Browse entries in the PDBbind-CN Database
HEADER 1RPF_COMPLEX COMPND 1RPF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET C A 3P 33 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 -20.491 35.690 -2.767 1.00 0.68 N ATOM 2 CA LYS A 1 -21.100 36.235 -1.538 1.00 1.19 C ATOM 3 C LYS A 1 -20.128 36.054 -0.365 1.00 1.34 C ATOM 4 O LYS A 1 -20.373 35.275 0.561 1.00 1.14 O ATOM 5 CB LYS A 1 -22.423 35.617 -1.250 1.00 0.85 C ATOM 6 CG LYS A 1 -23.132 36.165 -0.052 1.00 1.43 C ATOM 7 CD LYS A 1 -22.301 37.140 0.738 1.00 1.14 C ATOM 8 CE LYS A 1 -22.699 37.073 2.216 1.00 1.03 C ATOM 9 NZ LYS A 1 -23.595 38.194 2.528 1.00 1.44 N ATOM 10 HA LYS A 1 -21.285 37.299 -1.686 1.00 0.00 H ATOM 11 HB2 LYS A 1 -23.063 35.767 -2.120 1.00 0.00 H ATOM 12 HB3 LYS A 1 -22.270 34.549 -1.093 1.00 0.00 H ATOM 13 HG2 LYS A 1 -24.036 36.673 -0.387 1.00 0.00 H ATOM 14 HG3 LYS A 1 -23.404 35.334 0.599 1.00 0.00 H ATOM 15 HD2 LYS A 1 -21.246 36.886 0.634 1.00 0.00 H ATOM 16 HD3 LYS A 1 -22.469 38.149 0.362 1.00 0.00 H ATOM 17 HE2 LYS A 1 -21.806 37.137 2.837 1.00 0.00 H ATOM 18 HE3 LYS A 1 -23.211 36.131 2.413 1.00 0.00 H ATOM 19 HZ1 LYS A 1 -23.104 39.091 2.339 1.00 0.00 H ATOM 20 HZ2 LYS A 1 -24.446 38.131 1.934 1.00 0.00 H ATOM 21 HZ3 LYS A 1 -23.866 38.150 3.531 1.00 0.00 H ATOM 22 HN3 LYS A 1 -20.291 34.678 -2.634 1.00 0.00 H ATOM 23 HN2 LYS A 1 -19.605 36.197 -2.968 1.00 0.00 H ATOM 24 HN1 LYS A 1 -21.150 35.812 -3.563 1.00 0.00 H ATOM 25 N GLU A 2 -19.091 36.806 -0.482 1.00 0.54 N ATOM 26 CA GLU A 2 -17.885 36.958 0.298 1.00 0.58 C ATOM 27 C GLU A 2 -18.125 36.955 1.788 1.00 0.43 C ATOM 28 O GLU A 2 -18.768 37.762 2.416 1.00 0.31 O ATOM 29 CB GLU A 2 -17.213 38.264 -0.112 1.00 0.58 C ATOM 30 CG GLU A 2 -15.729 38.175 -0.154 1.00 0.50 C ATOM 31 CD GLU A 2 -15.205 39.393 -0.931 1.00 0.50 C ATOM 32 OE1 GLU A 2 -15.898 40.427 -0.991 1.00 0.37 O ATOM 33 OE2 GLU A 2 -14.169 39.241 -1.567 1.00 0.53 O ATOM 34 HA GLU A 2 -17.249 36.097 0.093 1.00 0.00 H ATOM 35 HB2 GLU A 2 -17.571 38.541 -1.103 1.00 0.00 H ATOM 36 HB3 GLU A 2 -17.493 39.037 0.604 1.00 0.00 H ATOM 37 HG2 GLU A 2 -15.328 38.181 0.860 1.00 0.00 H ATOM 38 HG3 GLU A 2 -15.427 37.256 -0.657 1.00 0.00 H ATOM 39 H GLU A 2 -19.129 37.435 -1.310 1.00 0.00 H ATOM 40 N THR A 3 -17.457 36.054 2.498 1.00 0.34 N ATOM 41 CA THR A 3 -17.240 36.232 3.910 1.00 0.32 C ATOM 42 C THR A 3 -16.501 37.516 4.249 1.00 0.54 C ATOM 43 O THR A 3 -15.844 38.196 3.455 1.00 0.33 O ATOM 44 CB THR A 3 -16.544 35.024 4.510 1.00 0.32 C ATOM 45 OG1 THR A 3 -15.202 34.946 4.128 1.00 0.34 O ATOM 46 CG2 THR A 3 -17.235 33.740 4.135 1.00 0.23 C ATOM 47 HA THR A 3 -18.228 36.325 4.361 1.00 0.00 H ATOM 48 HB THR A 3 -16.594 35.157 5.591 1.00 0.00 H ATOM 49 HG1 THR A 3 -14.789 34.147 4.540 1.00 0.00 H ATOM 50 HG23 THR A 3 -18.283 33.793 4.430 1.00 0.00 H ATOM 51 HG21 THR A 3 -17.167 33.594 3.057 1.00 0.00 H ATOM 52 HG22 THR A 3 -16.754 32.907 4.647 1.00 0.00 H ATOM 53 H THR A 3 -17.084 35.205 2.026 1.00 0.00 H ATOM 54 N ALA A 4 -16.604 37.908 5.522 1.00 0.48 N ATOM 55 CA ALA A 4 -15.911 38.979 6.180 1.00 0.31 C ATOM 56 C ALA A 4 -14.402 38.812 6.196 1.00 0.38 C ATOM 57 O ALA A 4 -13.743 39.808 5.890 1.00 0.42 O ATOM 58 CB ALA A 4 -16.403 39.250 7.586 1.00 0.27 C ATOM 59 HA ALA A 4 -16.149 39.846 5.564 1.00 0.00 H ATOM 60 HB1 ALA A 4 -17.459 39.517 7.555 1.00 0.00 H ATOM 61 HB2 ALA A 4 -16.271 38.355 8.194 1.00 0.00 H ATOM 62 HB3 ALA A 4 -15.832 40.072 8.017 1.00 0.00 H ATOM 63 H ALA A 4 -17.271 37.369 6.111 1.00 0.00 H ATOM 64 N ALA A 5 -13.925 37.627 6.519 1.00 0.27 N ATOM 65 CA ALA A 5 -12.554 37.202 6.363 1.00 0.22 C ATOM 66 C ALA A 5 -12.037 37.352 4.962 1.00 0.31 C ATOM 67 O ALA A 5 -10.998 37.983 4.786 1.00 0.29 O ATOM 68 CB ALA A 5 -12.289 35.860 6.979 1.00 0.19 C ATOM 69 HA ALA A 5 -11.954 37.903 6.944 1.00 0.00 H ATOM 70 HB1 ALA A 5 -12.506 35.902 8.046 1.00 0.00 H ATOM 71 HB2 ALA A 5 -12.926 35.113 6.507 1.00 0.00 H ATOM 72 HB3 ALA A 5 -11.243 35.594 6.830 1.00 0.00 H ATOM 73 H ALA A 5 -14.593 36.939 6.921 1.00 0.00 H ATOM 74 N ALA A 6 -12.731 36.904 3.930 1.00 0.26 N ATOM 75 CA ALA A 6 -12.257 36.900 2.547 1.00 0.16 C ATOM 76 C ALA A 6 -12.232 38.323 1.989 1.00 0.26 C ATOM 77 O ALA A 6 -11.421 38.615 1.110 1.00 0.32 O ATOM 78 CB ALA A 6 -13.278 36.110 1.699 1.00 0.25 C ATOM 79 HA ALA A 6 -11.258 36.465 2.514 1.00 0.00 H ATOM 80 HB1 ALA A 6 -13.351 35.090 2.077 1.00 0.00 H ATOM 81 HB2 ALA A 6 -14.253 36.593 1.763 1.00 0.00 H ATOM 82 HB3 ALA A 6 -12.948 36.091 0.660 1.00 0.00 H ATOM 83 H ALA A 6 -13.683 36.527 4.115 1.00 0.00 H ATOM 84 N LYS A 7 -13.139 39.103 2.483 1.00 0.28 N ATOM 85 CA LYS A 7 -13.340 40.518 2.080 1.00 0.25 C ATOM 86 C LYS A 7 -12.184 41.364 2.585 1.00 0.23 C ATOM 87 O LYS A 7 -11.577 42.136 1.871 1.00 0.36 O ATOM 88 CB LYS A 7 -14.646 40.982 2.720 1.00 0.42 C ATOM 89 CG LYS A 7 -15.159 42.207 2.055 1.00 0.37 C ATOM 90 CD LYS A 7 -15.358 43.344 3.045 1.00 0.79 C ATOM 91 CE LYS A 7 -16.423 44.254 2.371 1.00 0.77 C ATOM 92 NZ LYS A 7 -17.052 43.374 1.349 1.00 1.25 N ATOM 93 HA LYS A 7 -13.383 40.616 0.995 1.00 0.00 H ATOM 94 HB2 LYS A 7 -15.389 40.189 2.630 1.00 0.00 H ATOM 95 HB3 LYS A 7 -14.470 41.195 3.774 1.00 0.00 H ATOM 96 HG2 LYS A 7 -14.445 42.522 1.294 1.00 0.00 H ATOM 97 HG3 LYS A 7 -16.114 41.979 1.582 1.00 0.00 H ATOM 98 HD2 LYS A 7 -15.721 42.966 4.001 1.00 0.00 H ATOM 99 HD3 LYS A 7 -14.427 43.889 3.201 1.00 0.00 H ATOM 100 HE2 LYS A 7 -15.954 45.119 1.902 1.00 0.00 H ATOM 101 HE3 LYS A 7 -17.161 44.592 3.099 1.00 0.00 H ATOM 102 HZ1 LYS A 7 -16.327 43.053 0.676 1.00 0.00 H ATOM 103 HZ2 LYS A 7 -17.480 42.550 1.818 1.00 0.00 H ATOM 104 HZ3 LYS A 7 -17.787 43.906 0.841 1.00 0.00 H ATOM 105 H LYS A 7 -13.770 38.712 3.212 1.00 0.00 H ATOM 106 N PHE A 8 -11.774 41.141 3.819 1.00 0.24 N ATOM 107 CA PHE A 8 -10.607 41.787 4.413 1.00 0.28 C ATOM 108 C PHE A 8 -9.327 41.416 3.698 1.00 0.39 C ATOM 109 O PHE A 8 -8.437 42.221 3.445 1.00 0.35 O ATOM 110 CB PHE A 8 -10.521 41.395 5.903 1.00 0.18 C ATOM 111 CG PHE A 8 -9.222 41.902 6.521 1.00 0.17 C ATOM 112 CD1 PHE A 8 -8.014 41.212 6.373 1.00 0.27 C ATOM 113 CD2 PHE A 8 -9.199 43.068 7.292 1.00 0.26 C ATOM 114 CE1 PHE A 8 -6.774 41.613 6.990 1.00 0.29 C ATOM 115 CE2 PHE A 8 -8.000 43.511 7.892 1.00 0.21 C ATOM 116 CZ PHE A 8 -6.805 42.827 7.728 1.00 0.33 C ATOM 117 HA PHE A 8 -10.725 42.866 4.314 1.00 0.00 H ATOM 118 HB2 PHE A 8 -11.365 41.831 6.437 1.00 0.00 H ATOM 119 HB3 PHE A 8 -10.559 40.309 5.990 1.00 0.00 H ATOM 120 HD2 PHE A 8 -10.116 43.641 7.431 1.00 0.00 H ATOM 121 HE2 PHE A 8 -8.014 44.415 8.501 1.00 0.00 H ATOM 122 HZ PHE A 8 -5.888 43.221 8.166 1.00 0.00 H ATOM 123 HE1 PHE A 8 -5.865 41.019 6.896 1.00 0.00 H ATOM 124 HD1 PHE A 8 -8.010 40.316 5.753 1.00 0.00 H ATOM 125 H PHE A 8 -12.312 40.468 4.401 1.00 0.00 H ATOM 126 N GLU A 9 -9.110 40.144 3.415 1.00 0.30 N ATOM 127 CA GLU A 9 -8.049 39.669 2.569 1.00 0.17 C ATOM 128 C GLU A 9 -8.072 40.354 1.198 1.00 0.30 C ATOM 129 O GLU A 9 -7.040 40.765 0.690 1.00 0.36 O ATOM 130 CB GLU A 9 -8.174 38.161 2.340 1.00 0.30 C ATOM 131 CG GLU A 9 -7.746 37.391 3.550 1.00 0.28 C ATOM 132 CD GLU A 9 -8.282 35.966 3.498 1.00 0.32 C ATOM 133 OE1 GLU A 9 -8.897 35.538 2.531 1.00 0.38 O ATOM 134 OE2 GLU A 9 -8.118 35.228 4.481 1.00 0.38 O ATOM 135 HA GLU A 9 -7.114 39.902 3.079 1.00 0.00 H ATOM 136 HB2 GLU A 9 -9.213 37.920 2.115 1.00 0.00 H ATOM 137 HB3 GLU A 9 -7.545 37.876 1.496 1.00 0.00 H ATOM 138 HG2 GLU A 9 -6.657 37.363 3.590 1.00 0.00 H ATOM 139 HG3 GLU A 9 -8.129 37.885 4.443 1.00 0.00 H ATOM 140 H GLU A 9 -9.750 39.438 3.832 1.00 0.00 H ATOM 141 N ARG A 10 -9.204 40.413 0.527 1.00 0.29 N ATOM 142 CA ARG A 10 -9.218 41.062 -0.791 1.00 0.42 C ATOM 143 C ARG A 10 -8.889 42.542 -0.677 1.00 0.45 C ATOM 144 O ARG A 10 -8.096 43.027 -1.527 1.00 0.32 O ATOM 145 CB ARG A 10 -10.573 40.851 -1.461 1.00 0.33 C ATOM 146 CG ARG A 10 -10.583 41.381 -2.909 1.00 0.28 C ATOM 147 CD ARG A 10 -11.962 41.300 -3.524 1.00 0.33 C ATOM 148 NE ARG A 10 -13.044 41.503 -2.517 1.00 0.40 N ATOM 149 CZ ARG A 10 -13.727 42.667 -2.539 1.00 0.32 C ATOM 150 NH1 ARG A 10 -13.266 43.686 -3.246 1.00 0.41 N ATOM 151 NH2 ARG A 10 -14.798 42.908 -1.795 1.00 0.40 N ATOM 152 HA ARG A 10 -8.448 40.604 -1.411 1.00 0.00 H ATOM 153 HB2 ARG A 10 -10.799 39.785 -1.473 1.00 0.00 H ATOM 154 HB3 ARG A 10 -11.337 41.376 -0.887 1.00 0.00 H ATOM 155 HG2 ARG A 10 -10.257 42.421 -2.907 1.00 0.00 H ATOM 156 HG3 ARG A 10 -9.893 40.787 -3.508 1.00 0.00 H ATOM 157 HD2 ARG A 10 -12.086 40.317 -3.979 1.00 0.00 H ATOM 158 HD3 ARG A 10 -12.049 42.068 -4.292 1.00 0.00 H ATOM 159 HE ARG A 10 -13.266 40.767 -1.817 1.00 0.00 H ATOM 160 HH12 ARG A 10 -13.789 44.584 -3.265 1.00 0.00 H ATOM 161 HH11 ARG A 10 -12.380 43.588 -3.782 1.00 0.00 H ATOM 162 HH22 ARG A 10 -15.280 43.828 -1.859 1.00 0.00 H ATOM 163 HH21 ARG A 10 -15.156 42.177 -1.147 1.00 0.00 H ATOM 164 H ARG A 10 -10.075 40.006 0.924 1.00 0.00 H ATOM 165 N GLN A 11 -9.327 43.253 0.343 1.00 0.35 N ATOM 166 CA GLN A 11 -9.116 44.680 0.561 1.00 0.22 C ATOM 167 C GLN A 11 -7.759 45.094 1.002 1.00 0.24 C ATOM 168 O GLN A 11 -7.222 46.181 0.671 1.00 0.28 O ATOM 169 CB GLN A 11 -10.231 45.363 1.281 1.00 0.19 C ATOM 170 CG GLN A 11 -11.631 44.995 0.799 1.00 0.26 C ATOM 171 CD GLN A 11 -12.631 45.876 1.584 1.00 0.25 C ATOM 172 OE1 GLN A 11 -13.166 46.902 0.972 1.00 0.45 O ATOM 173 NE2 GLN A 11 -12.769 45.697 2.867 1.00 0.30 N ATOM 174 HA GLN A 11 -9.151 45.071 -0.456 1.00 0.00 H ATOM 175 HB2 GLN A 11 -10.159 45.106 2.338 1.00 0.00 H ATOM 176 HB3 GLN A 11 -10.103 46.439 1.160 1.00 0.00 H ATOM 177 HG2 GLN A 11 -11.721 45.189 -0.270 1.00 0.00 H ATOM 178 HG3 GLN A 11 -11.828 43.941 0.994 1.00 0.00 H ATOM 179 HE22 GLN A 11 -12.333 44.872 3.327 1.00 0.00 H ATOM 180 HE21 GLN A 11 -13.315 46.379 3.431 1.00 0.00 H ATOM 181 H GLN A 11 -9.878 42.746 1.065 1.00 0.00 H ATOM 182 N HIS A 12 -7.028 44.297 1.748 1.00 0.22 N ATOM 183 CA HIS A 12 -5.985 44.777 2.658 1.00 0.27 C ATOM 184 C HIS A 12 -4.721 43.926 2.505 1.00 0.33 C ATOM 185 O HIS A 12 -3.677 44.410 2.857 1.00 0.29 O ATOM 186 CB HIS A 12 -6.466 44.592 4.137 1.00 0.17 C ATOM 187 CG HIS A 12 -7.594 45.641 4.348 1.00 0.12 C ATOM 188 ND1 HIS A 12 -7.479 46.995 4.022 1.00 0.25 N ATOM 189 CD2 HIS A 12 -8.895 45.342 4.674 1.00 0.33 C ATOM 190 CE1 HIS A 12 -8.720 47.572 4.284 1.00 0.17 C ATOM 191 NE2 HIS A 12 -9.530 46.542 4.686 1.00 0.26 N ATOM 192 HA HIS A 12 -5.783 45.822 2.425 1.00 0.00 H ATOM 193 HB2 HIS A 12 -6.851 43.584 4.288 1.00 0.00 H ATOM 194 HB3 HIS A 12 -5.644 44.773 4.830 1.00 0.00 H ATOM 195 HD2 HIS A 12 -9.322 44.360 4.878 1.00 0.00 H ATOM 196 HE1 HIS A 12 -8.990 48.624 4.189 1.00 0.00 H ATOM 197 H HIS A 12 -7.199 43.273 1.690 1.00 0.00 H ATOM 198 N MET A 13 -4.756 42.724 1.936 1.00 0.30 N ATOM 199 CA MET A 13 -3.533 41.894 1.889 1.00 0.29 C ATOM 200 C MET A 13 -2.782 42.074 0.594 1.00 0.23 C ATOM 201 O MET A 13 -3.348 41.848 -0.510 1.00 0.31 O ATOM 202 CB MET A 13 -3.862 40.447 2.148 1.00 0.33 C ATOM 203 CG MET A 13 -4.431 40.222 3.550 1.00 0.29 C ATOM 204 SD MET A 13 -3.259 40.622 4.841 1.00 0.32 S ATOM 205 CE MET A 13 -1.597 40.036 4.474 1.00 0.23 C ATOM 206 HA MET A 13 -2.869 42.234 2.684 1.00 0.00 H ATOM 207 HB2 MET A 13 -4.598 40.118 1.414 1.00 0.00 H ATOM 208 HB3 MET A 13 -2.953 39.856 2.040 1.00 0.00 H ATOM 209 HG2 MET A 13 -4.714 39.174 3.648 1.00 0.00 H ATOM 210 HG3 