 0.00 H ATOM 139 HD2 TYR A 9 11.721 10.717 22.864 1.00 0.00 H ATOM 140 HE2 TYR A 9 10.445 8.896 23.969 1.00 0.00 H ATOM 141 HE1 TYR A 9 13.149 6.007 22.295 1.00 0.00 H ATOM 142 HD1 TYR A 9 14.401 7.820 21.174 1.00 0.00 H ATOM 143 HH TYR A 9 11.475 5.449 23.592 1.00 0.00 H ATOM 144 H TYR A 9 14.446 12.775 19.979 1.00 0.00 H ATOM 145 N ASN A 10 11.858 9.634 18.914 1.00 16.03 N ATOM 146 CA ASN A 10 10.435 9.543 18.624 1.00 20.24 C ATOM 147 C ASN A 10 9.863 8.539 19.613 1.00 23.52 C ATOM 148 O ASN A 10 10.208 7.346 19.578 1.00 17.54 O ATOM 149 CB ASN A 10 10.163 9.058 17.211 1.00 18.56 C ATOM 150 CG ASN A 10 8.678 8.897 16.950 1.00 24.35 C ATOM 151 OD1 ASN A 10 8.144 7.792 16.996 1.00 26.56 O ATOM 152 ND2 ASN A 10 7.999 10.014 16.698 1.00 21.37 N ATOM 153 HA ASN A 10 9.980 10.530 18.711 1.00 0.00 H ATOM 154 HB2 ASN A 10 10.570 9.781 16.504 1.00 0.00 H ATOM 155 HB3 ASN A 10 10.654 8.095 17.067 1.00 0.00 H ATOM 156 HD22 ASN A 10 8.494 10.928 16.669 1.00 0.00 H ATOM 157 HD21 ASN A 10 6.973 9.972 16.530 1.00 0.00 H ATOM 158 H ASN A 10 12.486 8.836 18.691 1.00 0.00 H ATOM 159 N GLU A 11 8.995 9.027 20.494 1.00 24.98 N ATOM 160 CA GLU A 11 8.399 8.186 21.525 1.00 30.41 C ATOM 161 C GLU A 11 7.650 6.969 20.995 1.00 28.86 C ATOM 162 O GLU A 11 7.872 5.855 21.456 1.00 31.28 O ATOM 163 CB GLU A 11 7.465 9.019 22.412 1.00 32.48 C ATOM 164 CG GLU A 11 7.029 8.297 23.680 1.00 39.01 C ATOM 165 CD GLU A 11 6.140 9.150 24.570 1.00 42.28 C ATOM 166 OE1 GLU A 11 6.509 10.310 24.846 1.00 46.38 O ATOM 167 OE2 GLU A 11 5.076 8.656 25.001 1.00 45.44 O ATOM 168 HA GLU A 11 9.237 7.796 22.103 1.00 0.00 H ATOM 169 HB2 GLU A 11 7.984 9.934 22.697 1.00 0.00 H ATOM 170 HB3 GLU A 11 6.575 9.272 21.835 1.00 0.00 H ATOM 171 HG2 GLU A 11 6.480 7.399 23.398 1.00 0.00 H ATOM 172 HG3 GLU A 11 7.918 8.016 24.244 1.00 0.00 H ATOM 173 H GLU A 11 8.735 10.033 20.447 1.00 0.00 H ATOM 174 N ASP A 12 6.776 7.167 20.015 1.00 29.29 N ATOM 175 CA ASP A 12 6.004 6.054 19.484 1.00 26.91 C ATOM 176 C ASP A 12 6.852 4.873 19.010 1.00 28.08 C ATOM 177 O ASP A 12 6.559 3.730 19.353 1.00 25.27 O ATOM 178 CB ASP A 12 5.096 6.517 18.343 1.00 30.88 C ATOM 179 CG ASP A 12 3.962 5.541 18.075 1.00 31.85 C ATOM 180 OD1 ASP A 12 3.692 5.243 16.894 1.00 32.55 O ATOM 181 OD2 ASP A 12 3.333 5.077 19.053 1.00 32.20 O ATOM 182 HA ASP A 12 5.407 5.695 20.323 1.00 0.00 H ATOM 183 HB2 ASP A 12 4.670 7.486 18.605 1.00 0.00 H ATOM 184 HB3 ASP A 12 5.694 6.617 17.437 1.00 0.00 H ATOM 185 H ASP A 12 6.643 8.122 19.625 1.00 0.00 H ATOM 186 N HIS A 13 7.891 5.139 18.218 1.00 25.01 N ATOM 187 CA HIS A 13 8.754 4.072 17.714 1.00 21.26 C ATOM 188 C HIS A 13 9.872 3.694 18.683 1.00 22.18 C ATOM 189 O HIS A 13 10.498 2.643 18.537 1.00 21.22 O ATOM 190 CB HIS A 13 9.416 4.477 16.393 1.00 23.65 C ATOM 191 CG HIS A 13 8.470 4.583 15.238 1.00 25.43 C ATOM 192 ND1 HIS A 13 7.848 5.763 14.891 1.00 22.06 N ATOM 193 CD2 HIS A 13 8.052 3.655 14.344 1.00 21.29 C ATOM 194 CE1 HIS A 13 7.090 5.557 13.828 1.00 23.73 C ATOM 195 NE2 HIS A 13 7.196 4.285 13.478 1.00 26.43 N ATOM 196 HA HIS A 13 8.095 3.214 17.580 1.00 0.00 H ATOM 197 HB2 HIS A 13 9.894 5.446 16.533 1.00 0.00 H ATOM 198 HB3 HIS A 13 10.173 3.732 16.148 1.00 0.00 H ATOM 199 HD2 HIS A 13 8.342 2.605 14.318 1.00 0.00 H ATOM 200 HE1 HIS A 13 6.481 6.308 13.325 1.00 0.00 H ATOM 201 H HIS A 13 8.091 6.125 17.954 1.00 0.00 H ATOM 202 N LYS A 14 10.130 4.555 19.662 1.00 21.79 N ATOM 203 CA LYS A 14 11.212 4.314 20.608 1.00 22.98 C ATOM 204 C LYS A 14 12.515 4.200 19.808 1.00 23.38 C ATOM 205 O LYS A 14 13.322 3.302 20.029 1.00 25.88 O ATOM 206 CB LYS A 14 10.960 3.030 21.404 1.00 27.32 C ATOM 207 CG LYS A 14 9.634 3.014 22.150 1.00 27.65 C ATOM 208 CD LYS A 14 9.393 1.663 22.800 1.00 27.72 C ATOM 209 CE LYS A 14 8.024 1.600 23.457 1.00 27.90 C ATOM 210 NZ LYS A 14 7.763 0.272 24.078 1.00 28.02 N ATOM 211 HA LYS A 14 11.275 5.134 21.323 1.00 0.00 H ATOM 212 HB2 LYS A 14 10.974 2.189 20.711 1.00 0.00 H ATOM 213 HB3 LYS A 14 11.764 2.914 22.131 1.00 0.00 H ATOM 214 HG2 LYS A 14 9.649 3.784 22.922 1.00 0.00 H ATOM 215 HG3 LYS A 14 8.827 3.221 21.448 1.00 0.00 H ATOM 216 HD2 LYS A 14 9.457 0.886 22.038 1.00 0.00 H ATOM 217 HD3 LYS A 14 10.158 1.492 23.557 1.00 0.00 H ATOM 218 HE2 LYS A 14 7.262 1.791 22.702 1.00 0.00 H ATOM 219 HE3 LYS A 14 7.969 2.367 24.230 1.00 0.00 H ATOM 220 HZ1 LYS A 14 7.807 -0.466 23.347 1.00 0.00 H ATOM 221 HZ2 LYS A 14 8.482 0.084 24.806 1.00 0.00 H ATOM 222 HZ3 LYS A 14 6.819 0.274 24.514 1.00 0.00 H ATOM 223 H LYS A 14 9.551 5.414 19.754 1.00 0.00 H ATOM 224 N ARG A 15 12.708 5.118 18.867 1.00 23.40 N ATOM 225 CA ARG A 15 13.912 5.133 18.038 1.00 22.82 C ATOM 226 C ARG A 15 14.461 6.550 17.927 1.00 22.11 C ATOM 227 O ARG A 15 13.740 7.518 18.148 1.00 20.12 O ATOM 228 CB ARG A 15 13.610 4.581 16.637 1.00 21.91 C ATOM 229 CG ARG A 15 13.405 3.072 16.608 1.00 23.68 C ATOM 230 CD ARG A 15 12.884 2.595 15.265 1.00 30.39 C ATOM 231 NE ARG A 15 13.911 2.499 14.226 1.00 30.48 N ATOM 232 CZ ARG A 15 14.892 1.602 14.213 1.00 31.88 C ATOM 233 NH1 ARG A 15 15.000 0.705 15.190 1.00 34.82 N ATOM 234 NH2 ARG A 15 15.760 1.590 13.211 1.00 34.56 N ATOM 235 HA ARG A 15 14.660 4.498 18.512 1.00 0.00 H ATOM 236 HB2 ARG A 15 12.704 5.059 16.266 1.00 0.00 H ATOM 237 HB3 ARG A 15 14.445 4.828 15.981 1.00 0.00 H ATOM 238 HG2 ARG A 15 14.358 2.583 16.810 1.00 0.00 H ATOM 239 HG3 ARG A 15 12.687 2.799 17.381 1.00 0.00 H ATOM 240 HD2 ARG A 15 12.118 3.293 14.927 1.00 0.00 H ATOM 241 HD3 ARG A 15 12.440 1.609 15.400 1.00 0.00 H ATOM 242 HE ARG A 15 13.870 3.181 13.442 1.00 0.00 H ATOM 243 HH12 ARG A 15 15.771 0.007 15.172 1.00 0.00 H ATOM 244 HH11 ARG A 15 14.314 0.702 15.972 1.00 0.00 H ATOM 245 HH22 ARG A 15 16.529 0.890 13.197 1.00 0.00 H ATOM 246 HH21 ARG A 15 15.672 2.281 12.439 1.00 0.00 H ATOM 247 H ARG A 15 11.982 5.847 18.716 1.00 0.00 H ATOM 248 N CYS A 16 15.741 6.656 17.582 1.00 21.29 N ATOM 249 CA CYS A 16 16.419 7.941 17.445 1.00 20.04 C ATOM 250 C CYS A 16 16.926 8.154 16.023 1.00 19.12 C ATOM 251 O CYS A 16 17.222 7.190 15.310 1.00 18.33 O ATOM 252 CB CYS A 16 17.602 8.014 18.423 1.00 21.00 C ATOM 253 SG CYS A 16 17.077 8.220 20.161 1.00 23.89 S ATOM 254 HA CYS A 16 15.698 8.725 17.674 1.00 0.00 H ATOM 255 HB2 CYS A 16 18.230 8.861 18.147 1.00 0.00 H ATOM 256 HB3 CYS A 16 18.179 7.093 18.341 1.00 0.00 H ATOM 257 H CYS A 16 16.282 5.786 17.402 1.00 0.00 H ATOM 258 N VAL A 17 17.023 9.419 15.625 1.00 17.62 N ATOM 259 CA VAL A 17 17.491 9.783 14.296 1.00 17.88 C ATOM 260 C VAL A 17 18.937 9.327 14.153 1.00 21.70 C ATOM 261 O VAL A 17 19.745 9.493 15.065 1.00 21.25 O ATOM 262 CB VAL A 17 17.394 11.308 14.079 1.00 15.25 C ATOM 263 CG1 VAL A 17 18.023 11.690 12.732 1.00 14.27 C ATOM 264 CG2 VAL A 17 15.917 11.749 14.121 1.00 12.01 C ATOM 265 HA VAL A 17 16.866 9.298 13.546 1.00 0.00 H ATOM 266 HB VAL A 17 17.938 11.816 14.875 1.00 0.00 H ATOM 267 HG11 VAL A 17 19.072 11.393 12.725 1.00 0.00 H ATOM 268 HG12 VAL A 17 17.494 11.179 11.927 1.00 0.00 H ATOM 269 HG13 VAL A 17 17.948 12.768 12.590 1.00 0.00 H ATOM 270 HG21 VAL A 17 15.364 11.237 13.334 1.00 0.00 H ATOM 271 HG22 VAL A 17 15.491 11.495 15.091 1.00 0.00 H ATOM 272 HG23 VAL A 17 15.856 12.826 13.967 1.00 0.00 H ATOM 273 H VAL A 17 16.755 10.175 16.287 1.00 0.00 H ATOM 274 N ASP A 18 19.264 8.746 13.008 1.00 21.92 N ATOM 275 CA ASP A 18 20.613 8.239 12.786 1.00 22.14 C ATOM 276 C ASP A 18 21.148 8.702 11.439 1.00 21.85 C ATOM 277 O ASP A 18 20.581 8.368 10.404 1.00 20.82 O ATOM 278 CB ASP A 18 20.585 6.708 12.853 1.00 26.28 C ATOM 279 CG ASP A 18 21.972 6.091 12.916 1.00 30.64 C ATOM 280 OD1 ASP A 18 22.943 6.815 13.216 1.00 31.62 O ATOM 281 OD2 ASP A 18 22.082 4.865 12.678 1.00 31.95 O ATOM 282 HA ASP A 18 21.276 8.628 13.559 1.00 0.00 H ATOM 283 HB2 ASP A 18 20.031 6.409 13.743 1.00 0.00 H ATOM 284 HB3 ASP A 18 20.077 6.330 11.966 1.00 0.00 H ATOM 285 H ASP A 18 18.550 8.650 12.258 1.00 0.00 H ATOM 286 N ALA A 19 22.233 9.473 11.461 1.00 18.86 N ATOM 287 CA ALA A 19 22.845 9.979 10.237 1.00 19.19 C ATOM 288 C ALA A 19 23.797 8.937 9.660 1.00 20.27 C ATOM 289 O ALA A 19 24.788 8.583 10.290 1.00 20.76 O ATOM 290 CB ALA A 19 23.595 11.277 10.519 1.00 14.60 C ATOM 291 HA ALA A 19 22.059 10.181 9.509 1.00 0.00 H ATOM 292 HB1 ALA A 19 22.898 12.022 10.904 1.00 0.00 H ATOM 293 HB2 ALA A 19 24.375 11.091 11.258 1.00 0.00 H ATOM 294 HB3 ALA A 19 24.046 11.642 9.596 1.00 0.00 H ATOM 295 H ALA A 19 22.657 9.722 12.378 1.00 0.00 H ATOM 296 N LEU A 20 23.495 8.451 8.461 1.00 18.35 N ATOM 297 CA LEU A 20 24.333 7.444 7.821 1.00 21.16 C ATOM 298 C LEU A 20 25.345 8.039 6.844 1.00 21.82 C ATOM 299 O LEU A 20 26.468 7.540 6.718 1.00 18.15 O ATOM 300 CB LEU A 20 23.452 6.411 7.114 1.00 23.15 C ATOM 301 CG LEU A 20 22.598 5.593 8.091 1.00 25.63 C ATOM 302 CD1 LEU A 20 21.840 4.502 7.338 1.00 26.73 C ATOM 303 CD2 LEU A 20 23.501 4.978 9.167 1.00 24.18 C ATOM 304 HA LEU A 20 24.913 6.962 8.608 1.00 0.00 H ATOM 305 HB2 LEU A 20 22.789 6.932 6.423 1.00 0.00 H ATOM 306 HB3 LEU A 20 24.093 5.729 6.556 1.00 0.00 H ATOM 307 HG LEU A 20 21.870 6.246 8.572 1.00 0.00 H ATOM 308 HD21 LEU A 20 24.237 4.328 8.694 1.00 0.00 H ATOM 309 HD22 LEU A 20 24.012 5.774 9.709 1.00 0.00 H ATOM 310 HD23 LEU A 20 22.893 4.397 9.861 1.00 0.00 H ATOM 311 HD11 LEU A 20 21.191 4.961 6.592 1.00 0.00 H ATOM 312 HD12 LEU A 20 22.552 3.841 6.844 1.00 0.00 H ATOM 313 HD13 LEU A 20 21.237 3.928 8.042 1.00 0.00 H ATOM 314 H LEU A 20 22.645 8.795 7.970 1.00 0.00 H ATOM 315 N SER A 21 24.941 9.108 6.164 1.00 18.61 N ATOM 316 CA SER A 21 25.807 9.786 5.209 1.00 22.04 C ATOM 317 C SER A 21 25.121 11.086 4.826 1.00 20.97 C ATOM 318 O SER A 21 24.000 11.341 5.248 1.00 20.71 O ATOM 319 CB SER A 21 26.023 8.921 3.956 1.00 23.71 C ATOM 320 OG SER A 21 24.826 8.790 3.199 1.00 23.77 O ATOM 321 HA SER A 21 26.785 9.972 5.653 1.00 0.00 H ATOM 322 HB2 SER A 21 26.358 7.930 4.263 1.00 0.00 H ATOM 323 HB3 SER A 21 26.787 9.385 3.333 1.00 0.00 H ATOM 324 HG SER A 21 25.001 8.229 2.402 1.00 0.00 H ATOM 325 H SER A 21 23.979 9.471 6.319 1.00 0.00 H ATOM 326 N ALA A 22 25.791 11.902 4.023 1.00 21.09 N ATOM 327 CA ALA A 22 25.225 13.175 3.602 1.00 22.86 C ATOM 328 C ALA A 22 23.905 12.992 2.856 1.00 24.15 C ATOM 329 O ALA A 22 23.100 13.916 2.791 1.00 27.11 O ATOM 330 CB ALA A 22 26.231 13.933 2.720 1.00 25.66 C ATOM 331 HA ALA A 22 25.017 13.758 4.500 1.00 0.00 H ATOM 332 HB1 ALA A 22 27.144 14.116 3.287 1.00 0.00 H ATOM 333 HB2 ALA A 22 26.463 13.335 1.839 1.00 0.00 H ATOM 334 HB3 ALA A 22 25.797 14.884 2.411 1.00 0.00 H ATOM 335 H ALA A 22 26.737 11.627 3.689 1.00 0.00 H ATOM 336 N ILE A 23 23.682 11.806 2.293 1.00 21.31 N ATOM 337 CA ILE A 23 22.444 11.549 1.553 1.00 24.85 C ATOM 338 C ILE A 23 21.576 10.488 2.216 1.00 22.31 C ATOM 339 O ILE A 23 20.684 9.932 1.593 1.00 25.50 O ATOM 340 CB ILE A 23 22.716 11.081 0.095 1.00 22.80 C ATOM 341 CG1 ILE A 23 23.316 9.674 0.105 1.00 19.60 C ATOM 342 CG2 ILE A 23 23.634 12.066 -0.612 1.00 23.01 C ATOM 343 CD1 ILE A 23 23.464 9.052 -1.280 1.00 23.15 C ATOM 344 HA ILE A 23 21.921 12.505 1.549 1.00 0.00 H ATOM 345 HB ILE A 23 21.775 11.048 -0.454 1.00 0.00 H ATOM 346 HG12 ILE A 23 24.303 9.725 0.565 1.00 0.00 H ATOM 347 HG13 ILE A 23 22.671 9.030 0.703 1.00 0.00 H ATOM 348 HD11 ILE A 23 22.484 8.981 -1.752 1.00 0.00 H ATOM 349 HD12 ILE A 23 24.117 9.676 -1.889 1.00 0.00 H ATOM 350 HD13 ILE A 23 23.896 8.056 -1.185 1.00 0.00 H ATOM 351 HG21 ILE A 23 23.162 13.048 -0.635 1.00 0.00 H ATOM 352 HG22 ILE A 23 24.580 12.128 -0.075 1.00 0.00 H ATOM 353 HG23 ILE A 23 23.815 11.725 -1.631 1.00 0.00 H ATOM 354 H ILE A 23 24.395 11.054 2.380 1.00 0.00 H ATOM 355 N SER A 24 21.834 10.210 3.484 1.00 23.57 N ATOM 356 CA SER A 24 21.057 9.202 4.188 1.00 22.06 C ATOM 357 C SER A 24 20.927 9.465 5.687 1.00 21.34 C ATOM 358 O SER A 24 21.906 9.382 6.425 1.00 22.94 O ATOM 359 CB SER A 24 21.685 7.824 3.964 1.00 20.10 C ATOM 360 OG SER A 24 20.982 6.812 4.667 1.00 21.12 O ATOM 361 HA SER A 24 20.049 9.243 3.776 1.00 0.00 H ATOM 362 HB2 SER A 24 22.718 7.845 4.311 1.00 0.00 H ATOM 363 HB3 SER A 24 21.666 7.594 2.899 1.00 0.00 H ATOM 364 HG SER A 24 20.044 6.784 4.352 1.00 0.00 H ATOM 365 H SER A 24 22.596 10.715 3.980 1.00 0.00 H ATOM 366 N VAL A 25 19.718 9.804 6.124 1.00 20.03 N ATOM 367 CA VAL A 25 19.451 10.030 7.543 1.00 19.79 C ATOM 368 C VAL A 25 18.241 9.172 7.876 1.00 17.95 C ATOM 369 O VAL A 25 17.136 9.423 7.401 1.00 20.97 O ATOM 370 CB VAL A 25 19.172 11.518 7.854 1.00 20.00 C ATOM 371 CG1 VAL A 25 18.767 11.688 9.311 1.00 20.01 C ATOM 372 CG2 VAL A 25 20.428 12.332 7.592 1.00 15.09 C ATOM 373 HA VAL A 25 20.319 9.763 8.145 1.00 0.00 H ATOM 374 HB VAL A 25 18.360 11.864 7.214 1.00 0.00 H ATOM 375 HG11 VAL A 25 17.865 11.109 9.506 1.00 0.00 H ATOM 376 HG12 VAL A 25 19.573 11.335 9.954 1.00 0.00 H ATOM 377 HG13 VAL A 25 18.574 12.742 9.513 1.00 0.00 H ATOM 378 HG21 VAL A 25 21.234 11.971 8.231 1.00 0.00 H ATOM 379 HG22 VAL A 25 20.717 12.226 6.546 1.00 0.00 H ATOM 380 HG23 VAL A 25 20.232 13.381 7.811 1.00 0.00 H ATOM 381 H VAL A 25 18.943 9.911 5.439 1.00 0.00 H ATOM 382 N GLN A 26 18.469 8.131 8.669 1.00 17.46 N ATOM 383 CA GLN A 26 17.409 7.198 9.034 1.00 20.73 C ATOM 384 C GLN A 26 17.192 7.185 10.543 1.00 19.90 C ATOM 385 O GLN A 26 17.317 8.219 11.196 1.00 18.20 O ATOM 386 CB GLN A 26 17.772 5.795 8.518 1.00 20.06 C ATOM 387 CG GLN A 26 18.298 5.804 7.071 1.00 21.27 C ATOM 388 CD GLN A 26 18.503 4.409 6.473 1.00 23.38 C ATOM 389 OE1 GLN A 26 18.683 3.422 7.194 1.00 23.70 O ATOM 390 NE2 GLN A 26 18.501 4.332 5.141 1.00 21.84 N ATOM 391 HA GLN A 26 16.474 7.518 8.574 1.00 0.00 H ATOM 392 HB2 GLN A 26 18.542 5.375 9.165 1.00 0.00 H ATOM 393 HB3 GLN A 26 16.882 5.168 8.560 1.00 0.00 H ATOM 394 HG2 GLN A 26 17.582 6.342 6.449 1.00 0.00 H ATOM 395 HG3 GLN A 26 19.254 6.327 7.057 1.00 0.00 H ATOM 396 HE22 GLN A 26 18.346 5.188 4.571 1.00 0.00 H ATOM 397 HE21 GLN A 26 18.655 3.416 4.673 1.00 0.00 H ATOM 398 H GLN A 26 19.429 7.977 9.039 1.00 0.00 H ATOM 399 N THR A 27 16.854 6.020 11.091 1.00 21.15 N ATOM 400 CA THR A 27 16.633 5.880 12.528 1.00 21.08 C ATOM 401 C THR A 27 17.318 4.612 13.041 1.00 22.70 C ATOM 402 O THR A 27 17.715 3.751 12.260 1.00 21.89 O ATOM 403 CB THR A 27 15.129 5.796 12.878 1.00 22.55 C ATOM 404 OG1 THR A 27 14.569 4.604 12.312 1.00 24.98 O ATOM 405 CG2 THR A 27 14.381 7.011 12.339 1.00 21.87 C ATOM 406 HA THR A 27 17.053 6.766 13.003 1.00 0.00 H ATOM 407 HB THR A 27 15.027 5.774 13.963 1.00 0.00 H ATOM 408 HG1 THR A 27 14.678 4.625 11.328 1.00 0.00 H ATOM 409 HG23 THR A 27 14.806 7.918 12.769 1.00 0.00 H ATOM 410 HG21 THR A 27 14.476 7.043 11.254 1.00 0.00 H ATOM 411 HG22 THR A 27 13.328 6.938 12.611 1.00 0.00 H ATOM 412 H THR A 27 16.744 5.186 10.479 1.00 0.00 H ATOM 413 N ALA A 28 17.457 4.501 14.357 1.00 22.37 N ATOM 414 CA ALA A 28 18.100 3.329 14.946 1.00 23.61 C ATOM 415 C ALA A 28 17.781 3.257 16.418 1.00 24.40 C ATOM 416 O ALA A 28 17.218 4.200 16.987 1.00 23.50 O ATOM 417 CB ALA A 28 19.618 3.402 14.758 1.00 22.59 C ATOM 418 HA ALA A 28 17.723 2.437 14.446 1.00 0.00 H ATOM 419 HB1 ALA A 28 19.850 3.437 13.694 1.00 0.00 H ATOM 420 HB2 ALA A 28 20.000 4.299 15.244 1.00 0.00 H ATOM 421 HB3 ALA A 28 20.081 2.521 15.203 1.00 0.00 H ATOM 422 H ALA A 28 17.104 5.258 14.976 1.00 0.00 H ATOM 423 N THR A 29 18.113 2.130 17.040 1.00 25.33 N ATOM 424 CA THR A 29 17.891 1.992 18.470 1.00 26.61 C ATOM 425 C THR A 29 18.755 