MET A 13 -5.314 40.849 3.673 1.00 0.00 H ATOM 211 HE1 MET A 13 -1.612 38.952 4.359 1.00 0.00 H ATOM 212 HE2 MET A 13 -1.247 40.495 3.550 1.00 0.00 H ATOM 213 HE3 MET A 13 -0.929 40.307 5.292 1.00 0.00 H ATOM 214 H MET A 13 -5.643 42.368 1.525 1.00 0.00 H ATOM 215 N ASP A 14 -1.528 42.419 0.660 1.00 0.30 N ATOM 216 CA ASP A 14 -0.586 42.453 -0.431 1.00 0.42 C ATOM 217 C ASP A 14 0.744 41.859 -0.094 1.00 0.26 C ATOM 218 O ASP A 14 1.772 42.483 0.031 1.00 0.29 O ATOM 219 CB ASP A 14 -0.474 43.730 -1.208 1.00 0.47 C ATOM 220 CG ASP A 14 0.322 43.545 -2.503 1.00 0.38 C ATOM 221 OD1 ASP A 14 0.754 42.430 -2.828 1.00 0.39 O ATOM 222 OD2 ASP A 14 0.813 44.519 -3.054 1.00 0.33 O ATOM 223 HA ASP A 14 -1.067 41.787 -1.148 1.00 0.00 H ATOM 224 HB2 ASP A 14 -1.476 44.080 -1.457 1.00 0.00 H ATOM 225 HB3 ASP A 14 0.027 44.476 -0.590 1.00 0.00 H ATOM 226 H ASP A 14 -1.169 42.699 1.595 1.00 0.00 H ATOM 227 N SER A 15 0.685 40.546 0.097 1.00 0.28 N ATOM 228 CA SER A 15 1.837 39.806 0.623 1.00 0.22 C ATOM 229 C SER A 15 2.888 39.565 -0.451 1.00 0.34 C ATOM 230 O SER A 15 3.945 38.979 -0.139 1.00 0.79 O ATOM 231 CB SER A 15 1.379 38.500 1.251 1.00 0.37 C ATOM 232 OG SER A 15 -0.068 38.277 0.949 1.00 0.70 O ATOM 233 HA SER A 15 2.307 40.415 1.395 1.00 0.00 H ATOM 234 HB2 SER A 15 1.521 38.547 2.331 1.00 0.00 H ATOM 235 HB3 SER A 15 1.966 37.676 0.844 1.00 0.00 H ATOM 236 HG SER A 15 -0.362 37.426 1.360 1.00 0.00 H ATOM 237 H SER A 15 -0.192 40.035 -0.130 1.00 0.00 H ATOM 238 N SER A 16 2.671 40.016 -1.659 1.00 0.42 N ATOM 239 CA SER A 16 3.385 39.687 -2.901 1.00 0.43 C ATOM 240 C SER A 16 4.527 40.662 -3.133 1.00 0.53 C ATOM 241 O SER A 16 5.607 40.252 -3.577 1.00 0.72 O ATOM 242 CB SER A 16 2.485 39.532 -4.075 1.00 0.67 C ATOM 243 OG SER A 16 2.520 40.533 -5.085 1.00 0.82 O ATOM 244 HA SER A 16 3.826 38.698 -2.775 1.00 0.00 H ATOM 245 HB2 SER A 16 1.464 39.490 -3.696 1.00 0.00 H ATOM 246 HB3 SER A 16 2.734 38.583 -4.551 1.00 0.00 H ATOM 247 HG SER A 16 1.875 40.302 -5.799 1.00 0.00 H ATOM 248 H SER A 16 1.891 40.697 -1.753 1.00 0.00 H ATOM 249 N THR A 17 4.334 41.912 -2.764 1.00 0.55 N ATOM 250 CA THR A 17 5.350 42.952 -2.640 1.00 0.22 C ATOM 251 C THR A 17 5.598 43.233 -1.141 1.00 0.47 C ATOM 252 O THR A 17 4.735 43.036 -0.300 1.00 0.55 O ATOM 253 CB THR A 17 4.938 44.229 -3.330 1.00 0.45 C ATOM 254 OG1 THR A 17 3.588 44.581 -2.994 1.00 0.55 O ATOM 255 CG2 THR A 17 5.063 44.132 -4.811 1.00 1.44 C ATOM 256 HA THR A 17 6.261 42.597 -3.122 1.00 0.00 H ATOM 257 HB THR A 17 5.618 45.005 -2.977 1.00 0.00 H ATOM 258 HG1 THR A 17 3.516 44.710 -2.015 1.00 0.00 H ATOM 259 HG23 THR A 17 6.087 43.865 -5.071 1.00 0.00 H ATOM 260 HG21 THR A 17 4.381 43.367 -5.183 1.00 0.00 H ATOM 261 HG22 THR A 17 4.812 45.093 -5.259 1.00 0.00 H ATOM 262 H THR A 17 3.357 42.186 -2.538 1.00 0.00 H ATOM 263 N SER A 18 6.801 43.649 -0.893 1.00 0.37 N ATOM 264 CA SER A 18 7.416 44.079 0.352 1.00 0.31 C ATOM 265 C SER A 18 7.093 45.555 0.630 1.00 0.31 C ATOM 266 O SER A 18 7.171 45.988 1.784 1.00 0.38 O ATOM 267 CB SER A 18 8.958 43.967 0.200 1.00 0.40 C ATOM 268 OG SER A 18 9.332 44.357 -1.123 1.00 1.37 O ATOM 269 HA SER A 18 7.039 43.457 1.164 1.00 0.00 H ATOM 270 HB2 SER A 18 9.268 42.937 0.378 1.00 0.00 H ATOM 271 HB3 SER A 18 9.444 44.621 0.924 1.00 0.00 H ATOM 272 HG SER A 18 10.315 44.286 -1.221 1.00 0.00 H ATOM 273 H SER A 18 7.429 43.680 -1.721 1.00 0.00 H ATOM 274 N ALA A 19 6.809 46.286 -0.400 1.00 0.34 N ATOM 275 CA ALA A 19 6.529 47.724 -0.430 1.00 0.27 C ATOM 276 C ALA A 19 6.101 48.130 -1.844 1.00 0.59 C ATOM 277 O ALA A 19 6.570 47.484 -2.796 1.00 0.53 O ATOM 278 CB ALA A 19 7.785 48.472 -0.001 1.00 0.28 C ATOM 279 HA ALA A 19 5.718 47.972 0.254 1.00 0.00 H ATOM 280 HB1 ALA A 19 8.061 48.168 1.009 1.00 0.00 H ATOM 281 HB2 ALA A 19 8.599 48.237 -0.687 1.00 0.00 H ATOM 282 HB3 ALA A 19 7.591 49.545 -0.019 1.00 0.00 H ATOM 283 H ALA A 19 6.776 45.794 -1.316 1.00 0.00 H ATOM 284 N ALA A 20 5.175 49.056 -1.936 1.00 0.44 N ATOM 285 CA ALA A 20 4.940 50.048 -2.947 1.00 0.54 C ATOM 286 C ALA A 20 6.205 50.783 -3.395 1.00 0.75 C ATOM 287 O ALA A 20 6.651 51.734 -2.732 1.00 0.78 O ATOM 288 CB ALA A 20 3.884 51.046 -2.528 1.00 0.33 C ATOM 289 HA ALA A 20 4.575 49.487 -3.807 1.00 0.00 H ATOM 290 HB1 ALA A 20 2.946 50.523 -2.339 1.00 0.00 H ATOM 291 HB2 ALA A 20 4.207 51.555 -1.620 1.00 0.00 H ATOM 292 HB3 ALA A 20 3.740 51.777 -3.324 1.00 0.00 H ATOM 293 H ALA A 20 4.500 49.074 -1.145 1.00 0.00 H ATOM 294 N SER A 21 6.712 50.438 -4.530 1.00 0.66 N ATOM 295 CA SER A 21 7.716 50.936 -5.428 1.00 1.42 C ATOM 296 C SER A 21 7.340 52.186 -6.198 1.00 1.14 C ATOM 297 O SER A 21 8.187 53.100 -6.330 1.00 1.42 O ATOM 298 CB SER A 21 8.231 49.868 -6.377 1.00 1.25 C ATOM 299 OG SER A 21 7.490 49.845 -7.607 1.00 1.42 O ATOM 300 HA SER A 21 8.521 51.234 -4.756 1.00 0.00 H ATOM 301 HB2 SER A 21 8.144 48.895 -5.894 1.00 0.00 H ATOM 302 HB3 SER A 21 9.279 50.069 -6.600 1.00 0.00 H ATOM 303 HG SER A 21 6.538 49.657 -7.414 1.00 0.00 H ATOM 304 H SER A 21 6.277 49.565 -4.892 1.00 0.00 H ATOM 305 N SER A 22 6.170 52.274 -6.765 1.00 0.96 N ATOM 306 CA SER A 22 5.593 53.306 -7.573 1.00 0.56 C ATOM 307 C SER A 22 4.514 54.125 -6.910 1.00 0.46 C ATOM 308 O SER A 22 3.760 53.739 -6.019 1.00 0.70 O ATOM 309 CB SER A 22 5.242 52.891 -8.970 1.00 0.95 C ATOM 310 OG SER A 22 4.030 52.173 -9.125 1.00 0.89 O ATOM 311 HA SER A 22 6.427 53.999 -7.683 1.00 0.00 H ATOM 312 HB2 SER A 22 6.051 52.263 -9.343 1.00 0.00 H ATOM 313 HB3 SER A 22 5.174 53.793 -9.578 1.00 0.00 H ATOM 314 HG SER A 22 4.072 51.338 -8.594 1.00 0.00 H ATOM 315 H SER A 22 5.550 51.455 -6.603 1.00 0.00 H ATOM 316 N SER A 23 4.392 55.367 -7.366 1.00 0.38 N ATOM 317 CA SER A 23 3.330 56.321 -7.020 1.00 0.55 C ATOM 318 C SER A 23 2.002 55.849 -7.618 1.00 0.38 C ATOM 319 O SER A 23 0.950 56.326 -7.255 1.00 0.49 O ATOM 320 CB SER A 23 3.684 57.678 -7.670 1.00 0.41 C ATOM 321 OG SER A 23 3.447 57.554 -9.092 1.00 0.92 O ATOM 322 HA SER A 23 3.242 56.404 -5.937 1.00 0.00 H ATOM 323 HB2 SER A 23 4.732 57.917 -7.486 1.00 0.00 H ATOM 324 HB3 SER A 23 3.055 58.465 -7.255 1.00 0.00 H ATOM 325 HG SER A 23 3.666 58.411 -9.538 1.00 0.00 H ATOM 326 H SER A 23 5.119 55.696 -8.033 1.00 0.00 H ATOM 327 N ASN A 24 2.163 54.959 -8.600 1.00 0.26 N ATOM 328 CA ASN A 24 1.092 54.327 -9.307 1.00 0.50 C ATOM 329 C ASN A 24 0.481 53.160 -8.559 1.00 0.39 C ATOM 330 O ASN A 24 -0.574 52.725 -9.025 1.00 0.35 O ATOM 331 CB ASN A 24 1.572 53.778 -10.686 1.00 0.45 C ATOM 332 CG ASN A 24 0.854 54.766 -11.649 1.00 0.67 C ATOM 333 OD1 ASN A 24 1.599 55.624 -12.294 1.00 1.38 O ATOM 334 ND2 ASN A 24 -0.449 54.824 -11.609 1.00 1.25 N ATOM 335 HA ASN A 24 0.342 55.109 -9.426 1.00 0.00 H ATOM 336 HB2 ASN A 24 2.656 53.833 -10.787 1.00 0.00 H ATOM 337 HB3 ASN A 24 1.246 52.750 -10.846 1.00 0.00 H ATOM 338 HD22 ASN A 24 -0.985 54.109 -11.077 1.00 0.00 H ATOM 339 HD21 ASN A 24 -0.951 55.585 -12.109 1.00 0.00 H ATOM 340 H ASN A 24 3.135 54.708 -8.870 1.00 0.00 H ATOM 341 N TYR A 25 1.119 52.716 -7.500 1.00 0.33 N ATOM 342 CA TYR A 25 0.692 51.579 -6.696 1.00 0.32 C ATOM 343 C TYR A 25 -0.755 51.614 -6.328 1.00 0.35 C ATOM 344 O TYR A 25 -1.494 50.651 -6.603 1.00 0.33 O ATOM 345 CB TYR A 25 1.611 51.269 -5.560 1.00 0.29 C ATOM 346 CG TYR A 25 1.159 50.069 -4.716 1.00 0.32 C ATOM 347 CD1 TYR A 25 0.162 50.263 -3.734 1.00 0.25 C ATOM 348 CD2 TYR A 25 1.707 48.811 -4.898 1.00 0.41 C ATOM 349 CE1 TYR A 25 -0.264 49.187 -2.960 1.00 0.27 C ATOM 350 CE2 TYR A 25 1.307 47.721 -4.097 1.00 0.29 C ATOM 351 CZ TYR A 25 0.322 47.936 -3.114 1.00 0.28 C ATOM 352 OH TYR A 25 -0.116 46.885 -2.353 1.00 0.33 O ATOM 353 HA TYR A 25 0.780 50.715 -7.355 1.00 0.00 H ATOM 354 HB3 TYR A 25 1.668 52.144 -4.913 1.00 0.00 H ATOM 355 HB2 TYR A 25 2.600 51.053 -5.965 1.00 0.00 H ATOM 356 HD2 TYR A 25 2.459 48.660 -5.672 1.00 0.00 H ATOM 357 HE2 TYR A 25 1.750 46.735 -4.236 1.00 0.00 H ATOM 358 HE1 TYR A 25 -1.061 49.326 -2.230 1.00 0.00 H ATOM 359 HD1 TYR A 25 -0.272 51.251 -3.583 1.00 0.00 H ATOM 360 HH TYR A 25 -0.508 46.193 -2.943 1.00 0.00 H ATOM 361 H TYR A 25 1.989 53.210 -7.216 1.00 0.00 H ATOM 362 N CYS A 26 -1.272 52.742 -5.844 1.00 0.31 N ATOM 363 CA CYS A 26 -2.658 52.777 -5.391 1.00 0.25 C ATOM 364 C CYS A 26 -3.658 52.664 -6.480 1.00 0.27 C ATOM 365 O CYS A 26 -4.668 51.942 -6.447 1.00 0.41 O ATOM 366 CB CYS A 26 -2.923 53.970 -4.479 1.00 0.31 C ATOM 367 SG CYS A 26 -2.127 53.632 -2.853 1.00 0.31 S ATOM 368 HA CYS A 26 -2.793 51.872 -4.798 1.00 0.00 H ATOM 369 HB2 CYS A 26 -3.997 54.102 -4.345 1.00 0.00 H ATOM 370 HB3 CYS A 26 -2.499 54.873 -4.918 1.00 0.00 H ATOM 371 HG CYS A 26 -1.052 52.883 -3.286 1.00 0.00 H ATOM 372 H CYS A 26 -0.686 53.600 -5.789 1.00 0.00 H ATOM 373 N ASN A 27 -3.435 53.424 -7.512 1.00 0.33 N ATOM 374 CA ASN A 27 -4.235 53.363 -8.745 1.00 0.45 C ATOM 375 C ASN A 27 -4.426 51.965 -9.276 1.00 0.27 C ATOM 376 O ASN A 27 -5.562 51.497 -9.488 1.00 0.31 O ATOM 377 CB ASN A 27 -3.541 54.230 -9.803 1.00 0.52 C ATOM 378 CG ASN A 27 -3.658 55.716 -9.413 1.00 0.44 C ATOM 379 OD1 ASN A 27 -2.636 56.532 -9.578 1.00 1.41 O ATOM 380 ND2 ASN A 27 -4.781 56.134 -8.856 1.00 0.29 N ATOM 381 HA ASN A 27 -5.234 53.731 -8.511 1.00 0.00 H ATOM 382 HB2 ASN A 27 -2.489 53.953 -9.866 1.00 0.00 H ATOM 383 HB3 ASN A 27 -4.016 54.070 -10.771 1.00 0.00 H ATOM 384 HD22 ASN A 27 -5.577 55.476 -8.734 1.00 0.00 H ATOM 385 HD21 ASN A 27 -4.869 57.121 -8.540 1.00 0.00 H ATOM 386 H ASN A 27 -2.653 54.108 -7.463 1.00 0.00 H ATOM 387 N GLN A 28 -3.365 51.191 -9.408 1.00 0.32 N ATOM 388 CA GLN A 28 -3.501 49.820 -9.948 1.00 0.27 C ATOM 389 C GLN A 28 -4.177 48.925 -8.930 1.00 0.34 C ATOM 390 O GLN A 28 -5.060 48.172 -9.278 1.00 0.49 O ATOM 391 CB GLN A 28 -2.099 49.249 -10.259 1.00 0.29 C ATOM 392 CG GLN A 28 -1.384 50.036 -11.331 1.00 1.02 C ATOM 393 CD GLN A 28 0.119 50.158 -11.070 1.00 1.43 C ATOM 394 OE1 GLN A 28 0.817 51.150 -11.644 1.00 1.43 O ATOM 395 NE2 GLN A 28 0.731 49.295 -10.258 1.00 1.29 N ATOM 396 HA GLN A 28 -4.102 49.857 -10.857 1.00 0.00 H ATOM 397 HB2 GLN A 28 -1.501 49.273 -9.348 1.00 0.00 H ATOM 398 HB3 GLN A 28 -2.207 48.217 -10.594 1.00 0.00 H ATOM 399 HG2 GLN A 28 -1.533 49.537 -12.288 1.00 0.00 H ATOM 400 HG3 GLN A 28 -1.813 51.037 -11.374 1.00 0.00 H ATOM 401 HE22 GLN A 28 0.190 48.526 -9.813 1.00 0.00 H ATOM 402 HE21 GLN A 28 1.749 49.391 -10.070 1.00 0.00 H ATOM 403 H GLN A 28 -2.428 51.547 -9.131 1.00 0.00 H ATOM 404 N MET A 29 -3.796 48.987 -7.652 1.00 0.42 N ATOM 405 CA MET A 29 -4.370 48.025 -6.678 1.00 0.16 C ATOM 406 C MET A 29 -5.781 48.275 -6.376 1.00 0.13 C ATOM 407 O MET A 29 -6.564 47.425 -6.016 1.00 0.39 O ATOM 408 CB MET A 29 -3.519 48.003 -5.424 1.00 0.27 C ATOM 409 CG MET A 29 -2.202 47.328 -5.911 1.00 0.25 C ATOM 410 SD MET A 29 -2.490 45.531 -5.770 1.00 0.48 S ATOM 411 CE MET A 29 -3.139 45.189 -4.090 1.00 0.37 C ATOM 412 HA MET A 29 -4.351 47.038 -7.141 1.00 0.00 H ATOM 413 HB2 MET A 29 -3.331 49.013 -5.059 1.00 0.00 H ATOM 414 HB3 MET A 29 -3.994 47.416 -4.638 1.00 0.00 H ATOM 415 HG2 MET A 29 -1.364 47.630 -5.282 1.00 0.00 H ATOM 416 HG3 MET A 29 -1.995 47.600 -6.946 1.00 0.00 H ATOM 417 HE1 MET A 29 -2.410 45.513 -3.347 1.00 0.00 H ATOM 418 HE2 MET A 29 -4.073 45.732 -3.945 1.00 0.00 H ATOM 419 HE3 MET A 29 -3.319 44.119 -3.982 1.00 0.00 H ATOM 420 H MET A 29 -3.106 49.701 -7.343 1.00 0.00 H ATOM 421 N MET A 30 -6.144 49.588 -6.473 1.00 0.26 N ATOM 422 CA MET A 30 -7.524 49.841 -5.947 1.00 0.19 C ATOM 423 C MET A 30 -8.522 49.272 -6.957 1.00 0.50 C ATOM 424 O MET A 30 -9.551 48.718 -6.665 1.00 0.40 O ATOM 425 CB MET A 30 -7.704 51.372 -5.897 1.00 0.30 C ATOM 426 CG MET A 30 -6.894 51.892 -4.693 1.00 0.34 C ATOM 427 SD MET A 30 -7.595 51.214 -3.142 1.00 0.31 S ATOM 428 CE MET A 30 -9.206 51.894 -2.812 1.00 0.25 C ATOM 429 HA MET A 30 -7.676 49.389 -4.967 1.00 0.00 H ATOM 430 HB2 MET A 30 -7.333 51.821 -6.818 1.00 0.00 H ATOM 431 HB3 MET A 30 -8.758 51.620 -5.772 1.00 0.00 H ATOM 432 HG2 MET A 30 -6.941 52.981 -4.667 1.00 0.00 H ATOM 433 HG3 MET A 30 -5.855 51.576 -4.791 1.00 0.00 H ATOM 434 HE1 MET A 30 -9.129 52.977 -2.715 1.00 0.00 H ATOM 435 HE2 MET A 30 -9.878 51.648 -3.634 1.00 0.00 H ATOM 436 HE3 MET A 30 -9.594 51.472 -1.885 1.00 0.00 H ATOM 437 H MET A 30 -5.531 50.330 -6.868 1.00 0.00 H ATOM 438 N LYS A 31 -8.007 49.325 -8.171 1.00 0.41 N ATOM 439 CA LYS A 31 -8.819 48.982 -9.362 1.00 0.55 C ATOM 440 C LYS A 31 -8.892 47.455 -9.471 1.00 0.37 C ATOM 441 O LYS A 31 -9.926 46.818 -9.451 1.00 0.48 O ATOM 442 CB LYS A 31 -8.081 49.553 -10.572 1.00 0.74 C ATOM 443 CG LYS A 31 -8.607 49.023 -11.869 1.00 1.32 C ATOM 444 CD LYS A 31 -9.035 50.147 -12.795 1.00 0.84 C ATOM 445 CE LYS A 31 -10.548 50.085 -13.016 1.00 1.38 C ATOM 446 NZ LYS A 31 -10.883 49.638 -14.382 1.00 1.37 N ATOM 447 HA LYS A 31 -9.830 49.384 -9.301 1.00 0.00 H ATOM 448 HB2 LYS A 31 -8.190 50.638 -10.568 1.00 0.00 H ATOM 449 HB3 LYS A 31 -7.025 49.295 -10.491 1.00 0.00 H ATOM 450 HG2 LYS A 31 -7.826 48.440 -12.357 1.00 0.00 H ATOM 451 HG3 LYS A 31 -9.466 48.382 -11.668 1.00 0.00 H ATOM 452 HD2 LYS A 31 -8.773 51.106 -12.347 1.00 0.00 H ATOM 453 HD3 LYS A 31 -8.524 50.043 -13.752 1.00 0.00 H ATOM 454 HE2 LYS A 31 -10.970 51.077 -12.856 1.00 0.00 H ATOM 455 HE3 LYS A 31 -10.982 49.387 -12.300 1.00 0.00 H ATOM 456 HZ1 LYS A 31 -10.478 50.302 -15.072 1.00 0.00 H ATOM 457 HZ2 LYS A 31 -10.489 48.689 -14.541 1.00 0.00 H ATOM 458 HZ3 LYS A 31 -11.917 49.609 -14.492 1.00 0.00 H ATOM 459 H LYS A 31 -7.015 49.612 -8.294 1.00 0.00 H ATOM 460 N SER A 32 -7.747 46.858 -9.420 1.00 0.32 N ATOM 461 CA SER A 32 -7.421 45.477 -9.347 1.00 0.39 C ATOM 462 C SER A 32 -8.000 44.656 -8.262 1.00 0.54 C ATOM 463 O SER A 32 -8.219 43.413 -8.463 1.00 0.47 O ATOM 464 CB SER A 32 -6.003 45.182 -9.716 1.00 0.31 C ATOM 465 OG SER A 32 -5.143 44.687 -8.760 1.00 0.50 O ATOM 466 HA SER A 32 -8.029 45.070 -10.155 1.00 0.00 H ATOM 467 HB2 SER A 32 -5.570 46.113 -10.081 1.00 0.00 H ATOM 468 HB3 SER A 32 -6.031 44.453 -10.526 1.00 0.00 H ATOM 469 HG SER A 32 -5.491 43.826 -8.419 1.00 0.00 H ATOM 470 H SER A 32 -6.926 47.496 -9.435 1.00 0.00 H ATOM 471 N ARG A 33 -8.238 45.167 -7.070 1.00 0.49 N ATOM 472 CA ARG A 33 -8.948 44.395 -6.013 1.00 0.41 C ATOM 473 C ARG A 33 -10.410 44.814 -6.012 1.00 0.37 C ATOM 474 O ARG A 33 -11.214 44.388 -5.230 1.00 0.51 O ATOM 475 CB ARG A 33 -8.324 44.774 -4.647 1.00 0.26 C ATOM 476 CG ARG A 33 -6.896 44.207 -4.649 1.00 0.23 C ATOM 477 CD ARG A 33 -6.911 42.714 -4.721 1.00 0.20 C ATOM 478 NE ARG A 33 -5.570 42.139 -4.523 1.00 0.28 N ATOM 479 CZ ARG A 33 -4.918 41.962 -3.392 1.00 0.37 C ATOM 480 NH1 ARG A 33 -5.462 42.210 -2.186 1.00 0.26 N ATOM 481 NH2 ARG A 33 -3.621 41.590 -3.381 1.00 0.26 N ATOM 482 HA ARG A 33 -8.864 43.323 -6.191 1.00 0.00 H ATOM 483 HB2 ARG A 33 -8.299 45.858 -4.531 1.00 0.00 H ATOM 484 HB3 ARG A 33 -8.903 44.336 -3.834 1.00 0.00 H ATOM 485 HG2 ARG A 33 -6.358 44.600 -5.511 1.00 0.00 H ATOM 486 HG3 ARG A 33 -6.389 44.515 -3.734 1.00 0.00 H ATOM 487 HD2 ARG A 33 -7.283 42.412 -5.700 1.00 0.00 H ATOM 488 HD3 ARG A 33 -7.576 42.331 -3.947 1.00 0.00 H ATOM 489 HE ARG A 33 -5.075 41.834 -5.385 1.00 0.00 H ATOM 490 HH12 ARG A 33 -4.905 42.054 -1.322 1.00 0.00 H ATOM 491 HH11 ARG A 33 -6.440 42.558 -2.118 1.00 0.00 H ATOM 492 HH22 ARG A 33 -3.126 41.456 -2.476 1.00 0.00 H ATOM 493 HH21 ARG A 33 -3.116 41.437 -4.277 1.00 0.00 H ATOM 494 H ARG A 33 -7.921 46.136 -6.862 1.00 0.00 H ATOM 495 N ASN A 34 -10.802 45.671 -6.959 1.00 0.40 N ATOM 496 CA ASN A 34 -12.223 45.738 -7.312 1.00 0.29 C ATOM 497 C ASN A 34 -12.910 46.720 -6.386 1.00 0.25 C ATOM 498 O ASN A 34 -14.077 46.578 -6.025 1.00 0.54 O ATOM 499 CB ASN A 34 -12.899 44.380 -7.252 1.00 0.55 C ATOM 500 CG ASN A 34 -12.518 43.510 -8.473 1.00 0.51 C ATOM 501 OD1 ASN A 34 -12.387 44.045 -9.670 1.00 0.87 O ATOM 502 ND2 ASN A 34 -12.242 42.217 -8.317 1.00 0.84 N ATOM 503 HA ASN A 34 -12.305 46.076 -8.345 1.00 0.00 H ATOM 504 HB2 ASN A 34 -12.590 43.869 -6.340 1.00 0.00 H ATOM 505 HB3 ASN A 34 -13.980 44.521 -7.239 1.00 0.00 H ATOM 506 HD22 ASN A 34 -12.338 41.774 -7.381 1.00 0.00 H ATOM 507 HD21 ASN A 34 -11.930 41.650 -9.131 1.00 0.00 H ATOM 508 H ASN A 34 -10.110 46.281 -7.438 1.00 0.00 H ATOM 509 N LEU A 35 -12.112 47.751 -6.096 1.00 0.35 N ATOM 510 CA LEU A 35 -12.501 48.701 -5.043 1.00 0.62 C ATOM 511 C LEU A 35 -12.961 50.036 -5.632 1.00 0.50 C ATOM 512 O LEU A 35 -13.484 50.837 -4.848 1.00 0.52 O ATOM 513 CB LEU A 35 -11.383 48.924 -4.045 1.00 0.37 C ATOM 514 CG LEU A 35 -10.868 47.729 -3.347 1.00 0.35 C ATOM 515 CD1 LEU A 35 -9.552 47.805 -2.658 1.00 0.41 C ATOM 516 CD2 LEU A 35 -11.865 46.821 -2.687 1.00 0.47 C ATOM 517 HA LEU A 35 -13.342 48.253 -4.513 1.00 0.00 H ATOM 518 HB2 LEU A 35 -10.549 49.380 -4.579 1.00 0.00 H ATOM 519 HB3 LEU A 35 -11.750 49.617 -3.288 1.00 0.00 H ATOM 520 HG LEU A 35 -10.598 47.190 -4.255 1.00 0.00 H ATOM 521 HD21 LEU A 35 -12.417 47.379 -1.931 1.00 0.00 H ATOM 522 HD22 LEU A 35 -12.558 46.438 -3.436 1.00 0.00 H ATOM 523 HD23 LEU A 35 -11.341 45.989 -2.216 1.00 0.00 H ATOM 524 HD11 LEU A 35 -8.777 48.053 -3.384 1.00 0.00 H ATOM 525 HD12 LEU A 35 -9.590 48.576 -1.888 1.00 0.00 H ATOM 526 HD13 LEU A 35 -9.327 46.842 -2.199 1.00 0.00 H ATOM 527 H LEU A 35 -11.219 47.881 -6.613 1.00 0.00 H ATOM 528 N THR A 36 -12.806 50.270 -6.922 1.00 0.55 N ATOM 529 CA THR A 36 -13.240 51.448 -7.662 1.00 0.56 C ATOM 530 C THR A 36 -14.481 51.150 -8.516 1.00 0.75 C ATOM 531 O THR A 36 -14.891 52.012 -9.319 1.00 0.71 O ATOM 532 CB THR A 36 -12.148 51.996 -8.550 1.00 0.40 C ATOM 533 OG1 THR A 36 -11.677 50.994 -9.453 1.00 0.58 O ATOM 534 CG2 THR A 36 -10.976 52.432 -7.706 1.00 0.74 C ATOM 535 HA THR A 36 -13.490 52.200 -6.914 1.00 0.00 H ATOM 536 HB THR A 36 -12.563 52.835 -9.108 1.00 0.00 H ATOM 537 HG1 THR A 36 -10.963 51.375 -10.024 1.00 0.00 H ATOM 538 HG23 THR A 36 -11.301 53.199 -7.003 1.00 0.00 H ATOM 539 HG21 THR A 36 -10.587 51.575 -7.156 1.00 0.00 H ATOM 540 HG22 THR A 36 -10.196 52.836 -8.351 1.00 0.00 H ATOM 541 H THR A 36 -12.320 49.532 -7.471 1.00 0.00 H ATOM 542 N LYS A 37 -15.045 50.013 -8.279 1.00 0.93 N ATOM 543 CA LYS A 37 -16.130 49.331 -8.938 1.00 0.59 C ATOM 544 C LYS A 37 -17.358 50.214 -9.100 1.00 0.71 C ATOM 545 O LYS A 37 -17.657 50.629 -10.211 1.00 0.84 O ATOM 546 CB LYS A 37 -16.527 48.057 -8.190 1.00 1.30 C ATOM 547 CG LYS A 37 -16.292 46.849 -9.077 1.00 1.40 C ATOM 548 CD LYS A 37 -17.578 46.340 -9.712 1.00 1.37 C ATOM 549 CE LYS A 37 -17.266 45.576 -11.007 1.00 1.36 C ATOM 550 NZ LYS A 37 -18.429 44.756 -11.429 1.00 1.34 N ATOM 551 HA LYS A 37 -15.759 49.070 -9.929 1.00 0.00 H ATOM 552 HB2 LYS A 37 -15.926 47.965 -7.286 1.00 0.00 H ATOM 553 HB3 LYS A 37 -17.582 48.109 -7.920 1.00 0.00 H ATOM 554 HG2 LYS A 37 -15.595 47.125 -9.868 1.00 0.00 H ATOM 555 HG3 LYS A 37 -15.858 46.051 -8.475 1.00 0.00 H ATOM 556 HD2 LYS A 37 -18.085 45.674 -9.014 1.00 0.00 H ATOM 557 HD3 LYS A 37 -18.226 47.186 -9.940 1.00 0.00 H ATOM 558 HE2 LYS A 37 -16.410 44.923 -10.839 1.00 0.00 H ATOM 559 HE3 LYS A 37 -17.027 46.290 -11.795 1.00 0.00 H ATOM 560 HZ1 LYS A 37 -18.658 44.070 -10.681 1.00 0.00 H ATOM 561 HZ2 LYS A 37 -19.247 45.376 -11.594 1.00 0.00 H ATOM 562 HZ3 LYS A 37 -18.194 44.249 -12.306 1.00 0.00 H ATOM 563 H LYS A 37 -14.645 49.498 -7.469 1.00 0.00 H ATOM 564 N ASP A 38 -18.073 50.445 -8.018 1.00 0.71 N ATOM 565 CA ASP A 38 -19.308 51.242 -8.080 1.00 0.69 C ATOM 566 C ASP A 38 -19.019 52.695 -7.755 1.00 0.72 C ATOM 567 O ASP A 38 -19.859 53.569 -7.994 1.00 1.30 O ATOM 568 CB ASP A 38 -20.340 50.650 -7.133 1.00 1.20 C ATOM 569 HA ASP A 38 -19.712 51.211 -9.092 1.00 0.00 H ATOM 570 HB2 ASP A 38 -20.554 49.623 -7.427 1.00 0.00 H ATOM 571 HB3 ASP A 38 -19.948 50.664 -6.116 1.00 0.00 H ATOM 572 H ASP A 38 -17.759 50.058 -7.105 1.00 0.00 H ATOM 573 N ARG A 39 -17.814 52.969 -7.282 1.00 1.27 N ATOM 574 CA ARG A 39 -17.492 54.220 -6.566 1.00 0.49 C ATOM 575 C ARG A 39 -15.999 54.322 -6.303 1.00 0.60 C ATOM 576 O ARG A 39 -15.308 53.292 -6.440 1.00 0.58 O ATOM 577 CB ARG A 39 -18.263 54.265 -5.255 1.00 0.56 C ATOM 578 CG ARG A 39 -17.652 53.314 -4.226 1.00 1.43 C ATOM 579 CD ARG A 39 -18.119 53.730 -2.817 1.00 1.35 C ATOM 580 NE ARG A 39 -17.284 53.050 -1.809 1.00 1.35 N ATOM 581 CZ ARG A 39 -17.507 53.263 -0.491 1.00 1.39 C ATOM 582 NH1 ARG A 39 -17.999 54.428 -0.066 1.00 1.12 N ATOM 583 NH2 ARG A 39 -17.224 52.276 0.365 1.00 1.39 N ATOM 584 HA ARG A 39 -17.783 55.067 -7.187 1.00 0.00 H ATOM 585 HB2 ARG A 39 -18.237 55.281 -4.861 1.00 0.00 H ATOM 586 HB3 ARG A 39 -19.297 53.974 -5.439 1.00 0.00 H ATOM 587 HG2 ARG A 39 -17.977 52.294 -4.433 1.00 0.00 H ATOM 588 HG3 ARG A 39 -16.565 53.366 -4.281 1.00 0.00 H ATOM 589 HD2 ARG A 39 -19.162 53.445 -2.679 1.00 0.00 H ATOM 590 HD3 ARG A 39 -18.021 54.810 -2.704 1.00 0.00 H ATOM 591 HE ARG A 39 -16.524 52.407 -2.111 1.00 0.00 H ATOM 592 HH12 ARG A 39 -18.167 54.582 0.949 1.00 0.00 H ATOM 593 HH11 ARG A 39 -18.215 55.182 -0.749 1.00 0.00 H ATOM 594 HH22 ARG A 39 -17.384 52.409 1.384 1.00 0.00 H ATOM 595 HH21 ARG A 39 -16.843 51.375 0.012 1.00 0.00 H ATOM 596 H ARG A 39 -17.057 52.270 -7.421 1.00 0.00 H ATOM 597 N CYS A 40 -15.462 55.477 -5.976 1.00 0.59 N ATOM 598 CA CYS A 40 -14.008 55.536 -5.552 1.00 0.32 C ATOM 599 C CYS A 40 -14.029 55.450 -4.009 1.00 0.41 C ATOM 600 O CYS A 40 -14.384 56.443 -3.412 1.00 0.42 O ATOM 601 CB CYS A 40 -13.502 56.969 -5.867 1.00 0.31 C ATOM 602 SG CYS A 40 -13.528 57.274 -7.638 1.00 0.45 S ATOM 603 HA CYS A 40 -13.406 54.765 -6.032 1.00 0.00 H ATOM 604 HB2 CYS A 40 -12.482 57.078 -5.499 1.00 0.00 H ATOM 605 HB3 CYS A 40 -14.146 57.694 -5.369 1.00 0.00 H ATOM 606 HG CYS A 40 -14.903 57.154 -7.629 1.00 0.00 H ATOM 607 H CYS A 40 -16.032 56.346 -6.008 1.00 0.00 H ATOM 608 N LYS A 41 -13.639 54.380 -3.424 1.00 0.46 N ATOM 609 CA LYS A 41 -13.351 54.270 -1.980 1.00 0.29 C ATOM 610 C LYS A 41 -12.360 55.348 -1.552 1.00 0.26 C ATOM 611 O LYS A 41 -11.286 55.419 -2.177 1.00 0.34 O ATOM 612 CB LYS A 41 -12.658 52.892 -1.771 1.00 0.42 C ATOM 613 CG LYS A 41 -13.205 52.153 -0.629 1.00 0.40 C ATOM 614 CD LYS A 41 -12.566 50.861 -0.227 1.00 0.30 C ATOM 615 CE LYS A 41 -12.639 50.789 1.318 1.00 0.27 C ATOM 616 NZ LYS A 41 -11.988 49.621 1.820 1.00 0.46 N ATOM 617 HA LYS A 41 -14.271 54.376 -1.404 1.00 0.00 H ATOM 618 HB2 LYS A 41 -12.793 52.293 -2.672 1.00 0.00 H ATOM 619 HB3 LYS A 41 -11.594 53.058 -1.602 1.00 0.00 H ATOM 620 HG2 LYS A 41 -13.155 52.816 0.234 1.00 0.00 H ATOM 621 HG3 LYS A 41 -14.248 51.936 -0.859 1.00 0.00 H ATOM 622 HD2 LYS A 41 -13.104 50.022 -0.668 1.00 0.00 H ATOM 623 HD3 LYS A 41 -11.527 50.837 -0.556 1.00 0.00 H ATOM 624 HE2 LYS A 41 -13.685 50.770 1.623 1.00 0.00 H ATOM 625 HE3 LYS A 41 -12.156 