3.091 19.069 1.00 22.81 C ATOM 426 O THR A 29 19.904 3.265 18.662 1.00 22.00 O ATOM 427 CB THR A 29 18.373 0.635 18.993 1.00 28.65 C ATOM 428 OG1 THR A 29 17.569 -0.404 18.436 1.00 31.40 O ATOM 429 CG2 THR A 29 18.275 0.590 20.513 1.00 32.82 C ATOM 430 HA THR A 29 16.833 2.062 18.724 1.00 0.00 H ATOM 431 HB THR A 29 19.413 0.494 18.700 1.00 0.00 H ATOM 432 HG1 THR A 29 17.882 -1.280 18.775 1.00 0.00 H ATOM 433 HG23 THR A 29 18.889 1.383 20.939 1.00 0.00 H ATOM 434 HG21 THR A 29 17.237 0.731 20.813 1.00 0.00 H ATOM 435 HG22 THR A 29 18.629 -0.377 20.870 1.00 0.00 H ATOM 436 H THR A 29 18.533 1.345 16.502 1.00 0.00 H ATOM 437 N CYS A 30 18.209 3.829 20.025 1.00 21.75 N ATOM 438 CA CYS A 30 18.949 4.924 20.635 1.00 21.97 C ATOM 439 C CYS A 30 20.216 4.499 21.378 1.00 23.80 C ATOM 440 O CYS A 30 20.218 3.531 22.134 1.00 22.76 O ATOM 441 CB CYS A 30 18.032 5.704 21.574 1.00 22.52 C ATOM 442 SG CYS A 30 16.533 6.364 20.777 1.00 22.96 S ATOM 443 HA CYS A 30 19.288 5.552 19.811 1.00 0.00 H ATOM 444 HB2 CYS A 30 18.596 6.540 21.987 1.00 0.00 H ATOM 445 HB3 CYS A 30 17.726 5.040 22.382 1.00 0.00 H ATOM 446 H CYS A 30 17.240 3.623 20.343 1.00 0.00 H ATOM 447 N ASN A 31 21.292 5.245 21.142 1.00 24.47 N ATOM 448 CA ASN A 31 22.583 5.000 21.777 1.00 24.31 C ATOM 449 C ASN A 31 23.288 6.348 21.931 1.00 26.85 C ATOM 450 O ASN A 31 23.792 6.901 20.959 1.00 24.59 O ATOM 451 CB ASN A 31 23.433 4.082 20.904 1.00 24.69 C ATOM 452 CG ASN A 31 24.736 3.686 21.576 1.00 24.48 C ATOM 453 OD1 ASN A 31 25.247 4.403 22.436 1.00 19.64 O ATOM 454 ND2 ASN A 31 25.287 2.547 21.174 1.00 18.06 N ATOM 455 HA ASN A 31 22.440 4.522 22.746 1.00 0.00 H ATOM 456 HB2 ASN A 31 22.863 3.179 20.686 1.00 0.00 H ATOM 457 HB3 ASN A 31 23.663 4.599 19.972 1.00 0.00 H ATOM 458 HD22 ASN A 31 24.820 1.972 20.444 1.00 0.00 H ATOM 459 HD21 ASN A 31 26.186 2.229 21.589 1.00 0.00 H ATOM 460 H ASN A 31 21.209 6.039 20.475 1.00 0.00 H ATOM 461 N PRO A 32 23.336 6.893 23.159 1.00 27.10 N ATOM 462 CA PRO A 32 23.983 8.184 23.412 1.00 27.16 C ATOM 463 C PRO A 32 25.474 8.195 23.104 1.00 26.67 C ATOM 464 O PRO A 32 26.094 9.256 23.069 1.00 29.11 O ATOM 465 CB PRO A 32 23.697 8.424 24.892 1.00 27.79 C ATOM 466 CG PRO A 32 23.725 7.048 25.452 1.00 27.65 C ATOM 467 CD PRO A 32 22.909 6.274 24.425 1.00 27.73 C ATOM 468 HA PRO A 32 23.599 8.969 22.760 1.00 0.00 H ATOM 469 HD3 PRO A 32 23.151 5.211 24.447 1.00 0.00 H ATOM 470 HD2 PRO A 32 21.839 6.406 24.589 1.00 0.00 H ATOM 471 HG3 PRO A 32 23.260 7.011 26.437 1.00 0.00 H ATOM 472 HG2 PRO A 32 24.744 6.667 25.518 1.00 0.00 H ATOM 473 HB2 PRO A 32 24.465 9.050 25.346 1.00 0.00 H ATOM 474 HB3 PRO A 32 22.721 8.888 25.035 1.00 0.00 H ATOM 475 N GLU A 33 26.045 7.015 22.877 1.00 28.64 N ATOM 476 CA GLU A 33 27.475 6.889 22.572 1.00 30.18 C ATOM 477 C GLU A 33 27.788 6.923 21.078 1.00 30.25 C ATOM 478 O GLU A 33 28.955 7.029 20.685 1.00 32.95 O ATOM 479 CB GLU A 33 28.025 5.586 23.159 1.00 28.76 C ATOM 480 CG GLU A 33 28.114 5.586 24.673 1.00 30.43 C ATOM 481 CD GLU A 33 28.371 4.204 25.239 1.00 27.83 C ATOM 482 OE1 GLU A 33 28.883 3.338 24.493 1.00 21.81 O ATOM 483 OE2 GLU A 33 28.065 3.995 26.433 1.00 27.22 O ATOM 484 HA GLU A 33 27.954 7.757 23.025 1.00 0.00 H ATOM 485 HB2 GLU A 33 27.372 4.768 22.853 1.00 0.00 H ATOM 486 HB3 GLU A 33 29.024 5.422 22.756 1.00 0.00 H ATOM 487 HG2 GLU A 33 28.928 6.245 24.976 1.00 0.00 H ATOM 488 HG3 GLU A 33 27.174 5.961 25.079 1.00 0.00 H ATOM 489 H GLU A 33 25.460 6.156 22.917 1.00 0.00 H ATOM 490 N ALA A 34 26.754 6.829 20.248 1.00 26.45 N ATOM 491 CA ALA A 34 26.948 6.835 18.800 1.00 26.07 C ATOM 492 C ALA A 34 26.993 8.247 18.215 1.00 25.38 C ATOM 493 O ALA A 34 25.987 8.966 18.210 1.00 22.44 O ATOM 494 CB ALA A 34 25.845 6.025 18.127 1.00 28.35 C ATOM 495 HA ALA A 34 27.918 6.379 18.604 1.00 0.00 H ATOM 496 HB1 ALA A 34 25.876 4.998 18.491 1.00 0.00 H ATOM 497 HB2 ALA A 34 24.877 6.466 18.363 1.00 0.00 H ATOM 498 HB3 ALA A 34 25.996 6.034 17.048 1.00 0.00 H ATOM 499 H ALA A 34 25.792 6.750 20.635 1.00 0.00 H ATOM 500 N GLU A 35 28.164 8.634 17.716 1.00 25.43 N ATOM 501 CA GLU A 35 28.351 9.960 17.123 1.00 26.50 C ATOM 502 C GLU A 35 27.320 10.226 16.036 1.00 21.43 C ATOM 503 O GLU A 35 26.793 11.331 15.927 1.00 22.91 O ATOM 504 CB GLU A 35 29.750 10.093 16.508 1.00 32.18 C ATOM 505 CG GLU A 35 30.886 10.139 17.508 1.00 43.10 C ATOM 506 CD GLU A 35 30.810 11.348 18.417 1.00 47.20 C ATOM 507 OE1 GLU A 35 30.280 11.221 19.545 1.00 50.65 O ATOM 508 OE2 GLU A 35 31.273 12.430 17.992 1.00 54.75 O ATOM 509 HA GLU A 35 28.230 10.688 17.926 1.00 0.00 H ATOM 510 HB2 GLU A 35 29.913 9.240 15.850 1.00 0.00 H ATOM 511 HB3 GLU A 35 29.777 11.012 15.923 1.00 0.00 H ATOM 512 HG2 GLU A 35 30.850 9.238 18.120 1.00 0.00 H ATOM 513 HG3 GLU A 35 31.830 10.169 16.964 1.00 0.00 H ATOM 514 H GLU A 35 28.969 7.976 17.748 1.00 0.00 H ATOM 515 N SER A 36 27.034 9.208 15.236 1.00 21.60 N ATOM 516 CA SER A 36 26.076 9.347 14.144 1.00 23.30 C ATOM 517 C SER A 36 24.673 9.706 14.620 1.00 23.71 C ATOM 518 O SER A 36 23.836 10.122 13.825 1.00 25.36 O ATOM 519 CB SER A 36 26.026 8.057 13.315 1.00 23.51 C ATOM 520 OG SER A 36 25.590 6.964 14.100 1.00 24.50 O ATOM 521 HA SER A 36 26.427 10.176 13.529 1.00 0.00 H ATOM 522 HB2 SER A 36 27.022 7.843 12.928 1.00 0.00 H ATOM 523 HB3 SER A 36 25.336 8.195 12.482 1.00 0.00 H ATOM 524 HG SER A 36 24.683 7.152 14.450 1.00 0.00 H ATOM 525 H SER A 36 27.502 8.292 15.390 1.00 0.00 H ATOM 526 N GLN A 37 24.423 9.550 15.917 1.00 22.81 N ATOM 527 CA GLN A 37 23.122 9.866 16.498 1.00 24.13 C ATOM 528 C GLN A 37 23.117 11.218 17.206 1.00 23.90 C ATOM 529 O GLN A 37 22.081 11.679 17.675 1.00 23.39 O ATOM 530 CB GLN A 37 22.707 8.773 17.486 1.00 20.68 C ATOM 531 CG GLN A 37 22.141 7.522 16.820 1.00 20.34 C ATOM 532 CD GLN A 37 21.687 6.478 17.824 1.00 20.29 C ATOM 533 OE1 GLN A 37 20.961 6.787 18.767 1.00 18.41 O ATOM 534 NE2 GLN A 37 22.107 5.232 17.620 1.00 16.35 N ATOM 535 HA GLN A 37 22.409 9.918 15.676 1.00 0.00 H ATOM 536 HB2 GLN A 37 23.582 8.486 18.069 1.00 0.00 H ATOM 537 HB3 GLN A 37 21.947 9.182 18.152 1.00 0.00 H ATOM 538 HG2 GLN A 37 21.288 7.809 16.206 1.00 0.00 H ATOM 539 HG3 GLN A 37 22.913 7.085 16.186 1.00 0.00 H ATOM 540 HE22 GLN A 37 22.721 5.016 16.808 1.00 0.00 H ATOM 541 HE21 GLN A 37 21.822 4.474 18.272 1.00 0.00 H ATOM 542 H GLN A 37 25.178 9.192 16.536 1.00 0.00 H ATOM 543 N LYS A 38 24.278 11.859 17.279 1.00 25.76 N ATOM 544 CA LYS A 38 24.374 13.145 17.953 1.00 26.11 C ATOM 545 C LYS A 38 24.142 14.333 17.026 1.00 24.21 C ATOM 546 O LYS A 38 24.678 14.389 15.919 1.00 23.83 O ATOM 547 CB LYS A 38 25.741 13.278 18.627 1.00 26.87 C ATOM 548 CG LYS A 38 26.020 12.195 19.664 1.00 29.53 C ATOM 549 CD LYS A 38 27.365 12.419 20.339 1.00 31.64 C ATOM 550 CE LYS A 38 27.632 11.382 21.423 1.00 36.86 C ATOM 551 NZ LYS A 38 28.852 11.719 22.211 1.00 39.94 N ATOM 552 HA LYS A 38 23.577 13.166 18.697 1.00 0.00 H ATOM 553 HB2 LYS A 38 26.511 13.225 17.858 1.00 0.00 H ATOM 554 HB3 LYS A 38 25.789 14.249 19.121 1.00 0.00 H ATOM 555 HG2 LYS A 38 25.234 12.214 20.419 1.00 0.00 H ATOM 556 HG3 LYS A 38 26.026 11.223 19.171 1.00 0.00 H ATOM 557 HD2 LYS A 38 28.152 12.356 19.588 1.00 0.00 H ATOM 558 HD3 LYS A 38 27.373 13.411 20.790 1.00 0.00 H ATOM 559 HE2 LYS A 38 27.770 10.407 20.955 1.00 0.00 H ATOM 560 HE3 LYS A 38 26.775 11.343 22.095 1.00 0.00 H ATOM 561 HZ1 LYS A 38 29.675 11.752 21.576 1.00 0.00 H ATOM 562 HZ2 LYS A 38 28.725 12.646 22.665 1.00 0.00 H ATOM 563 HZ3 LYS A 38 29.004 10.993 22.940 1.00 0.00 H ATOM 564 H LYS A 38 25.127 11.438 16.850 1.00 0.00 H ATOM 565 N PHE A 39 23.336 15.283 17.492 1.00 22.69 N ATOM 566 CA PHE A 39 23.039 16.488 16.727 1.00 22.99 C ATOM 567 C PHE A 39 23.128 17.689 17.663 1.00 22.73 C ATOM 568 O PHE A 39 23.136 17.532 18.882 1.00 24.43 O ATOM 569 CB PHE A 39 21.631 16.421 16.124 1.00 20.98 C ATOM 570 CG PHE A 39 21.446 15.303 15.139 1.00 18.91 C ATOM 571 CD1 PHE A 39 21.107 14.023 15.569 1.00 19.22 C ATOM 572 CD2 PHE A 39 21.638 15.525 13.779 1.00 19.05 C ATOM 573 CE1 PHE A 39 20.962 12.977 14.656 1.00 16.55 C ATOM 574 CE2 PHE A 39 21.496 14.489 12.857 1.00 20.63 C ATOM 575 CZ PHE A 39 21.158 13.215 13.297 1.00 20.71 C ATOM 576 HA PHE A 39 23.757 16.579 15.912 1.00 0.00 H ATOM 577 HB2 PHE A 39 20.915 16.287 16.935 1.00 0.00 H ATOM 578 HB3 PHE A 39 21.429 17.364 15.616 1.00 0.00 H ATOM 579 HD2 PHE A 39 21.903 16.523 13.430 1.00 0.00 H ATOM 580 HE2 PHE A 39 21.650 14.678 11.795 1.00 0.00 H ATOM 581 HZ PHE A 39 21.046 12.402 12.579 1.00 0.00 H ATOM 582 HE1 PHE A 39 20.697 11.979 15.004 1.00 0.00 H ATOM 583 HD1 PHE A 39 20.953 13.835 16.632 1.00 0.00 H ATOM 584 H PHE A 39 22.905 15.163 18.431 1.00 0.00 H ATOM 585 N ARG A 40 23.206 18.888 17.097 1.00 22.54 N ATOM 586 CA ARG A 40 23.288 20.086 17.920 1.00 24.94 C ATOM 587 C ARG A 40 22.841 21.314 17.135 1.00 25.76 C ATOM 588 O ARG A 40 23.114 21.436 15.936 1.00 22.47 O ATOM 589 CB ARG A 40 24.725 20.296 18.418 1.00 28.98 C ATOM 590 CG ARG A 40 25.675 20.861 17.367 1.00 34.31 C ATOM 591 CD ARG A 40 27.133 20.633 17.747 1.00 39.55 C ATOM 592 NE ARG A 40 27.511 21.318 18.979 1.00 40.65 N ATOM 593 CZ ARG A 40 28.586 21.008 19.694 1.00 44.05 C ATOM 594 NH1 ARG A 40 29.385 20.025 19.298 1.00 49.33 N ATOM 595 NH2 ARG A 40 28.863 21.678 20.804 1.00 47.52 N ATOM 596 HA ARG A 40 22.625 19.951 18.775 1.00 0.00 H ATOM 597 HB2 ARG A 40 24.697 20.987 19.261 1.00 0.00 H ATOM 598 HB3 ARG A 40 25.116 19.334 18.751 1.00 0.00 H ATOM 599 HG2 ARG A 40 25.478 20.373 16.413 1.00 0.00 H ATOM 600 HG3 ARG A 40 25.498 21.932 17.269 1.00 0.00 H ATOM 601 HD2 ARG A 40 27.765 20.998 16.937 1.00 0.00 H ATOM 602 HD3 ARG A 40 27.295 19.563 17.879 1.00 0.00 H ATOM 603 HE ARG A 40 26.904 22.093 19.316 1.00 0.00 H ATOM 604 HH12 ARG A 40 30.227 19.782 19.858 1.00 0.00 H ATOM 605 HH11 ARG A 40 29.169 19.498 18.428 1.00 0.00 H ATOM 606 HH22 ARG A 40 29.706 21.433 21.362 1.00 0.00 H ATOM 607 HH21 ARG A 40 28.238 22.448 21.116 1.00 0.00 H ATOM 608 H ARG A 40 23.209 18.971 16.060 1.00 0.00 H ATOM 609 N TRP A 41 22.140 22.214 17.814 1.00 20.68 N ATOM 610 CA TRP A 41 21.691 23.433 17.179 1.00 22.40 C ATOM 611 C TRP A 41 22.925 24.295 16.971 1.00 23.76 C ATOM 612 O TRP A 41 23.784 24.368 17.847 1.00 24.26 O ATOM 613 CB TRP A 41 20.694 24.174 18.071 1.00 20.67 C ATOM 614 CG TRP A 41 19.360 23.519 18.177 1.00 21.37 C ATOM 615 CD1 TRP A 41 18.970 22.591 19.094 1.00 21.36 C ATOM 616 CD2 TRP A 41 18.227 23.753 17.336 1.00 19.77 C ATOM 617 NE1 TRP A 41 17.664 22.235 18.883 1.00 22.61 N ATOM 618 CE2 TRP A 41 17.182 22.933 17.808 1.00 19.14 C ATOM 619 CE3 TRP A 41 17.994 24.580 16.227 1.00 22.24 C ATOM 620 CZ2 TRP A 41 15.912 22.913 17.211 1.00 22.59 C ATOM 621 CZ3 TRP A 41 16.732 24.565 15.633 1.00 21.23 C ATOM 622 CH2 TRP A 41 15.708 23.736 16.128 1.00 22.87 C ATOM 623 HA TRP A 41 21.190 23.211 16.237 1.00 0.00 H ATOM 624 HB2 TRP A 41 21.119 24.246 19.072 1.00 0.00 H ATOM 625 HB3 TRP A 41 20.551 25.175 17.665 1.00 0.00 H ATOM 626 HE1 TRP A 41 17.126 21.547 19.447 1.00 0.00 H ATOM 627 HD1 TRP A 41 19.606 22.189 19.883 1.00 0.00 H ATOM 628 HZ2 TRP A 41 15.118 22.270 17.591 1.00 0.00 H ATOM 629 HH2 TRP A 41 14.732 23.746 15.643 1.00 0.00 H ATOM 630 HZ3 TRP A 41 16.536 25.205 14.773 1.00 0.00 H ATOM 631 HE3 TRP A 41 18.784 25.222 15.837 1.00 0.00 H ATOM 632 H TRP A 41 21.911 22.040 18.814 1.00 0.00 H ATOM 633 N VAL A 42 23.028 24.930 15.812 1.00 23.79 N ATOM 634 CA VAL A 42 24.172 25.789 15.538 1.00 26.81 C ATOM 635 C VAL A 42 23.691 27.203 15.267 1.00 28.79 C ATOM 636 O VAL A 42 24.477 28.083 14.930 1.00 31.60 O ATOM 637 CB VAL A 42 24.986 25.288 14.331 1.00 27.31 C ATOM 638 CG1 VAL A 42 25.599 23.941 14.653 1.00 26.79 C ATOM 639 CG2 VAL A 42 24.094 25.188 13.102 1.00 24.99 C ATOM 640 HA VAL A 42 24.821 25.770 16.414 1.00 0.00 H ATOM 641 HB VAL A 42 25.786 25.997 14.118 1.00 0.00 H ATOM 642 HG11 VAL A 42 26.256 24.039 15.517 1.00 0.00 H ATOM 643 HG12 VAL A 42 24.807 23.227 14.877 1.00 0.00 H ATOM 644 HG13 VAL A 42 26.174 23.591 13.796 1.00 0.00 H ATOM 645 HG21 VAL A 42 23.281 24.489 13.300 1.00 0.00 H ATOM 646 HG22 VAL A 42 23.682 26.171 12.873 1.00 0.00 H ATOM 647 HG23 VAL A 42 24.682 24.833 12.256 1.00 0.00 H ATOM 648 H VAL A 42 22.286 24.814 15.093 1.00 0.00 H ATOM 649 N SER A 43 22.386 27.405 15.410 1.00 30.27 N ATOM 650 CA SER A 43 21.770 28.710 15.206 1.00 30.71 C ATOM 651 C SER A 43 20.320 28.602 15.662 1.00 29.85 C ATOM 652 O SER A 43 19.891 27.550 16.133 1.00 29.29 O ATOM 653 CB SER A 43 21.820 29.124 13.729 1.00 28.92 C ATOM 654 OG SER A 43 20.818 28.474 12.961 1.00 33.64 O ATOM 655 HA SER A 43 22.310 29.467 15.775 1.00 0.00 H ATOM 656 HB2 SER A 43 22.798 28.865 13.323 1.00 0.00 H ATOM 657 HB3 SER A 43 21.673 30.202 13.660 1.00 0.00 H ATOM 658 HG SER A 43 20.885 28.767 12.018 1.00 0.00 H ATOM 659 H SER A 43 21.781 26.602 15.677 1.00 0.00 H ATOM 660 N ASP A 44 19.570 29.687 15.520 1.00 29.79 N ATOM 661 CA ASP A 44 18.172 29.701 15.925 1.00 28.93 C ATOM 662 C ASP A 44 17.308 28.753 15.109 1.00 29.11 C ATOM 663 O ASP A 44 16.224 28.383 15.551 1.00 30.35 O ATOM 664 CB ASP A 44 17.593 31.115 15.804 1.00 29.73 C ATOM 665 CG ASP A 44 18.056 32.040 16.920 1.00 33.00 C ATOM 666 OD1 ASP A 44 17.852 33.267 16.801 1.00 32.44 O ATOM 667 OD2 ASP A 44 18.616 31.539 17.917 1.00 33.94 O ATOM 668 HA ASP A 44 18.155 29.365 16.962 1.00 0.00 H ATOM 669 HB2 ASP A 44 17.904 31.538 14.849 1.00 0.00 H ATOM 670 HB3 ASP A 44 16.505 31.050 15.834 1.00 0.00 H ATOM 671 H ASP A 44 19.990 30.546 15.111 1.00 0.00 H ATOM 672 N SER A 45 17.784 28.344 13.935 1.00 26.05 N ATOM 673 CA SER A 45 16.974 27.480 13.084 1.00 25.82 C ATOM 674 C SER A 45 17.635 26.251 12.454 1.00 23.88 C ATOM 675 O SER A 45 16.965 25.495 11.749 1.00 22.75 O ATOM 676 CB SER A 45 16.364 28.324 11.962 1.00 26.72 C ATOM 677 OG SER A 45 17.391 28.869 11.148 1.00 25.69 O ATOM 678 HA SER A 45 16.246 27.058 13.777 1.00 0.00 H ATOM 679 HB2 SER A 45 15.780 29.135 12.397 1.00 0.00 H ATOM 680 HB3 SER A 45 15.714 27.697 11.351 1.00 0.00 H ATOM 681 HG SER A 45 17.981 29.440 11.701 1.00 0.00 H ATOM 682 H SER A 45 18.732 28.640 13.625 1.00 0.00 H ATOM 683 N GLN A 46 18.928 26.044 12.687 1.00 21.45 N ATOM 684 CA GLN A 46 19.599 24.900 12.079 1.00 22.08 C ATOM 685 C GLN A 46 20.133 23.868 13.066 1.00 23.07 C ATOM 686 O GLN A 46 20.625 24.210 14.144 1.00 24.24 O ATOM 687 CB GLN A 46 20.761 25.377 11.215 1.00 19.72 C ATOM 688 CG GLN A 46 20.447 26.536 10.310 1.00 19.66 C ATOM 689 CD GLN A 46 21.711 27.216 9.829 1.00 26.01 C ATOM 690 OE1 GLN A 46 22.390 26.727 8.924 1.00 26.63 O ATOM 691 NE2 GLN A 46 22.051 28.339 10.455 1.00 25.79 N ATOM 692 HA GLN A 46 18.827 24.403 11.491 1.00 0.00 H ATOM 693 HB2 GLN A 46 21.574 25.675 11.877 1.00 0.00 H ATOM 694 HB3 GLN A 46 21.086 24.542 10.595 1.00 0.00 H ATOM 695 HG2 GLN A 46 19.889 26.172 9.447 1.00 0.00 H ATOM 696 HG3 GLN A 46 19.840 27.259 10.856 1.00 0.00 H ATOM 697 HE22 GLN A 46 21.447 28.715 11.214 1.00 0.00 H ATOM 698 HE21 GLN A 46 22.921 28.841 10.186 1.00 0.00 H ATOM 699 H GLN A 46 19.459 26.695 13.300 1.00 0.00 H ATOM 700 N ILE A 47 20.031 22.599 12.686 1.00 24.86 N ATOM 701 CA ILE A 47 20.538 21.512 13.512 1.00 22.53 C ATOM 702 C ILE A 47 21.631 20.824 12.712 1.00 23.02 C ATOM 703 O ILE A 47 21.441 20.478 11.545 1.00 22.96 O ATOM 704 CB ILE A 47 19.442 20.496 13.865 1.00 21.89 C ATOM 705 CG1 ILE A 47 18.340 21.188 14.672 1.00 22.81 C ATOM 706 CG2 ILE A 47 20.044 19.349 14.665 1.00 21.82 C