51.672 1.737 1.00 0.00 H ATOM 626 HZ1 LYS A 41 -12.448 48.774 1.429 1.00 0.00 H ATOM 627 HZ2 LYS A 41 -10.987 49.635 1.538 1.00 0.00 H ATOM 628 HZ3 LYS A 41 -12.057 49.606 2.858 1.00 0.00 H ATOM 629 H LYS A 41 -13.516 53.528 -4.007 1.00 0.00 H ATOM 630 N PRO A 42 -12.614 56.110 -0.491 1.00 0.38 N ATOM 631 CA PRO A 42 -11.753 57.249 -0.143 1.00 0.36 C ATOM 632 C PRO A 42 -10.411 56.804 0.385 1.00 0.26 C ATOM 633 O PRO A 42 -9.411 57.473 0.104 1.00 0.42 O ATOM 634 CB PRO A 42 -12.578 57.924 0.939 1.00 0.26 C ATOM 635 CG PRO A 42 -14.002 57.520 0.733 1.00 0.50 C ATOM 636 CD PRO A 42 -13.954 56.143 0.075 1.00 0.21 C ATOM 637 HA PRO A 42 -11.507 57.890 -0.989 1.00 0.00 H ATOM 638 HD3 PRO A 42 -14.091 55.350 0.810 1.00 0.00 H ATOM 639 HD2 PRO A 42 -14.713 56.051 -0.702 1.00 0.00 H ATOM 640 HG3 PRO A 42 -14.509 58.234 0.084 1.00 0.00 H ATOM 641 HG2 PRO A 42 -14.523 57.466 1.689 1.00 0.00 H ATOM 642 HB2 PRO A 42 -12.238 57.602 1.923 1.00 0.00 H ATOM 643 HB3 PRO A 42 -12.482 59.007 0.860 1.00 0.00 H ATOM 644 N VAL A 43 -10.383 55.782 1.233 1.00 0.33 N ATOM 645 CA VAL A 43 -9.172 55.340 1.960 1.00 0.40 C ATOM 646 C VAL A 43 -9.137 53.814 1.992 1.00 0.29 C ATOM 647 O VAL A 43 -10.153 53.199 2.215 1.00 0.29 O ATOM 648 CB VAL A 43 -9.285 55.832 3.428 1.00 0.33 C ATOM 649 CG1 VAL A 43 -7.996 55.510 4.155 1.00 0.27 C ATOM 650 CG2 VAL A 43 -9.584 57.331 3.636 1.00 0.36 C ATOM 651 HA VAL A 43 -8.281 55.734 1.472 1.00 0.00 H ATOM 652 HB VAL A 43 -10.154 55.305 3.822 1.00 0.00 H ATOM 653 HG11 VAL A 43 -7.831 54.433 4.139 1.00 0.00 H ATOM 654 HG12 VAL A 43 -7.166 56.014 3.660 1.00 0.00 H ATOM 655 HG13 VAL A 43 -8.067 55.853 5.187 1.00 0.00 H ATOM 656 HG21 VAL A 43 -8.789 57.925 3.185 1.00 0.00 H ATOM 657 HG22 VAL A 43 -10.536 57.579 3.166 1.00 0.00 H ATOM 658 HG23 VAL A 43 -9.638 57.545 4.703 1.00 0.00 H ATOM 659 H VAL A 43 -11.267 55.260 1.396 1.00 0.00 H ATOM 660 N ASN A 44 -7.997 53.219 1.704 1.00 0.31 N ATOM 661 CA ASN A 44 -7.861 51.746 1.861 1.00 0.28 C ATOM 662 C ASN A 44 -6.412 51.421 2.175 1.00 0.33 C ATOM 663 O ASN A 44 -5.526 52.018 1.612 1.00 0.25 O ATOM 664 CB ASN A 44 -8.267 51.139 0.502 1.00 0.18 C ATOM 665 CG ASN A 44 -8.374 49.621 0.687 1.00 0.19 C ATOM 666 OD1 ASN A 44 -9.326 49.166 1.431 1.00 0.28 O ATOM 667 ND2 ASN A 44 -7.435 48.814 0.288 1.00 0.13 N ATOM 668 HA ASN A 44 -8.481 51.351 2.666 1.00 0.00 H ATOM 669 HB2 ASN A 44 -9.228 51.544 0.186 1.00 0.00 H ATOM 670 HB3 ASN A 44 -7.512 51.370 -0.249 1.00 0.00 H ATOM 671 HD22 ASN A 44 -6.663 49.170 -0.312 1.00 0.00 H ATOM 672 HD21 ASN A 44 -7.456 47.813 0.569 1.00 0.00 H ATOM 673 H ASN A 44 -7.190 53.781 1.366 1.00 0.00 H ATOM 674 N THR A 45 -6.044 50.615 3.166 1.00 0.26 N ATOM 675 CA THR A 45 -4.666 50.220 3.393 1.00 0.30 C ATOM 676 C THR A 45 -4.316 48.844 2.862 1.00 0.30 C ATOM 677 O THR A 45 -5.081 47.938 3.013 1.00 0.29 O ATOM 678 CB THR A 45 -4.404 50.192 4.926 1.00 0.26 C ATOM 679 OG1 THR A 45 -4.706 51.497 5.387 1.00 0.27 O ATOM 680 CG2 THR A 45 -2.911 49.967 5.151 1.00 0.19 C ATOM 681 HA THR A 45 -4.054 50.947 2.860 1.00 0.00 H ATOM 682 HB THR A 45 -4.986 49.419 5.427 1.00 0.00 H ATOM 683 HG1 THR A 45 -4.557 51.543 6.365 1.00 0.00 H ATOM 684 HG23 THR A 45 -2.639 48.969 4.807 1.00 0.00 H ATOM 685 HG21 THR A 45 -2.344 50.712 4.592 1.00 0.00 H ATOM 686 HG22 THR A 45 -2.687 50.060 6.214 1.00 0.00 H ATOM 687 H THR A 45 -6.777 50.251 3.808 1.00 0.00 H ATOM 688 N PHE A 46 -3.081 48.702 2.421 1.00 0.20 N ATOM 689 CA PHE A 46 -2.679 47.369 1.872 1.00 0.29 C ATOM 690 C PHE A 46 -1.479 46.934 2.734 1.00 0.28 C ATOM 691 O PHE A 46 -0.798 47.858 3.127 1.00 0.25 O ATOM 692 CB PHE A 46 -2.169 47.577 0.420 1.00 0.32 C ATOM 693 CG PHE A 46 -3.308 47.529 -0.604 1.00 0.24 C ATOM 694 CD1 PHE A 46 -3.950 46.325 -0.937 1.00 0.34 C ATOM 695 CD2 PHE A 46 -3.768 48.695 -1.248 1.00 0.26 C ATOM 696 CE1 PHE A 46 -5.001 46.240 -1.866 1.00 0.26 C ATOM 697 CE2 PHE A 46 -4.862 48.634 -2.202 1.00 0.31 C ATOM 698 CZ PHE A 46 -5.464 47.410 -2.503 1.00 0.28 C ATOM 699 HA PHE A 46 -3.495 46.647 1.880 1.00 0.00 H ATOM 700 HB2 PHE A 46 -1.679 48.548 0.355 1.00 0.00 H ATOM 701 HB3 PHE A 46 -1.450 46.792 0.184 1.00 0.00 H ATOM 702 HD2 PHE A 46 -3.298 49.653 -1.028 1.00 0.00 H ATOM 703 HE2 PHE A 46 -5.214 49.546 -2.684 1.00 0.00 H ATOM 704 HZ PHE A 46 -6.282 47.360 -3.222 1.00 0.00 H ATOM 705 HE1 PHE A 46 -5.456 45.276 -2.093 1.00 0.00 H ATOM 706 HD1 PHE A 46 -3.616 45.409 -0.450 1.00 0.00 H ATOM 707 H PHE A 46 -2.407 49.493 2.454 1.00 0.00 H ATOM 708 N VAL A 47 -1.335 45.725 3.140 1.00 0.28 N ATOM 709 CA VAL A 47 -0.409 45.204 4.105 1.00 0.24 C ATOM 710 C VAL A 47 0.524 44.210 3.430 1.00 0.24 C ATOM 711 O VAL A 47 0.057 43.336 2.753 1.00 0.33 O ATOM 712 CB VAL A 47 -1.063 44.596 5.343 1.00 0.43 C ATOM 713 CG1 VAL A 47 0.003 44.169 6.390 1.00 0.24 C ATOM 714 CG2 VAL A 47 -2.094 45.407 6.157 1.00 0.24 C ATOM 715 HA VAL A 47 0.159 46.054 4.482 1.00 0.00 H ATOM 716 HB VAL A 47 -1.617 43.791 4.859 1.00 0.00 H ATOM 717 HG11 VAL A 47 0.668 43.427 5.948 1.00 0.00 H ATOM 718 HG12 VAL A 47 0.581 45.041 6.695 1.00 0.00 H ATOM 719 HG13 VAL A 47 -0.495 43.740 7.259 1.00 0.00 H ATOM 720 HG21 VAL A 47 -1.625 46.318 6.530 1.00 0.00 H ATOM 721 HG22 VAL A 47 -2.937 45.667 5.517 1.00 0.00 H ATOM 722 HG23 VAL A 47 -2.445 44.807 6.997 1.00 0.00 H ATOM 723 H VAL A 47 -1.977 45.028 2.711 1.00 0.00 H ATOM 724 N HIS A 48 1.801 44.569 3.458 1.00 0.25 N ATOM 725 CA HIS A 48 2.778 43.784 2.676 1.00 0.25 C ATOM 726 C HIS A 48 3.442 42.828 3.682 1.00 0.27 C ATOM 727 O HIS A 48 4.586 43.152 3.950 1.00 0.35 O ATOM 728 CB HIS A 48 3.924 44.746 2.238 1.00 0.30 C ATOM 729 CG HIS A 48 3.290 45.729 1.244 1.00 0.33 C ATOM 730 ND1 HIS A 48 2.933 45.384 -0.045 1.00 0.26 N ATOM 731 CD2 HIS A 48 2.967 47.039 1.493 1.00 0.25 C ATOM 732 CE1 HIS A 48 2.270 46.473 -0.574 1.00 0.35 C ATOM 733 NE2 HIS A 48 2.377 47.502 0.331 1.00 0.28 N ATOM 734 HA HIS A 48 2.303 43.289 1.829 1.00 0.00 H ATOM 735 HB2 HIS A 48 4.321 45.281 3.101 1.00 0.00 H ATOM 736 HB3 HIS A 48 4.727 44.186 1.759 1.00 0.00 H ATOM 737 HD2 HIS A 48 3.139 47.597 2.413 1.00 0.00 H ATOM 738 HE1 HIS A 48 1.755 46.510 -1.534 1.00 0.00 H ATOM 739 H HIS A 48 2.109 45.388 4.020 1.00 0.00 H ATOM 740 N GLU A 49 2.612 42.056 4.300 1.00 0.32 N ATOM 741 CA GLU A 49 3.077 41.001 5.212 1.00 0.31 C ATOM 742 C GLU A 49 2.328 39.710 4.895 1.00 0.46 C ATOM 743 O GLU A 49 1.326 39.725 4.206 1.00 0.38 O ATOM 744 CB GLU A 49 2.955 41.307 6.673 1.00 0.24 C ATOM 745 CG GLU A 49 3.502 42.637 7.103 1.00 0.29 C ATOM 746 CD GLU A 49 5.003 42.626 7.282 1.00 0.38 C ATOM 747 OE1 GLU A 49 5.637 41.556 7.237 1.00 0.48 O ATOM 748 OE2 GLU A 49 5.688 43.674 7.384 1.00 0.40 O ATOM 749 HA GLU A 49 4.149 40.909 5.034 1.00 0.00 H ATOM 750 HB2 GLU A 49 1.897 41.278 6.935 1.00 0.00 H ATOM 751 HB3 GLU A 49 3.486 40.531 7.224 1.00 0.00 H ATOM 752 HG2 GLU A 49 3.247 43.379 6.347 1.00 0.00 H ATOM 753 HG3 GLU A 49 3.040 42.913 8.051 1.00 0.00 H ATOM 754 H GLU A 49 1.591 42.183 4.149 1.00 0.00 H ATOM 755 N SER A 50 2.848 38.653 5.512 1.00 0.29 N ATOM 756 CA SER A 50 2.153 37.365 5.281 1.00 0.30 C ATOM 757 C SER A 50 0.823 37.374 6.017 1.00 0.27 C ATOM 758 O SER A 50 0.665 38.084 7.027 1.00 0.41 O ATOM 759 CB SER A 50 2.995 36.197 5.677 1.00 0.43 C ATOM 760 OG SER A 50 3.423 36.182 7.004 1.00 0.56 O ATOM 761 HA SER A 50 1.967 37.255 4.213 1.00 0.00 H ATOM 762 HB2 SER A 50 3.879 36.190 5.040 1.00 0.00 H ATOM 763 HB3 SER A 50 2.415 35.291 5.502 1.00 0.00 H ATOM 764 HG SER A 50 3.966 36.990 7.183 1.00 0.00 H ATOM 765 H SER A 50 3.690 38.726 6.119 1.00 0.00 H ATOM 766 N LEU A 51 -0.077 36.584 5.511 1.00 0.27 N ATOM 767 CA LEU A 51 -1.480 36.515 5.978 1.00 0.27 C ATOM 768 C LEU A 51 -1.547 35.960 7.391 1.00 0.56 C ATOM 769 O LEU A 51 -2.266 36.382 8.291 1.00 0.50 O ATOM 770 CB LEU A 51 -2.218 35.641 4.988 1.00 0.18 C ATOM 771 CG LEU A 51 -3.632 35.458 5.420 1.00 0.29 C ATOM 772 CD1 LEU A 51 -4.286 36.745 5.765 1.00 0.33 C ATOM 773 CD2 LEU A 51 -4.359 34.352 4.732 1.00 0.24 C ATOM 774 HA LEU A 51 -1.938 37.503 6.022 1.00 0.00 H ATOM 775 HB2 LEU A 51 -2.199 36.113 4.006 1.00 0.00 H ATOM 776 HB3 LEU A 51 -1.729 34.668 4.931 1.00 0.00 H ATOM 777 HG LEU A 51 -3.672 34.987 6.402 1.00 0.00 H ATOM 778 HD21 LEU A 51 -4.380 34.545 3.659 1.00 0.00 H ATOM 779 HD22 LEU A 51 -3.847 33.409 4.923 1.00 0.00 H ATOM 780 HD23 LEU A 51 -5.379 34.297 5.113 1.00 0.00 H ATOM 781 HD11 LEU A 51 -3.742 37.220 6.581 1.00 0.00 H ATOM 782 HD12 LEU A 51 -4.280 37.399 4.893 1.00 0.00 H ATOM 783 HD13 LEU A 51 -5.314 36.557 6.073 1.00 0.00 H ATOM 784 H LEU A 51 0.207 35.961 4.728 1.00 0.00 H ATOM 785 N ALA A 52 -0.604 35.093 7.710 1.00 0.32 N ATOM 786 CA ALA A 52 -0.443 34.532 9.053 1.00 0.32 C ATOM 787 C ALA A 52 0.170 35.562 9.978 1.00 0.22 C ATOM 788 O ALA A 52 -0.172 35.569 11.133 1.00 0.49 O ATOM 789 CB ALA A 52 0.582 33.370 8.963 1.00 0.33 C ATOM 790 HA ALA A 52 -1.416 34.211 9.424 1.00 0.00 H ATOM 791 HB1 ALA A 52 0.208 32.610 8.278 1.00 0.00 H ATOM 792 HB2 ALA A 52 1.534 33.754 8.597 1.00 0.00 H ATOM 793 HB3 ALA A 52 0.721 32.933 9.952 1.00 0.00 H ATOM 794 H ALA A 52 0.060 34.792 6.968 1.00 0.00 H ATOM 795 N ASP A 53 1.152 36.334 9.489 1.00 0.26 N ATOM 796 CA ASP A 53 1.638 37.474 10.270 1.00 0.19 C ATOM 797 C ASP A 53 0.527 38.454 10.574 1.00 0.43 C ATOM 798 O ASP A 53 0.305 38.848 11.708 1.00 0.28 O ATOM 799 CB ASP A 53 2.810 38.197 9.640 1.00 0.43 C ATOM 800 CG ASP A 53 4.124 37.471 10.026 1.00 0.41 C ATOM 801 OD1 ASP A 53 4.007 36.334 10.512 1.00 0.91 O ATOM 802 OD2 ASP A 53 5.209 38.040 9.877 1.00 0.76 O ATOM 803 HA ASP A 53 2.002 37.042 11.202 1.00 0.00 H ATOM 804 HB2 ASP A 53 2.698 38.197 8.556 1.00 0.00 H ATOM 805 HB3 ASP A 53 2.841 39.225 10.001 1.00 0.00 H ATOM 806 H ASP A 53 1.567 36.124 8.559 1.00 0.00 H ATOM 807 N VAL A 54 -0.366 38.713 9.644 1.00 0.43 N ATOM 808 CA VAL A 54 -1.478 39.608 10.007 1.00 0.39 C ATOM 809 C VAL A 54 -2.562 38.962 10.788 1.00 0.50 C ATOM 810 O VAL A 54 -3.103 39.650 11.696 1.00 0.29 O ATOM 811 CB VAL A 54 -1.998 40.256 8.719 1.00 0.30 C ATOM 812 CG1 VAL A 54 -3.335 40.882 8.877 1.00 0.26 C ATOM 813 CG2 VAL A 54 -0.989 41.066 7.910 1.00 0.27 C ATOM 814 HA VAL A 54 -1.094 40.365 10.691 1.00 0.00 H ATOM 815 HB VAL A 54 -2.158 39.409 8.052 1.00 0.00 H ATOM 816 HG11 VAL A 54 -4.057 40.123 9.179 1.00 0.00 H ATOM 817 HG12 VAL A 54 -3.283 41.659 9.639 1.00 0.00 H ATOM 818 HG13 VAL A 54 -3.643 41.322 7.928 1.00 0.00 H ATOM 819 HG21 VAL A 54 -0.606 41.883 8.522 1.00 0.00 H ATOM 820 HG22 VAL A 54 -0.165 40.420 7.608 1.00 0.00 H ATOM 821 HG23 VAL A 54 -1.478 41.472 7.024 1.00 0.00 H ATOM 822 H VAL A 54 -0.290 38.303 8.691 1.00 0.00 H ATOM 823 N GLN A 55 -2.942 37.715 10.569 1.00 0.33 N ATOM 824 CA GLN A 55 -3.805 36.962 11.476 1.00 0.20 C ATOM 825 C GLN A 55 -3.320 36.892 12.899 1.00 0.25 C ATOM 826 O GLN A 55 -4.177 36.856 13.797 1.00 0.39 O ATOM 827 CB GLN A 55 -4.019 35.528 10.998 1.00 0.20 C ATOM 828 CG GLN A 55 -4.936 35.610 9.797 1.00 0.27 C ATOM 829 CD GLN A 55 -4.949 34.287 9.058 1.00 0.32 C ATOM 830 OE1 GLN A 55 -3.919 33.455 9.222 1.00 0.46 O ATOM 831 NE2 GLN A 55 -5.951 34.050 8.245 1.00 0.43 N ATOM 832 HA GLN A 55 -4.736 37.529 11.462 1.00 0.00 H ATOM 833 HB2 GLN A 55 -3.067 35.078 10.716 1.00 0.00 H ATOM 834 HB3 GLN A 55 -4.481 34.933 11.786 1.00 0.00 H ATOM 835 HG2 GLN A 55 -5.946 35.847 10.130 1.00 0.00 H ATOM 836 HG3 GLN A 55 -4.583 36.394 