ATOM 707 CD1 ILE A 47 17.241 20.271 15.126 1.00 22.06 C ATOM 708 HA ILE A 47 20.911 21.913 14.454 1.00 0.00 H ATOM 709 HB ILE A 47 19.008 20.095 12.949 1.00 0.00 H ATOM 710 HG12 ILE A 47 18.794 21.640 15.554 1.00 0.00 H ATOM 711 HG13 ILE A 47 17.900 21.968 14.051 1.00 0.00 H ATOM 712 HD11 ILE A 47 16.765 19.818 14.256 1.00 0.00 H ATOM 713 HD12 ILE A 47 17.660 19.490 15.760 1.00 0.00 H ATOM 714 HD13 ILE A 47 16.503 20.842 15.690 1.00 0.00 H ATOM 715 HG21 ILE A 47 20.815 18.858 14.071 1.00 0.00 H ATOM 716 HG22 ILE A 47 20.485 19.739 15.582 1.00 0.00 H ATOM 717 HG23 ILE A 47 19.262 18.631 14.913 1.00 0.00 H ATOM 718 H ILE A 47 19.578 22.377 11.777 1.00 0.00 H ATOM 719 N MET A 48 22.779 20.625 13.344 1.00 20.20 N ATOM 720 CA MET A 48 23.912 20.018 12.666 1.00 20.53 C ATOM 721 C MET A 48 24.217 18.608 13.159 1.00 20.89 C ATOM 722 O MET A 48 24.176 18.337 14.366 1.00 19.54 O ATOM 723 CB MET A 48 25.139 20.916 12.858 1.00 21.40 C ATOM 724 CG MET A 48 26.343 20.562 12.000 1.00 24.57 C ATOM 725 SD MET A 48 27.864 21.445 12.487 1.00 28.62 S ATOM 726 CE MET A 48 28.050 20.952 14.182 1.00 22.43 C ATOM 727 HA MET A 48 23.657 19.927 11.610 1.00 0.00 H ATOM 728 HB2 MET A 48 24.847 21.940 12.624 1.00 0.00 H ATOM 729 HB3 MET A 48 25.441 20.856 13.904 1.00 0.00 H ATOM 730 HG2 MET A 48 26.115 20.812 10.964 1.00 0.00 H ATOM 731 HG3 MET A 48 26.524 19.490 12.083 1.00 0.00 H ATOM 732 HE1 MET A 48 27.173 21.266 14.749 1.00 0.00 H ATOM 733 HE2 MET A 48 28.149 19.868 14.235 1.00 0.00 H ATOM 734 HE3 MET A 48 28.941 21.421 14.600 1.00 0.00 H ATOM 735 H MET A 48 22.870 20.908 14.341 1.00 0.00 H ATOM 736 N SER A 49 24.519 17.710 12.221 1.00 20.58 N ATOM 737 CA SER A 49 24.884 16.341 12.563 1.00 21.26 C ATOM 738 C SER A 49 26.306 16.412 13.103 1.00 22.59 C ATOM 739 O SER A 49 27.200 16.935 12.421 1.00 23.81 O ATOM 740 CB SER A 49 24.892 15.446 11.329 1.00 19.44 C ATOM 741 OG SER A 49 25.786 14.359 11.549 1.00 17.35 O ATOM 742 HA SER A 49 24.171 15.928 13.277 1.00 0.00 H ATOM 743 HB2 SER A 49 25.221 16.020 10.463 1.00 0.00 H ATOM 744 HB3 SER A 49 23.888 15.063 11.149 1.00 0.00 H ATOM 745 HG SER A 49 25.485 13.840 12.336 1.00 0.00 H ATOM 746 H SER A 49 24.494 17.993 11.221 1.00 0.00 H ATOM 747 N VAL A 50 26.517 15.920 14.322 1.00 23.53 N ATOM 748 CA VAL A 50 27.841 15.953 14.940 1.00 23.74 C ATOM 749 C VAL A 50 28.881 15.127 14.189 1.00 24.45 C ATOM 750 O VAL A 50 30.021 15.546 14.013 1.00 24.68 O ATOM 751 CB VAL A 50 27.785 15.456 16.402 1.00 26.58 C ATOM 752 CG1 VAL A 50 29.198 15.322 16.972 1.00 27.23 C ATOM 753 CG2 VAL A 50 26.976 16.427 17.242 1.00 25.96 C ATOM 754 HA VAL A 50 28.148 16.998 14.903 1.00 0.00 H ATOM 755 HB VAL A 50 27.307 14.477 16.424 1.00 0.00 H ATOM 756 HG11 VAL A 50 29.763 14.607 16.374 1.00 0.00 H ATOM 757 HG12 VAL A 50 29.693 16.293 16.944 1.00 0.00 H ATOM 758 HG13 VAL A 50 29.141 14.971 18.002 1.00 0.00 H ATOM 759 HG21 VAL A 50 27.446 17.410 17.212 1.00 0.00 H ATOM 760 HG22 VAL A 50 25.964 16.494 16.844 1.00 0.00 H ATOM 761 HG23 VAL A 50 26.940 16.072 18.272 1.00 0.00 H ATOM 762 H VAL A 50 25.722 15.503 14.846 1.00 0.00 H ATOM 763 N ALA A 51 28.484 13.944 13.755 1.00 24.94 N ATOM 764 CA ALA A 51 29.379 13.059 13.036 1.00 26.35 C ATOM 765 C ALA A 51 29.848 13.624 11.697 1.00 29.55 C ATOM 766 O ALA A 51 31.031 13.538 11.356 1.00 30.40 O ATOM 767 CB ALA A 51 28.690 11.723 12.813 1.00 28.20 C ATOM 768 HA ALA A 51 30.271 12.941 13.652 1.00 0.00 H ATOM 769 HB1 ALA A 51 28.435 11.282 13.777 1.00 0.00 H ATOM 770 HB2 ALA A 51 27.782 11.877 12.231 1.00 0.00 H ATOM 771 HB3 ALA A 51 29.361 11.055 12.272 1.00 0.00 H ATOM 772 H ALA A 51 27.505 13.640 13.934 1.00 0.00 H ATOM 773 N PHE A 52 28.919 14.207 10.944 1.00 28.62 N ATOM 774 CA PHE A 52 29.231 14.728 9.618 1.00 28.77 C ATOM 775 C PHE A 52 29.508 16.213 9.479 1.00 28.11 C ATOM 776 O PHE A 52 29.961 16.655 8.425 1.00 26.51 O ATOM 777 CB PHE A 52 28.121 14.339 8.640 1.00 24.45 C ATOM 778 CG PHE A 52 27.992 12.863 8.439 1.00 28.12 C ATOM 779 CD1 PHE A 52 27.171 12.102 9.266 1.00 26.22 C ATOM 780 CD2 PHE A 52 28.722 12.219 7.444 1.00 27.68 C ATOM 781 CE1 PHE A 52 27.080 10.718 9.106 1.00 29.11 C ATOM 782 CE2 PHE A 52 28.639 10.835 7.278 1.00 27.91 C ATOM 783 CZ PHE A 52 27.816 10.085 8.111 1.00 29.35 C ATOM 784 HA PHE A 52 30.190 14.262 9.392 1.00 0.00 H ATOM 785 HB2 PHE A 52 27.174 14.719 9.024 1.00 0.00 H ATOM 786 HB3 PHE A 52 28.333 14.801 7.676 1.00 0.00 H ATOM 787 HD2 PHE A 52 29.366 12.802 6.786 1.00 0.00 H ATOM 788 HE2 PHE A 52 29.218 10.343 6.497 1.00 0.00 H ATOM 789 HZ PHE A 52 27.748 9.005 7.984 1.00 0.00 H ATOM 790 HE1 PHE A 52 26.433 10.134 9.761 1.00 0.00 H ATOM 791 HD1 PHE A 52 26.592 12.593 10.048 1.00 0.00 H ATOM 792 H PHE A 52 27.949 14.293 11.309 1.00 0.00 H ATOM 793 N LYS A 53 29.236 16.985 10.522 1.00 28.00 N ATOM 794 CA LYS A 53 29.463 18.428 10.468 1.00 29.60 C ATOM 795 C LYS A 53 28.643 19.029 9.328 1.00 29.21 C ATOM 796 O LYS A 53 29.107 19.925 8.619 1.00 30.35 O ATOM 797 CB LYS A 53 30.951 18.733 10.235 1.00 34.58 C ATOM 798 CG LYS A 53 31.912 18.133 11.258 1.00 38.66 C ATOM 799 CD LYS A 53 31.793 18.812 12.612 1.00 43.57 C ATOM 800 CE LYS A 53 32.916 18.381 13.548 1.00 45.18 C ATOM 801 NZ LYS A 53 32.832 19.066 14.867 1.00 44.59 N ATOM 802 HA LYS A 53 29.158 18.865 11.419 1.00 0.00 H ATOM 803 HB2 LYS A 53 31.223 18.348 9.252 1.00 0.00 H ATOM 804 HB3 LYS A 53 31.078 19.815 10.248 1.00 0.00 H ATOM 805 HG2 LYS A 53 31.687 17.073 11.374 1.00 0.00 H ATOM 806 HG3 LYS A 53 32.933 18.249 10.894 1.00 0.00 H ATOM 807 HD2 LYS A 53 31.841 19.892 12.473 1.00 0.00 H ATOM 808 HD3 LYS A 53 30.835 18.546 13.060 1.00 0.00 H ATOM 809 HE2 LYS A 53 33.873 18.622 13.085 1.00 0.00 H ATOM 810 HE3 LYS A 53 32.851 17.304 13.705 1.00 0.00 H ATOM 811 HZ1 LYS A 53 32.900 20.094 14.727 1.00 0.00 H ATOM 812 HZ2 LYS A 53 31.924 18.836 15.319 1.00 0.00 H ATOM 813 HZ3 LYS A 53 33.614 18.745 15.473 1.00 0.00 H ATOM 814 H LYS A 53 28.856 16.558 11.391 1.00 0.00 H ATOM 815 N LEU A 54 27.431 18.517 9.142 1.00 23.92 N ATOM 816 CA LEU A 54 26.538 19.012 8.104 1.00 23.25 C ATOM 817 C LEU A 54 25.182 19.290 8.745 1.00 22.78 C ATOM 818 O LEU A 54 24.870 18.769 9.810 1.00 21.65 O ATOM 819 CB LEU A 54 26.383 17.984 6.974 1.00 22.83 C ATOM 820 CG LEU A 54 27.639 17.588 6.187 1.00 25.68 C ATOM 821 CD1 LEU A 54 27.234 16.641 5.053 1.00 25.14 C ATOM 822 CD2 LEU A 54 28.326 18.819 5.614 1.00 24.57 C ATOM 823 HA LEU A 54 26.952 19.921 7.668 1.00 0.00 H ATOM 824 HB2 LEU A 54 25.976 17.074 7.416 1.00 0.00 H ATOM 825 HB3 LEU A 54 25.667 18.391 6.260 1.00 0.00 H ATOM 826 HG LEU A 54 28.340 17.090 6.857 1.00 0.00 H ATOM 827 HD21 LEU A 54 27.640 19.338 4.945 1.00 0.00 H ATOM 828 HD22 LEU A 54 28.615 19.484 6.428 1.00 0.00 H ATOM 829 HD23 LEU A 54 29.214 18.513 5.060 1.00 0.00 H ATOM 830 HD11 LEU A 54 26.766 15.751 5.474 1.00 0.00 H ATOM 831 HD12 LEU A 54 26.529 17.147 4.394 1.00 0.00 H ATOM 832 HD13 LEU A 54 28.120 16.354 4.487 1.00 0.00 H ATOM 833 H LEU A 54 27.111 17.740 9.755 1.00 0.00 H ATOM 834 N CYS A 55 24.374 20.104 8.085 1.00 21.88 N ATOM 835 CA CYS A 55 23.077 20.474 8.619 1.00 21.52 C ATOM 836 C CYS A 55 21.914 19.713 7.993 1.00 22.18 C ATOM 837 O CYS A 55 21.920 19.421 6.796 1.00 21.25 O ATOM 838 CB CYS A 55 22.889 21.989 8.461 1.00 24.90 C ATOM 839 SG CYS A 55 23.813 22.961 9.709 1.00 26.75 S ATOM 840 HA CYS A 55 23.067 20.196 9.673 1.00 0.00 H ATOM 841 HB2 CYS A 55 21.828 22.219 8.557 1.00 0.00 H ATOM 842 HB3 CYS A 55 23.234 22.280 7.469 1.00 0.00 H ATOM 843 H CYS A 55 24.675 20.486 7.166 1.00 0.00 H ATOM 844 N LEU A 56 20.929 19.379 8.824 1.00 19.04 N ATOM 845 CA LEU A 56 19.738 18.674 8.373 1.00 21.28 C ATOM 846 C LEU A 56 18.963 19.587 7.439 1.00 21.66 C ATOM 847 O LEU A 56 18.718 20.743 7.762 1.00 22.88 O ATOM 848 CB LEU A 56 18.853 18.294 9.564 1.00 18.67 C ATOM 849 CG LEU A 56 19.310 17.131 10.448 1.00 19.96 C ATOM 850 CD1 LEU A 56 18.513 17.145 11.756 1.00 16.48 C ATOM 851 CD2 LEU A 56 19.103 15.809 9.705 1.00 15.85 C ATOM 852 HA LEU A 56 20.033 17.760 7.857 1.00 0.00 H ATOM 853 HB2 LEU A 56 18.769 19.174 10.201 1.00 0.00 H ATOM 854 HB3 LEU A 56 17.870 18.037 9.170 1.00 0.00 H ATOM 855 HG LEU A 56 20.370 17.236 10.680 1.00 0.00 H ATOM 856 HD21 LEU A 56 18.046 15.690 9.466 1.00 0.00 H ATOM 857 HD22 LEU A 56 19.686 15.816 8.784 1.00 0.00 H ATOM 858 HD23 LEU A 56 19.429 14.983 10.337 1.00 0.00 H ATOM 859 HD11 LEU A 56 18.685 18.088 12.275 1.00 0.00 H ATOM 860 HD12 LEU A 56 17.451 17.040 11.534 1.00 0.00 H ATOM 861 HD13 LEU A 56 18.837 16.317 12.387 1.00 0.00 H ATOM 862 H LEU A 56 21.013 19.630 9.830 1.00 0.00 H ATOM 863 N GLY A 57 18.582 19.064 6.278 1.00 23.20 N ATOM 864 CA GLY A 57 17.841 19.873 5.331 1.00 21.72 C ATOM 865 C GLY A 57 17.100 19.054 4.294 1.00 21.80 C ATOM 866 O GLY A 57 17.151 17.821 4.306 1.00 18.95 O ATOM 867 HA3 GLY A 57 18.541 20.532 4.817 1.00 0.00 H ATOM 868 HA2 GLY A 57 17.116 20.473 5.881 1.00 0.00 H ATOM 869 H GLY A 57 18.815 18.077 6.050 1.00 0.00 H ATOM 870 N VAL A 58 16.415 19.747 3.390 1.00 23.19 N ATOM 871 CA VAL A 58 15.655 19.091 2.336 1.00 26.04 C ATOM 872 C VAL A 58 15.919 19.743 0.978 1.00 29.88 C ATOM 873 O VAL A 58 16.389 20.879 0.907 1.00 29.72 O ATOM 874 CB VAL A 58 14.140 19.146 2.630 1.00 23.66 C ATOM 875 CG1 VAL A 58 13.823 18.334 3.882 1.00 22.36 C ATOM 876 CG2 VAL A 58 13.697 20.588 2.791 1.00 25.69 C ATOM 877 HA VAL A 58 15.981 18.051 2.306 1.00 0.00 H ATOM 878 HB VAL A 58 13.593 18.711 1.793 1.00 0.00 H ATOM 879 HG11 VAL A 58 14.122 17.297 3.727 1.00 0.00 H ATOM 880 HG12 VAL A 58 14.369 18.748 4.730 1.00 0.00 H ATOM 881 HG13 VAL A 58 12.752 18.379 4.081 1.00 0.00 H ATOM 882 HG21 VAL A 58 14.241 21.044 3.618 1.00 0.00 H ATOM 883 HG22 VAL A 58 13.906 21.136 1.872 1.00 0.00 H ATOM 884 HG23 VAL A 58 12.627 20.617 2.998 1.00 0.00 H ATOM 885 H VAL A 58 16.422 20.786 3.437 1.00 0.00 H ATOM 886 N PRO A 59 15.628 19.019 -0.120 1.00 29.61 N ATOM 887 CA PRO A 59 15.823 19.510 -1.491 1.00 29.52 C ATOM 888 C PRO A 59 14.827 20.616 -1.850 1.00 32.20 C ATOM 889 O PRO A 59 15.135 21.523 -2.637 1.00 29.84 O ATOM 890 CB PRO A 59 15.627 18.252 -2.334 1.00 26.53 C ATOM 891 CG PRO A 59 14.622 17.478 -1.543 1.00 25.97 C ATOM 892 CD PRO A 59 15.135 17.630 -0.130 1.00 29.20 C ATOM 893 HA PRO A 59 16.796 19.975 -1.647 1.00 0.00 H ATOM 894 HD3 PRO A 59 14.335 17.490 0.597 1.00 0.00 H ATOM 895 HD2 PRO A 59 15.940 16.924 0.076 1.00 0.00 H ATOM 896 HG3 PRO A 59 14.603 16.431 -1.846 1.00 0.00 H ATOM 897 HG2 PRO A 59 13.624 17.904 -1.649 1.00 0.00 H ATOM 898 HB2 PRO A 59 15.243 18.498 -3.324 1.00 0.00 H ATOM 899 HB3 PRO A 59 16.560 17.697 -2.435 1.00 0.00 H ATOM 900 N SER A 60 13.634 20.532 -1.267 1.00 30.56 N ATOM 901 CA SER A 60 12.589 21.522 -1.497 1.00 31.34 C ATOM 902 C SER A 60 11.552 21.352 -0.405 1.00 31.79 C ATOM 903 O SER A 60 11.495 20.304 0.238 1.00 30.73 O ATOM 904 CB SER A 60 11.936 21.318 -2.869 1.00 28.55 C ATOM 905 OG SER A 60 11.192 20.109 -2.926 1.00 31.93 O ATOM 906 HA SER A 60 13.016 22.525 -1.479 1.00 0.00 H ATOM 907 HB2 SER A 60 12.716 21.289 -3.630 1.00 0.00 H ATOM 908 HB3 SER A 60 11.266 22.154 -3.069 1.00 0.00 H ATOM 909 HG SER A 60 10.477 20.130 -2.241 1.00 0.00 H ATOM 910 H SER A 60 13.441 19.735 -0.627 1.00 0.00 H ATOM 911 N LYS A 61 10.741 22.380 -0.178 1.00 30.06 N ATOM 912 CA LYS A 61 9.709 22.289 0.842 1.00 32.54 C ATOM 913 C LYS A 61 8.518 21.590 0.199 1.00 32.56 C ATOM 914 O LYS A 61 7.483 22.207 -0.079 1.00 30.90 O ATOM 915 CB LYS A 61 9.328 23.683 1.335 1.00 32.57 C ATOM 916 CG LYS A 61 10.506 24.456 1.912 1.00 35.84 C ATOM 917 CD LYS A 61 10.106 25.868 2.292 1.00 38.90 C ATOM 918 CE LYS A 61 11.323 26.698 2.661 1.00 42.27 C ATOM 919 NZ LYS A 61 10.953 28.107 2.968 1.00 44.00 N ATOM 920 HA LYS A 61 10.057 21.729 1.710 1.00 0.00 H ATOM 921 HB2 LYS A 61 8.919 24.248 0.497 1.00 0.00 H ATOM 922 HB3 LYS A 61 8.567 23.582 2.109 1.00 0.00 H ATOM 923 HG2 LYS A 61 10.870 23.939 2.800 1.00 0.00 H ATOM 924 HG3 LYS A 61 11.301 24.500 1.167 1.00 0.00 H ATOM 925 HD2 LYS A 61 9.599 26.335 1.448 1.00 0.00 H ATOM 926 HD3 LYS A 61 9.429 25.829 3.145 1.00 0.00 H ATOM 927 HE2 LYS A 61 12.024 26.690 1.826 1.00 0.00 H ATOM 928 HE3 LYS A 61 11.799 26.258 3.537 1.00 0.00 H ATOM 929 HZ1 LYS A 61 10.503 28.536 2.134 1.00 0.00 H ATOM 930 HZ2 LYS A 61 10.289 28.123 3.768 1.00 0.00 H ATOM 931 HZ3 LYS A 61 11.809 28.643 3.215 1.00 0.00 H ATOM 932 H LYS A 61 10.845 23.254 -0.733 1.00 0.00 H ATOM 933 N THR A 62 8.689 20.289 -0.023 1.00 30.10 N ATOM 934 CA THR A 62 7.685 19.450 -0.659 1.00 31.49 C ATOM 935 C THR A 62 7.344 18.203 0.162 1.00 30.23 C ATOM 936 O THR A 62 8.220 17.586 0.763 1.00 29.63 O ATOM 937 CB THR A 62 8.189 18.999 -2.045 1.00 33.03 C ATOM 938 OG1 THR A 62 8.412 20.153 -2.867 1.00 41.04 O ATOM 939 CG2 THR A 62 7.181 18.079 -2.722 1.00 37.93 C ATOM 940 HA THR A 62 6.781 20.053 -0.744 1.00 0.00 H ATOM 941 HB THR A 62 9.120 18.448 -1.912 1.00 0.00 H ATOM 942 HG1 THR A 62 9.090 20.735 -2.440 1.00 0.00 H ATOM 943 HG23 THR A 62 7.013 17.203 -2.096 1.00 0.00 H ATOM 944 HG21 THR A 62 6.241 18.613 -2.862 1.00 0.00 H ATOM 945 HG22 THR A 62 7.570 17.766 -3.691 1.00 0.00 H ATOM 946 H THR A 62 9.584 19.851 0.273 1.00 0.00 H ATOM 947 N ASP A 63 6.066 17.836 0.172 1.00 26.05 N ATOM 948 CA ASP A 63 5.589 16.656 0.888 1.00 27.15 C ATOM 949 C ASP A 63 6.392 15.428 0.430 1.00 24.78 C ATOM 950 O ASP A 63 6.576 15.195 -0.764 1.00 25.08 O ATOM 951 CB ASP A 63 4.088 16.464 0.609 1.00 28.51 C ATOM 952 CG ASP A 63 3.416 15.487 1.571 1.00 34.41 C ATOM 953 OD1 ASP A 63 3.844 15.386 2.743 1.00 34.14 O ATOM 954 OD2 ASP A 63 2.438 14.831 1.157 1.00 34.77 O ATOM 955 HA ASP A 63 5.729 16.784 1.961 1.00 0.00 H ATOM 956 HB2 ASP A 63 3.593 17.431 0.696 1.00 0.00 H ATOM 957 HB3 ASP A 63 3.970 16.087 -0.407 1.00 0.00 H ATOM 958 H ASP A 63 5.378 18.413 -0.352 1.00 0.00 H ATOM 959 N TRP A 64 6.897 14.671 1.397 1.00 26.45 N ATOM 960 CA TRP A 64 7.681 13.467 1.140 1.00 24.03 C ATOM 961 C TRP A 64 9.082 13.746 0.600 1.00 25.35 C ATOM 962 O TRP A 64 9.704 12.881 -0.012 1.00 23.08 O ATOM 963 CB TRP A 64 6.940 12.531 0.183 1.00 23.79 C ATOM 964 CG TRP A 64 7.225 11.089 0.445 1.00 23.64 C ATOM 965 CD1 TRP A 64 7.706 10.170 -0.446 1.00 23.36 C ATOM 966 CD2 TRP A 64 7.050 10.391 1.686 1.00 21.62 C ATOM 967 NE1 TRP A 64 7.843 8.946 0.166 1.00 21.49 N ATOM 968 CE2 TRP A 64 7.444 9.053 1.472 1.00 21.17 C ATOM 969 CE3 TRP A 64 6.597 10.768 2.960 1.00 21.47 C ATOM 970 CZ2 TRP A 64 7.403 8.086 2.486 1.00 21.58 C ATOM 971 CZ3 TRP A 64 6.558 9.810 3.967 1.00 22.75 C ATOM 972 CH2 TRP A 64 6.960 8.482 3.722 1.00 26.26 C ATOM 973 HA TRP A 64 7.807 12.988 2.111 1.00 0.00 H ATOM 974 HB2 TRP A 64 5.869 12.699 0.291 1.00 0.00 H ATOM 975 HB3 TRP A 64 7.242 12.766 -0.838 1.00 0.00 H ATOM 976 HE1 TRP A 64 8.193 8.079 -0.289 1.00 0.00 H ATOM 977 HD1 TRP A 64 7.946 10.377 -1.489 1.00 0.00 H ATOM 978 HZ2 TRP A 64 7.712 7.058 2.299 1.00 0.00 H ATOM 979 HH2 TRP A 64 6.918 7.754 4.532 1.00 0.00 H ATOM 980 HZ3 TRP A 64 6.211 10.091 4.961 1.00 0.00 H ATOM 981 HE3 TRP A 64 6.282 11.793 3.156 1.00 0.00 H ATOM 982 H TRP A 64 6.726 14.949 2.384 1.00 0.00 H ATOM 983 N ALA A 65 9.569 14.963 0.807 1.00 24.15 N ATOM 984 CA ALA A 65 10.920 15.310 0.384 1.00 20.88 C ATOM 985 C ALA A 65 11.803 14.643 1.431 1.00 20.82 C ATOM 986 O ALA A 65 11.455 14.628 2.612 1.00 17.37 O ATOM 987 CB ALA A 65 11.120 16.811 0.424 1.00 22.58 C ATOM 988 HA ALA A 65 11.138 14.990 -0.635 1.00 0.00 H ATOM 989 HB1 ALA A 65 10.405 17.289 -0.245 1.00 0.00 H ATOM 990 HB2 ALA