9.127 1.00 0.00 H ATOM 837 HE22 GLN A 55 -6.726 34.738 8.160 1.00 0.00 H ATOM 838 HE21 GLN A 55 -5.970 33.174 7.685 1.00 0.00 H ATOM 839 H GLN A 55 -2.608 37.244 9.704 1.00 0.00 H ATOM 840 N ALA A 56 -2.016 36.908 13.150 1.00 0.39 N ATOM 841 CA ALA A 56 -1.510 36.793 14.539 1.00 0.35 C ATOM 842 C ALA A 56 -1.859 38.051 15.312 1.00 0.38 C ATOM 843 O ALA A 56 -1.714 38.143 16.503 1.00 0.38 O ATOM 844 CB ALA A 56 0.013 36.628 14.513 1.00 0.27 C ATOM 845 HA ALA A 56 -1.967 35.928 15.020 1.00 0.00 H ATOM 846 HB1 ALA A 56 0.270 35.727 13.955 1.00 0.00 H ATOM 847 HB2 ALA A 56 0.463 37.496 14.031 1.00 0.00 H ATOM 848 HB3 ALA A 56 0.385 36.543 15.534 1.00 0.00 H ATOM 849 H ALA A 56 -1.342 37.002 12.363 1.00 0.00 H ATOM 850 N VAL A 57 -2.159 39.143 14.617 1.00 0.30 N ATOM 851 CA VAL A 57 -2.308 40.408 15.370 1.00 0.29 C ATOM 852 C VAL A 57 -3.530 40.351 16.251 1.00 0.25 C ATOM 853 O VAL A 57 -3.565 41.089 17.223 1.00 0.40 O ATOM 854 CB VAL A 57 -2.462 41.542 14.325 1.00 0.25 C ATOM 855 CG1 VAL A 57 -2.887 42.854 15.054 1.00 0.13 C ATOM 856 CG2 VAL A 57 -1.125 41.829 13.591 1.00 0.28 C ATOM 857 HA VAL A 57 -1.443 40.580 16.010 1.00 0.00 H ATOM 858 HB VAL A 57 -3.210 41.222 13.599 1.00 0.00 H ATOM 859 HG11 VAL A 57 -3.837 42.693 15.564 1.00 0.00 H ATOM 860 HG12 VAL A 57 -2.123 43.127 15.782 1.00 0.00 H ATOM 861 HG13 VAL A 57 -2.997 43.655 14.323 1.00 0.00 H ATOM 862 HG21 VAL A 57 -0.371 42.130 14.318 1.00 0.00 H ATOM 863 HG22 VAL A 57 -0.795 40.928 13.075 1.00 0.00 H ATOM 864 HG23 VAL A 57 -1.274 42.630 12.867 1.00 0.00 H ATOM 865 H VAL A 57 -2.284 39.110 13.585 1.00 0.00 H ATOM 866 N CYS A 58 -4.424 39.429 15.910 1.00 0.34 N ATOM 867 CA CYS A 58 -5.671 39.202 16.652 1.00 0.25 C ATOM 868 C CYS A 58 -5.406 38.697 18.066 1.00 0.36 C ATOM 869 O CYS A 58 -6.373 38.467 18.807 1.00 0.30 O ATOM 870 CB CYS A 58 -6.524 38.145 15.940 1.00 0.33 C ATOM 871 SG CYS A 58 -7.398 38.886 14.558 1.00 0.38 S ATOM 872 HA CYS A 58 -6.188 40.161 16.699 1.00 0.00 H ATOM 873 HB2 CYS A 58 -7.246 37.731 16.643 1.00 0.00 H ATOM 874 HB3 CYS A 58 -5.878 37.348 15.573 1.00 0.00 H ATOM 875 HG CYS A 58 -6.067 39.233 14.445 1.00 0.00 H ATOM 876 H CYS A 58 -4.231 38.839 15.076 1.00 0.00 H ATOM 877 N SER A 59 -4.174 38.443 18.395 1.00 0.56 N ATOM 878 CA SER A 59 -3.750 37.877 19.673 1.00 0.60 C ATOM 879 C SER A 59 -2.706 38.738 20.344 1.00 0.38 C ATOM 880 O SER A 59 -2.078 38.312 21.305 1.00 0.40 O ATOM 881 CB SER A 59 -3.312 36.445 19.546 1.00 0.53 C ATOM 882 OG SER A 59 -2.122 36.336 18.770 1.00 0.86 O ATOM 883 HA SER A 59 -4.624 37.871 20.324 1.00 0.00 H ATOM 884 HB2 SER A 59 -4.104 35.872 19.064 1.00 0.00 H ATOM 885 HB3 SER A 59 -3.126 36.040 20.541 1.00 0.00 H ATOM 886 HG SER A 59 -2.286 36.698 17.863 1.00 0.00 H ATOM 887 H SER A 59 -3.435 38.659 17.696 1.00 0.00 H ATOM 888 N GLN A 60 -2.545 39.964 19.816 1.00 0.37 N ATOM 889 CA GLN A 60 -1.610 40.921 20.377 1.00 0.32 C ATOM 890 C GLN A 60 -2.232 41.908 21.311 1.00 0.35 C ATOM 891 O GLN A 60 -2.909 41.513 22.248 1.00 0.48 O ATOM 892 CB GLN A 60 -0.802 41.628 19.281 1.00 0.23 C ATOM 893 CG GLN A 60 -0.170 40.413 18.567 1.00 0.23 C ATOM 894 CD GLN A 60 0.782 40.756 17.449 1.00 0.30 C ATOM 895 OE1 GLN A 60 1.230 41.953 17.158 1.00 0.31 O ATOM 896 NE2 GLN A 60 1.165 39.721 16.666 1.00 0.35 N ATOM 897 HA GLN A 60 -0.926 40.330 20.986 1.00 0.00 H ATOM 898 HB2 GLN A 60 -1.445 42.199 18.611 1.00 0.00 H ATOM 899 HB3 GLN A 60 -0.043 42.287 19.702 1.00 0.00 H ATOM 900 HG2 GLN A 60 0.375 39.830 19.309 1.00 0.00 H ATOM 901 HG3 GLN A 60 -0.976 39.808 18.152 1.00 0.00 H ATOM 902 HE22 GLN A 60 0.826 38.760 16.872 1.00 0.00 H ATOM 903 HE21 GLN A 60 1.799 39.887 15.858 1.00 0.00 H ATOM 904 H GLN A 60 -3.106 40.234 18.983 1.00 0.00 H ATOM 905 N LYS A 61 -1.976 43.163 21.077 1.00 0.30 N ATOM 906 CA LYS A 61 -2.321 44.213 22.069 1.00 0.28 C ATOM 907 C LYS A 61 -3.777 44.616 21.894 1.00 0.32 C ATOM 908 O LYS A 61 -4.210 45.159 20.890 1.00 0.51 O ATOM 909 CB LYS A 61 -1.386 45.388 21.845 1.00 0.26 C ATOM 910 CG LYS A 61 -1.717 46.554 22.728 1.00 0.39 C ATOM 911 CD LYS A 61 -0.920 46.499 23.998 1.00 0.50 C ATOM 912 CE LYS A 61 -1.366 47.534 24.986 1.00 0.49 C ATOM 913 NZ LYS A 61 -0.884 47.229 26.345 1.00 0.50 N ATOM 914 HA LYS A 61 -2.201 43.849 23.089 1.00 0.00 H ATOM 915 HB2 LYS A 61 -0.365 45.069 22.053 1.00 0.00 H ATOM 916 HB3 LYS A 61 -1.462 45.703 20.804 1.00 0.00 H ATOM 917 HG2 LYS A 61 -1.487 47.480 22.200 1.00 0.00 H ATOM 918 HG3 LYS A 61 -2.779 46.530 22.970 1.00 0.00 H ATOM 919 HD2 LYS A 61 -1.037 45.512 24.445 1.00 0.00 H ATOM 920 HD3 LYS A 61 0.131 46.667 23.762 1.00 0.00 H ATOM 921 HE2 LYS A 61 -2.455 47.568 24.996 1.00 0.00 H ATOM 922 HE3 LYS A 61 -0.976 48.505 24.682 1.00 0.00 H ATOM 923 HZ1 LYS A 61 -1.257 46.306 26.645 1.00 0.00 H ATOM 924 HZ2 LYS A 61 0.156 47.201 26.345 1.00 0.00 H ATOM 925 HZ3 LYS A 61 -1.212 47.966 27.001 1.00 0.00 H ATOM 926 H LYS A 61 -1.523 43.434 20.181 1.00 0.00 H ATOM 927 N ASN A 62 -4.643 44.359 22.864 1.00 0.55 N ATOM 928 CA ASN A 62 -6.085 44.621 22.714 1.00 0.36 C ATOM 929 C ASN A 62 -6.397 46.078 23.034 1.00 0.39 C ATOM 930 O ASN A 62 -5.922 46.554 24.081 1.00 0.44 O ATOM 931 CB ASN A 62 -6.865 43.697 23.630 1.00 0.34 C ATOM 932 CG ASN A 62 -8.354 43.928 23.557 1.00 0.40 C ATOM 933 OD1 ASN A 62 -8.990 43.919 24.729 1.00 0.48 O ATOM 934 ND2 ASN A 62 -8.991 44.145 22.412 1.00 0.25 N ATOM 935 HA ASN A 62 -6.378 44.430 21.682 1.00 0.00 H ATOM 936 HB2 ASN A 62 -6.657 42.666 23.345 1.00 0.00 H ATOM 937 HB3 ASN A 62 -6.536 43.863 24.656 1.00 0.00 H ATOM 938 HD22 ASN A 62 -8.464 44.145 21.516 1.00 0.00 H ATOM 939 HD21 ASN A 62 -10.017 44.315 22.412 1.00 0.00 H ATOM 940 H ASN A 62 -4.294 43.960 23.759 1.00 0.00 H ATOM 941 N VAL A 63 -6.997 46.793 22.096 1.00 0.36 N ATOM 942 CA VAL A 63 -7.299 48.240 22.182 1.00 0.19 C ATOM 943 C VAL A 63 -8.750 48.489 21.834 1.00 0.26 C ATOM 944 O VAL A 63 -9.362 47.626 21.188 1.00 0.38 O ATOM 945 CB VAL A 63 -6.376 49.022 21.258 1.00 0.39 C ATOM 946 CG1 VAL A 63 -4.986 49.188 21.871 1.00 0.24 C ATOM 947 CG2 VAL A 63 -6.237 48.610 19.778 1.00 0.39 C ATOM 948 HA VAL A 63 -7.129 48.581 23.203 1.00 0.00 H ATOM 949 HB VAL A 63 -6.925 49.961 21.190 1.00 0.00 H ATOM 950 HG11 VAL A 63 -5.069 49.726 22.815 1.00 0.00 H ATOM 951 HG12 VAL A 63 -4.549 48.205 22.048 1.00 0.00 H ATOM 952 HG13 VAL A 63 -4.353 49.751 21.185 1.00 0.00 H ATOM 953 HG21 VAL A 63 -5.864 47.587 19.720 1.00 0.00 H ATOM 954 HG22 VAL A 63 -7.211 48.671 19.292 1.00 0.00 H ATOM 955 HG23 VAL A 63 -5.538 49.282 19.279 1.00 0.00 H ATOM 956 H VAL A 63 -7.280 46.298 21.226 1.00 0.00 H ATOM 957 N ALA A 64 -9.343 49.636 22.120 1.00 0.38 N ATOM 958 CA ALA A 64 -10.671 49.975 21.557 1.00 0.49 C ATOM 959 C ALA A 64 -10.579 50.208 20.065 1.00 0.36 C ATOM 960 O ALA A 64 -9.685 50.859 19.540 1.00 0.30 O ATOM 961 CB ALA A 64 -11.238 51.218 22.231 1.00 0.39 C ATOM 962 HA ALA A 64 -11.336 49.132 21.743 1.00 0.00 H ATOM 963 HB1 ALA A 64 -11.344 51.034 23.300 1.00 0.00 H ATOM 964 HB2 ALA A 64 -10.561 52.057 22.071 1.00 0.00 H ATOM 965 HB3 ALA A 64 -12.213 51.449 21.803 1.00 0.00 H ATOM 966 H ALA A 64 -8.869 50.312 22.752 1.00 0.00 H ATOM 967 N CYS A 65 -11.578 49.749 19.338 1.00 0.45 N ATOM 968 CA CYS A 65 -11.853 50.274 17.992 1.00 0.32 C ATOM 969 C CYS A 65 -12.312 51.715 18.048 1.00 0.28 C ATOM 970 O CYS A 65 -12.661 52.297 19.075 1.00 0.57 O ATOM 971 CB CYS A 65 -12.916 49.392 17.319 1.00 0.24 C ATOM 972 SG CYS A 65 -12.487 47.647 17.436 1.00 0.41 S ATOM 973 HA CYS A 65 -10.934 50.250 17.407 1.00 0.00 H ATOM 974 HB2 CYS A 65 -12.994 49.669 16.268 1.00 0.00 H ATOM 975 HB3 CYS A 65 -13.876 49.556 17.809 1.00 0.00 H ATOM 976 HG CYS A 65 -12.803 46.479 18.100 1.00 0.00 H ATOM 977 H CYS A 65 -12.185 48.999 19.725 1.00 0.00 H ATOM 978 N LYS A 66 -12.286 52.398 16.908 1.00 0.30 N ATOM 979 CA LYS A 66 -12.593 53.834 16.875 1.00 0.58 C ATOM 980 C LYS A 66 -14.087 54.051 17.124 1.00 0.43 C ATOM 981 O LYS A 66 -14.492 55.169 17.432 1.00 0.62 O ATOM 982 CB LYS A 66 -12.145 54.471 15.578 1.00 0.54 C ATOM 983 CG LYS A 66 -12.035 53.545 14.408 1.00 1.43 C ATOM 984 CD LYS A 66 -13.056 53.806 13.323 1.00 1.42 C ATOM 985 CE LYS A 66 -13.264 52.614 12.406 1.00 1.25 C ATOM 986 NZ LYS A 66 -14.696 52.382 12.123 1.00 1.43 N ATOM 987 HA LYS A 66 -12.034 54.326 17.672 1.00 0.00 H ATOM 988 HB2 LYS A 66 -12.861 55.252 15.322 1.00 0.00 H ATOM 989 HB3 LYS A 66 -11.165 54.919 15.745 1.00 0.00 H ATOM 990 HG2 LYS A 66 -11.040 53.653 13.977 1.00 0.00 H ATOM 991 HG3 LYS A 66 -12.166 52.523 14.765 1.00 0.00 H ATOM 992 HD2 LYS A 66 -14.008 54.053 13.793 1.00 0.00 H ATOM 993 HD3 LYS A 66 -12.718 54.651 12.723 1.00 0.00 H ATOM 994 HE2 LYS A 66 -12.850 51.725 12.883 1.00 0.00 H ATOM 995 HE3 LYS A 66 -12.743 52.797 11.466 1.00 0.00 H ATOM 996 HZ1 LYS A 66 -15.199 52.200 13.015 1.00 0.00 H ATOM 997 HZ2 LYS A 66 -15.098 53.223 11.662 1.00 0.00 H ATOM 998 HZ3 LYS A 66 -14.795 51.560 11.494 1.00 0.00 H ATOM 999 H LYS A 66 -12.044 51.907 16.024 1.00 0.00 H ATOM 1000 N ASN A 67 -14.847 52.990 17.017 1.00 0.32 N ATOM 1001 CA ASN A 67 -16.244 52.786 17.301 1.00 0.41 C ATOM 1002 C ASN A 67 -16.517 52.502 18.764 1.00 0.33 C ATOM 1003 O ASN A 67 -17.651 52.300 19.165 1.00 0.51 O ATOM 1004 CB ASN A 67 -16.913 51.775 16.404 1.00 0.37 C ATOM 1005 CG ASN A 67 -16.496 50.324 16.505 1.00 0.67 C ATOM 1006 OD1 ASN A 67 -16.829 49.410 15.574 1.00 0.90 O ATOM 1007 ND2 ASN A 67 -15.706 49.871 17.451 1.00 0.47 N ATOM 1008 HA ASN A 67 -16.708 53.745 17.069 1.00 0.00 H ATOM 1009 HB2 ASN A 67 -17.982 51.817 16.614 1.00 0.00 H ATOM 1010 HB3 ASN A 67 -16.733 52.090 15.376 1.00 0.00 H ATOM 1011 HD22 ASN A 67 -15.394 50.504 18.215 1.00 0.00 H ATOM 1012 HD21 ASN A 67 -15.392 48.880 17.436 1.00 0.00 H ATOM 1013 H ASN A 67 -14.354 52.145 16.664 1.00 0.00 H ATOM 1014 N GLY A 68 -15.493 52.534 19.576 1.00 0.37 N ATOM 1015 CA GLY A 68 -15.435 52.040 20.912 1.00 0.34 C ATOM 1016 C GLY A 68 -15.877 50.612 21.083 1.00 0.48 C ATOM 1017 O GLY A 68 -15.966 50.161 22.248 1.00 0.38 O ATOM 1018 HA3 GLY A 68 -16.074 52.668 21.533 1.00 0.00 H ATOM 1019 HA2 GLY A 68 -14.404 52.119 21.257 1.00 0.00 H ATOM 1020 H GLY A 68 -14.624 52.968 19.206 1.00 0.00 H ATOM 1021 N GLN A 69 -16.032 49.764 20.099 1.00 0.32 N ATOM 1022 CA GLN A 69 -15.895 48.288 20.323 1.00 0.28 C ATOM 1023 C GLN A 69 -14.498 47.985 20.897 1.00 0.52 C ATOM 1024 O GLN A 69 -13.596 48.818 20.822 1.00 0.49 O ATOM 1025 CB GLN A 69 -15.986 47.527 19.010 1.00 0.53 C ATOM 1026 CG GLN A 69 -17.265 47.650 18.245 1.00 0.96 C ATOM 1027 CD GLN A 69 -18.337 46.766 18.901 1.00 1.43 C ATOM 1028 OE1 GLN A 69 -18.525 46.898 20.209 1.00 1.43 O ATOM 1029 NE2 GLN A 69 -18.970 45.862 18.178 1.00 1.38 N ATOM 1030 HA GLN A 69 -16.694 47.984 21.000 1.00 0.00 H ATOM 1031 HB2 GLN A 69 -15.181 47.882 18.366 1.00 0.00 H ATOM 1032 HB3 GLN A 69 -15.834 46.470 19.230 1.00 0.00 H ATOM 1033 HG2 GLN A 69 -17.595 48.689 18.252 1.00 0.00 H ATOM 1034 HG3 GLN A 69 -17.106 47.327 17.216 1.00 0.00 H ATOM 1035 HE22 GLN A 69 -18.791 45.795 17.156 1.00 0.00 H ATOM 1036 HE21 GLN A 69 -19.648 45.216 18.630 1.00 0.00 H ATOM 1037 H GLN A 69 -16.254 50.119 19.147 1.00 0.00 H ATOM 1038 N THR A 70 -14.364 46.777 21.409 1.00 0.36 N ATOM 1039 CA THR A 70 -13.163 46.350 22.132 1.00 0.46 C ATOM 1040 C THR A 70 -12.593 45.080 21.537 1.00 0.35 C ATOM 1041 O THR A 70 -11.840 44.357 22.166 1.00 0.55 O ATOM 1042 CB THR A 70 -13.357 46.191 23.599 1.00 0.46 C ATOM 1043 OG1 THR A 70 -14.363 45.325 23.982 1.00 0.72 O ATOM 1044 CG2 THR A 70 -13.273 47.430 24.372 1.00 0.32 C ATOM 1045 HA THR A 70 -12.449 47.165 22.008 1.00 0.00 H ATOM 1046 HB THR A 70 -12.460 45.648 23.898 1.00 0.00 H ATOM 1047 HG1 THR A 70 -15.228 45.645 23.621 1.00 0.00 H ATOM 1048 HG23 THR A 70 -12.452 48.039 23.992 1.00 0.00 H ATOM 1049 HG21 THR A 70 -14.209 47.980 24.277 1.00 0.00 H ATOM 1050 HG22 THR A 70 -13.095 47.191 25.421 1.00 0.00 H ATOM 1051 H THR A 70 -15.144 46.099 21.295 1.00 0.00 H ATOM 1052 N ASN A 71 -12.977 44.842 20.287 1.00 0.52 N ATOM 1053 CA ASN A 71 -12.363 43.695 19.604 1.00 0.23 C ATOM 1054 C ASN A 71 -11.366 44.111 18.577 1.00 0.27 C ATOM 1055 O ASN A 71 -11.238 43.456 17.552 1.00 0.36 O ATOM 1056 CB ASN A 71 -13.467 42.824 19.024 1.00 0.42 C ATOM 1057 CG ASN A 71 -14.190 43.607 17.919 1.00 0.30 C ATOM 1058 OD1 ASN A 71 -14.539 44.841 18.029 1.00 0.53 O ATOM 1059 ND2 ASN A 71 -14.349 42.931 16.774 1.00 0.44 N ATOM 1060 HA ASN A 71 -11.795 43.112 20.329 1.00 0.00 H ATOM 1061 HB2 ASN A 71 -13.035 41.915 18.606 1.00 0.00 H ATOM 1062 HB3 ASN A 71 -14.176 42.560 19.809 1.00 0.00 H ATOM 1063 HD22 ASN A 71 -14.058 41.934 16.714 1.00 0.00 H ATOM 1064 HD21 ASN A 71 -14.764 43.403 15.945 1.00 0.00 H ATOM 1065 H ASN A 71 -13.682 45.442 19.813 1.00 0.00 H ATOM 1066 N CYS A 72 -10.634 45.178 18.826 1.00 0.31 N ATOM 1067 CA CYS A 72 -9.483 45.522 17.986 1.00 0.31 C ATOM 1068 C CYS A 72 -8.181 45.165 18.699 1.00 0.23 C ATOM 1069 O CYS A 72 -8.240 44.944 19.887 1.00 0.37 O ATOM 1070 CB CYS A 72 -9.452 47.040 17.709 1.00 0.33 C ATOM 1071 SG CYS A 72 -10.724 47.418 16.477 1.00 0.39 S ATOM 1072 HA CYS A 72 -9.578 44.964 17.054 1.00 0.00 H ATOM 1073 HB2 CYS A 72 -8.472 47.326 17.327 1.00 0.00 H ATOM 1074 HB3 CYS A 72 -9.655 47.587 18.629 1.00 0.00 H ATOM 1075 HG CYS A 72 -10.341 46.094 16.533 1.00 0.00 H ATOM 1076 H CYS A 72 -10.877 45.787 19.633 1.00 0.00 H ATOM 1077 N TYR A 73 -7.134 45.110 17.954 1.00 0.25 N ATOM 1078 CA TYR A 73 -5.815 44.622 18.314 1.00 0.40 C ATOM 1079 C TYR A 73 -4.745 45.399 17.546 1.00 0.26 C ATOM 1080 O TYR A 73 -4.910 45.583 16.341 1.00 0.38 O ATOM 1081 CB TYR A 73 -5.696 43.128 18.021 1.00 0.25 C ATOM 1082 CG TYR A 73 -6.645 42.350 18.934 1.00 0.24 C ATOM 1083 CD1 TYR A 73 -6.255 41.966 20.191 1.00 0.37 C ATOM 1084 CD2 TYR A 73 -7.947 42.090 18.454 1.00 0.23 C ATOM 1085 CE1 TYR A 73 -7.160 41.317 21.060 1.00 0.39 C ATOM 1086 CE2 TYR A 73 -8.830 41.371 19.249 1.00 0.26 C ATOM 1087 CZ TYR A 73 -8.428 41.024 20.557 1.00 0.46 C ATOM 1088 OH TYR A 73 -9.328 40.352 21.363 1.00 0.67 O ATOM 1089 HA TYR A 73 -5.666 44.774 19.383 1.00 0.00 H ATOM 1090 HB3 TYR A 73 -4.671 42.803 18.201 1.00 0.00 H ATOM 1091 HB2 TYR A 73 -5.958 42.940 16.980 1.00 0.00 H ATOM 1092 HD2 TYR A 73 -8.255 42.449 17.472 1.00 0.00 H ATOM 1093 HE2 TYR A 73 -9.811 41.081 18.872 1.00 0.00 H ATOM 1094 HE1 TYR A 73 -6.880 41.056 22.080 1.00 0.00 H ATOM 1095 HD1 TYR A 73 -5.236 42.164 20.523 1.00 0.00 H ATOM 1096 HH TYR A 73 -9.575 39.494 20.936 1.00 0.00 H ATOM 1097 H TYR A 73 -7.245 45.456 16.979 1.00 0.00 H ATOM 1098 N GLN A 74 -3.795 45.981 18.216 1.00 0.26 N ATOM 1099 CA GLN A 74 -2.593 46.604 17.690 1.00 0.27 C ATOM 1100 C GLN A 74 -1.459 45.616 17.568 1.00 0.41 C ATOM 1101 O GLN A 74 -1.219 44.839 18.501 1.00 0.36 O ATOM 1102 CB GLN A 74 -2.166 47.819 18.494 1.00 0.33 C ATOM 1103 CG GLN A 74 -1.304 48.778 17.680 1.00 0.26 C ATOM 1104 CD GLN A 74 -0.987 50.060 18.418 1.00 0.54 C ATOM 1105 OE1 GLN A 74 -1.896 50.941 18.882 1.00 0.59 O ATOM 1106 NE2 GLN A 74 0.308 50.372 18.554 1.00 0.61 N ATOM 1107 HA GLN A 74 -2.846 46.954 16.689 1.00 0.00 H ATOM 1108 HB2 GLN A 74 -3.058 48.348 18.830 1.00 0.00 H ATOM 1109 HB3 GLN A 74 -1.596 47.484 19.360 1.00 0.00 H ATOM 1110 HG2 GLN A 74 -0.367 48.279 17.433 1.00 0.00 H ATOM 1111 HG3 GLN A 74 -1.835 49.028 16.761 1.00 0.00 H ATOM 1112 HE22 GLN A 74 1.039 49.718 18.209 1.00 0.00 H ATOM 1113 HE21 GLN A 74 0.582 51.268 19.005 1.00 0.00 H ATOM 1114 H GLN A 74 -3.909 46.003 19.249 1.00 0.00 H ATOM 1115 N SER A 75 -0.798 45.541 16.414 1.00 0.38 N ATOM 1116 CA SER A 75 0.416 44.709 16.304 1.00 0.30 C ATOM 1117 C SER A 75 1.491 45.217 17.258 1.00 0.38 C ATOM 1118 O SER A 75 1.703 46.447 17.356 1.00 0.38 O ATOM 1119 CB SER A 75 0.931 44.660 14.891 1.00 0.26 C ATOM 1120 OG SER A 75 1.215 45.974 14.380 1.00 0.32 O ATOM 1121 HA SER A 75 0.151 43.690 16.585 1.00 0.00 H ATOM 1122 HB2 SER A 75 0.179 44.190 14.257 1.00 0.00 H ATOM 1123 HB3 SER A 75 1.845 44.067 14.869 1.00 0.00 H ATOM 1124 HG SER A 75 1.902 46.406 14.947 1.00 0.00 H ATOM 1125 H SER A 75 -1.139 46.071 15.587 1.00 0.00 H ATOM 1126 N TYR A 76 2.186 44.339 17.941 1.00 0.41 N ATOM 1127 CA TYR A 76 3.394 44.685 18.724 1.00 0.43 C ATOM 1128 C TYR A 76 4.444 45.326 17.856 1.00 0.47 C ATOM 1129 O TYR A 76 4.998 46.396 18.154 1.00 0.33 O ATOM 1130 CB TYR A 76 3.897 43.471 19.449 1.00 0.39 C ATOM 1131 CG TYR A 76 2.964 42.870 20.493 1.00 0.38 C ATOM 1132 CD1 TYR A 76 2.218 43.562 21.441 1.00 0.37 C ATOM 1133 CD2 TYR A 76 2.881 41.490 20.541 1.00 0.32 C ATOM 1134 CE1 TYR A 76 1.454 42.813 22.372 1.00 0.34 C ATOM 1135 CE2 TYR A 76 2.103 40.770 21.409 1.00 0.34 C ATOM 1136 CZ TYR A 76 1.367 41.460 22.380 1.00 0.36 C ATOM 1137 OH TYR A 76 0.603 40.663 23.241 1.00 0.67 O ATOM 1138 HA TYR A 76 3.132 45.430 19.476 1.00 0.00 H ATOM 1139 HB3 TYR A 76 4.825 43.745 19.951 1.00 0.00 H ATOM 1140 HB2 TYR A 76 4.102 42.701 18.705 1.00 0.00 H ATOM 1141 HD2 TYR A 76 3.485 40.928 19.829 1.00 0.00 H ATOM 1142 HE2 TYR A 76 2.058 39.683 21.345 1.00 0.00 H ATOM 1143 HE1 TYR A 76 0.899 43.362 23.133 1.00 0.00 H ATOM 1144 HD1 TYR A 76 2.220 44.652 21.468 1.00 0.00 H ATOM 1145 HH TYR A 76 0.124 41.241 23.886 1.00 0.00 H ATOM 1146 H TYR A 76 1.872 43.348 17.932 1.00 0.00 H ATOM 1147 N SER A 77 4.734 44.787 16.646 1.00 0.41 N ATOM 1148 CA SER A 77 5.720 45.450 15.791 1.00 0.34 C ATOM 1149 C SER A 77 5.111 46.272 14.701 1.00 0.29 C ATOM 1150 O SER A 77 3.939 46.205 14.279 1.00 0.38 O ATOM 1151 CB SER A 77 6.746 44.472 15.245 1.00 0.29 C ATOM 1152 OG SER A 77 6.093 43.507 14.396 1.00 0.85 O ATOM 1153 HA SER A 77 6.242 46.153 16.440 1.00 0.00 H ATOM 1154 HB2 SER A 77 7.232 43.956 16.073 1.00 0.00 H ATOM 1155 HB3 SER A 77 7.494 45.016 14.668 1.00 0.00 H ATOM 1156 HG SER A 77 5.415 43.013 14.921 1.00 0.00 H ATOM 1157 H SER A 77 4.263 43.915 16.330 1.00 0.00 H ATOM 1158 N THR A 78 5.958 47.128 14.132 1.00 0.37 N ATOM 1159 CA THR A 78 5.630 47.760 12.875 1.00 0.28 C ATOM 1160 C THR A 78 5.612 46.746 11.725 1.00 0.29 C ATOM 1161 O THR A 78 6.110 45.652 11.793 1.00 0.32 O ATOM 1162 CB THR A 78 6.580 48.865 12.519 1.00 0.31 C ATOM 1163 OG1 THR A 78 7.905 48.425 12.407 1.00 0.39 O ATOM 1164 CG2 THR A 78 6.423 50.041 13.392 1.00 0.31 C ATOM 1165 HA THR A 78 4.635 48.184 13.012 1.00 0.00 H ATOM 1166 HB THR A 78 6.305 49.201 11.519 1.00 0.00 H ATOM 1167 HG1 THR A 78 8.487 49.191 12.172 1.00 0.00 H ATOM 1168 HG23 THR A 78 5.371 50.325 13.431 1.00 0.00 H ATOM 1169 HG21 THR A 78 6.772 49.796 14.395 1.00 0.00 H ATOM 1170 HG22 THR A 78 7.010 50.869 12.993 1.00 0.00 H ATOM 1171 H THR A 78 6.863 47.343 14.597 1.00 0.00 H ATOM 1172 N MET A 79 4.988 47.204 10.674 1.00 0.23 N ATOM 1173 CA MET A 79 4.702 46.380 9.484 1.00 0.27 C ATOM 1174 C MET A 79 4.758 47.325 8.264 1.00 0.21 C ATOM 1175 O MET A 79 4.468 48.498 8.492 1.00 0.42 O ATOM 1176 CB MET A 79 3.283 45.822 9.607 1.00 0.29 C ATOM 1177 CG MET A 79 3.297 44.535 10.401 1.00 0.28 C ATOM 1178 SD MET A 79 1.703 43.719 10.440 1.00 0.36 S ATOM 1179 CE MET A 79 1.827 42.237 11.492 1.00 0.29 C ATOM 1180 HA MET A 79 5.413 45.559 9.385 1.00 0.00 H ATOM 1181 HB2 MET A 79 2.651 46.552 10.114 1.00 0.00 H ATOM 1182 HB3 MET A 79 2.884 45.627 8.611 1.00 0.00 H ATOM 1183 HG2 MET A 79 3.597 44.761 11.424 1.00 0.00 H ATOM 1184 HG3 MET A 79 4.023 43.858 9.952 1.00 0.00 H ATOM 1185 HE1 MET A 79 2.578 41.562 11.080 1.00 0.00 H ATOM 1186 HE2 MET A 79 2.116 42.532 12.501 1.00 0.00 H ATOM 1187 HE3 MET A 79 0.861 41.733 11.522 1.00 0.00 H ATOM 1188 H MET A 79 4.678 48.197 10.675 1.00 0.00 H ATOM 1189 N SER A 80 5.173 46.833 7.134 1.00 0.34 N ATOM 1190 CA SER A 80 5.134 47.477 5.837 1.00 0.15 C ATOM 1191 C SER A 80 3.713 47.693 5.332 1.00 0.27 C ATOM 1192 O SER A 80 2.999 46.780 4.973 1.00 0.34 O ATOM 1193 CB SER A 80 5.900 46.690 4.779 1.00 0.19 C ATOM 1194 OG SER A 80 5.712 47.386 3.526 1.00 0.35 O ATOM 1195 HA SER A 80 5.611 48.445 5.991 1.00 0.00 H ATOM 1196 HB2 SER A 80 5.508 45.675 4.708 1.00 0.00 H ATOM 1197 HB3 SER A 80 6.959 46.652 5.033 1.00 0.00 H ATOM 1198 HG SER A 80 6.195 46.906 2.808 1.00 0.00 H ATOM 1199 H SER A 80 5.576 45.875 7.165 1.00 0.00 H ATOM 1200 N ILE A 81 3.348 48.945 5.212 1.00 0.26 N ATOM 1201 CA ILE A 81 1.996 49.257 4.777 1.00 0.29 C ATOM 1202 C ILE A 81 2.015 50.291 3.661 1.00 0.27 C ATOM 1203 O ILE A 81 2.950 51.046 3.505 1.00 0.29 O ATOM 1204 CB ILE A 81 1.106 49.637 5.921 1.00 0.43 C ATOM 1205 CG1 ILE A 81 1.448 50.963 6.555 1.00 0.34 C ATOM 1206 CG2 ILE A 81 0.982 48.529 6.951 1.00 0.29 C ATOM 1207 CD1 ILE A 81 0.212 51.883 6.624 1.00 0.29 C ATOM 1208 HA ILE A 81 1.556 48.350 4.362 1.00 0.00 H ATOM 1209 HB ILE A 81 0.122 49.777 5.474 1.00 0.00 H ATOM 1210 HG12 ILE A 81 1.819 50.789 7.565 1.00 0.00 H ATOM 1211 HG13 ILE A 81 2.222 51.451 5.963 1.00 0.00 H ATOM 1212 HD11 ILE A 81 -0.161 52.065 5.616 1.00 0.00 H ATOM 1213 HD12 ILE A 81 -0.564 51.402 7.219 1.00 0.00 H ATOM 1214 HD13 ILE A 81 0.491 52.830 7.086 1.00 0.00 H ATOM 1215 HG21 ILE A 81 0.563 47.641 6.478 1.00 0.00 H ATOM 1216 HG22 ILE A 81 1.968 48.297 7.354 1.00 0.00 H ATOM 1217 HG23 ILE A 81 0.326 48.856 7.758 1.00 0.00 H ATOM 1218 H ILE A 81 4.020 49.710 5.426 1.00 0.00 H ATOM 1219 N THR A 82 1.095 50.216 2.770 1.00 0.27 N ATOM 1220 CA THR A 82 0.705 51.202 1.803 1.00 0.19 C ATOM 1221 C THR A 82 -0.666 51.765 2.108 1.00 0.29 C ATOM 1222 O THR A 82 -1.716 51.169 2.127 1.00 0.24 O ATOM 1223 CB THR A 82 0.851 50.744 0.376 1.00 0.26 C ATOM 1224 OG1 THR A 82 2.132 50.169 0.169 1.00 0.25 O ATOM 1225 CG2 THR A 82 0.620 51.838 -0.601 1.00 0.21 C ATOM 1226 HA THR A 82 1.417 52.022 1.899 1.00 0.00 H ATOM 1227 HB THR A 82 0.081 49.991 0.206 1.00 0.00 H ATOM 1228 HG1 THR A 82 2.244 49.391 0.771 1.00 0.00 H ATOM 1229 HG23 THR A 82 -0.366 52.272 -0.433 1.00 0.00 H ATOM 1230 HG21 THR A 82 1.383 52.606 -0.472 1.00 0.00 H ATOM 1231 HG22 THR A 82 0.674 51.437 -1.613 1.00 0.00 H ATOM 1232 H THR A 82 0.562 49.323 2.745 1.00 0.00 H ATOM 1233 N ASP A 83 -0.619 53.043 2.406 1.00 0.17 N ATOM 1234 CA ASP A 83 -1.869 53.804 2.591 1.00 0.19 C ATOM 1235 C ASP A 83 -2.263 54.449 1.270 1.00 0.28 C ATOM 1236 O ASP A 83 -1.468 55.135 0.629 1.00 0.35 O ATOM 1237 CB ASP A 83 -1.518 54.890 3.647 1.00 0.39 C ATOM 1238 CG ASP A 83 -2.738 55.730 3.970 1.00 0.69 C ATOM 1239 OD1 ASP A 83 -2.997 56.776 3.332 1.00 0.57 O ATOM 1240 OD2 ASP A 83 -3.418 55.330 4.912 1.00 0.71 O ATOM 1241 HA ASP A 83 -2.704 53.182 2.913 1.00 0.00 H ATOM 1242 HB2 ASP A 83 -1.165 54.405 4.557 1.00 0.00 H ATOM 1243 HB3 ASP A 83 -0.733 55.534 3.252 1.00 0.00 H ATOM 1244 H ASP A 83 0.300 53.519 2.512 1.00 0.00 H ATOM 1245 N CYS A 84 -3.455 54.161 0.766 1.00 0.41 N ATOM 1246 CA CYS A 84 -4.062 54.757 -0.408 1.00 0.39 C ATOM 1247 C CYS A 84 -5.187 55.714 -0.029 1.00 0.36 C ATOM 1248 O CYS A 84 -6.078 55.423 0.766 