A 65 10.964 17.170 1.441 1.00 0.00 H ATOM 991 HB3 ALA A 65 12.135 17.050 0.105 1.00 0.00 H ATOM 992 H ALA A 65 8.979 15.679 1.277 1.00 0.00 H ATOM 993 N SER A 66 12.938 14.094 1.014 1.00 19.73 N ATOM 994 CA SER A 66 13.813 13.428 1.967 1.00 20.93 C ATOM 995 C SER A 66 14.608 14.441 2.780 1.00 19.11 C ATOM 996 O SER A 66 15.023 15.483 2.272 1.00 20.21 O ATOM 997 CB SER A 66 14.772 12.469 1.248 1.00 20.93 C ATOM 998 OG SER A 66 14.076 11.351 0.744 1.00 26.51 O ATOM 999 HA SER A 66 13.184 12.853 2.647 1.00 0.00 H ATOM 1000 HB2 SER A 66 15.533 12.130 1.951 1.00 0.00 H ATOM 1001 HB3 SER A 66 15.251 12.995 0.422 1.00 0.00 H ATOM 1002 HG SER A 66 14.712 10.747 0.285 1.00 0.00 H ATOM 1003 H SER A 66 13.201 14.140 0.009 1.00 0.00 H ATOM 1004 N VAL A 67 14.799 14.130 4.052 1.00 18.64 N ATOM 1005 CA VAL A 67 15.560 14.995 4.938 1.00 16.36 C ATOM 1006 C VAL A 67 16.937 14.369 5.091 1.00 19.66 C ATOM 1007 O VAL A 67 17.078 13.300 5.693 1.00 17.01 O ATOM 1008 CB VAL A 67 14.898 15.102 6.333 1.00 18.57 C ATOM 1009 CG1 VAL A 67 15.684 16.075 7.205 1.00 16.85 C ATOM 1010 CG2 VAL A 67 13.443 15.552 6.195 1.00 11.12 C ATOM 1011 HA VAL A 67 15.609 16.000 4.518 1.00 0.00 H ATOM 1012 HB VAL A 67 14.907 14.122 6.810 1.00 0.00 H ATOM 1013 HG11 VAL A 67 16.707 15.715 7.318 1.00 0.00 H ATOM 1014 HG12 VAL A 67 15.693 17.058 6.733 1.00 0.00 H ATOM 1015 HG13 VAL A 67 15.212 16.145 8.185 1.00 0.00 H ATOM 1016 HG21 VAL A 67 13.410 16.527 5.708 1.00 0.00 H ATOM 1017 HG22 VAL A 67 12.895 14.826 5.594 1.00 0.00 H ATOM 1018 HG23 VAL A 67 12.991 15.623 7.184 1.00 0.00 H ATOM 1019 H VAL A 67 14.396 13.247 4.426 1.00 0.00 H ATOM 1020 N THR A 68 17.946 15.017 4.524 1.00 19.29 N ATOM 1021 CA THR A 68 19.307 14.511 4.622 1.00 22.78 C ATOM 1022 C THR A 68 20.255 15.619 5.098 1.00 22.18 C ATOM 1023 O THR A 68 19.824 16.536 5.791 1.00 27.80 O ATOM 1024 CB THR A 68 19.792 13.920 3.270 1.00 22.85 C ATOM 1025 OG1 THR A 68 19.822 14.947 2.280 1.00 19.13 O ATOM 1026 CG2 THR A 68 18.846 12.808 2.802 1.00 22.40 C ATOM 1027 HA THR A 68 19.313 13.705 5.356 1.00 0.00 H ATOM 1028 HB THR A 68 20.791 13.508 3.412 1.00 0.00 H ATOM 1029 HG1 THR A 68 18.913 15.322 2.168 1.00 0.00 H ATOM 1030 HG23 THR A 68 18.816 12.018 3.553 1.00 0.00 H ATOM 1031 HG21 THR A 68 17.845 13.218 2.664 1.00 0.00 H ATOM 1032 HG22 THR A 68 19.206 12.400 1.857 1.00 0.00 H ATOM 1033 H THR A 68 17.762 15.898 4.003 1.00 0.00 H ATOM 1034 N LEU A 69 21.531 15.541 4.728 1.00 20.67 N ATOM 1035 CA LEU A 69 22.513 16.525 5.180 1.00 23.28 C ATOM 1036 C LEU A 69 23.094 17.432 4.091 1.00 23.77 C ATOM 1037 O LEU A 69 23.444 16.980 3.005 1.00 24.18 O ATOM 1038 CB LEU A 69 23.654 15.799 5.910 1.00 20.94 C ATOM 1039 CG LEU A 69 23.233 14.886 7.073 1.00 20.85 C ATOM 1040 CD1 LEU A 69 24.428 14.106 7.584 1.00 23.78 C ATOM 1041 CD2 LEU A 69 22.627 15.714 8.194 1.00 19.78 C ATOM 1042 HA LEU A 69 21.967 17.197 5.842 1.00 0.00 H ATOM 1043 HB2 LEU A 69 24.183 15.187 5.179 1.00 0.00 H ATOM 1044 HB3 LEU A 69 24.331 16.555 6.307 1.00 0.00 H ATOM 1045 HG LEU A 69 22.484 14.181 6.713 1.00 0.00 H ATOM 1046 HD21 LEU A 69 23.364 16.433 8.552 1.00 0.00 H ATOM 1047 HD22 LEU A 69 21.751 16.244 7.820 1.00 0.00 H ATOM 1048 HD23 LEU A 69 22.333 15.056 9.012 1.00 0.00 H ATOM 1049 HD11 LEU A 69 24.833 13.494 6.778 1.00 0.00 H ATOM 1050 HD12 LEU A 69 25.192 14.801 7.933 1.00 0.00 H ATOM 1051 HD13 LEU A 69 24.116 13.464 8.407 1.00 0.00 H ATOM 1052 H LEU A 69 21.835 14.765 4.106 1.00 0.00 H ATOM 1053 N TYR A 70 23.200 18.718 4.400 1.00 23.14 N ATOM 1054 CA TYR A 70 23.745 19.701 3.464 1.00 23.73 C ATOM 1055 C TYR A 70 24.764 20.577 4.167 1.00 25.82 C ATOM 1056 O TYR A 70 24.750 20.694 5.396 1.00 23.92 O ATOM 1057 CB TYR A 70 22.638 20.602 2.909 1.00 23.97 C ATOM 1058 CG TYR A 70 21.584 19.872 2.114 1.00 27.34 C ATOM 1059 CD1 TYR A 70 20.569 19.166 2.754 1.00 28.36 C ATOM 1060 CD2 TYR A 70 21.627 19.853 0.719 1.00 26.67 C ATOM 1061 CE1 TYR A 70 19.620 18.452 2.027 1.00 30.03 C ATOM 1062 CE2 TYR A 70 20.688 19.144 -0.017 1.00 28.55 C ATOM 1063 CZ TYR A 70 19.688 18.443 0.644 1.00 28.01 C ATOM 1064 OH TYR A 70 18.772 17.713 -0.076 1.00 31.63 O ATOM 1065 HA TYR A 70 24.213 19.155 2.645 1.00 0.00 H ATOM 1066 HB3 TYR A 70 23.098 21.349 2.262 1.00 0.00 H ATOM 1067 HB2 TYR A 70 22.150 21.100 3.747 1.00 0.00 H ATOM 1068 HD2 TYR A 70 22.411 20.404 0.199 1.00 0.00 H ATOM 1069 HE2 TYR A 70 20.735 19.137 -1.106 1.00 0.00 H ATOM 1070 HE1 TYR A 70 18.830 17.905 2.542 1.00 0.00 H ATOM 1071 HD1 TYR A 70 20.516 19.172 3.843 1.00 0.00 H ATOM 1072 HH TYR A 70 18.135 17.280 0.546 1.00 0.00 H ATOM 1073 H TYR A 70 22.885 19.037 5.338 1.00 0.00 H ATOM 1074 N ALA A 71 25.655 21.190 3.393 1.00 26.79 N ATOM 1075 CA ALA A 71 26.652 22.080 3.975 1.00 26.69 C ATOM 1076 C ALA A 71 25.865 23.173 4.695 1.00 27.77 C ATOM 1077 O ALA A 71 24.971 23.795 4.113 1.00 26.45 O ATOM 1078 CB ALA A 71 27.529 22.686 2.876 1.00 31.84 C ATOM 1079 HA ALA A 71 27.315 21.550 4.658 1.00 0.00 H ATOM 1080 HB1 ALA A 71 28.036 21.887 2.336 1.00 0.00 H ATOM 1081 HB2 ALA A 71 26.904 23.253 2.186 1.00 0.00 H ATOM 1082 HB3 ALA A 71 28.268 23.348 3.327 1.00 0.00 H ATOM 1083 H ALA A 71 25.640 21.033 2.365 1.00 0.00 H ATOM 1084 N CYS A 72 26.174 23.395 5.965 1.00 27.57 N ATOM 1085 CA CYS A 72 25.461 24.410 6.719 1.00 29.89 C ATOM 1086 C CYS A 72 25.591 25.774 6.044 1.00 31.58 C ATOM 1087 O CYS A 72 26.693 26.220 5.714 1.00 31.30 O ATOM 1088 CB CYS A 72 25.978 24.460 8.157 1.00 29.08 C ATOM 1089 SG CYS A 72 25.750 22.908 9.096 1.00 29.15 S ATOM 1090 HA CYS A 72 24.403 24.148 6.743 1.00 0.00 H ATOM 1091 HB2 CYS A 72 25.451 25.257 8.682 1.00 0.00 H ATOM 1092 HB3 CYS A 72 27.043 24.688 8.129 1.00 0.00 H ATOM 1093 H CYS A 72 26.927 22.842 6.421 1.00 0.00 H ATOM 1094 N ASP A 73 24.448 26.420 5.838 1.00 34.58 N ATOM 1095 CA ASP A 73 24.372 27.713 5.179 1.00 35.42 C ATOM 1096 C ASP A 73 23.230 28.502 5.815 1.00 37.55 C ATOM 1097 O ASP A 73 22.058 28.196 5.589 1.00 34.49 O ATOM 1098 CB ASP A 73 24.110 27.496 3.685 1.00 38.83 C ATOM 1099 CG ASP A 73 23.777 28.782 2.944 1.00 39.75 C ATOM 1100 OD1 ASP A 73 23.353 28.689 1.771 1.00 41.37 O ATOM 1101 OD2 ASP A 73 23.934 29.879 3.523 1.00 40.54 O ATOM 1102 HA ASP A 73 25.304 28.267 5.292 1.00 0.00 H ATOM 1103 HB2 ASP A 73 25.002 27.058 3.236 1.00 0.00 H ATOM 1104 HB3 ASP A 73 23.273 26.806 3.576 1.00 0.00 H ATOM 1105 H ASP A 73 23.565 25.979 6.164 1.00 0.00 H ATOM 1106 N SER A 74 23.579 29.519 6.603 1.00 39.37 N ATOM 1107 CA SER A 74 22.592 30.345 7.295 1.00 40.53 C ATOM 1108 C SER A 74 21.638 31.098 6.377 1.00 40.71 C ATOM 1109 O SER A 74 20.617 31.610 6.833 1.00 40.96 O ATOM 1110 CB SER A 74 23.295 31.345 8.220 1.00 41.23 C ATOM 1111 OG SER A 74 24.087 32.263 7.483 1.00 43.01 O ATOM 1112 HA SER A 74 21.981 29.645 7.864 1.00 0.00 H ATOM 1113 HB2 SER A 74 23.936 30.799 8.912 1.00 0.00 H ATOM 1114 HB3 SER A 74 22.543 31.897 8.783 1.00 0.00 H ATOM 1115 HG SER A 74 24.776 31.768 6.973 1.00 0.00 H ATOM 1116 H SER A 74 24.589 29.732 6.730 1.00 0.00 H ATOM 1117 N LYS A 75 21.959 31.169 5.090 1.00 43.41 N ATOM 1118 CA LYS A 75 21.098 31.875 4.144 1.00 45.27 C ATOM 1119 C LYS A 75 20.040 30.963 3.519 1.00 45.67 C ATOM 1120 O LYS A 75 19.052 31.438 2.962 1.00 47.80 O ATOM 1121 CB LYS A 75 21.936 32.517 3.031 1.00 49.11 C ATOM 1122 CG LYS A 75 22.860 33.648 3.485 1.00 49.55 C ATOM 1123 CD LYS A 75 24.020 33.142 4.329 1.00 50.54 C ATOM 1124 CE LYS A 75 24.952 34.279 4.716 1.00 51.03 C ATOM 1125 NZ LYS A 75 26.120 33.797 5.502 1.00 51.45 N ATOM 1126 HA LYS A 75 20.579 32.647 4.712 1.00 0.00 H ATOM 1127 HB2 LYS A 75 22.551 31.739 2.579 1.00 0.00 H ATOM 1128 HB3 LYS A 75 21.253 32.919 2.282 1.00 0.00 H ATOM 1129 HG2 LYS A 75 23.260 34.150 2.604 1.00 0.00 H ATOM 1130 HG3 LYS A 75 22.281 34.359 4.075 1.00 0.00 H ATOM 1131 HD2 LYS A 75 23.627 32.680 5.234 1.00 0.00 H ATOM 1132 HD3 LYS A 75 24.580 32.401 3.758 1.00 0.00 H ATOM 1133 HE2 LYS A 75 24.397 35.001 5.315 1.00 0.00 H ATOM 1134 HE3 LYS A 75 25.313 34.763 3.809 1.00 0.00 H ATOM 1135 HZ1 LYS A 75 25.785 33.339 6.374 1.00 0.00 H ATOM 1136 HZ2 LYS A 75 26.659 33.112 4.935 1.00 0.00 H ATOM 1137 HZ3 LYS A 75 26.729 34.604 5.745 1.00 0.00 H ATOM 1138 H LYS A 75 22.833 30.717 4.752 1.00 0.00 H ATOM 1139 N SER A 76 20.246 29.654 3.623 1.00 44.58 N ATOM 1140 CA SER A 76 19.317 28.680 3.051 1.00 43.05 C ATOM 1141 C SER A 76 18.066 28.424 3.887 1.00 41.89 C ATOM 1142 O SER A 76 18.141 28.236 5.099 1.00 40.81 O ATOM 1143 CB SER A 76 20.035 27.351 2.823 1.00 41.99 C ATOM 1144 OG SER A 76 19.126 26.369 2.359 1.00 43.83 O ATOM 1145 HA SER A 76 18.978 29.121 2.114 1.00 0.00 H ATOM 1146 HB2 SER A 76 20.477 27.016 3.761 1.00 0.00 H ATOM 1147 HB3 SER A 76 20.822 27.491 2.082 1.00 0.00 H ATOM 1148 HG SER A 76 19.608 25.516 2.217 1.00 0.00 H ATOM 1149 H SER A 76 21.091 29.313 4.125 1.00 0.00 H ATOM 1150 N GLU A 77 16.915 28.397 3.223 1.00 41.51 N ATOM 1151 CA GLU A 77 15.647 28.150 3.898 1.00 42.16 C ATOM 1152 C GLU A 77 15.259 26.678 3.916 1.00 38.87 C ATOM 1153 O GLU A 77 14.348 26.277 4.639 1.00 39.63 O ATOM 1154 CB GLU A 77 14.535 28.963 3.244 1.00 45.87 C ATOM 1155 CG GLU A 77 14.200 30.221 4.017 1.00 54.09 C ATOM 1156 CD GLU A 77 13.183 31.099 3.322 1.00 58.39 C ATOM 1157 OE1 GLU A 77 12.078 30.601 3.007 1.00 59.91 O ATOM 1158 OE2 GLU A 77 13.491 32.290 3.095 1.00 59.25 O ATOM 1159 HA GLU A 77 15.781 28.461 4.934 1.00 0.00 H ATOM 1160 HB2 GLU A 77 14.852 29.244 2.240 1.00 0.00 H ATOM 1161 HB3 GLU A 77 13.640 28.343 3.181 1.00 0.00 H ATOM 1162 HG2 GLU A 77 13.802 29.933 4.990 1.00 0.00 H ATOM 1163 HG3 GLU A 77 15.116 30.796 4.156 1.00 0.00 H ATOM 1164 H GLU A 77 16.919 28.556 2.195 1.00 0.00 H ATOM 1165 N TYR A 78 15.960 25.871 3.131 1.00 35.54 N ATOM 1166 CA TYR A 78 15.672 24.450 3.067 1.00 34.39 C ATOM 1167 C TYR A 78 16.326 23.677 4.207 1.00 31.82 C ATOM 1168 O TYR A 78 16.217 22.453 4.282 1.00 32.82 O ATOM 1169 CB TYR A 78 16.096 23.894 1.707 1.00 34.11 C ATOM 1170 CG TYR A 78 15.398 24.605 0.568 1.00 37.46 C ATOM 1171 CD1 TYR A 78 15.914 25.788 0.038 1.00 38.04 C ATOM 1172 CD2 TYR A 78 14.184 24.136 0.068 1.00 38.13 C ATOM 1173 CE1 TYR A 78 15.234 26.488 -0.962 1.00 41.72 C ATOM 1174 CE2 TYR A 78 13.495 24.831 -0.928 1.00 39.80 C ATOM 1175 CZ TYR A 78 14.026 26.006 -1.436 1.00 41.29 C ATOM 1176 OH TYR A 78 13.343 26.710 -2.402 1.00 44.25 O ATOM 1177 HA TYR A 78 14.596 24.321 3.183 1.00 0.00 H ATOM 1178 HB3 TYR A 78 15.848 22.833 1.666 1.00 0.00 H ATOM 1179 HB2 TYR A 78 17.173 24.019 1.594 1.00 0.00 H ATOM 1180 HD2 TYR A 78 13.765 23.210 0.462 1.00 0.00 H ATOM 1181 HE2 TYR A 78 12.545 24.451 -1.304 1.00 0.00 H ATOM 1182 HE1 TYR A 78 15.653 27.409 -1.367 1.00 0.00 H ATOM 1183 HD1 TYR A 78 16.864 26.173 0.410 1.00 0.00 H ATOM 1184 HH TYR A 78 13.220 26.138 -3.201 1.00 0.00 H ATOM 1185 H TYR A 78 16.729 26.263 2.551 1.00 0.00 H ATOM 1186 N GLN A 79 17.005 24.397 5.095 1.00 28.61 N ATOM 1187 CA GLN A 79 17.626 23.763 6.245 1.00 28.72 C ATOM 1188 C GLN A 79 17.293 24.519 7.530 1.00 26.78 C ATOM 1189 O GLN A 79 18.037 24.467 8.504 1.00 25.48 O ATOM 1190 CB GLN A 79 19.147 23.637 6.056 1.00 29.34 C ATOM 1191 CG GLN A 79 19.921 24.936 5.927 1.00 27.80 C ATOM 1192 CD GLN A 79 21.420 24.695 5.768 1.00 26.79 C ATOM 1193 OE1 GLN A 79 21.883 24.211 4.731 1.00 28.26 O ATOM 1194 NE2 GLN A 79 22.180 25.023 6.801 1.00 24.67 N ATOM 1195 HA GLN A 79 17.219 22.756 6.332 1.00 0.00 H ATOM 1196 HB2 GLN A 79 19.545 23.098 6.916 1.00 0.00 H ATOM 1197 HB3 GLN A 79 19.322 23.055 5.151 1.00 0.00 H ATOM 1198 HG2 GLN A 79 19.557 25.478 5.054 1.00 0.00 H ATOM 1199 HG3 GLN A 79 19.754 25.536 6.821 1.00 0.00 H ATOM 1200 HE22 GLN A 79 21.749 25.428 7.656 1.00 0.00 H ATOM 1201 HE21 GLN A 79 23.209 24.875 6.758 1.00 0.00 H ATOM 1202 H GLN A 79 17.092 25.425 4.965 1.00 0.00 H ATOM 1203 N LYS A 80 16.162 25.223 7.519 1.00 26.45 N ATOM 1204 CA LYS A 80 15.707 25.965 8.691 1.00 28.12 C ATOM 1205 C LYS A 80 14.517 25.226 9.313 1.00 27.48 C ATOM 1206 O LYS A 80 13.553 24.877 8.614 1.00 25.77 O ATOM 1207 CB LYS A 80 15.297 27.390 8.310 1.00 28.95 C ATOM 1208 CG LYS A 80 16.356 28.146 7.524 1.00 33.36 C ATOM 1209 CD LYS A 80 16.008 29.620 7.350 1.00 38.96 C ATOM 1210 CE LYS A 80 16.656 30.462 8.433 1.00 41.41 C ATOM 1211 NZ LYS A 80 18.146 30.328 8.396 1.00 42.36 N ATOM 1212 HA LYS A 80 16.523 26.031 9.411 1.00 0.00 H ATOM 1213 HB2 LYS A 80 14.392 27.337 7.704 1.00 0.00 H ATOM 1214 HB3 LYS A 80 15.088 27.944 9.225 1.00 0.00 H ATOM 1215 HG2 LYS A 80 17.306 28.070 8.053 1.00 0.00 H ATOM 1216 HG3 LYS A 80 16.453 27.690 6.539 1.00 0.00 H ATOM 1217 HD2 LYS A 80 16.362 29.958 6.376 1.00 0.00 H ATOM 1218 HD3 LYS A 80 14.926 29.740 7.404 1.00 0.00 H ATOM 1219 HE2 LYS A 80 16.292 30.133 9.406 1.00 0.00 H ATOM 1220 HE3 LYS A 80 16.388 31.507 8.281 1.00 0.00 H ATOM 1221 HZ1 LYS A 80 18.407 29.332 8.545 1.00 0.00 H ATOM 1222 HZ2 LYS A 80 18.498 30.645 7.470 1.00 0.00 H ATOM 1223 HZ3 LYS A 80 18.564 30.914 9.147 1.00 0.00 H ATOM 1224 H LYS A 80 15.588 25.245 6.652 1.00 0.00 H ATOM 1225 N TRP A 81 14.589 24.993 10.621 1.00 23.79 N ATOM 1226 CA TRP A 81 13.540 24.278 11.341 1.00 26.72 C ATOM 1227 C TRP A 81 12.961 25.084 12.502 1.00 30.31 C ATOM 1228 O TRP A 81 13.545 26.074 12.939 1.00 29.23 O ATOM 1229 CB TRP A 81 14.095 22.957 11.888 1.00 24.17 C ATOM 1230 CG TRP A 81 14.742 22.108 10.851 1.00 20.63 C ATOM 1231 CD1 TRP A 81 16.024 22.204 10.390 1.00 20.22 C ATOM 1232 CD2 TRP A 81 14.120 21.061 10.098 1.00 21.14 C ATOM 1233 NE1 TRP A 81 16.240 21.283 9.392 1.00 23.31 N ATOM 1234 CE2 TRP A 81 15.086 20.569 9.191 1.00 23.54 C ATOM 1235 CE3 TRP A 81 12.837 20.493 10.100 1.00 19.98 C ATOM 1236 CZ2 TRP A 81 14.808 19.530 8.286 1.00 19.69 C ATOM 1237 CZ3 TRP A 81 12.556 19.462 9.200 1.00 21.81 C ATOM 1238 CH2 TRP A 81 13.541 18.993 8.304 1.00 23.34 C ATOM 1239 HA TRP A 81 12.736 24.099 10.627 1.00 0.00 H ATOM 1240 HB2 TRP A 81 14.833 23.185 12.657 1.00 0.00 H ATOM 1241 HB3 TRP A 81 13.273 22.394 12.331 1.00 0.00 H ATOM 1242 HE1 TRP A 81 17.132 21.150 8.874 1.00 0.00 H ATOM 1243 HD1 TRP A 81 16.769 22.909 10.760 1.00 0.00 H ATOM 1244 HZ2 TRP A 81 15.568 19.163 7.596 1.00 0.00 H ATOM 1245 HH2 TRP A 81 13.293 18.188 7.612 1.00 0.00 H ATOM 1246 HZ3 TRP A 81 11.563 19.014 9.189 1.00 0.00 H ATOM 1247 HE3 TRP A 81 12.073 20.850 10.791 1.00 0.00 H ATOM 1248 H TRP A 81 15.420 25.331 11.147 1.00 0.00 H ATOM 1249 N GLU A 82 11.814 24.633 13.002 1.00 30.65 N ATOM 1250 CA GLU A 82 11.158 25.287 14.127 1.00 33.37 C ATOM 1251 C GLU A 82 10.288 24.277 14.861 1.00 32.69 C ATOM 1252 O GLU A 82 9.884 23.253 14.293 1.00 29.99 O ATOM 1253 CB GLU A 82 10.279 26.443 13.652 1.00 37.31 C ATOM 1254 CG GLU A 82 8.972 26.006 13.005 1.00 41.77 C ATOM 1255 CD GLU A 82 8.102 27.183 12.579 1.00 45.77 C ATOM 1256 OE1 GLU A 82 7.725 27.994 13.451 1.00 50.48 O ATOM 1257 OE2 GLU A 82 7.792 27.297 11.374 1.00 45.39 O ATOM 1258 HA GLU A 82 11.928 25.680 14.791 1.00 0.00 H ATOM 1259 HB2 GLU A 82 10.043 27.069 14.512 1.00 0.00 H ATOM 1260 HB3 GLU A 82 10.843 27.026 12.924 1.00 0.00 H ATOM 1261 HG2 GLU A 82 9.202 25.406 12.125 1.00 0.00 H ATOM 1262 HG3 GLU A 82 8.414 25.401 13.720 1.00 0.00 H ATOM 1263 H GLU A 82 11.374 23.791 12.579 1.00 0.00 H ATOM 1264 N CYS A 83 10.004 24.568 16.125 1.00 29.92 N ATOM 1265 CA CYS A 83 9.166 23.707 16.937 1.00 30.40 C ATOM 1266 C CYS A 83 7.710 24.169 16.894 1.00 33.20 C ATOM 1267 O CYS A 83 7.416 25.353 17.037 1.00 34.17 O ATOM 1268 CB CYS A 83 9.686 23.683 18.380 1.00 28.91 C ATOM 1269 SG CYS A 83 11.298 