1.00 0.34 O ATOM 1249 CB CYS A 84 -4.607 53.701 -1.386 1.00 0.21 C ATOM 1250 SG CYS A 84 -3.359 52.472 -1.788 1.00 0.32 S ATOM 1251 HA CYS A 84 -3.267 55.311 -0.907 1.00 0.00 H ATOM 1252 HB2 CYS A 84 -4.925 54.197 -2.303 1.00 0.00 H ATOM 1253 HB3 CYS A 84 -5.462 53.202 -0.929 1.00 0.00 H ATOM 1254 HG CYS A 84 -2.788 52.201 -0.561 1.00 0.00 H ATOM 1255 H CYS A 84 -4.010 53.435 1.262 1.00 0.00 H ATOM 1256 N ARG A 85 -5.130 56.905 -0.619 1.00 0.29 N ATOM 1257 CA ARG A 85 -6.157 57.950 -0.262 1.00 0.24 C ATOM 1258 C ARG A 85 -6.536 58.663 -1.575 1.00 0.47 C ATOM 1259 O ARG A 85 -5.611 59.097 -2.256 1.00 0.35 O ATOM 1260 CB ARG A 85 -5.408 58.979 0.620 1.00 0.35 C ATOM 1261 CG ARG A 85 -6.357 60.043 1.162 1.00 0.29 C ATOM 1262 CD ARG A 85 -5.908 60.366 2.603 1.00 1.16 C ATOM 1263 NE ARG A 85 -6.656 59.461 3.472 1.00 0.50 N ATOM 1264 CZ ARG A 85 -7.471 59.948 4.433 1.00 0.51 C ATOM 1265 NH1 ARG A 85 -8.366 60.895 4.247 1.00 0.36 N ATOM 1266 NH2 ARG A 85 -7.395 59.411 5.660 1.00 0.45 N ATOM 1267 HA ARG A 85 -7.035 57.535 0.234 1.00 0.00 H ATOM 1268 HB2 ARG A 85 -4.944 58.458 1.457 1.00 0.00 H ATOM 1269 HB3 ARG A 85 -4.636 59.463 0.022 1.00 0.00 H ATOM 1270 HG2 ARG A 85 -6.305 60.940 0.545 1.00 0.00 H ATOM 1271 HG3 ARG A 85 -7.379 59.665 1.165 1.00 0.00 H ATOM 1272 HD2 ARG A 85 -6.138 61.403 2.848 1.00 0.00 H ATOM 1273 HD3 ARG A 85 -4.837 60.197 2.713 1.00 0.00 H ATOM 1274 HE ARG A 85 -6.560 58.433 3.350 1.00 0.00 H ATOM 1275 HH12 ARG A 85 -8.957 61.216 5.041 1.00 0.00 H ATOM 1276 HH11 ARG A 85 -8.483 61.323 3.306 1.00 0.00 H ATOM 1277 HH22 ARG A 85 -8.009 59.764 6.421 1.00 0.00 H ATOM 1278 HH21 ARG A 85 -6.722 58.641 5.850 1.00 0.00 H ATOM 1279 H ARG A 85 -4.387 57.113 -1.317 1.00 0.00 H ATOM 1280 N GLU A 86 -7.792 58.822 -1.864 1.00 0.37 N ATOM 1281 CA GLU A 86 -8.331 59.567 -3.006 1.00 0.31 C ATOM 1282 C GLU A 86 -7.804 60.983 -3.041 1.00 0.33 C ATOM 1283 O GLU A 86 -7.838 61.682 -2.022 1.00 0.35 O ATOM 1284 CB GLU A 86 -9.859 59.592 -2.889 1.00 0.30 C ATOM 1285 CG GLU A 86 -10.524 59.458 -4.209 1.00 0.39 C ATOM 1286 CD GLU A 86 -12.031 59.614 -4.115 1.00 0.48 C ATOM 1287 OE1 GLU A 86 -12.622 59.640 -3.032 1.00 0.49 O ATOM 1288 OE2 GLU A 86 -12.667 59.759 -5.184 1.00 0.61 O ATOM 1289 HA GLU A 86 -8.020 59.074 -3.927 1.00 0.00 H ATOM 1290 HB2 GLU A 86 -10.176 58.768 -2.250 1.00 0.00 H ATOM 1291 HB3 GLU A 86 -10.161 60.537 -2.437 1.00 0.00 H ATOM 1292 HG2 GLU A 86 -10.133 60.225 -4.878 1.00 0.00 H ATOM 1293 HG3 GLU A 86 -10.298 58.473 -4.617 1.00 0.00 H ATOM 1294 H GLU A 86 -8.482 58.378 -1.224 1.00 0.00 H ATOM 1295 N THR A 87 -7.388 61.497 -4.177 1.00 0.40 N ATOM 1296 CA THR A 87 -6.996 62.952 -4.200 1.00 0.32 C ATOM 1297 C THR A 87 -8.282 63.761 -4.302 1.00 0.36 C ATOM 1298 O THR A 87 -9.345 63.112 -4.363 1.00 0.39 O ATOM 1299 CB THR A 87 -6.171 63.153 -5.480 1.00 0.46 C ATOM 1300 OG1 THR A 87 -6.995 62.671 -6.577 1.00 0.46 O ATOM 1301 CG2 THR A 87 -4.978 62.237 -5.387 1.00 0.22 C ATOM 1302 HA THR A 87 -6.431 63.254 -3.318 1.00 0.00 H ATOM 1303 HB THR A 87 -5.868 64.191 -5.616 1.00 0.00 H ATOM 1304 HG1 THR A 87 -7.204 61.714 -6.435 1.00 0.00 H ATOM 1305 HG23 THR A 87 -4.332 62.565 -4.573 1.00 0.00 H ATOM 1306 HG21 THR A 87 -5.317 61.219 -5.195 1.00 0.00 H ATOM 1307 HG22 THR A 87 -4.425 62.266 -6.326 1.00 0.00 H ATOM 1308 H THR A 87 -7.331 60.915 -5.037 1.00 0.00 H ATOM 1309 N GLY A 88 -8.234 65.069 -4.204 1.00 0.48 N ATOM 1310 CA GLY A 88 -9.418 65.936 -4.354 1.00 0.50 C ATOM 1311 C GLY A 88 -9.751 66.149 -5.853 1.00 0.34 C ATOM 1312 O GLY A 88 -10.902 66.535 -6.120 1.00 1.09 O ATOM 1313 HA3 GLY A 88 -9.216 66.902 -3.891 1.00 0.00 H ATOM 1314 HA2 GLY A 88 -10.270 65.468 -3.860 1.00 0.00 H ATOM 1315 H GLY A 88 -7.315 65.517 -4.011 1.00 0.00 H ATOM 1316 N SER A 89 -8.847 65.846 -6.746 1.00 1.10 N ATOM 1317 CA SER A 89 -9.011 65.863 -8.192 1.00 0.78 C ATOM 1318 C SER A 89 -9.951 64.776 -8.691 1.00 0.69 C ATOM 1319 O SER A 89 -10.344 64.750 -9.858 1.00 1.42 O ATOM 1320 CB SER A 89 -7.736 65.874 -8.968 1.00 1.40 C ATOM 1321 OG SER A 89 -6.565 65.393 -8.367 1.00 1.13 O ATOM 1322 HA SER A 89 -9.479 66.828 -8.387 1.00 0.00 H ATOM 1323 HB2 SER A 89 -7.546 66.909 -9.254 1.00 0.00 H ATOM 1324 HB3 SER A 89 -7.903 65.276 -9.864 1.00 0.00 H ATOM 1325 HG SER A 89 -6.691 64.444 -8.113 1.00 0.00 H ATOM 1326 H SER A 89 -7.913 65.563 -6.386 1.00 0.00 H ATOM 1327 N SER A 90 -10.217 63.814 -7.848 1.00 1.16 N ATOM 1328 CA SER A 90 -10.621 62.466 -8.283 1.00 0.49 C ATOM 1329 C SER A 90 -12.126 62.451 -8.544 1.00 0.63 C ATOM 1330 O SER A 90 -12.925 63.193 -7.939 1.00 0.79 O ATOM 1331 CB SER A 90 -10.161 61.423 -7.323 1.00 0.36 C ATOM 1332 OG SER A 90 -10.628 60.090 -7.523 1.00 0.50 O ATOM 1333 HA SER A 90 -10.129 62.215 -9.223 1.00 0.00 H ATOM 1334 HB2 SER A 90 -10.477 61.734 -6.327 1.00 0.00 H ATOM 1335 HB3 SER A 90 -9.072 61.397 -7.366 1.00 0.00 H ATOM 1336 HG SER A 90 -11.617 60.077 -7.470 1.00 0.00 H ATOM 1337 H SER A 90 -10.140 64.008 -6.829 1.00 0.00 H ATOM 1338 N LYS A 91 -12.522 61.688 -9.521 1.00 1.41 N ATOM 1339 CA LYS A 91 -13.817 61.779 -10.221 1.00 0.97 C ATOM 1340 C LYS A 91 -14.205 60.363 -10.668 1.00 0.92 C ATOM 1341 O LYS A 91 -13.566 59.818 -11.586 1.00 0.59 O ATOM 1342 CB LYS A 91 -13.614 62.621 -11.498 1.00 1.37 C ATOM 1343 CG LYS A 91 -14.954 62.886 -12.167 1.00 1.30 C ATOM 1344 CD LYS A 91 -14.896 62.604 -13.673 1.00 1.36 C ATOM 1345 CE LYS A 91 -15.731 63.632 -14.434 1.00 1.38 C ATOM 1346 NZ LYS A 91 -17.088 63.756 -13.863 1.00 1.44 N ATOM 1347 HA LYS A 91 -14.576 62.219 -9.575 1.00 0.00 H ATOM 1348 HB2 LYS A 91 -13.148 63.570 -11.234 1.00 0.00 H ATOM 1349 HB3 LYS A 91 -12.967 62.080 -12.188 1.00 0.00 H ATOM 1350 HG2 LYS A 91 -15.709 62.243 -11.715 1.00 0.00 H ATOM 1351 HG3 LYS A 91 -15.227 63.930 -12.012 1.00 0.00 H ATOM 1352 HD2 LYS A 91 -13.861 62.659 -14.010 1.00 0.00 H ATOM 1353 HD3 LYS A 91 -15.288 61.606 -13.868 1.00 0.00 H ATOM 1354 HE2 LYS A 91 -15.812 63.322 -15.476 1.00 0.00 H ATOM 1355 HE3 LYS A 91 -15.234 64.601 -14.382 1.00 0.00 H ATOM 1356 HZ1 LYS A 91 -17.570 62.836 -13.915 1.00 0.00 H ATOM 1357 HZ2 LYS A 91 -17.019 64.057 -12.870 1.00 0.00 H ATOM 1358 HZ3 LYS A 91 -17.627 64.462 -14.404 1.00 0.00 H ATOM 1359 H LYS A 91 -11.865 60.946 -9.837 1.00 0.00 H ATOM 1360 N TYR A 92 -15.206 59.805 -10.018 1.00 0.61 N ATOM 1361 CA TYR A 92 -15.555 58.388 -10.353 1.00 0.74 C ATOM 1362 C TYR A 92 -16.152 58.388 -11.781 1.00 0.83 C ATOM 1363 O TYR A 92 -17.035 59.258 -11.946 1.00 0.62 O ATOM 1364 CB TYR A 92 -16.698 57.938 -9.422 1.00 0.43 C ATOM 1365 CG TYR A 92 -17.172 56.580 -9.975 1.00 0.62 C ATOM 1366 CD1 TYR A 92 -16.229 55.558 -10.088 1.00 1.07 C ATOM 1367 CD2 TYR A 92 -18.491 56.406 -10.366 1.00 0.83 C ATOM 1368 CE1 TYR A 92 -16.602 54.306 -10.566 1.00 1.17 C ATOM 1369 CE2 TYR A 92 -18.873 55.145 -10.845 1.00 1.13 C ATOM 1370 CZ TYR A 92 -17.934 54.119 -10.942 1.00 1.17 C ATOM 1371 OH TYR A 92 -18.318 52.907 -11.447 1.00 1.38 O ATOM 1372 HA TYR A 92 -14.679 57.747 -10.260 1.00 0.00 H ATOM 1373 HB3 TYR A 92 -17.512 58.662 -9.441 1.00 0.00 H ATOM 1374 HB2 TYR A 92 -16.336 57.828 -8.400 1.00 0.00 H ATOM 1375 HD2 TYR A 92 -19.208 57.224 -10.303 1.00 0.00 H ATOM 1376 HE2 TYR A 92 -19.906 54.966 -11.142 1.00 0.00 H ATOM 1377 HE1 TYR A 92 -15.877 53.496 -10.645 1.00 0.00 H ATOM 1378 HD1 TYR A 92 -15.194 55.742 -9.800 1.00 0.00 H ATOM 1379 HH TYR A 92 -17.543 52.291 -11.450 1.00 0.00 H ATOM 1380 H TYR A 92 -15.737 60.332 -9.295 1.00 0.00 H ATOM 1381 N PRO A 93 -15.695 57.579 -12.638 1.00 0.59 N ATOM 1382 CA PRO A 93 -15.149 56.224 -12.481 1.00 0.88 C ATOM 1383 C PRO A 93 -13.617 56.275 -12.681 1.00 0.53 C ATOM 1384 O PRO A 93 -12.968 55.240 -12.591 1.00 0.83 O ATOM 1385 CB PRO A 93 -15.757 55.571 -13.724 1.00 0.92 C ATOM 1386 CG PRO A 93 -15.984 56.664 -14.753 1.00 0.87 C ATOM 1387 CD PRO A 93 -16.008 57.976 -13.998 1.00 0.66 C ATOM 1388 HA PRO A 93 -15.352 55.742 -11.525 1.00 0.00 H ATOM 1389 HD3 PRO A 93 -15.259 58.665 -14.387 1.00 0.00 H ATOM 1390 HD2 PRO A 93 -16.992 58.442 -14.053 1.00 0.00 H ATOM 1391 HG3 PRO A 93 -16.934 56.507 -15.264 1.00 0.00 H ATOM 1392 HG2 PRO A 93 -15.175 56.666 -15.484 1.00 0.00 H ATOM 1393 HB2 PRO A 93 -15.073 54.821 -14.122 1.00 0.00 H ATOM 1394 HB3 PRO A 93 -16.705 55.097 -13.469 1.00 0.00 H ATOM 1395 N ASN A 94 -13.159 57.492 -12.869 1.00 0.72 N ATOM 1396 CA ASN A 94 -11.782 57.939 -12.991 1.00 1.28 C ATOM 1397 C ASN A 94 -11.150 58.174 -11.612 1.00 1.31 C ATOM 1398 O ASN A 94 -10.577 59.269 -11.483 1.00 0.52 O ATOM 1399 CB ASN A 94 -11.735 59.322 -13.695 1.00 1.07 C ATOM 1400 CG ASN A 94 -12.247 59.186 -15.120 1.00 1.31 C ATOM 1401 OD1 ASN A 94 -13.098 60.074 -15.607 1.00 1.41 O ATOM 1402 ND2 ASN A 94 -11.821 58.154 -15.830 1.00 1.44 N ATOM 1403 HA ASN A 94 -11.251 57.166 -13.546 1.00 0.00 H ATOM 1404 HB2 ASN A 94 -12.361 60.028 -13.150 1.00 0.00 H ATOM 1405 HB3 ASN A 94 -10.708 59.686 -13.711 1.00 0.00 H ATOM 1406 HD22 ASN A 94 -11.151 57.476 -15.413 1.00 0.00 H ATOM 1407 HD21 ASN A 94 -12.156 58.020 -16.806 1.00 0.00 H ATOM 1408 H ASN A 94 -13.881 58.237 -12.940 1.00 0.00 H ATOM 1409 N CYS A 95 -11.290 57.277 -10.699 1.00 0.63 N ATOM 1410 CA CYS A 95 -10.604 57.274 -9.406 1.00 0.60 C ATOM 1411 C CYS A 95 -9.098 57.388 -9.539 1.00 0.64 C ATOM 1412 O CYS A 95 -8.440 56.691 -10.324 1.00 0.73 O ATOM 1413 CB CYS A 95 -10.965 55.950 -8.687 1.00 0.33 C ATOM 1414 SG CYS A 95 -12.739 55.774 -8.689 1.00 0.43 S ATOM 1415 HA CYS A 95 -10.931 58.145 -8.838 1.00 0.00 H ATOM 1416 HB2 CYS A 95 -10.599 55.976 -7.661 1.00 0.00 H ATOM 1417 HB3 CYS A 95 -10.511 55.110 -9.212 1.00 0.00 H ATOM 1418 HG CYS A 95 -12.794 56.078 -10.034 1.00 0.00 H ATOM 1419 H CYS A 95 -11.943 56.492 -10.896 1.00 0.00 H ATOM 1420 N ALA A 96 -8.547 58.312 -8.757 1.00 0.44 N ATOM 1421 CA ALA A 96 -7.137 58.579 -8.536 1.00 0.54 C ATOM 1422 C ALA A 96 -6.735 58.644 -7.066 1.00 0.36 C ATOM 1423 O ALA A 96 -7.399 59.236 -6.214 1.00 0.35 O ATOM 1424 CB ALA A 96 -6.764 59.887 -9.227 1.00 0.29 C ATOM 1425 HA ALA A 96 -6.591 57.735 -8.958 1.00 0.00 H ATOM 1426 HB1 ALA A 96 -6.959 59.800 -10.296 1.00 0.00 H ATOM 1427 HB2 ALA A 96 -7.362 60.699 -8.812 1.00 0.00 H ATOM 1428 HB3 ALA A 96 -5.706 60.093 -9.065 1.00 0.00 H ATOM 1429 H ALA A 96 -9.211 58.921 -8.237 1.00 0.00 H ATOM 1430 N TYR A 97 -5.561 58.099 -6.745 1.00 0.33 N ATOM 1431 CA TYR A 97 -5.129 57.834 -5.388 1.00 0.32 C ATOM 1432 C TYR A 97 -3.709 58.355 -5.177 1.00 0.36 C ATOM 1433 O TYR A 97 -2.842 58.277 -6.030 1.00 0.43 O ATOM 1434 CB TYR A 97 -5.192 56.346 -5.023 1.00 0.51 C ATOM 1435 CG TYR A 97 -6.655 55.894 -4.867 1.00 0.38 C ATOM 1436 CD1 TYR A 97 -7.332 55.970 -3.651 1.00 0.23 C ATOM 1437 CD2 TYR A 97 -7.320 55.359 -5.966 1.00 0.41 C ATOM 1438 CE1 TYR A 97 -8.682 55.603 -3.556 1.00 0.20 C ATOM 1439 CE2 TYR A 97 -8.655 55.005 -5.908 1.00 0.40 C ATOM 1440 CZ TYR A 97 -9.355 55.166 -4.705 1.00 0.23 C ATOM 1441 OH TYR A 97 -10.650 54.779 -4.671 1.00 0.35 O ATOM 1442 HA TYR A 97 -5.822 58.358 -4.730 1.00 0.00 H ATOM 1443 HB3 TYR A 97 -4.663 56.183 -4.084 1.00 0.00 H ATOM 1444 HB2 TYR A 97 -4.717 55.762 -5.811 1.00 0.00 H ATOM 1445 HD2 TYR A 97 -6.773 55.215 -6.898 1.00 0.00 H ATOM 1446 HE2 TYR A 97 -9.158 54.605 -6.789 1.00 0.00 H ATOM 1447 HE1 TYR A 97 -9.202 55.657 -2.600 1.00 0.00 H ATOM 1448 HD1 TYR A 97 -6.805 56.319 -2.763 1.00 0.00 H ATOM 1449 HH TYR A 97 -11.020 54.947 -3.768 1.00 0.00 H ATOM 