22.838 18.481 1.00 27.22 S ATOM 1270 HA CYS A 83 9.207 22.696 16.532 1.00 0.00 H ATOM 1271 HB2 CYS A 83 8.968 23.157 19.009 1.00 0.00 H ATOM 1272 HB3 CYS A 83 9.797 24.707 18.736 1.00 0.00 H ATOM 1273 H CYS A 83 10.393 25.437 16.544 1.00 0.00 H ATOM 1274 N LYS A 84 6.804 23.224 16.672 1.00 33.79 N ATOM 1275 CA LYS A 84 5.377 23.524 16.628 1.00 38.71 C ATOM 1276 C LYS A 84 4.857 23.316 18.049 1.00 38.90 C ATOM 1277 O LYS A 84 5.527 23.670 19.018 1.00 41.06 O ATOM 1278 CB LYS A 84 4.654 22.566 15.674 1.00 42.09 C ATOM 1279 CG LYS A 84 5.326 22.352 14.314 1.00 47.35 C ATOM 1280 CD LYS A 84 4.993 23.436 13.294 1.00 50.73 C ATOM 1281 CE LYS A 84 5.768 24.716 13.539 1.00 54.93 C ATOM 1282 NZ LYS A 84 5.576 25.692 12.426 1.00 57.40 N ATOM 1283 HA LYS A 84 5.202 24.540 16.273 1.00 0.00 H ATOM 1284 HB2 LYS A 84 4.577 21.597 16.166 1.00 0.00 H ATOM 1285 HB3 LYS A 84 3.654 22.962 15.496 1.00 0.00 H ATOM 1286 HG2 LYS A 84 6.406 22.336 14.461 1.00 0.00 H ATOM 1287 HG3 LYS A 84 5.001 21.391 13.915 1.00 0.00 H ATOM 1288 HD2 LYS A 84 5.234 23.066 12.298 1.00 0.00 H ATOM 1289 HD3 LYS A 84 3.927 23.655 13.351 1.00 0.00 H ATOM 1290 HE2 LYS A 84 6.828 24.478 13.623 1.00 0.00 H ATOM 1291 HE3 LYS A 84 5.423 25.167 14.470 1.00 0.00 H ATOM 1292 HZ1 LYS A 84 5.908 25.270 11.535 1.00 0.00 H ATOM 1293 HZ2 LYS A 84 4.566 25.928 12.344 1.00 0.00 H ATOM 1294 HZ3 LYS A 84 6.120 26.556 12.626 1.00 0.00 H ATOM 1295 H LYS A 84 7.120 22.244 16.526 1.00 0.00 H ATOM 1296 N ASN A 85 3.675 22.724 18.171 1.00 38.52 N ATOM 1297 CA ASN A 85 3.084 22.469 19.479 1.00 37.55 C ATOM 1298 C ASN A 85 3.246 21.009 19.864 1.00 37.94 C ATOM 1299 O ASN A 85 3.336 20.141 19.000 1.00 37.14 O ATOM 1300 CB ASN A 85 1.596 22.828 19.468 1.00 39.86 C ATOM 1301 CG ASN A 85 0.825 22.078 18.399 1.00 41.05 C ATOM 1302 OD1 ASN A 85 1.053 22.271 17.205 1.00 42.50 O ATOM 1303 ND2 ASN A 85 -0.091 21.213 18.822 1.00 43.54 N ATOM 1304 HA ASN A 85 3.601 23.090 20.211 1.00 0.00 H ATOM 1305 HB2 ASN A 85 1.170 22.585 20.442 1.00 0.00 H ATOM 1306 HB3 ASN A 85 1.496 23.898 19.286 1.00 0.00 H ATOM 1307 HD22 ASN A 85 -0.251 21.082 19.841 1.00 0.00 H ATOM 1308 HD21 ASN A 85 -0.648 20.668 18.134 1.00 0.00 H ATOM 1309 H ASN A 85 3.160 22.436 17.315 1.00 0.00 H ATOM 1310 N ASP A 86 3.287 20.745 21.166 1.00 37.19 N ATOM 1311 CA ASP A 86 3.418 19.384 21.672 1.00 36.19 C ATOM 1312 C ASP A 86 4.518 18.558 20.995 1.00 35.30 C ATOM 1313 O ASP A 86 4.284 17.429 20.567 1.00 36.59 O ATOM 1314 CB ASP A 86 2.081 18.649 21.544 1.00 36.19 C ATOM 1315 CG ASP A 86 0.976 19.307 22.344 1.00 36.20 C ATOM 1316 OD1 ASP A 86 1.125 19.428 23.578 1.00 36.23 O ATOM 1317 OD2 ASP A 86 -0.042 19.704 21.739 1.00 36.23 O ATOM 1318 HA ASP A 86 3.712 19.486 22.717 1.00 0.00 H ATOM 1319 HB2 ASP A 86 1.790 18.633 20.494 1.00 0.00 H ATOM 1320 HB3 ASP A 86 2.209 17.627 21.900 1.00 0.00 H ATOM 1321 H ASP A 86 3.224 21.532 21.843 1.00 0.00 H ATOM 1322 N THR A 87 5.710 19.138 20.905 1.00 30.80 N ATOM 1323 CA THR A 87 6.876 18.484 20.319 1.00 27.13 C ATOM 1324 C THR A 87 6.805 18.230 18.811 1.00 28.24 C ATOM 1325 O THR A 87 7.622 17.477 18.265 1.00 26.30 O ATOM 1326 CB THR A 87 7.191 17.140 21.037 1.00 26.41 C ATOM 1327 OG1 THR A 87 6.243 16.144 20.648 1.00 23.19 O ATOM 1328 CG2 THR A 87 7.136 17.326 22.551 1.00 22.91 C ATOM 1329 HA THR A 87 7.676 19.208 20.471 1.00 0.00 H ATOM 1330 HB THR A 87 8.193 16.819 20.750 1.00 0.00 H ATOM 1331 HG1 THR A 87 5.332 16.442 20.898 1.00 0.00 H ATOM 1332 HG23 THR A 87 7.859 18.086 22.849 1.00 0.00 H ATOM 1333 HG21 THR A 87 6.134 17.643 22.841 1.00 0.00 H ATOM 1334 HG22 THR A 87 7.376 16.382 23.041 1.00 0.00 H ATOM 1335 H THR A 87 5.818 20.106 21.270 1.00 0.00 H ATOM 1336 N LEU A 88 5.838 18.860 18.144 1.00 26.22 N ATOM 1337 CA LEU A 88 5.694 18.724 16.699 1.00 27.15 C ATOM 1338 C LEU A 88 6.878 19.477 16.099 1.00 26.61 C ATOM 1339 O LEU A 88 7.173 20.599 16.505 1.00 28.70 O ATOM 1340 CB LEU A 88 4.377 19.348 16.246 1.00 27.90 C ATOM 1341 CG LEU A 88 3.903 19.112 14.816 1.00 29.54 C ATOM 1342 CD1 LEU A 88 3.758 17.616 14.544 1.00 25.30 C ATOM 1343 CD2 LEU A 88 2.559 19.811 14.628 1.00 33.59 C ATOM 1344 HA LEU A 88 5.682 17.681 16.384 1.00 0.00 H ATOM 1345 HB2 LEU A 88 3.599 18.969 16.908 1.00 0.00 H ATOM 1346 HB3 LEU A 88 4.471 20.426 16.378 1.00 0.00 H ATOM 1347 HG LEU A 88 4.634 19.516 14.116 1.00 0.00 H ATOM 1348 HD21 LEU A 88 1.836 19.400 15.332 1.00 0.00 H ATOM 1349 HD22 LEU A 88 2.678 20.879 14.809 1.00 0.00 H ATOM 1350 HD23 LEU A 88 2.207 19.651 13.609 1.00 0.00 H ATOM 1351 HD11 LEU A 88 4.722 17.127 14.685 1.00 0.00 H ATOM 1352 HD12 LEU A 88 3.030 17.191 15.235 1.00 0.00 H ATOM 1353 HD13 LEU A 88 3.419 17.466 13.519 1.00 0.00 H ATOM 1354 H LEU A 88 5.170 19.463 18.666 1.00 0.00 H ATOM 1355 N PHE A 89 7.555 18.866 15.134 1.00 26.67 N ATOM 1356 CA PHE A 89 8.740 19.484 14.543 1.00 23.20 C ATOM 1357 C PHE A 89 8.697 19.509 13.017 1.00 26.06 C ATOM 1358 O PHE A 89 8.350 18.513 12.383 1.00 26.72 O ATOM 1359 CB PHE A 89 9.975 18.715 15.005 1.00 21.39 C ATOM 1360 CG PHE A 89 11.257 19.469 14.837 1.00 24.08 C ATOM 1361 CD1 PHE A 89 11.598 20.489 15.724 1.00 22.62 C ATOM 1362 CD2 PHE A 89 12.130 19.158 13.801 1.00 23.46 C ATOM 1363 CE1 PHE A 89 12.790 21.187 15.583 1.00 25.65 C ATOM 1364 CE2 PHE A 89 13.333 19.855 13.649 1.00 24.46 C ATOM 1365 CZ PHE A 89 13.662 20.871 14.545 1.00 25.44 C ATOM 1366 HA PHE A 89 8.774 20.521 14.876 1.00 0.00 H ATOM 1367 HB2 PHE A 89 9.854 18.474 16.061 1.00 0.00 H ATOM 1368 HB3 PHE A 89 10.041 17.793 14.428 1.00 0.00 H ATOM 1369 HD2 PHE A 89 11.875 18.363 13.100 1.00 0.00 H ATOM 1370 HE2 PHE A 89 14.011 19.605 12.833 1.00 0.00 H ATOM 1371 HZ PHE A 89 14.599 21.416 14.433 1.00 0.00 H ATOM 1372 HE1 PHE A 89 13.043 21.982 16.285 1.00 0.00 H ATOM 1373 HD1 PHE A 89 10.920 20.742 16.539 1.00 0.00 H ATOM 1374 H PHE A 89 7.238 17.936 14.794 1.00 0.00 H ATOM 1375 N GLY A 90 9.066 20.643 12.427 1.00 25.22 N ATOM 1376 CA GLY A 90 9.050 20.741 10.978 1.00 25.80 C ATOM 1377 C GLY A 90 9.807 21.917 10.391 1.00 25.79 C ATOM 1378 O GLY A 90 10.482 22.671 11.102 1.00 22.86 O ATOM 1379 HA3 GLY A 90 8.011 20.818 10.658 1.00 0.00 H ATOM 1380 HA2 GLY A 90 9.486 19.827 10.575 1.00 0.00 H ATOM 1381 H GLY A 90 9.365 21.457 13.002 1.00 0.00 H ATOM 1382 N ILE A 91 9.691 22.068 9.076 1.00 25.61 N ATOM 1383 CA ILE A 91 10.357 23.144 8.353 1.00 29.37 C ATOM 1384 C ILE A 91 9.774 24.502 8.719 1.00 28.97 C ATOM 1385 O ILE A 91 8.561 24.688 8.727 1.00 28.72 O ATOM 1386 CB ILE A 91 10.242 22.937 6.825 1.00 31.78 C ATOM 1387 CG1 ILE A 91 11.116 21.751 6.399 1.00 32.05 C ATOM 1388 CG2 ILE A 91 10.658 24.205 6.083 1.00 30.51 C ATOM 1389 CD1 ILE A 91 12.606 21.956 6.654 1.00 28.47 C ATOM 1390 HA ILE A 91 11.408 23.121 8.642 1.00 0.00 H ATOM 1391 HB ILE A 91 9.204 22.721 6.571 1.00 0.00 H ATOM 1392 HG12 ILE A 91 10.791 20.869 6.952 1.00 0.00 H ATOM 1393 HG13 ILE A 91 10.970 21.583 5.332 1.00 0.00 H ATOM 1394 HD11 ILE A 91 12.952 22.828 6.098 1.00 0.00 H ATOM 1395 HD12 ILE A 91 12.773 22.113 7.720 1.00 0.00 H ATOM 1396 HD13 ILE A 91 13.154 21.073 6.326 1.00 0.00 H ATOM 1397 HG21 ILE A 91 10.008 25.028 6.380 1.00 0.00 H ATOM 1398 HG22 ILE A 91 11.691 24.448 6.332 1.00 0.00 H ATOM 1399 HG23 ILE A 91 10.571 24.041 5.009 1.00 0.00 H ATOM 1400 H ILE A 91 9.104 21.394 8.544 1.00 0.00 H ATOM 1401 N LYS A 92 10.654 25.449 9.017 1.00 30.48 N ATOM 1402 CA LYS A 92 10.239 26.790 9.397 1.00 33.98 C ATOM 1403 C LYS A 92 9.345 27.417 8.325 1.00 33.72 C ATOM 1404 O LYS A 92 9.641 27.328 7.133 1.00 33.41 O ATOM 1405 CB LYS A 92 11.479 27.659 9.616 1.00 37.95 C ATOM 1406 CG LYS A 92 11.203 29.027 10.208 1.00 41.51 C ATOM 1407 CD LYS A 92 12.475 29.862 10.254 1.00 45.42 C ATOM 1408 CE LYS A 92 12.234 31.201 10.939 1.00 48.45 C ATOM 1409 NZ LYS A 92 11.766 30.999 12.342 1.00 50.93 N ATOM 1410 HA LYS A 92 9.662 26.727 10.320 1.00 0.00 H ATOM 1411 HB2 LYS A 92 12.151 27.127 10.290 1.00 0.00 H ATOM 1412 HB3 LYS A 92 11.969 27.799 8.653 1.00 0.00 H ATOM 1413 HG2 LYS A 92 10.461 29.539 9.595 1.00 0.00 H ATOM 1414 HG3 LYS A 92 10.817 28.908 11.220 1.00 0.00 H ATOM 1415 HD2 LYS A 92 13.240 29.314 10.804 1.00 0.00 H ATOM 1416 HD3 LYS A 92 12.820 30.041 9.236 1.00 0.00 H ATOM 1417 HE2 LYS A 92 11.476 31.755 10.385 1.00 0.00 H ATOM 1418 HE3 LYS A 92 13.164 31.770 10.950 1.00 0.00 H ATOM 1419 HZ1 LYS A 92 10.877 30.459 12.335 1.00 0.00 H ATOM 1420 HZ2 LYS A 92 12.488 30.473 12.875 1.00 0.00 H ATOM 1421 HZ3 LYS A 92 11.608 31.924 12.790 1.00 0.00 H ATOM 1422 H LYS A 92 11.669 25.226 8.978 1.00 0.00 H ATOM 1423 N GLY A 93 8.246 28.030 8.758 1.00 34.13 N ATOM 1424 CA GLY A 93 7.337 28.693 7.836 1.00 35.72 C ATOM 1425 C GLY A 93 6.396 27.841 6.998 1.00 38.66 C ATOM 1426 O GLY A 93 5.603 28.382 6.228 1.00 39.00 O ATOM 1427 HA3 GLY A 93 7.948 29.272 7.144 1.00 0.00 H ATOM 1428 HA2 GLY A 93 6.718 29.369 8.426 1.00 0.00 H ATOM 1429 H GLY A 93 8.033 28.035 9.776 1.00 0.00 H ATOM 1430 N THR A 94 6.467 26.521 7.135 1.00 38.77 N ATOM 1431 CA THR A 94 5.600 25.642 6.355 1.00 39.80 C ATOM 1432 C THR A 94 4.916 24.612 7.246 1.00 38.87 C ATOM 1433 O THR A 94 5.348 24.367 8.371 1.00 40.38 O ATOM 1434 CB THR A 94 6.395 24.872 5.295 1.00 42.50 C ATOM 1435 OG1 THR A 94 7.334 24.009 5.951 1.00 50.22 O ATOM 1436 CG2 THR A 94 7.144 25.827 4.376 1.00 44.78 C ATOM 1437 HA THR A 94 4.860 26.285 5.879 1.00 0.00 H ATOM 1438 HB THR A 94 5.700 24.288 4.692 1.00 0.00 H ATOM 1439 HG1 THR A 94 7.951 24.553 6.502 1.00 0.00 H ATOM 1440 HG23 THR A 94 6.431 26.483 3.877 1.00 0.00 H ATOM 1441 HG21 THR A 94 7.840 26.425 4.965 1.00 0.00 H ATOM 1442 HG22 THR A 94 7.696 25.254 3.631 1.00 0.00 H ATOM 1443 H THR A 94 7.148 26.109 7.805 1.00 0.00 H ATOM 1444 N GLU A 95 3.854 23.999 6.737 1.00 36.96 N ATOM 1445 CA GLU A 95 3.144 22.985 7.503 1.00 37.12 C ATOM 1446 C GLU A 95 3.590 21.576 7.121 1.00 36.28 C ATOM 1447 O GLU A 95 2.766 20.676 6.970 1.00 38.34 O ATOM 1448 CB GLU A 95 1.629 23.129 7.318 1.00 37.01 C ATOM 1449 CG GLU A 95 1.048 24.389 7.952 1.00 39.71 C ATOM 1450 CD GLU A 95 -0.465 24.456 7.847 1.00 40.87 C ATOM 1451 OE1 GLU A 95 -1.137 23.528 8.345 1.00 40.47 O ATOM 1452 OE2 GLU A 95 -0.979 25.435 7.268 1.00 40.47 O ATOM 1453 HA GLU A 95 3.388 23.140 8.554 1.00 0.00 H ATOM 1454 HB2 GLU A 95 1.414 23.151 6.250 1.00 0.00 H ATOM 1455 HB3 GLU A 95 1.144 22.263 7.768 1.00 0.00 H ATOM 1456 HG2 GLU A 95 1.326 24.409 9.006 1.00 0.00 H ATOM 1457 HG3 GLU A 95 1.471 25.259 7.450 1.00 0.00 H ATOM 1458 H GLU A 95 3.526 24.246 5.781 1.00 0.00 H ATOM 1459 N LEU A 96 4.900 21.400 6.951 1.00 33.23 N ATOM 1460 CA LEU A 96 5.484 20.102 6.620 1.00 31.04 C ATOM 1461 C LEU A 96 6.363 19.701 7.803 1.00 28.35 C ATOM 1462 O LEU A 96 7.190 20.489 8.267 1.00 26.67 O ATOM 1463 CB LEU A 96 6.317 20.192 5.339 1.00 25.78 C ATOM 1464 CG LEU A 96 5.536 20.421 4.042 1.00 28.55 C ATOM 1465 CD1 LEU A 96 6.499 20.482 2.861 1.00 21.03 C ATOM 1466 CD2 LEU A 96 4.523 19.300 3.852 1.00 24.99 C ATOM 1467 HA LEU A 96 4.705 19.361 6.442 1.00 0.00 H ATOM 1468 HB2 LEU A 96 7.019 21.018 5.455 1.00 0.00 H ATOM 1469 HB3 LEU A 96 6.870 19.258 5.235 1.00 0.00 H ATOM 1470 HG LEU A 96 5.002 21.369 4.100 1.00 0.00 H ATOM 1471 HD21 LEU A 96 5.046 18.345 3.797 1.00 0.00 H ATOM 1472 HD22 LEU A 96 3.832 19.290 4.695 1.00 0.00 H ATOM 1473 HD23 LEU A 96 3.969 19.466 2.928 1.00 0.00 H ATOM 1474 HD11 LEU A 96 7.201 21.302 3.008 1.00 0.00 H ATOM 1475 HD12 LEU A 96 7.046 19.542 2.791 1.00 0.00 H ATOM 1476 HD13 LEU A 96 5.935 20.645 1.942 1.00 0.00 H ATOM 1477 H LEU A 96 5.532 22.219 7.058 1.00 0.00 H ATOM 1478 N TYR A 97 6.198 18.470 8.276 1.00 26.22 N ATOM 1479 CA TYR A 97 6.933 18.007 9.445 1.00 25.16 C ATOM 1480 C TYR A 97 7.990 16.910 9.284 1.00 25.08 C ATOM 1481 O TYR A 97 7.933 16.082 8.361 1.00 21.33 O ATOM 1482 CB TYR A 97 5.924 17.562 10.513 1.00 27.05 C ATOM 1483 CG TYR A 97 4.727 18.483 10.637 1.00 31.50 C ATOM 1484 CD1 TYR A 97 3.566 18.250 9.899 1.00 32.54 C ATOM 1485 CD2 TYR A 97 4.767 19.605 11.462 1.00 35.09 C ATOM 1486 CE1 TYR A 97 2.469 19.116 9.978 1.00 36.06 C ATOM 1487 CE2 TYR A 97 3.682 20.475 11.550 1.00 39.66 C ATOM 1488 CZ TYR A 97 2.534 20.225 10.805 1.00 36.32 C ATOM 1489 OH TYR A 97 1.457 21.080 10.895 1.00 36.64 O ATOM 1490 HA TYR A 97 7.530 18.878 9.713 1.00 0.00 H ATOM 1491 HB3 TYR A 97 6.434 17.527 11.476 1.00 0.00 H ATOM 1492 HB2 TYR A 97 5.567 16.565 10.256 1.00 0.00 H ATOM 1493 HD2 TYR A 97 5.663 19.806 12.049 1.00 0.00 H ATOM 1494 HE2 TYR A 97 3.733 21.348 12.200 1.00 0.00 H ATOM 1495 HE1 TYR A 97 1.571 18.919 9.393 1.00 0.00 H ATOM 1496 HD1 TYR A 97 3.512 17.377 9.249 1.00 0.00 H ATOM 1497 HH TYR A 97 0.731 20.757 10.305 1.00 0.00 H ATOM 1498 H TYR A 97 5.532 17.826 7.803 1.00 0.00 H ATOM 1499 N PHE A 98 8.945 16.933 10.218 1.00 21.42 N ATOM 1500 CA PHE A 98 10.037 15.967 10.324 1.00 21.44 C ATOM 1501 C PHE A 98 9.248 14.695 10.663 1.00 21.30 C ATOM 1502 O PHE A 98 8.586 14.631 11.701 1.00 18.34 O ATOM 1503 CB PHE A 98 10.927 16.382 11.492 1.00 22.14 C ATOM 1504 CG PHE A 98 12.254 15.669 11.559 1.00 17.90 C ATOM 1505 CD1 PHE A 98 13.353 16.154 10.863 1.00 19.12 C ATOM 1506 CD2 PHE A 98 12.424 14.567 12.392 1.00 16.07 C ATOM 1507 CE1 PHE A 98 14.613 15.560 11.003 1.00 19.45 C ATOM 1508 CE2 PHE A 98 13.681 13.963 12.539 1.00 20.30 C ATOM 1509 CZ PHE A 98 14.778 14.463 11.844 1.00 18.07 C ATOM 1510 HA PHE A 98 10.684 15.868 9.452 1.00 0.00 H ATOM 1511 HB2 PHE A 98 11.120 17.452 11.409 1.00 0.00 H ATOM 1512 HB3 PHE A 98 10.387 16.183 12.418 1.00 0.00 H ATOM 1513 HD2 PHE A 98 11.569 14.168 12.937 1.00 0.00 H ATOM 1514 HE2 PHE A 98 13.799 13.102 13.197 1.00 0.00 H ATOM 1515 HZ PHE A 98 15.758 14.000 11.957 1.00 0.00 H ATOM 1516 HE1 PHE A 98 15.466 15.957 10.453 1.00 0.00 H ATOM 1517 HD1 PHE A 98 13.233 17.009 10.198 1.00 0.00 H ATOM 1518 H PHE A 98 8.909 17.696 10.923 1.00 0.00 H ATOM 1519 N ASN A 99 9.324 13.685 9.802 1.00 20.12 N ATOM 1520 CA ASN A 99 8.511 12.489 9.989 1.00 18.59 C ATOM 1521 C ASN A 99 9.201 11.164 9.705 1.00 19.22 C ATOM 1522 O ASN A 99 10.109 11.080 8.872 1.00 19.21 O ATOM 1523 CB ASN A 99 7.257 12.637 9.098 1.00 21.69 C ATOM 1524 CG ASN A 99 6.294 11.474 9.220 1.00 19.49 C ATOM 1525 OD1 ASN A 99 6.443 10.453 8.553 1.00 21.19 O ATOM 1526 ND2 ASN A 99 5.290 11.630 10.075 1.00 17.50 N ATOM 1527 HA ASN A 99 8.273 12.436 11.051 1.00 0.00 H ATOM 1528 HB2 ASN A 99 6.735 13.550 9.384 1.00 0.00 H ATOM 1529 HB3 ASN A 99 7.578 12.713 8.059 1.00 0.00 H ATOM 1530 HD22 ASN A 99 5.203 12.512 10.619 1.00 0.00 H ATOM 1531 HD21 ASN A 99 4.591 10.870 10.200 1.00 0.00 H ATOM 1532 H ASN A 99 9.969 13.748 8.988 1.00 0.00 H ATOM 1533 N TYR A 100 8.753 10.131 10.413 1.00 19.32 N ATOM 1534 CA TYR A 100 9.283 8.781 10.240 1.00 23.17 C ATOM 1535 C TYR A 100 8.235 7.723 10.595 1.00 24.93 C ATOM 1536 O TYR A 100 7.465 7.892 11.552 1.00 24.81 O ATOM 1537 CB TYR A 100 10.507 8.547 11.134 1.00 22.60 C ATOM 1538 CG TYR A 100 10.921 7.088 11.174 1.00 21.74 C ATOM 1539 CD1 TYR A 100 11.530 6.483 10.064 1.00 25.61 C ATOM 1540 CD2 TYR A 100 10.649 6.297 12.290 1.00 24.90 C ATOM 1541 CE1 TYR A 100 11.850 5.133 10.063 1.00 24.81 C ATOM 1542 CE2 TYR A 100 10.964 4.935 12.301 1.00 24.98 C ATOM 1543 CZ TYR A 100 11.565 4.357 11.182 1.00 29.06 C ATOM 1544 OH TYR A 100 11.867 3.004 11.176 1.00 28.12 O ATOM 1545 HA TYR A 100 9.563 8.690 9.191 1.00 0.00 H ATOM 1546 HB3 TYR A 100 10.269 8.872 12.147 1.00 0.00 H ATOM 1547 HB2 TYR A 100 11.339 9.137 10.751 1.00 0.00 H ATOM 1548 HD2 TYR A 100 10.184 6.748 13.167 1.00 0.00 H ATOM 1549 HE2 TYR A 100 10.741 4.328 13.179 1.00 0.00 H ATOM 1550 HE1 TYR A 100 12.322 4.683 9.190 1.00 0.00 H ATOM 1551 HD1 TYR A 100 11.756 7.086 9.185 1.00 0.00 H ATOM 1552 HH TYR A 100 11.035 2.481 11.298 1.00 0.00 H ATOM 1553 H TYR A 100 8.000 10.290 11.113 1.00 0.00 H ATOM 1554 N GLY A 101 8.214 6.634 9.835 1.00 25.72 N ATOM 1555 CA GLY A 101 7.279 5.560 10.137 1.00 27.32 C ATOM 1556 C GLY A 101 6.295 5.154 9.056 1.00 27.55 C ATOM 1557 O GLY A 101 5.691 4.081 9.147 1.00 25.57 O ATOM 1558 HA3 GLY A 101 6.698 5.869 11.006 1.00 0.00 H ATOM 1559 HA2 GLY A 101 7.867 4.678 10.389 1.00 0.00 H ATOM 1560 H GLY A 101 8.863 6.549 9.027 1.00 0.00 H ATOM 1561 N ASN A 102 6.134 5.996 8.038 1.00 26.02 N ATOM 1562 CA ASN A 102 5.201 5.722 6.948 1.00 27.50 C ATOM 1563 C ASN A 102 5.848 4.978 5.774 1.00 29.38 C ATOM 1564 O ASN A 102 7.045 5.096 5.538 1.00 27.83 O ATOM 1565 CB ASN A 102 4.592 7.042 6.444 1.00 29.90 C ATOM 1566 CG ASN A 102 3.782 7.774 7.518 1.00 31.31 C ATOM 1567 OD1 ASN A 102 2.786 7.260 8.016 1.00 35.02 O ATOM 1568 ND2 ASN A 102 4.211 8.979 7.873 1.00 27.27 N ATOM 1569 HA ASN A 102 4.427 5.070 7.352 1.00 0.00 H ATOM 1570 HB2 ASN A 102 5.400 7.694 6.113 1.00 0.00 H ATOM 1571 HB3 ASN A 102 3.935 6.823 5.602 1.00 0.00 H ATOM 1572 HD22 ASN A 102 5.060 9.381 7.427 1.00 0.00 H ATOM 1573 HD21 ASN A 102 3.698 9.521 8.597 1.00 0.00 H ATOM 1574 H ASN A 102 6.689 6.875 8.018 1.00 0.00 H ATOM 1575 N ARG A 103 5.035 4.206 5.055 1.00 31.04 N ATOM 1576 CA ARG A 103 5.456 3.448 3.870 1.00 34.60 C ATOM 1577 C ARG A 103 6.782 2.688 3.909 1.00 36.05 C ATOM 1578 O ARG A 103 7.496 2.651 2.909 1.00 39.12 O ATOM 1579 CB ARG A 103 5.490 4.372 2.651 1.00 35.92 C ATOM 1580 CG ARG A 103 4.195 5.101 2.365 1.00 39.54 C ATOM 1581 CD ARG A 103 3.024 4.148 2.193 1.00 37.49 C ATOM 1582 NE ARG A 103 1.839 4.871 1.751 1.00 37.68 N ATOM 1583 CZ ARG A 103 1.629 5.276 0.503 1.00 37.29 C ATOM 1584 NH1 ARG A 103 2.525 5.019 -0.442 1.00 35.98 N ATOM 1585 NH2 ARG A 103 0.529 5.957 0.208 1.00 38.76 N ATOM 1586 HA ARG A 103 4.699 2.665 3.825 1.00 0.00 H ATOM 1587 HB2 ARG A 103 6.269 5.117 2.813 1.00 0.00 H ATOM 1588 HB3 ARG A 103 5.740 3.770 1.777 1.00 0.00 H ATOM 1589 HG2 ARG A 103 3.981 5.774 3.195 1.00 0.00 H ATOM 1590 HG3 ARG A 103 4.313 5.681 1.450 1.00 0.00 H ATOM 1591 HD2 ARG A 103 2.814 3.662 3.146 1.00 0.00 H ATOM 1592 HD3 ARG A 103 3.282 3.393 1.450 1.00 0.00 H ATOM 1593 HE ARG A 103 1.108 5.084 2.460 1.00 0.00 H ATOM 1594 HH12 ARG A 103 2.358 5.337 -1.418 1.00 0.00 H ATOM 1595 HH11 ARG A 103 3.395 4.499 -0.207 1.00 0.00 H ATOM 1596 HH22 ARG A 103 0.361 6.276 -0.768 1.00 0.00 H ATOM 1597 HH21 ARG A 103 -0.165 6.172 0.952 1.00 0.00 H ATOM 1598 H ARG A 103 4.041 4.136 5.351 1.00 0.00 H ATOM 1599 N GLN A 104 7.118 2.077 5.036 1.00 35.78 N ATOM 1600 CA GLN A 104 8.370 1.335 5.119 1.00 35.36 C ATOM 1601 C GLN A 104 9.572 2.153 4.619 1.00 33.02 C ATOM 1602 O GLN A 104 10.568 1.587 4.168 1.00 32.56 O ATOM 1603 CB GLN A 104 8.264 0.036 4.306 1.00 38.27 C ATOM 1604 CG GLN A 104 7.322 -1.023 4.887 1.00 40.66 C ATOM 1605 CD GLN A 104 5.875 -0.569 4.964 1.00 39.94 C ATOM 1606 OE1 GLN A 104 5.529 0.321 5.742 1.00 40.19 O ATOM 1607 NE2 GLN A 104 5.020 -1.182 4.154 1.00 40.19 N ATOM 1608 HA GLN A 104 8.539 1.109 6.172 1.00 0.00 H ATOM 1609 HB2 GLN A 104 7.910 0.291 3.307 1.00 0.00 H ATOM 1610 HB3 GLN A 104 9.260 -0.401 4.236 1.00 0.00 H ATOM 1611 HG2 GLN A 104 7.372 -1.912 4.258 1.00 0.00 H ATOM 1612 HG3 GLN A 104 7.660 -1.271 5.893 1.00 0.00 H ATOM 1613 HE22 GLN A 104 5.356 -1.929 3.513 1.00 0.00 H ATOM 1614 HE21 GLN A 104 4.015 -0.915 4.161 1.00 0.00 H ATOM 1615 H GLN A 104 6.488 2.127 5.862 1.00 0.00 H ATOM 1616 N GLU A 105 9.470 3.479 4.693 1.00 28.53 N ATOM 1617 CA GLU A 105 10.547 4.370 4.261 1.00 26.38 C ATOM 1618 C GLU A 105 11.542 4.567 5.406 1.00 25.82 C ATOM 1619 O GLU A 105 11.196 5.108 6.456 1.00 26.10 O ATOM 1620 CB GLU A 105 9.977 5.726 3.836 1.00 23.56 C ATOM 1621 CG GLU A 105 11.023 6.815 3.633 1.00 26.48 C ATOM 1622 CD GLU A 105 11.909 6.573 2.423 1.00 28.57 C ATOM 1623 OE1 GLU A 105 11.353 6.423 1.318 1.00 31.16 O ATOM 1624 OE2 GLU A 105 13.152 6.539 2.572 1.00 25.99 O ATOM 1625 HA GLU A 105 11.056 3.919 3.409 1.00 0.00 H ATOM 1626 HB2 GLU A 105 9.439 5.591 2.898 1.00 0.00 H ATOM 1627 HB3 GLU A 105 9.282 6.060 4.606 1.00 0.00 H ATOM 1628 HG2 GLU A 105 10.511 7.768 3.503 1.00 0.00 H ATOM 1629 HG3 GLU A 105 11.653 6.861 4.521 1.00 0.00 H ATOM 1630 H GLU A 105 8.595 3.895 5.071 1.00 0.00 H ATOM 1631 N LYS A 106 12.777 4.131 5.195 1.00 24.93 N ATOM 1632 CA LYS A 106 13.815 4.242 6.213 1.00 24.47 C ATOM 1633 C LYS A 106 14.325 5.655 6.460 1.00 21.89 C ATOM 1634 O LYS A 106 14.641 6.005 7.587 1.00 24.15 O ATOM 1635 CB LYS A 106 14.992 3.326 5.858 1.00 24.94 C ATOM 1636 CG LYS A 106 14.668 1.851 5.994 1.00 29.89 C ATOM 1637 CD LYS A 106 15.869 0.974 5.686 1.00 36.17 C ATOM 1638 CE LYS A 106 15.523 -0.493 5.866 1.00 38.37 C ATOM 1639 NZ LYS A 106 16.672 -1.383 5.543 1.00 45.46 N ATOM 1640 HA LYS A 106 13.341 3.933 7.144 1.00 0.00 H ATOM 1641 HB2 LYS A 106 15.284 3.522 4.826 1.00 0.00 H ATOM 1642 HB3 LYS A 106 15.825 3.560 6.521 1.00 0.00 H ATOM 1643 HG2 LYS A 106 14.341 1.655 7.015 1.00 0.00 H ATOM 1644 HG3 LYS A 106 13.863 1.602 5.302 1.00 0.00 H ATOM 1645 HD2 LYS A 106 16.182 1.144 4.656 1.00 0.00 H ATOM 1646 HD3 LYS A 106 16.685 1.235 6.360 1.00 0.00 H ATOM 1647 HE2 LYS A 106 14.690 -0.741 5.208 1.00 0.00 H ATOM 1648 HE3 LYS A 106 15.229 -0.660 6.902 1.00 0.00 H ATOM 1649 HZ1 LYS A 106 16.956 -1.236 4.553 1.00 0.00 H ATOM 1650 HZ2 LYS A 106 17.470 -1.158 6.171 1.00 0.00 H ATOM 1651 HZ3 LYS A 106 16.390 -2.375 5.680 1.00 0.00 H ATOM 1652 H LYS A 106 13.011 3.698 4.279 1.00 0.00 H ATOM 1653 N ASN A 107 14.403 6.471 5.417 1.00 20.70 N ATOM 1654 CA ASN A 107 14.899 7.833 5.582 1.00 19.07 C ATOM 1655 C ASN A 107 13.843 8.765 6.163 1.00 19.22 C ATOM 1656 O ASN A 107 12.650 8.575 5.952 1.00 19.46 O ATOM 1657 CB ASN A 107 15.375 8.399 4.241 1.00 16.99 C ATOM 1658 CG ASN A 107 16.438 9.480 4.406 1.00 17.96 C ATOM 1659 OD1 ASN A 107 17.638 9.204 4.351 1.00 21.42 O ATOM 1660 ND2 ASN A 107 16.000 10.712 4.620 1.00 15.20 N ATOM 1661 HA ASN A 107 15.732 7.778 6.283 1.00 0.00 H ATOM 1662 HB2 ASN A 107 15.792 7.586 3.647 1.00 0.00 H ATOM 1663 HB3 ASN A 107 14.519 8.827 3.719 1.00 0.00 H ATOM 1664 HD22 ASN A 107 14.978 10.901 4.659 1.00 0.00 H ATOM 1665 HD21 ASN A 107 16.678 11.490 4.749 1.00 0.00 H ATOM 1666 H ASN A 107 14.109 6.138 4.477 1.00 0.00 H ATOM 1667 N ILE A 108 14.297 9.764 6.914 1.00 19.63 N ATOM 1668 CA ILE A 108 13.408 10.762 7.495 1.00 17.24 C ATOM 1669 C ILE A 108 12.757 11.510 6.336 1.00 19.68 C ATOM 1670 O ILE A 108 13.419 11.840 5.349 1.00 18.19 O ATOM 1671 CB ILE A 108 14.203 11.776 8.356 1.00 19.89 C ATOM 1672 CG1 ILE A 108 14.825 11.052 9.556 1.00 13.42 C ATOM 1673 CG2 ILE A 108 13.300 12.943 8.792 1.00 14.05 C ATOM 1674 CD1 ILE A 108 13.809 10.321 10.414 1.00 19.97 C ATOM 1675 HA ILE A 108 12.671 10.275 8.133 1.00 0.00 H ATOM 1676 HB ILE A 108 15.011 12.204 7.762 1.00 0.00 H ATOM 1677 HG12 ILE A 108 15.549 10.327 9.185 1.00 0.00 H ATOM 1678 HG13 ILE A 108 15.336 11.788 10.177 1.00 0.00 H ATOM 1679 HD11 ILE A 108 13.083 11.035 10.803 1.00 0.00 H ATOM 1680 HD12 ILE A 108 13.297 9.572 9.810 1.00 0.00 H ATOM 1681 HD13 ILE A 108 14.320 9.832 11.243 1.00 0.00 H ATOM 1682 HG21 ILE A 108 12.917 13.454 7.909 1.00 0.00 H ATOM 1683 HG22 ILE A 108 12.467 12.557 9.380 1.00 0.00 H ATOM 1684 HG23 ILE A 108 13.879 13.643 9.395 1.00 0.00 H ATOM 1685 H ILE A 108 15.319 9.835 7.092 1.00 0.00 H ATOM 1686 N LYS A 109 11.464 11.781 6.452 1.00 18.45 N ATOM 1687 CA LYS A 109 10.749 12.480 5.389 1.00 18.73 C ATOM 1688 C LYS A 109 9.971 13.674 5.904 1.00 21.20 C ATOM 1689 O LYS A 109 9.666 13.761 7.089 1.00 21.71 O ATOM 1690 CB LYS A 109 9.748 11.526 4.717 1.00 20.99 C ATOM 1691 CG LYS A 109 10.345 10.456 3.819 1.00 17.90 C ATOM 1692 CD LYS A 109 10.755 11.071 2.488 1.00 22.40 C ATOM 1693 CE LYS A 109 11.153 10.026 1.452 1.00 18.13 C ATOM 1694 NZ LYS A 109 11.619 10.708 0.213 1.00 16.41 N ATOM 1695 HA LYS A 109 11.503 12.828 4.683 1.00 0.00 H ATOM 1696 HB2 LYS A 109 9.185 11.025 5.504 1.00 0.00 H ATOM 1697 HB3 LYS A 109 9.068 12.127 4.113 1.00 0.00 H ATOM 1698 HG2 LYS A 109 11.220 10.024 4.303 1.00 0.00 H ATOM 1699 HG3 LYS A 109 9.605 9.675 3.645 1.00 0.00 H ATOM 1700 HD2 LYS A 109 9.916 11.647 2.097 1.00 0.00 H ATOM 1701 HD3 LYS A 109 11.603 11.735 2.657 1.00 0.00 H ATOM 1702 HE2 LYS A 109 10.293 9.398 1.220 1.00 0.00 H ATOM 1703 HE3 LYS A 109 11.957 9.407 1.850 1.00 0.00 H ATOM 1704 HZ1 LYS A 109 10.851 11.298 -0.166 1.00 0.00 H ATOM 1705 HZ2 LYS A 109 12.440 11.306 0.436 1.00 0.00 H ATOM 1706 HZ3 LYS A 109 11.890 9.994 -0.493 1.00 0.00 H ATOM 1707 H LYS A 109 10.953 11.492 7.311 1.00 0.00 H ATOM 1708 N LEU A 110 9.665 14.603 5.007 1.00 23.06 N ATOM 1709 CA LEU A 110 8.822 15.737 5.358 1.00 22.11 C ATOM 1710 C LEU A 110 7.432 15.149 5.107 1.00 22.26 C ATOM 1711 O LEU A 110 7.217 14.474 4.103 1.00 20.29 O ATOM 1712 CB LEU A 110 9.051 16.933 4.424 1.00 21.92 C ATOM 1713 CG LEU A 110 10.290 17.813 4.622 1.00 22.14 C ATOM 1714 CD1 LEU A 110 10.171 19.047 3.734 1.00 22.31 C ATOM 1715 CD2 LEU A 110 10.397 18.240 6.070 1.00 19.09 C ATOM 1716 HA LEU A 110 9.001 16.118 6.364 1.00 0.00 H ATOM 1717 HB2 LEU A 110 9.099 16.539 3.409 1.00 0.00 H ATOM 1718 HB3 LEU A 110 8.181 17.582 4.519 1.00 0.00 H ATOM 1719 HG LEU A 110 11.182 17.247 4.354 1.00 0.00 H ATOM 1720 HD21 LEU A 110 9.507 18.805 6.347 1.00 0.00 H ATOM 1721 HD22 LEU A 110 10.480 17.356 6.703 1.00 0.00 H ATOM 1722 HD23 LEU A 110 11.281 18.865 6.199 1.00 0.00 H ATOM 1723 HD11 LEU A 110 10.103 18.737 2.691 1.00 0.00 H ATOM 1724 HD12 LEU A 110 9.276 19.605 4.008 1.00 0.00 H ATOM 1725 HD13 LEU A 110 11.050 19.677 3.870 1.00 0.00 H ATOM 1726 H LEU A 110 10.033 14.520 4.038 1.00 0.00 H ATOM 1727 N TYR A 111 6.494 15.382 6.013 1.00 24.34 N ATOM 1728 CA TYR A 111 5.155 14.833 5.847 1.00 23.25 C ATOM 1729 C TYR A 111 4.123 15.858 6.297 1.00 25.61 C ATOM 1730 O TYR A 111 4.402 16.666 7.181 1.00 25.32 O ATOM 1731 CB TYR A 111 5.025 13.546 6.671 1.00 22.85 C ATOM 1732 CG TYR A 111 3.773 12.730 6.416 1.00 26.16 C ATOM 1733 CD1 TYR A 111 3.418 12.344 5.119 1.00 30.58 C ATOM 1734 CD2 TYR A 111 2.982 12.282 7.475 1.00 27.77 C ATOM 1735 CE1 TYR A 111 2.308 11.520 4.884 1.00 32.74 C ATOM 1736 CE2 TYR A 111 1.870 11.458 7.254 1.00 29.79 C ATOM 1737 CZ TYR A 111 1.543 11.079 5.958 1.00 34.01 C ATOM 1738 OH TYR A 111 0.475 10.237 5.737 1.00 36.18 O ATOM 1739 HA TYR A 111 4.981 14.599 4.797 1.00 0.00 H ATOM 1740 HB3 TYR A 111 5.038 13.820 7.726 1.00 0.00 H ATOM 1741 HB2 TYR A 111 5.887 12.917 6.449 1.00 0.00 H ATOM 1742 HD2 TYR A 111 3.234 12.579 8.493 1.00 0.00 H ATOM 1743 HE2 TYR A 111 1.265 11.116 8.094 1.00 0.00 H ATOM 1744 HE1 TYR A 111 2.047 11.227 3.867 1.00 0.00 H ATOM 1745 HD1 TYR A 111 4.015 12.690 4.276 1.00 0.00 H ATOM 1746 HH TYR A 111 0.383 10.071 4.765 1.00 0.00 H ATOM 1747 H TYR A 111 6.715 15.961 6.848 1.00 0.00 H ATOM 1748 N LYS A 112 2.943 15.830 5.677 1.00 25.78 N ATOM 1749 CA LYS A 112 1.877 16.759 6.025 1.00 26.91 C ATOM 1750 C LYS A 112 1.134 16.288 7.272 1.00 24.67 C ATOM 1751 O LYS A 112 0.480 17.080 7.944 1.00 29.67 O ATOM 1752 CB LYS A 112 0.896 16.907 4.862 1.00 32.87 C ATOM 1753 CG LYS A 112 0.150 15.633 4.518 1.00 38.24 C ATOM 1754 CD LYS A 112 -0.901 15.878 3.443 1.00 44.26 C ATOM 1755 CE LYS A 112 -1.663 14.598 3.117 1.00 46.04 C ATOM 1756 NZ LYS A 112 -2.734 14.823 2.099 1.00 50.11 N ATOM 1757 HA LYS A 112 2.329 17.729 6.233 1.00 0.00 H ATOM 1758 HB2 LYS A 112 0.165 17.672 5.125 1.00 0.00 H ATOM 1759 HB3 LYS A 112 1.454 17.226 3.982 1.00 0.00 H ATOM 1760 HG2 LYS A 112 0.862 14.891 4.156 1.00 0.00 H ATOM 1761 HG3 LYS A 112 -0.341 15.256 5.415 1.00 0.00 H ATOM 1762 HD2 LYS A 112 -1.605 16.631 3.798 1.00 0.00 H ATOM 1763 HD3 LYS A 112 -0.409 16.239 2.540 1.00 0.00 H ATOM 1764 HE2 LYS A 112 -2.121 14.219 4.031 1.00 0.00 H ATOM 1765 HE3 LYS A 112 -0.961 13.859 2.731 1.00 0.00 H ATOM 1766 HZ1 LYS A 112 -3.414 15.521 2.462 1.00 0.00 H ATOM 1767 HZ2 LYS A 112 -2.306 15.178 1.220 1.00 0.00 H ATOM 1768 HZ3 LYS A 112 -3.224 13.926 1.909 1.00 0.00 H ATOM 1769 H LYS A 112 2.780 15.128 4.927 1.00 0.00 H ATOM 1770 N GLY A 113 1.226 14.996 7.572 1.00 25.69 N ATOM 1771 CA GLY A 113 0.565 14.469 8.755 1.00 26.24 C ATOM 1772 C GLY A 113 1.233 14.977 10.022 1.00 29.30 C ATOM 1773 O GLY A 113 2.463 15.015 10.113 1.00 30.75 O ATOM 1774 HA3 GLY A 113 0.615 13.380 8.737 1.00 0.00 H ATOM 1775 HA2 GLY A 113 -0.479 14.784 8.751 1.00 0.00 H ATOM 1776 H GLY A 113 1.773 14.360 6.958 1.00 0.00 H ATOM 1777 N SER A 114 0.427 15.363 11.004 1.00 28.10 N ATOM 1778 CA SER A 114 0.950 15.886 12.262 1.00 30.31 C ATOM 1779 C SER A 114 0.696 14.962 13.453 1.00 29.79 C ATOM 1780 O SER A 114 0.535 15.425 14.581 1.00 28.08 O ATOM 1781 CB SER A 114 0.333 17.258 12.542 1.00 33.20 C ATOM 1782 OG SER A 114 -1.083 17.164 12.604 1.00 37.53 O ATOM 1783 HA SER A 114 2.031 15.963 12.145 1.00 0.00 H ATOM 1784 HB2 SER A 114 0.612 17.947 11.745 1.00 0.00 H ATOM 1785 HB3 SER A 114 0.710 17.634 13.493 1.00 0.00 H ATOM 1786 HG SER A 114 -1.340 16.541 13.330 1.00 0.00 H ATOM 1787 H SER A 114 -0.602 15.291 10.873 1.00 0.00 H ATOM 1788 N GLY A 115 0.666 13.658 13.202 1.00 26.98 N ATOM 1789 CA GLY A 115 0.438 12.712 14.278 1.00 23.93 C ATOM 1790 C GLY A 115 1.687 12.421 15.098 1.00 27.73 C ATOM 1791 O GLY A 115 2.656 13.198 15.088 1.00 27.82 O ATOM 1792 HA3 GLY A 115 0.081 11.777 13.847 1.00 0.00 H ATOM 1793 HA2 GLY A 115 -0.325 13.119 14.942 1.00 0.00 H ATOM 1794 H GLY A 115 0.806 13.314 12.231 1.00 0.00 H ATOM 1795 N LEU A 116 1.665 11.294 15.805 1.00 22.05 N ATOM 1796 CA LEU A 116 2.775 10.876 16.660 1.00 24.98 C ATOM 1797 C LEU A 116 4.093 10.638 15.930 1.00 23.53 C ATOM 1798 O LEU A 116 5.151 10.590 16.552 1.00 24.30 O ATOM 1799 CB LEU A 116 2.403 9.589 17.409 1.00 26.75 C ATOM 1800 CG LEU A 116 1.175 9.599 18.329 1.00 25.69 C ATOM 1801 CD1 LEU A 116 0.943 8.193 18.861 1.00 27.15 C ATOM 1802 CD2 LEU A 116 1.373 10.580 19.472 1.00 29.07 C ATOM 1803 HA LEU A 116 2.937 11.713 17.339 1.00 0.00 H ATOM 1804 HB2 LEU A 116 2.235 8.818 16.657 1.00 0.00 H ATOM 1805 HB3 LEU A 116 3.261 9.315 18.023 1.00 0.00 H ATOM 1806 HG LEU A 116 0.300 9.920 17.764 1.00 0.00 H ATOM 1807 HD21 LEU A 116 2.248 10.288 20.052 1.00 0.00 H ATOM 1808 HD22 LEU A 116 1.521 11.581 19.068 1.00 0.00 H ATOM 1809 HD23 LEU A 116 0.491 10.572 20.113 1.00 0.00 H ATOM 1810 HD11 LEU A 116 0.772 7.514 18.026 1.00 0.00 H ATOM 1811 HD12 LEU A 116 1.820 7.869 19.421 1.00 0.00 H ATOM 1812 HD13 LEU A 116 0.072 8.193 19.516 1.00 0.00 H ATOM 1813 H LEU A 116 0.824 10.685 15.747 1.00 0.00 H ATOM 1814 N TRP A 117 4.039 10.478 14.613 1.00 21.80 N ATOM 1815 CA TRP A 117 5.259 10.211 13.861 1.00 20.43 C ATOM 1816 C TRP A 117 6.003 11.472 13.413 1.00 21.20 C ATOM 1817 O TRP A 117 7.097 11.396 12.848 1.00 18.46 O ATOM 1818 CB TRP A 117 4.929 9.291 12.677 1.00 19.47 C ATOM 1819 CG TRP A 117 4.534 7.901 13.141 1.00 28.19 C ATOM 1820 CD1 TRP A 117 4.623 7.415 14.416 1.00 27.17 C ATOM 1821 CD2 TRP A 117 4.051 6.812 12.334 1.00 28.38 C ATOM 1822 NE1 TRP A 117 4.235 6.099 14.453 1.00 28.29 N ATOM 1823 CE2 TRP A 117 3.878 5.702 13.191 1.00 29.30 C ATOM 1824 CE3 TRP A 117 3.752 6.668 10.974 1.00 32.03 C ATOM 1825 CZ2 TRP A 117 3.418 4.465 12.734 1.00 30.19 C ATOM 1826 CZ3 TRP A 117 3.290 5.433 10.516 1.00 35.10 C ATOM 1827 CH2 TRP A 117 3.129 4.349 11.396 1.00 31.84 C ATOM 1828 HA TRP A 117 5.955 9.710 14.534 1.00 0.00 H ATOM 1829 HB2 TRP A 117 4.103 9.724 12.112 1.00 0.00 H ATOM 1830 HB3 TRP A 117 5.806 9.214 12.034 1.00 0.00 H ATOM 1831 HE1 TRP A 117 4.215 5.499 15.302 1.00 0.00 H ATOM 1832 HD1 TRP A 117 4.955 7.991 15.280 1.00 0.00 H ATOM 1833 HZ2 TRP A 117 3.293 3.622 13.414 1.00 0.00 H ATOM 1834 HH2 TRP A 117 2.767 3.396 11.009 1.00 0.00 H ATOM 1835 HZ3 TRP A 117 3.051 5.307 9.460 1.00 0.00 H ATOM 1836 HE3 TRP A 117 3.878 7.504 10.286 1.00 0.00 H ATOM 1837 H TRP A 117 3.127 10.543 14.118 1.00 0.00 H ATOM 1838 N SER A 118 5.411 12.631 13.695 1.00 19.28 N ATOM 1839 CA SER A 118 5.999 13.922 13.343 1.00 18.35 C ATOM 1840 C SER A 118 6.370 14.665 14.618 1.00 21.07 C ATOM 1841 O SER A 118 6.700 15.852 14.587 1.00 23.70 O ATOM 1842 CB SER A 118 5.003 14.766 12.551 1.00 17.33 C ATOM 1843 OG SER A 118 4.658 14.139 11.335 1.00 21.73 O ATOM 1844 HA SER A 118 6.885 13.750 12.731 1.00 0.00 H ATOM 1845 HB2 SER A 118 5.450 15.737 12.337 1.00 0.00 H ATOM 1846 HB3 SER A 118 4.102 14.906 13.148 1.00 0.00 H ATOM 1847 HG SER A 118 4.013 14.707 10.844 1.00 0.00 H ATOM 1848 H SER A 118 4.494 12.617 14.185 1.00 0.00 H ATOM 1849 N ARG A 119 6.322 13.952 15.736 1.00 19.94 N ATOM 1850 CA ARG A 119 6.631 14.535 17.026 1.00 22.87 C ATOM 1851 C ARG A 119 7.922 13.955 17.572 1.00 21.48 C ATOM 1852 O ARG A 119 8.132 12.738 17.569 1.00 21.59 O ATOM 1853 CB ARG A 119 5.467 14.291 17.990 1.00 23.15 C ATOM 1854 CG ARG A 119 4.178 14.957 17.499 1.00 26.98 C ATOM 1855 CD ARG A 119 2.968 14.599 18.360 1.00 32.58 C ATOM 1856 NE ARG A 119 1.733 15.126 17.783 1.00 39.44 N ATOM 1857 CZ ARG A 119 1.398 16.414 17.771 1.00 41.79 C ATOM 1858 NH1 ARG A 119 2.201 17.319 18.319 1.00 44.06 N ATOM 1859 NH2 ARG A 119 0.270 16.802 17.192 1.00 38.44 N ATOM 1860 HA ARG A 119 6.771 15.610 16.913 1.00 0.00 H ATOM 1861 HB2 ARG A 119 5.299 13.218 18.078 1.00 0.00 H ATOM 1862 HB3 ARG A 119 5.726 14.698 18.967 1.00 0.00 H ATOM 1863 HG2 ARG A 119 4.314 16.038 17.519 1.00 0.00 H ATOM 1864 HG3 ARG A 119 3.986 14.635 16.475 1.00 0.00 H ATOM 1865 HD2 ARG A 119 3.103 15.020 19.356 1.00 0.00 H ATOM 1866 HD3 ARG A 119 2.892 13.514 18.433 1.00 0.00 H ATOM 1867 HE ARG A 119 1.071 14.449 17.353 1.00 0.00 H ATOM 1868 HH12 ARG A 119 1.936 18.325 18.308 1.00 0.00 H ATOM 1869 HH11 ARG A 119 3.095 17.022 18.760 1.00 0.00 H ATOM 1870 HH22 ARG A 119 0.009 17.809 17.183 1.00 0.00 H ATOM 1871 HH21 ARG A 119 -0.354 16.100 16.746 1.00 0.00 H ATOM 1872 H ARG A 119 6.056 12.948 15.685 1.00 0.00 H ATOM 1873 N TRP A 120 8.793 14.832 18.043 1.00 18.89 N ATOM 1874 CA TRP A 120 10.076 14.388 18.548 1.00 21.55 C ATOM 1875 C TRP A 120 10.529 15.113 19.805 1.00 21.25 C ATOM 1876 O TRP A 120 10.232 16.287 20.014 1.00 20.68 O ATOM 1877 CB TRP A 120 11.133 14.549 17.452 1.00 19.87 C ATOM 1878 CG TRP A 120 10.746 13.888 16.159 1.00 19.54 C ATOM 1879 CD1 TRP A 120 9.775 14.298 15.283 1.00 17.84 C ATOM 1880 CD2 TRP A 120 11.282 12.676 15.623 1.00 18.87 C ATOM 1881 NE1 TRP A 120 9.672 13.416 14.240 1.00 20.81 N ATOM 1882 CE2 TRP A 120 10.586 12.409 14.418 1.00 20.38 C ATOM 1883 CE3 TRP A 120 12.284 11.786 16.041 1.00 16.59 C ATOM 1884 CZ2 TRP A 120 10.861 11.289 13.625 1.00 18.10 C ATOM 1885 CZ3 TRP A 120 12.558 10.667 15.250 1.00 19.48 C ATOM 1886 CH2 TRP A 120 11.847 10.431 14.056 1.00 19.56 C ATOM 1887 HA TRP A 120 9.955 13.341 18.828 1.00 0.00 H ATOM 1888 HB2 TRP A 120 11.282 15.613 17.267 1.00 0.00 H ATOM 1889 HB3 TRP A 120 12.066 14.108 17.802 1.00 0.00 H ATOM 1890 HE1 TRP A 120 9.009 13.497 13.443 1.00 0.00 H ATOM 1891 HD1 TRP A 120 9.171 15.198 15.400 1.00 0.00 H ATOM 1892 HZ2 TRP A 120 10.315 11.103 12.700 1.00 0.00 H ATOM 1893 HH2 TRP A 120 12.083 9.549 13.461 1.00 0.00 H ATOM 1894 HZ3 TRP A 120 13.333 9.966 15.561 1.00 0.00 H ATOM 1895 HE3 TRP A 120 12.837 11.964 16.963 1.00 0.00 H ATOM 1896 H TRP A 120 8.556 15.845 18.051 1.00 0.00 H ATOM 1897 N LYS A 121 11.268 14.395 20.638 1.00 21.88 N ATOM 1898 CA LYS A 121 11.780 14.957 21.873 1.00 23.27 C ATOM 1899 C LYS A 121 13.285 14.796 21.954 1.00 22.04 C ATOM 1900 O LYS A 121 13.880 14.019 21.207 1.00 17.34 O ATOM 1901 CB LYS A 121 11.159 14.243 23.073 1.00 27.27 C ATOM 1902 CG LYS A 121 9.663 14.457 23.263 1.00 32.37 C ATOM 1903 CD LYS A 121 9.129 13.461 24.295 1.00 36.02 C ATOM 1904 CE LYS A 121 7.740 13.827 24.791 1.00 38.75 C ATOM 1905 NZ LYS A 121 7.157 12.732 25.620 1.00 45.36 N ATOM 1906 HA LYS A 121 11.523 16.016 21.887 1.00 0.00 H ATOM 1907 HB2 LYS A 121 11.333 13.174 22.954 1.00 0.00 H ATOM 1908 HB3 LYS A 121 11.665 14.595 23.972 1.00 0.00 H ATOM 1909 HG2 LYS A 121 9.483 15.474 23.613 1.00 0.00 H ATOM 1910 HG3 LYS A 121 9.151 14.305 22.313 1.00 0.00 H ATOM 1911 HD2 LYS A 121 9.088 12.472 23.839 1.00 0.00 H ATOM 1912 HD3 LYS A 121 9.810 13.439 25.146 1.00 0.00 H ATOM 1913 HE2 LYS A 121 7.092 14.008 23.933 1.00 0.00 H ATOM 1914 HE3 LYS A 121 7.805 14.733 25.393 1.00 0.00 H ATOM 1915 HZ1 LYS A 121 7.088 11.866 25.049 1.00 0.00 H ATOM 1916 HZ2 LYS A 121 7.769 12.559 26.443 1.00 0.00 H ATOM 1917 HZ3 LYS A 121 6.209 13.011 25.944 1.00 0.00 H ATOM 1918 H LYS A 121 11.486 13.406 20.401 1.00 0.00 H ATOM 1919 N VAL A 122 13.896 15.551 22.860 1.00 20.07 N ATOM 1920 CA VAL A 122 15.321 15.431 23.114 1.00 20.44 C ATOM 1921 C VAL A 122 15.407 14.140 23.926 1.00 21.71 C ATOM 1922 O VAL A 122 14.708 13.997 24.926 1.00 21.62 O ATOM 1923 CB VAL A 122 15.833 16.601 23.967 1.00 21.16 C ATOM 1924 CG1 VAL A 122 17.182 16.256 24.571 1.00 20.29 C ATOM 1925 CG2 VAL A 122 15.934 17.852 23.106 1.00 20.94 C ATOM 1926 HA VAL A 122 15.914 15.432 22.199 1.00 0.00 H ATOM 1927 HB VAL A 122 15.133 16.789 24.781 1.00 0.00 H ATOM 1928 HG11 VAL A 122 17.082 15.371 25.200 1.00 0.00 H ATOM 1929 HG12 VAL A 122 17.896 16.056 23.772 1.00 0.00 H ATOM 1930 HG13 VAL A 122 17.534 17.094 25.173 1.00 0.00 H ATOM 1931 HG21 VAL A 122 16.627 17.671 22.284 1.00 0.00 H ATOM 1932 HG22 VAL A 122 14.950 18.097 22.706 1.00 0.00 H ATOM 1933 HG23 VAL A 122 16.297 18.681 23.713 1.00 0.00 H ATOM 1934 H VAL A 122 13.341 16.245 23.400 1.00 0.00 H ATOM 1935 N TYR A 123 16.244 13.201 23.494 1.00 23.04 N ATOM 1936 CA TYR A 123 16.364 11.919 24.185 1.00 23.14 C ATOM 1937 C TYR A 123 16.691 12.129 25.650 1.00 25.24 C ATOM 1938 O TYR A 123 17.527 12.965 25.988 1.00 23.96 O ATOM 1939 CB TYR A 123 17.451 11.061 23.541 1.00 25.06 C ATOM 1940 CG TYR A 123 17.435 9.625 24.007 1.00 28.01 C ATOM 1941 CD1 TYR A 123 16.287 8.848 23.859 1.00 29.14 C ATOM 1942 CD2 TYR A 123 18.566 9.035 24.576 1.00 29.29 C ATOM 1943 CE1 TYR A 123 16.259 7.520 24.260 1.00 28.88 C ATOM 1944 CE2 TYR A 123 18.550 7.700 24.983 1.00 29.84 C ATOM 1945 CZ TYR A 123 17.387 6.951 24.816 1.00 31.56 C ATOM 1946 OH TYR A 123 17.340 5.626 25.181 1.00 31.83 O ATOM 1947 HA TYR A 123 15.406 11.405 24.103 1.00 0.00 H ATOM 1948 HB3 TYR A 123 18.422 11.493 23.784 1.00 0.00 H ATOM 1949 HB2 TYR A 123 17.308 11.076 22.460 1.00 0.00 H ATOM 1950 HD2 TYR A 123 19.473 9.625 24.704 1.00 0.00 H ATOM 1951 HE2 TYR A 123 19.437 7.248 25.427 1.00 0.00 H ATOM 1952 HE1 TYR A 123 15.351 6.929 24.137 1.00 0.00 H ATOM 1953 HD1 TYR A 123 15.394 9.292 23.420 1.00 0.00 H ATOM 1954 HH TYR A 123 18.017 5.119 24.667 1.00 0.00 H ATOM 1955 H TYR A 123 16.823 13.382 22.650 1.00 0.00 H ATOM 1956 N GLY A 124 16.019 11.377 26.515 1.00 26.43 N ATOM 1957 CA GLY A 124 16.255 11.503 27.943 1.00 29.80 C ATOM 1958 C GLY A 124 15.381 12.547 28.621 1.00 31.22 C ATOM 1959 O GLY A 124 15.525 12.803 29.819 1.00 33.40 O ATOM 1960 HA3 GLY A 124 17.299 11.777 28.096 1.00 0.00 H ATOM 1961 HA2 GLY A 124 16.062 10.537 28.410 1.00 0.00 H ATOM 1962 H GLY A 124 15.318 10.692 26.167 1.00 0.00 H ATOM 1963 N THR A 125 14.483 13.165 27.862 1.00 30.56 N ATOM 1964 CA THR A 125 13.591 14.176 28.421 1.00 30.69 C ATOM 1965 C THR A 125 12.239 14.097 27.731 1.00 31.72 C ATOM 1966 O THR A 125 12.019 13.246 26.868 1.00 30.09 O ATOM 1967 CB THR A 125 14.132 15.609 28.216 1.00 28.53 C ATOM 1968 OG1 THR A 125 13.799 16.068 26.897 1.00 24.55 O ATOM 1969 CG2 THR A 125 15.640 15.640 28.394 1.00 28.14 C ATOM 1970 HA THR A 125 13.512 13.975 29.489 1.00 0.00 H ATOM 1971 HB THR A 125 13.675 16.262 28.960 1.00 0.00 H ATOM 1972 HG1 THR A 125 14.206 15.464 26.226 1.00 0.00 H ATOM 1973 HG23 THR A 125 15.894 15.292 29.395 1.00 0.00 H ATOM 1974 HG21 THR A 125 16.105 14.990 27.653 1.00 0.00 H ATOM 1975 HG22 THR A 125 15.999 16.660 28.261 1.00 0.00 H ATOM 1976 H THR A 125 14.414 12.924 26.853 1.00 0.00 H ATOM 1977 N THR A 126 11.334 14.987 28.128 1.00 30.72 N ATOM 1978 CA THR A 126 10.012 15.051 27.524 1.00 35.65 C ATOM 1979 C THR A 126 9.811 16.456 26.957 1.00 34.30 C ATOM 1980 O THR A 126 8.689 16.960 26.875 1.00 34.03 O ATOM 1981 CB THR A 126 8.885 14.726 28.545 1.00 39.91 C ATOM 1982 OG1 THR A 126 9.367 14.925 29.881 1.00 44.36 O ATOM 1983 CG2 THR A 126 8.406 13.285 28.380 1.00 44.34 C ATOM 1984 HA THR A 126 9.953 14.301 26.735 1.00 0.00 H ATOM 1985 HB THR A 126 8.045 15.395 28.357 1.00 0.00 H ATOM 1986 HG1 THR A 126 9.648 15.868 29.992 1.00 0.00 H ATOM 1987 HG23 THR A 126 8.041 13.139 27.363 1.00 0.00 H ATOM 1988 HG21 THR A 126 9.235 12.604 28.571 1.00 0.00 H ATOM 1989 HG22 THR A 126 7.601 13.088 29.088 1.00 0.00 H ATOM 1990 H THR A 126 11.577 15.653 28.889 1.00 0.00 H ATOM 1991 N ASP A 127 10.918 17.086 26.574 1.00 31.81 N ATOM 1992 CA ASP A 127 10.873 18.424 26.001 1.00 28.81 C ATOM 1993 C ASP A 127 11.054 18.350 24.493 1.00 28.66 C ATOM 1994 O ASP A 127 11.606 17.373 23.977 1.00 24.09 O ATOM 1995 CB ASP A 127 11.981 19.301 26.593 1.00 29.78 C ATOM 1996 CG ASP A 127 11.962 19.334 28.110 1.00 33.14 C ATOM 1997 OD1 ASP A 127 10.858 19.381 28.695 1.00 33.26 O ATOM 1998 OD2 ASP A 127 13.052 19.323 28.717 1.00 34.97 O ATOM 1999 HA ASP A 127 9.903 18.863 26.236 1.00 0.00 H ATOM 2000 HB2 ASP A 127 12.945 18.912 26.265 1.00 0.00 H ATOM 2001 HB3 ASP A 127 11.856 20.318 26.221 1.00 0.00 H ATOM 2002 H ASP A 127 11.837 16.612 26.686 1.00 0.00 H ATOM 2003 N ASP A 128 10.602 19.380 23.782 1.00 26.08 N ATOM 2004 CA ASP A 128 10.772 19.389 22.341 1.00 25.13 C ATOM 2005 C ASP A 128 12.249 19.647 22.021 1.00 24.61 C ATOM 2006 O ASP A 128 13.056 19.910 22.923 1.00 21.17 O ATOM 2007 CB ASP A 128 9.878 20.446 21.685 1.00 26.19 C ATOM 2008 CG ASP A 128 10.167 21.854 22.165 1.00 28.24 C ATOM 2009 OD1 ASP A 128 11.336 22.174 22.474 1.00 28.93 O ATOM 2010 OD2 ASP A 128 9.212 22.653 22.210 1.00 28.43 O ATOM 2011 HA ASP A 128 10.474 18.422 21.937 1.00 0.00 H ATOM 2012 HB2 ASP A 128 10.032 20.409 20.607 1.00 0.00 H ATOM 2013 HB3 ASP A 128 8.838 20.209 21.911 1.00 0.00 H ATOM 2014 H ASP A 128 10.129 20.175 24.257 1.00 0.00 H ATOM 2015 N LEU A 129 12.602 19.574 20.742 1.00 18.58 N ATOM 2016 CA LEU A 129 13.984 19.766 20.328 1.00 19.51 C ATOM 2017 C LEU A 129 14.550 21.151 20.637 1.00 21.52 C ATOM 2018 O LEU A 129 15.726 21.281 20.963 1.00 22.32 O ATOM 2019 CB LEU A 129 14.116 19.463 18.835 1.00 18.04 C ATOM 2020 CG LEU A 129 13.714 18.033 18.440 1.00 20.96 C ATOM 2021 CD1 LEU A 129 13.953 17.816 16.958 1.00 17.53 C ATOM 2022 CD2 LEU A 129 14.513 17.024 19.269 1.00 15.01 C ATOM 2023 HA LEU A 129 14.579 19.070 20.919 1.00 0.00 H ATOM 2024 HB2 LEU A 129 13.481 20.160 18.288 1.00 0.00 H ATOM 2025 HB3 LEU A 129 15.156 19.617 18.546 1.00 0.00 H ATOM 2026 HG LEU A 129 12.653 17.888 18.641 1.00 0.00 H ATOM 2027 HD21 LEU A 129 15.578 17.165 19.083 1.00 0.00 H ATOM 2028 HD22 LEU A 129 14.304 17.179 20.328 1.00 0.00 H ATOM 2029 HD23 LEU A 129 14.224 16.012 18.985 1.00 0.00 H ATOM 2030 HD11 LEU A 129 13.356 18.527 16.387 1.00 0.00 H ATOM 2031 HD12 LEU A 129 15.010 17.966 16.736 1.00 0.00 H ATOM 2032 HD13 LEU A 129 13.665 16.800 16.690 1.00 0.00 H ATOM 2033 H LEU A 129 11.877 19.376 20.023 1.00 0.00 H ATOM 2034 N CYS A 130 13.712 22.178 20.548 1.00 20.14 N ATOM 2035 CA CYS A 130 14.146 23.543 20.796 1.00 22.31 C ATOM 2036 C CYS A 130 14.581 23.793 22.243 1.00 22.47 C ATOM 2037 O CYS A 130 15.098 24.860 22.567 1.00 23.40 O ATOM 2038 CB CYS A 130 13.036 24.515 20.365 1.00 23.35 C ATOM 2039 SG CYS A 130 12.665 24.341 18.581 1.00 24.57 S ATOM 2040 HA CYS A 130 15.040 23.717 20.197 1.00 0.00 H ATOM 2041 HB2 CYS A 130 13.360 25.537 20.564 1.00 0.00 H ATOM 2042 HB3 CYS A 130 12.134 24.303 20.939 1.00 0.00 H ATOM 2043 H CYS A 130 12.719 22.001 20.294 1.00 0.00 H ATOM 2044 N SER A 131 14.377 22.803 23.106 1.00 21.36 N ATOM 2045 CA SER A 131 14.780 22.915 24.503 1.00 22.85 C ATOM 2046 C SER A 131 16.305 22.808 24.613 1.00 23.46 C ATOM 2047 O SER A 131 16.880 23.144 25.643 1.00 23.90 O ATOM 2048 CB SER A 131 14.149 21.796 25.332 1.00 19.26 C ATOM 2049 OG SER A 131 14.684 20.543 24.947 1.00 22.91 O ATOM 2050 HA SER A 131 14.444 23.880 24.881 1.00 0.00 H ATOM 2051 HB2 SER A 131 13.071 21.792 25.172 1.00 0.00 H ATOM 2052 HB3 SER A 131 14.357 21.968 26.388 1.00 0.00 H ATOM 2053 HG SER A 131 14.493 20.385 23.989 1.00 0.00 H ATOM 2054 H SER A 131 13.920 21.929 22.778 1.00 0.00 H ATOM 2055 N ARG A 132 16.944 22.311 23.555 1.00 26.44 N ATOM 2056 CA ARG A 132 18.398 22.160 23.525 1.00 26.81 C ATOM 2057 C ARG A 132 19.015 23.168 22.571 1.00 25.76 C ATOM 2058 O ARG A 132 20.213 23.159 22.312 1.00 25.90 O ATOM 2059 CB ARG A 132 18.783 20.740 23.094 1.00 30.57 C ATOM 2060 CG ARG A 132 18.776 19.725 24.232 1.00 42.27 C ATOM 2061 CD ARG A 132 19.835 20.077 25.285 1.00 48.73 C ATOM 2062 NE ARG A 132 19.750 19.237 26.481 1.00 53.29 N ATOM 2063 CZ ARG A 132 20.088 17.952 26.522 1.00 55.99 C ATOM 2064 NH1 ARG A 132 20.543 17.346 25.434 1.00 58.53 N ATOM 2065 NH2 ARG A 132 19.955 17.266 27.651 1.00 55.92 N ATOM 2066 HA ARG A 132 18.779 22.340 24.530 1.00 0.00 H ATOM 2067 HB2 ARG A 132 18.076 20.408 22.334 1.00 0.00 H ATOM 2068 HB3 ARG A 132 19.786 20.771 22.667 1.00 0.00 H ATOM 2069 HG2 ARG A 132 17.792 19.722 24.702 1.00 0.00 H ATOM 2070 HG3 ARG A 132 18.988 18.735 23.829 1.00 0.00 H ATOM 2071 HD2 ARG A 132 19.700 21.118 25.580 1.00 0.00 H ATOM 2072 HD3 ARG A 132 20.823 19.952 24.841 1.00 0.00 H ATOM 2073 HE ARG A 132 19.402 19.675 27.358 1.00 0.00 H ATOM 2074 HH12 ARG A 132 20.806 16.341 25.470 1.00 0.00 H ATOM 2075 HH11 ARG A 132 20.637 17.876 24.544 1.00 0.00 H ATOM 2076 HH22 ARG A 132 20.219 16.261 27.683 1.00 0.00 H ATOM 2077 HH21 ARG A 132 19.586 17.734 28.503 1.00 0.00 H ATOM 2078 H ARG A 132 16.391 22.021 22.723 1.00 0.00 H ATOM 2079 N GLY A 133 18.190 24.053 22.043 1.00 30.04 N ATOM 2080 CA GLY A 133 18.718 25.033 21.125 1.00 33.40 C ATOM 2081 C GLY A 133 18.685 26.421 21.700 1.00 38.26 C ATOM 2082 O GLY A 133 18.805 26.622 22.903 1.00 39.68 O ATOM 2083 HA3 GLY A 133 18.123 25.016 20.212 1.00 0.00 H ATOM 2084 HA2 GLY A 133 19.750 24.774 20.889 1.00 0.00 H ATOM 2085 H GLY A 133 17.178 24.044 22.284 1.00 0.00 H ATOM 2086 N TYR A 134 18.521 27.376 20.800 1.00 42.81 N ATOM 2087 CA TYR A 134 18.445 28.782 21.120 1.00 47.74 C ATOM 2088 C TYR A 134 17.013 29.242 20.820 1.00 53.67 C ATOM 2089 O TYR A 134 16.256 28.528 20.158 1.00 58.45 O ATOM 2090 CB TYR A 134 19.454 29.561 20.269 1.00 45.45 C ATOM 2091 CG TYR A 134 20.838 28.960 20.281 1.00 43.98 C ATOM 2092 CD1 TYR A 134 21.296 28.193 19.208 1.00 43.58 C ATOM 2093 CD2 TYR A 134 21.682 29.123 21.381 1.00 44.00 C ATOM 2094 CE1 TYR A 134 22.558 27.602 19.227 1.00 42.95 C ATOM 2095 CE2 TYR A 134 22.945 28.534 21.415 1.00 42.11 C ATOM 2096 CZ TYR A 134 23.377 27.773 20.335 1.00 44.01 C ATOM 2097 OH TYR A 134 24.616 27.165 20.371 1.00 43.22 O ATOM 2098 HA TYR A 134 18.685 28.960 22.168 1.00 0.00 H ATOM 2099 HB3 TYR A 134 19.516 30.580 20.652 1.00 0.00 H ATOM 2100 HB2 TYR A 134 19.095 29.582 19.240 1.00 0.00 H ATOM 2101 HD2 TYR A 134 21.347 29.721 22.228 1.00 0.00 H ATOM 2102 HE2 TYR A 134 23.590 28.669 22.283 1.00 0.00 H ATOM 2103 HE1 TYR A 134 22.900 27.010 18.378 1.00 0.00 H ATOM 2104 HD1 TYR A 134 20.654 28.054 18.338 1.00 0.00 H ATOM 2105 HH TYR A 134 24.653 26.538 21.136 1.00 0.00 H ATOM 2106 H TYR A 134 18.442 27.097 19.801 1.00 0.00 H ATOM 2107 N GLU A 135 16.643 30.424 21.304 1.00 56.05 N ATOM 2108 CA GLU A 135 15.299 30.972 21.108 1.00 59.12 C ATOM 2109 C GLU A 135 14.227 30.165 21.839 1.00 59.24 C ATOM 2110 O GLU A 135 14.418 28.944 22.019 1.00 60.42 O ATOM 2111 CB GLU A 135 14.950 31.040 19.617 1.00 61.87 C ATOM 2112 CG GLU A 135 15.428 32.304 18.916 1.00 67.10 C ATOM 2113 CD GLU A 135 14.981 32.369 17.464 1.00 69.41 C ATOM 2114 OE1 GLU A 135 15.209 33.414 16.817 1.00 72.35 O ATOM 2115 OE2 GLU A 135 14.405 31.375 16.969 1.00 71.97 O ATOM 2116 HA GLU A 135 15.313 31.977 21.530 1.00 0.00 H ATOM 2117 OXT GLU A 135 13.195 30.765 22.208 1.00 59.27 O ATOM 2118 HB2 GLU A 135 15.404 30.182 19.121 1.00 0.00 H ATOM 2119 HB3 GLU A 135 13.866 30.984 19.517 1.00 0.00 H ATOM 2120 HG2 GLU A 135 15.028 33.170 19.444 1.00 0.00 H ATOM 2121 HG3 GLU A 135 16.517 32.331 18.948 1.00 0.00 H ATOM 2122 H GLU A 135 17.336 30.982 21.843 1.00 0.00 H TER 2123 GLU A 135 HETATM 2124 O HOH 1 21.897 21.666 20.634 1.00 24.11 O HETATM 2125 O HOH 2 19.527 11.085 17.274 1.00 21.24 O HETATM 2126 O HOH 3 15.295 4.234 9.605 1.00 19.24 O HETATM 2127 O HOH 4 10.301 18.832 19.144 1.00 20.63 O HETATM 2128 O HOH 5 5.712 9.847 19.054 1.00 26.03 O HETATM 2129 O HOH 6 25.061 12.934 13.735 1.00 20.11 O HETATM 2130 O HOH 7 25.873 20.528 0.397 1.00 37.86 O HETATM 2131 O HOH 8 19.548 22.610 9.621 1.00 20.76 O HETATM 2132 O HOH 9 7.612 8.297 7.032 1.00 24.48 O HETATM 2133 O HOH 10 7.039 23.681 10.321 1.00 55.72 O HETATM 2134 O HOH 11 8.457 20.598 18.733 1.00 32.76 O HETATM 2135 O HOH 12 6.672 13.447 22.182 1.00 32.72 O HETATM 2136 O HOH 13 19.706 13.836 24.375 1.00 27.90 O HETATM 2137 O HOH 14 28.536 11.327 3.565 1.00 31.45 O HETATM 2138 O HOH 15 -3.768 14.284 -0.554 1.00 41.08 O HETATM 2139 O HOH 16 7.814 11.906 19.931 1.00 27.90 O HETATM 2140 O HOH 17 18.709 30.991 22.487 1.00 35.88 O HETATM 2141 O HOH 18 8.914 6.589 0.059 1.00 52.20 O HETATM 2142 O HOH 19 15.600 3.091 21.211 1.00 20.75 O HETATM 2143 O HOH 20 8.986 5.007 7.562 1.00 29.80 O HETATM 2144 O HOH 21 24.656 6.358 2.439 1.00 27.24 O HETATM 2145 O HOH 22 18.332 27.186 18.531 1.00 32.95 O HETATM 2146 O HOH 23 25.496 28.010 9.290 1.00 30.31 O HETATM 2147 O HOH 24 13.701 3.071 2.794 1.00 32.18 O HETATM 2148 O HOH 25 20.105 1.181 6.403 1.00 35.38 O HETATM 2149 O HOH 26 13.835 14.276 -1.579 1.00 36.66 O HETATM 2150 O HOH 27 10.400 7.685 6.893 1.00 24.34 O HETATM 2151 O HOH 28 30.113 0.966 24.418 1.00 20.87 O HETATM 2152 O HOH 29 16.219 26.459 18.258 1.00 29.21 O HETATM 2153 O HOH 30 17.809 15.396 1.081 1.00 31.08 O HETATM 2154 O HOH 31 26.653 25.588 24.886 1.00 54.80 O HETATM 2155 O HOH 32 17.962 21.228 27.321 1.00 38.06 O HETATM 2156 O HOH 33 13.367 10.194 25.925 1.00 35.28 O HETATM 2157 O HOH 34 -1.341 9.406 15.597 1.00 39.85 O HETATM 2158 O HOH 35 19.852 28.309 7.182 1.00 34.43 O HETATM 2159 O HOH 36 11.036 26.840 17.075 1.00 31.67 O HETATM 2160 O HOH 37 31.310 15.520 6.363 1.00 35.39 O HETATM 2161 O HOH 38 -0.269 19.935 6.899 1.00 44.16 O HETATM 2162 O HOH 39 20.438 24.056 2.524 1.00 27.44 O HETATM 2163 O HOH 40 23.619 4.057 15.838 1.00 34.37 O HETATM 2164 O HOH 41 26.772 6.868 10.557 1.00 34.16 O HETATM 2165 O HOH 42 8.488 8.295 14.225 1.00 33.71 O HETATM 2166 O HOH 43 6.389 2.895 11.541 1.00 39.64 O HETATM 2167 O HOH 44 18.556 6.683 3.696 1.00 28.18 O HETATM 2168 O HOH 45 0.360 6.955 3.606 1.00 54.52 O HETATM 2169 O HOH 46 12.427 11.628 -2.248 1.00 42.13 O HETATM 2170 O HOH 47 28.391 29.198 23.145 1.00 55.53 O HETATM 2171 O HOH 48 1.071 16.068 -1.049 1.00 43.99 O HETATM 2172 O HOH 49 9.128 17.364 29.467 1.00 58.61 O HETATM 2173 O HOH 50 19.069 4.061 24.802 1.00 33.22 O HETATM 2174 O HOH 51 12.183 27.705 5.694 1.00 37.63 O HETATM 2175 O HOH 52 6.751 21.803 21.171 1.00 39.80 O HETATM 2176 O HOH 53 13.847 1.581 9.597 1.00 38.85 O HETATM 2177 O HOH 54 18.605 1.676 3.155 1.00 43.22 O HETATM 2178 O HOH 55 16.510 9.350 0.638 1.00 44.34 O HETATM 2179 O HOH 56 -2.049 14.438 10.475 1.00 39.09 O HETATM 2180 O HOH 57 -6.659 1.473 12.193 1.00 57.15 O HETATM 2181 O HOH 58 26.754 30.160 6.704 1.00 59.95 O HETATM 2182 O HOH 59 3.209 3.233 6.279 1.00 64.92 O HETATM 2183 O HOH 60 22.771 4.669 3.749 1.00 28.98 O HETATM 2184 O HOH 61 11.931 28.177 21.638 1.00 57.88 O HETATM 2185 O HOH 62 8.899 14.594 -2.816 1.00 48.71 O HETATM 2186 O HOH 63 18.329 2.628 9.479 1.00 34.75 O HETATM 2187 O HOH 64 3.720 19.177 -1.168 1.00 34.58 O HETATM 2188 O HOH 65 28.154 19.597 28.917 1.00 68.22 O HETATM 2189 O HOH 66 3.935 24.843 10.517 1.00 55.53 O HETATM 2190 O HOH 67 25.506 16.810 1.236 1.00 58.07 O HETATM 2191 O HOH 68 26.626 18.624 13.840 1.00 91.28 O HETATM 2192 O HOH 69 2.659 -1.366 6.471 1.00 64.68 O HETATM 2193 O HOH 70 17.392 32.105 11.440 1.00 39.76 O HETATM 2194 O HOH 71 29.174 6.427 15.488 1.00 38.77 O HETATM 2195 O HOH 72 15.427 4.094 23.531 1.00 38.24 O HETATM 2196 O HOH 73 9.967 11.527 -3.124 1.00 51.01 O HETATM 2197 O HOH 74 24.252 17.905 -0.353 1.00 70.51 O HETATM 2198 O HOH 75 26.963 27.450 23.046 1.00 48.36 O HETATM 2199 O HOH 76 23.378 24.388 21.571 1.00 45.24 O HETATM 2200 O HOH 77 24.754 24.446 1.337 1.00 49.79 O HETATM 2201 O HOH 78 19.182 17.748 -3.057 1.00 40.20 O HETATM 2202 O HOH 79 4.135 13.872 22.625 1.00 61.55 O HETATM 2203 O HOH 80 10.208 24.618 -2.209 1.00 45.07 O HETATM 2204 O HOH 81 9.261 2.426 8.308 1.00 35.03 O HETATM 2205 O HOH 82 21.249 11.748 24.934 1.00 34.24 O HETATM 2206 O HOH 83 21.794 1.525 17.443 1.00 27.21 O HETATM 2207 O HOH 84 -4.038 15.815 -1.970 1.00 51.31 O HETATM 2208 O HOH 85 19.140 21.993 1.598 1.00 40.47 O HETATM 2209 O HOH 86 8.646 1.081 10.898 1.00 45.82 O HETATM 2210 O HOH 87 30.928 0.581 22.262 1.00 43.60 O HETATM 2211 O HOH 88 16.328 32.223 3.959 1.00 62.38 O HETATM 2212 O HOH 89 24.675 11.704 24.275 1.00 45.41 O HETATM 2213 O HOH 90 6.203 29.960 11.185 1.00 55.51 O HETATM 2214 O HOH 91 17.670 1.974 25.625 1.00 39.06 O HETATM 2215 O HOH 92 27.309 30.209 4.474 1.00 59.54 O HETATM 2216 O HOH 93 11.793 2.672 0.593 1.00 51.53 O HETATM 2217 O HOH 94 9.381 1.173 16.554 1.00 52.61 O HETATM 2218 O HOH 95 29.736 8.083 11.185 1.00 51.81 O HETATM 2219 O HOH 96 24.502 29.171 11.211 1.00 47.08 O HETATM 2220 O HOH 97 32.848 15.340 15.079 1.00 63.84 O HETATM 2221 O HOH 98 21.687 25.085 0.683 1.00 59.47 O HETATM 2222 O HOH 99 27.860 5.688 8.092 1.00 45.66 O HETATM 2223 O HOH 100 20.808 30.736 10.579 1.00 53.28 O HETATM 2224 O HOH 101 2.370 24.810 12.099 1.00 62.99 O HETATM 2225 O HOH 102 23.975 0.617 18.773 1.00 40.62 O HETATM 2226 O HOH 103 9.362 12.716 -5.454 1.00 58.58 O HETATM 2227 O HOH 104 15.061 32.164 11.051 1.00 73.46 O HETATM 2228 O HOH 105 11.613 1.659 7.478 1.00 58.65 O HETATM 2229 O HOH 106 21.249 18.530 -4.141 1.00 67.11 O HETATM 2230 O HOH 107 10.451 1.221 12.852 1.00 45.32 O HETATM 2231 O HOH 108 28.241 1.899 21.922 1.00 63.90 O HETATM 2232 O HOH 109 32.572 16.499 17.090 1.00 61.04 O HETATM 2233 O HOH 110 16.775 30.733 13.317 1.00 80.19 O HETATM 2234 O HOH 111 17.850 2.145 22.888 1.00 52.12 O HETATM 2235 O HOH 112 28.244 16.544 1.283 1.00 48.58 O HETATM 2236 O HOH 113 21.551 30.211 -0.195 1.00 66.28 O HETATM 2237 O HOH 114 27.462 4.995 15.399 1.00 70.23 O HETATM 2238 O HOH 115 22.513 1.565 15.023 1.00 67.14 O HETATM 2239 O HOH 116 27.852 27.411 18.598 1.00 57.77 O HETATM 2240 O HOH 117 -2.062 7.252 15.807 1.00 65.02 O HETATM 2241 O HOH 118 28.381 22.244 7.348 1.00 38.57 O HETATM 2242 O HOH 119 8.048 -1.462 7.001 1.00 61.64 O HETATM 2243 O HOH 120 12.592 28.747 0.970 1.00 63.36 O HETATM 2244 O HOH 121 7.122 15.202 27.158 1.00 72.78 O HETATM 2245 O HOH 122 12.419 8.211 -1.450 1.00 54.37 O HETATM 2246 O HOH 123 15.558 0.134 9.804 1.00 51.13 O HETATM 2247 O HOH 124 -1.705 15.139 -0.822 1.00 72.97 O HETATM 2248 O HOH 125 14.935 26.743 -4.440 1.00 56.67 O HETATM 2249 O HOH 126 17.089 13.470 -0.930 1.00 67.49 O HETATM 2250 O HOH 127 25.902 12.789 22.611 1.00 79.76 O HETATM 2251 C1 SGA A 128 -0.832 6.504 10.213 1.00 0.19 C HETATM 2252 O5 SGA A 128 -1.224 6.175 11.583 1.00 -0.34 O HETATM 2253 C5 SGA A 128 -0.314 6.767 12.572 1.00 0.11 C HETATM 2254 C4 SGA A 128 -0.242 8.306 12.415 1.00 0.11 C HETATM 2255 C3 SGA A 128 0.233 8.637 10.984 1.00 0.14 C HETATM 2256 C2 SGA A 128 -0.752 8.005 9.999 1.00 0.14 C HETATM 2257 O2 SGA A 128 -0.340 8.285 8.644 1.00 -0.38 O HETATM 2258 H8 SGA A 128 0.514 7.899 8.488 1.00 0.21 H HETATM 2259 H2 SGA A 128 -1.748 8.440 10.166 1.00 0.07 H HETATM 2260 O3 SGA A 128 0.301 10.050 10.804 1.00 -0.26 O HETATM 2261 S SGA A 128 1.596 10.742 11.133 1.00 -0.07 S HETATM 2262 O3S SGA A 128 1.801 10.778 12.584 1.00 -0.46 O HETATM 2263 O2S SGA A 128 1.564 12.127 10.630 1.00 -0.46 O HETATM 2264 O1S SGA A 128 2.746 10.046 10.487 1.00 -0.46 O HETATM 2265 H3 SGA A 128 1.233 8.209 10.822 1.00 0.07 H HETATM 2266 O4 SGA A 128 -1.540 8.843 12.634 1.00 -0.39 O HETATM 2267 H9 SGA A 128 -1.823 8.634 13.517 1.00 0.21 H HETATM 2268 H4 SGA A 128 0.463 8.727 13.147 1.00 0.06 H HETATM 2269 C6 SGA A 128 -0.826 6.288 13.947 1.00 0.07 C HETATM 2270 O6 SGA A 128 0.012 6.816 14.999 1.00 -0.39 O HETATM 2271 H10 SGA A 128 -0.007 7.765 14.972 1.00 0.21 H HETATM 2272 H6 SGA A 128 -0.804 5.189 13.981 1.00 0.06 H HETATM 2273 H7 SGA A 128 -1.858 6.639 14.093 1.00 0.06 H HETATM 2274 H5 SGA A 128 0.700 6.370 12.417 1.00 0.06 H HETATM 2275 O1 SGA A 128 -1.806 5.914 9.331 1.00 -0.34 O HETATM 2276 C3 SGA A 128 -1.830 4.507 9.230 1.00 0.12 C HETATM 2277 C2 SGA A 128 -1.376 4.032 7.848 1.00 0.12 C HETATM 2278 C1 SGA A 128 -1.397 2.497 7.766 1.00 0.18 C HETATM 2279 O5 SGA A 128 -2.744 2.011 8.058 1.00 -0.34 O HETATM 2280 C5 SGA A 128 -3.260 2.423 9.327 1.00 0.11 C HETATM 2281 C4 SGA A 128 -3.286 3.982 9.441 1.00 0.12 C HETATM 2282 O1 SGA A 128 -3.793 4.409 10.756 1.00 -0.34 O HETATM 2283 C1 SGA A 128 -5.114 4.992 10.781 1.00 0.19 C HETATM 2284 O5 SGA A 128 -5.194 6.272 10.069 1.00 -0.34 O HETATM 2285 C5 SGA A 128 -4.472 7.411 10.688 1.00 0.09 C HETATM 2286 C4 SGA A 128 -4.863 7.591 12.127 1.00 0.11 C HETATM 2287 C3 SGA A 128 -4.669 6.279 12.912 1.00 0.11 C HETATM 2288 C2 SGA A 128 -5.503 5.167 12.262 1.00 0.13 C HETATM 2289 O2 SGA A 128 -5.386 3.909 12.932 1.00 -0.38 O HETATM 2290 H32 SGA A 128 -5.966 3.278 12.522 1.00 0.21 H HETATM 2291 H25 SGA A 128 -6.558 5.475 12.308 1.00 0.07 H HETATM 2292 O3 SGA A 128 -5.133 6.455 14.248 1.00 -0.39 O HETATM 2293 H33 SGA A 128 -6.051 6.699 14.234 1.00 0.21 H HETATM 2294 H26 SGA A 128 -3.605 6.000 12.915 1.00 0.06 H HETATM 2295 O4 SGA A 128 -6.250 8.007 12.225 1.00 -0.39 O HETATM 2296 H34 SGA A 128 -6.474 8.145 13.138 1.00 0.21 H HETATM 2297 H27 SGA A 128 -4.224 8.369 12.571 1.00 0.06 H HETATM 2298 C6 SGA A 128 -4.655 8.620 9.810 1.00 -0.04 C HETATM 2299 H29 SGA A 128 -4.340 8.379 8.784 1.00 0.03 H HETATM 2300 H30 SGA A 128 -4.044 9.449 10.196 1.00 0.03 H HETATM 2301 H31 SGA A 128 -5.715 8.915 9.809 1.00 0.03 H HETATM 2302 H28 SGA A 128 -3.398 7.171 10.685 1.00 0.06 H HETATM 2303 H24 SGA A 128 -5.816 4.293 10.303 1.00 0.09 H HETATM 2304 H14 SGA A 128 -3.940 4.392 8.658 1.00 0.07 H HETATM 2305 C6 SGA A 128 -4.635 1.804 9.469 1.00 0.07 C HETATM 2306 O6 SGA A 128 -4.576 0.373 9.351 1.00 -0.39 O HETATM 2307 H23 SGA A 128 -4.225 0.141 8.499 1.00 0.21 H HETATM 2308 H16 SGA A 128 -5.291 2.202 8.681 1.00 0.06 H HETATM 2309 H17 SGA A 128 -5.046 2.066 10.455 1.00 0.06 H HETATM 2310 H15 SGA A 128 -2.611 2.033 10.125 1.00 0.06 H HETATM 2311 O1 SGA A 128 -1.015 2.050 6.544 1.00 -0.37 O HETATM 2312 H22 SGA A 128 -1.019 1.100 6.540 1.00 0.21 H HETATM 2313 H11 SGA A 128 -0.701 2.098 8.518 1.00 0.09 H HETATM 2314 N2 SGA A 128 -0.032 4.496 7.553 1.00 -0.28 N HETATM 2315 C7 SGA A 128 0.211 5.375 6.571 1.00 0.17 C HETATM 2316 O7 SGA A 128 -0.680 5.881 5.826 1.00 -0.40 O HETATM 2317 C8 SGA A 128 1.637 5.739 6.382 1.00 0.03 C HETATM 2318 H18 SGA A 128 1.725 6.461 5.557 1.00 0.05 H HETATM 2319 H19 SGA A 128 2.217 4.836 6.142 1.00 0.05 H HETATM 2320 H20 SGA A 128 2.026 6.190 7.307 1.00 0.05 H HETATM 2321 H21 SGA A 128 0.733 4.150 8.097 1.00 0.19 H HETATM 2322 H12 SGA A 128 -2.067 4.439 7.095 1.00 0.06 H HETATM 2323 H13 SGA A 128 -1.167 4.084 9.999 1.00 0.06 H HETATM 2324 H1 SGA A 128 0.157 6.069 10.006 1.00 0.09 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 253 252 442 CONECT 442 253 441 CONECT 839 838 1089 CONECT 1089 839 1088 CONECT 1269 1268 2039 CONECT 2039 1269 2038 CONECT 2251 2252 2256 2275 2324 CONECT 2252 2251 2253 CONECT 2253 2252 2254 2269 2274 CONECT 2254 2253 2255 2266 2268 CONECT 2255 2254 2256 2260 2265 CONECT 2256 2251 2255 2257 2259 CONECT 2257 2256 2258 CONECT 2258 2257 CONECT 2259 2256 CONECT 2260 2255 2261 CONECT 2261 2260 2262 2263 2264 CONECT 2262 2261 CONECT 2263 2261 CONECT 2264 2261 CONECT 2265 2255 CONECT 2266 2254 2267 CONECT 2267 2266 CONECT 2268 2254 CONECT 2269 2253 2270 2272 2273 CONECT 2270 2269 2271 CONECT 2271 2270 CONECT 2272 2269 CONECT 2273 2269 CONECT 2274 2253 CONECT 2275 2251 2276 CONECT 2276 2275 2277 2281 2323 CONECT 2277 2276 2278 2314 2322 CONECT 2278 2277 2279 2311 2313 CONECT 2279 2278 2280 CONECT 2280 2279 2281 2305 2310 CONECT 2281 2276 2280 2282 2304 CONECT 2282 2281 2283 CONECT 2283 2282 2284 2288 2303 CONECT 2284 2283 2285 CONECT 2285 2284 2286 2298 2302 CONECT 2286 2285 2287 2295 2297 CONECT 2287 2286 2288 2292 2294 CONECT 2288 2283 2287 2289 2291 CONECT 2289 2288 2290 CONECT 2290 2289 CONECT 2291 2288 CONECT 2292 2287 2293 CONECT 2293 2292 CONECT 2294 2287 CONECT 2295 2286 2296 CONECT 2296 2295 CONECT 2297 2286 CONECT 2298 2285 2299 2300 2301 CONECT 2299 2298 CONECT 2300 2298 CONECT 2301 2298 CONECT 2302 2285 CONECT 2303 2283 CONECT 2304 2281 CONECT 2305 2280 2306 2308 2309 CONECT 2306 2305 2307 CONECT 2307 2306 CONECT 2308 2305 CONECT 2309 2305 CONECT 2310 2280 CONECT 2311 2278 2312 CONECT 2312 2311 CONECT 2313 2278 CONECT 2314 2277 2315 2321 CONECT 2315 2314 2316 2317 CONECT 2316 2315 CONECT 2317 2315 2318 2319 2320 CONECT 2318 2317 CONECT 2319 2317 CONECT 2320 2317 CONECT 2321 2314 CONECT 2322 2277 CONECT 2323 2276 CONECT 2324 2251 MASTER 0 0 0 0 0 0 0 0 2323 1 84 11 END
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Entry Information
PDB ID
1fwv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cysteine-rich domain of mannose receptor
Ligand Name
3-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.19mM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v305 pp. 481-90, 2001
Ligand Properties
Formula
C
2
0
H
3
7
NO
1
8
S
Molecular Weight
611.569
Exact Mass
611.173
No. of atoms
77
No. of bonds
79
Polar Surface Area
332.31
LOGP Value
-6.13 (
Computed with XLOGP3
)
-4.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)OS(O)(O)O)O)NC(=O)C
InChI String
InChI=1S/C20H37NO18S/c1-5-10(25)12(27)13(28)19(34-5)37-15-8(4-23)35-18(30)9(21-6(2)24)16(15)38-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-33H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q61830
Entrez Gene ID
NCBI Entrez Gene ID:
17533
ASD
Information of known allosteric effects of PDB entries
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