1450 H TYR A 97 -4.914 57.848 -7.519 1.00 0.00 H ATOM 1451 N LYS A 98 -3.489 58.852 -3.992 1.00 0.25 N ATOM 1452 CA LYS A 98 -2.109 59.175 -3.519 1.00 0.19 C ATOM 1453 C LYS A 98 -1.562 57.985 -2.750 1.00 0.21 C ATOM 1454 O LYS A 98 -2.293 57.457 -1.916 1.00 0.33 O ATOM 1455 CB LYS A 98 -2.247 60.415 -2.626 1.00 0.34 C ATOM 1456 CG LYS A 98 -0.950 60.818 -1.974 1.00 0.28 C ATOM 1457 CD LYS A 98 -1.182 61.893 -0.895 1.00 0.52 C ATOM 1458 CE LYS A 98 -0.019 61.877 0.101 1.00 0.81 C ATOM 1459 NZ LYS A 98 1.234 62.282 -0.572 1.00 0.44 N ATOM 1460 HA LYS A 98 -1.417 59.378 -4.336 1.00 0.00 H ATOM 1461 HB2 LYS A 98 -2.602 61.245 -3.236 1.00 0.00 H ATOM 1462 HB3 LYS A 98 -2.977 60.202 -1.845 1.00 0.00 H ATOM 1463 HG2 LYS A 98 -0.496 59.941 -1.512 1.00 0.00 H ATOM 1464 HG3 LYS A 98 -0.278 61.216 -2.734 1.00 0.00 H ATOM 1465 HD2 LYS A 98 -1.243 62.874 -1.366 1.00 0.00 H ATOM 1466 HD3 LYS A 98 -2.114 61.685 -0.369 1.00 0.00 H ATOM 1467 HE2 LYS A 98 0.097 60.871 0.504 1.00 0.00 H ATOM 1468 HE3 LYS A 98 -0.232 62.570 0.915 1.00 0.00 H ATOM 1469 HZ1 LYS A 98 1.439 61.620 -1.347 1.00 0.00 H ATOM 1470 HZ2 LYS A 98 1.126 63.243 -0.955 1.00 0.00 H ATOM 1471 HZ3 LYS A 98 2.015 62.267 0.114 1.00 0.00 H ATOM 1472 H LYS A 98 -4.295 59.028 -3.359 1.00 0.00 H ATOM 1473 N THR A 99 -0.406 57.461 -3.064 1.00 0.33 N ATOM 1474 CA THR A 99 0.267 56.322 -2.463 1.00 0.24 C ATOM 1475 C THR A 99 1.246 56.756 -1.384 1.00 0.29 C ATOM 1476 O THR A 99 2.193 57.440 -1.713 1.00 0.32 O ATOM 1477 CB THR A 99 1.139 55.617 -3.548 1.00 0.22 C ATOM 1478 OG1 THR A 99 0.214 55.159 -4.553 1.00 0.39 O ATOM 1479 CG2 THR A 99 1.828 54.474 -2.899 1.00 0.18 C ATOM 1480 HA THR A 99 -0.506 55.677 -2.046 1.00 0.00 H ATOM 1481 HB THR A 99 1.892 56.267 -3.993 1.00 0.00 H ATOM 1482 HG1 THR A 99 -0.273 55.934 -4.929 1.00 0.00 H ATOM 1483 HG23 THR A 99 2.520 54.849 -2.145 1.00 0.00 H ATOM 1484 HG21 THR A 99 1.089 53.827 -2.426 1.00 0.00 H ATOM 1485 HG22 THR A 99 2.379 53.909 -3.651 1.00 0.00 H ATOM 1486 H THR A 99 0.099 57.921 -3.848 1.00 0.00 H ATOM 1487 N THR A 100 1.018 56.297 -0.164 1.00 0.42 N ATOM 1488 CA THR A 100 2.032 56.476 0.875 1.00 0.25 C ATOM 1489 C THR A 100 2.460 55.112 1.437 1.00 0.48 C ATOM 1490 O THR A 100 1.638 54.441 2.059 1.00 0.26 O ATOM 1491 CB THR A 100 1.503 57.347 2.003 1.00 0.35 C ATOM 1492 OG1 THR A 100 0.900 58.540 1.498 1.00 0.38 O ATOM 1493 CG2 THR A 100 2.657 57.772 2.882 1.00 0.38 C ATOM 1494 HA THR A 100 2.893 56.970 0.426 1.00 0.00 H ATOM 1495 HB THR A 100 0.764 56.765 2.554 1.00 0.00 H ATOM 1496 HG1 THR A 100 0.145 58.301 0.903 1.00 0.00 H ATOM 1497 HG23 THR A 100 3.147 56.888 3.289 1.00 0.00 H ATOM 1498 HG21 THR A 100 3.371 58.344 2.290 1.00 0.00 H ATOM 1499 HG22 THR A 100 2.282 58.390 3.698 1.00 0.00 H ATOM 1500 H THR A 100 0.124 55.812 0.055 1.00 0.00 H ATOM 1501 N GLN A 101 3.733 54.778 1.269 1.00 0.32 N ATOM 1502 CA GLN A 101 4.424 53.625 1.831 1.00 0.33 C ATOM 1503 C GLN A 101 5.111 53.947 3.150 1.00 0.31 C ATOM 1504 O GLN A 101 5.882 54.898 3.210 1.00 0.47 O ATOM 1505 CB GLN A 101 5.397 53.013 0.830 1.00 0.30 C ATOM 1506 CG GLN A 101 6.349 51.981 1.492 1.00 0.22 C ATOM 1507 CD GLN A 101 5.602 50.666 1.776 1.00 0.27 C ATOM 1508 OE1 GLN A 101 4.691 50.213 0.927 1.00 0.39 O ATOM 1509 NE2 GLN A 101 5.965 49.946 2.813 1.00 0.32 N ATOM 1510 HA GLN A 101 3.660 52.879 2.049 1.00 0.00 H ATOM 1511 HB2 GLN A 101 4.827 52.513 0.047 1.00 0.00 H ATOM 1512 HB3 GLN A 101 5.995 53.810 0.389 1.00 0.00 H ATOM 1513 HG2 GLN A 101 7.185 51.782 0.822 1.00 0.00 H ATOM 1514 HG3 GLN A 101 6.726 52.390 2.429 1.00 0.00 H ATOM 1515 HE22 GLN A 101 6.681 50.310 3.474 1.00 0.00 H ATOM 1516 HE21 GLN A 101 5.537 49.012 2.973 1.00 0.00 H ATOM 1517 H GLN A 101 4.301 55.410 0.669 1.00 0.00 H ATOM 1518 N ALA A 102 4.869 53.227 4.219 1.00 0.46 N ATOM 1519 CA ALA A 102 5.410 53.410 5.563 1.00 0.21 C ATOM 1520 C ALA A 102 5.585 52.057 6.244 1.00 0.29 C ATOM 1521 O ALA A 102 5.042 51.067 5.727 1.00 0.36 O ATOM 1522 CB ALA A 102 4.488 54.279 6.408 1.00 0.25 C ATOM 1523 HA ALA A 102 6.376 53.906 5.472 1.00 0.00 H ATOM 1524 HB1 ALA A 102 4.380 55.256 5.938 1.00 0.00 H ATOM 1525 HB2 ALA A 102 3.511 53.802 6.485 1.00 0.00 H ATOM 1526 HB3 ALA A 102 4.915 54.399 7.404 1.00 0.00 H ATOM 1527 H ALA A 102 4.213 52.430 4.095 1.00 0.00 H ATOM 1528 N ASN A 103 6.317 52.080 7.327 1.00 0.33 N ATOM 1529 CA ASN A 103 6.323 51.013 8.342 1.00 0.17 C ATOM 1530 C ASN A 103 5.535 51.401 9.543 1.00 0.33 C ATOM 1531 O ASN A 103 5.883 52.353 10.255 1.00 0.35 O ATOM 1532 CB ASN A 103 7.740 50.561 8.675 1.00 0.23 C ATOM 1533 CG ASN A 103 8.246 49.698 7.450 1.00 0.32 C ATOM 1534 OD1 ASN A 103 8.599 48.456 7.638 1.00 1.38 O ATOM 1535 ND2 ASN A 103 8.304 50.245 6.274 1.00 1.07 N ATOM 1536 HA ASN A 103 5.823 50.143 7.917 1.00 0.00 H ATOM 1537 HB2 ASN A 103 8.387 51.427 8.817 1.00 0.00 H ATOM 1538 HB3 ASN A 103 7.738 49.958 9.583 1.00 0.00 H ATOM 1539 HD22 ASN A 103 8.018 51.237 6.147 1.00 0.00 H ATOM 1540 HD21 ASN A 103 8.637 49.691 5.459 1.00 0.00 H ATOM 1541 H ASN A 103 6.934 52.903 7.481 1.00 0.00 H ATOM 1542 N LYS A 104 4.320 50.880 9.720 1.00 0.25 N ATOM 1543 CA LYS A 104 3.543 51.370 10.912 1.00 0.17 C ATOM 1544 C LYS A 104 3.023 50.123 11.639 1.00 0.31 C ATOM 1545 O LYS A 104 3.086 49.054 11.051 1.00 0.33 O ATOM 1546 CB LYS A 104 2.334 52.133 10.335 1.00 0.34 C ATOM 1547 CG LYS A 104 2.700 53.589 10.117 1.00 0.30 C ATOM 1548 CD LYS A 104 2.296 54.086 8.764 1.00 1.26 C ATOM 1549 CE LYS A 104 0.842 54.421 8.699 1.00 0.55 C ATOM 1550 NZ LYS A 104 0.472 55.508 9.594 1.00 0.81 N ATOM 1551 HA LYS A 104 4.132 51.994 11.584 1.00 0.00 H ATOM 1552 HB2 LYS A 104 2.044 51.686 9.384 1.00 0.00 H ATOM 1553 HB3 LYS A 104 1.500 52.070 11.033 1.00 0.00 H ATOM 1554 HG2 LYS A 104 2.200 54.192 10.875 1.00 0.00 H ATOM 1555 HG3 LYS A 104 3.780 53.698 10.222 1.00 0.00 H ATOM 1556 HD2 LYS A 104 2.874 54.980 8.531 1.00 0.00 H ATOM 1557 HD3 LYS A 104 2.512 53.313 8.026 1.00 0.00 H ATOM 1558 HE2 LYS A 104 0.268 53.535 8.971 1.00 0.00 H ATOM 1559 HE3 LYS A 104 0.597 54.712 7.678 1.00 0.00 H ATOM 1560 HZ1 LYS A 104 0.693 55.239 10.574 1.00 0.00 H ATOM 1561 HZ2 LYS A 104 1.007 56.363 9.339 1.00 0.00 H ATOM 1562 HZ3 LYS A 104 -0.547 55.696 9.506 1.00 0.00 H ATOM 1563 H LYS A 104 3.929 50.171 9.067 1.00 0.00 H ATOM 1564 N HIS A 105 2.581 50.228 12.855 1.00 0.28 N ATOM 1565 CA HIS A 105 1.759 49.186 13.515 1.00 0.25 C ATOM 1566 C HIS A 105 0.365 49.199 12.839 1.00 0.62 C ATOM 1567 O HIS A 105 -0.059 50.315 12.514 1.00 0.33 O ATOM 1568 CB HIS A 105 1.463 49.681 14.972 1.00 0.35 C ATOM 1569 CG HIS A 105 2.737 49.683 15.778 1.00 0.33 C ATOM 1570 ND1 HIS A 105 3.147 48.623 16.608 1.00 0.45 N ATOM 1571 CD2 HIS A 105 3.626 50.720 15.916 1.00 0.28 C ATOM 1572 CE1 HIS A 105 4.357 48.999 17.187 1.00 0.57 C ATOM 1573 NE2 HIS A 105 4.658 50.302 16.768 1.00 0.33 N ATOM 1574 HA HIS A 105 2.261 48.220 13.470 1.00 0.00 H ATOM 1575 HB2 HIS A 105 1.056 50.691 14.936 1.00 0.00 H ATOM 1576 HB3 HIS A 105 0.739 49.015 15.441 1.00 0.00 H ATOM 1577 HD2 HIS A 105 3.544 51.699 15.445 1.00 0.00 H ATOM 1578 HE1 HIS A 105 4.965 48.385 17.852 1.00 0.00 H ATOM 1579 H HIS A 105 2.815 51.086 13.393 1.00 0.00 H ATOM 1580 N ILE A 106 -0.345 48.105 12.872 1.00 0.24 N ATOM 1581 CA ILE A 106 -1.738 48.101 12.364 1.00 0.31 C ATOM 1582 C ILE A 106 -2.695 47.787 13.503 1.00 0.26 C ATOM 1583 O ILE A 106 -2.245 47.177 14.481 1.00 0.32 O ATOM 1584 CB ILE A 106 -1.865 47.065 11.245 1.00 0.25 C ATOM 1585 CG1 ILE A 106 -1.572 45.664 11.784 1.00 0.29 C ATOM 1586 CG2 ILE A 106 -0.863 47.422 10.145 1.00 0.26 C ATOM 1587 CD1 ILE A 106 -2.130 44.507 10.933 1.00 0.17 C ATOM 1588 HA ILE A 106 -1.991 49.082 11.962 1.00 0.00 H ATOM 1589 HB ILE A 106 -2.880 47.071 10.847 1.00 0.00 H ATOM 1590 HG12 ILE A 106 -0.490 45.546 11.848 1.00 0.00 H ATOM 1591 HG13 ILE A 106 -2.004 45.589 12.782 1.00 0.00 H ATOM 1592 HD11 ILE A 106 -3.214 44.596 10.868 1.00 0.00 H ATOM 1593 HD12 ILE A 106 -1.699 44.553 9.933 1.00 0.00 H ATOM 1594 HD13 ILE A 106 -1.869 43.557 11.399 1.00 0.00 H ATOM 1595 HG21 ILE A 106 -1.086 48.417 9.761 1.00 0.00 H ATOM 1596 HG22 ILE A 106 0.146 47.408 10.556 1.00 0.00 H ATOM 1597 HG23 ILE A 106 -0.938 46.694 9.337 1.00 0.00 H ATOM 1598 H ILE A 106 0.068 47.231 13.256 1.00 0.00 H ATOM 1599 N ILE A 107 -3.897 48.282 13.441 1.00 0.32 N ATOM 1600 CA ILE A 107 -4.996 47.868 14.342 1.00 0.20 C ATOM 1601 C ILE A 107 -6.145 47.309 13.508 1.00 0.26 C ATOM 1602 O ILE A 107 -6.567 47.955 12.518 1.00 0.30 O ATOM 1603 CB ILE A 107 -5.492 49.064 15.140 1.00 0.25 C ATOM 1604 CG1 ILE A 107 -4.353 49.694 15.917 1.00 0.19 C ATOM 1605 CG2 ILE A 107 -6.645 48.711 16.058 1.00 0.20 C ATOM 1606 CD1 ILE A 107 -4.583 51.158 16.178 1.00 0.37 C ATOM 1607 HA ILE A 107 -4.629 47.106 15.029 1.00 0.00 H ATOM 1608 HB ILE A 107 -5.874 49.792 14.424 1.00 0.00 H ATOM 1609 HG12 ILE A 107 -4.252 49.179 16.872 1.00 0.00 H ATOM 1610 HG13 ILE A 107 -3.432 49.580 15.345 1.00 0.00 H ATOM 1611 HD11 ILE A 107 -4.677 51.685 15.228 1.00 0.00 H ATOM 1612 HD12 ILE A 107 -5.498 51.283 16.757 1.00 0.00 H ATOM 1613 HD13 ILE A 107 -3.740 51.563 16.737 1.00 0.00 H ATOM 1614 HG21 ILE A 107 -7.478 48.334 15.465 1.00 0.00 H ATOM 1615 HG22 ILE A 107 -6.324 47.945 16.764 1.00 0.00 H ATOM 1616 HG23 ILE A 107 -6.959 49.601 16.603 1.00 0.00 H ATOM 1617 H ILE A 107 -4.096 49.006 12.721 1.00 0.00 H ATOM 1618 N VAL A 108 -6.511 46.122 13.855 1.00 0.32 N ATOM 1619 CA VAL A 108 -7.524 45.287 13.231 1.00 0.46 C ATOM 1620 C VAL A 108 -8.549 44.855 14.287 1.00 0.25 C ATOM 1621 O VAL A 108 -8.252 44.680 15.475 1.00 0.27 O ATOM 1622 CB VAL A 108 -6.941 44.092 12.499 1.00 0.34 C ATOM 1623 CG1 VAL A 108 -6.233 44.404 11.193 1.00 0.22 C ATOM 1624 CG2 VAL A 108 -6.164 43.021 13.248 1.00 0.22 C ATOM 1625 HA VAL A 108 -8.021 45.883 12.465 1.00 0.00 H ATOM 1626 HB VAL A 108 -7.907 43.622 12.313 1.00 0.00 H ATOM 1627 HG11 VAL A 108 -6.935 44.874 10.504 1.00 0.00 H ATOM 1628 HG12 VAL A 108 -5.401 45.082 11.385 1.00 0.00 H ATOM 1629 HG13 VAL A 108 -5.856 43.479 10.756 1.00 0.00 H ATOM 1630 HG21 VAL A 108 -5.297 43.473 13.730 1.00 0.00 H ATOM 1631 HG22 VAL A 108 -6.807 42.569 14.003 1.00 0.00 H ATOM 1632 HG23 VAL A 108 -5.833 42.256 12.546 1.00 0.00 H ATOM 1633 H VAL A 108 -6.024 45.714 14.678 1.00 0.00 H ATOM 1634 N ALA A 109 -9.775 44.764 13.811 1.00 0.43 N ATOM 1635 CA ALA A 109 -10.931 44.126 14.408 1.00 0.18 C ATOM 1636 C ALA A 109 -11.049 42.679 14.041 1.00 0.49 C ATOM 1637 O ALA A 109 -11.043 42.301 12.849 1.00 0.28 O ATOM 1638 CB ALA A 109 -12.211 44.902 14.107 1.00 0.30 C ATOM 1639 HA ALA A 109 -10.780 44.148 15.487 1.00 0.00 H ATOM 1640 HB1 ALA A 109 -12.125 45.912 14.509 1.00 0.00 H ATOM 1641 HB2 ALA A 109 -12.360 44.951 13.028 1.00 0.00 H ATOM 1642 HB3 ALA A 109 -13.058 44.396 14.570 1.00 0.00 H ATOM 1643 H ALA A 109 -9.933 45.209 12.884 1.00 0.00 H ATOM 1644 N CYS A 110 -11.003 41.829 15.084 1.00 0.34 N ATOM 1645 CA CYS A 110 -11.139 40.405 14.815 1.00 0.27 C ATOM 1646 C CYS A 110 -12.456 39.855 15.263 1.00 0.31 C ATOM 1647 O CYS A 110 -13.060 40.340 16.223 1.00 0.39 O ATOM 1648 CB CYS A 110 -9.987 39.553 15.253 1.00 0.28 C ATOM 1649 SG CYS A 110 -8.440 40.453 15.298 1.00 0.32 S ATOM 1650 HA CYS A 110 -11.114 40.346 13.727 1.00 0.00 H ATOM 1651 HB2 CYS A 110 -9.886 38.719 14.558 1.00 0.00 H ATOM 1652 HB3 CYS A 110 -10.197 39.169 16.251 1.00 0.00 H ATOM 1653 HG CYS A 110 -9.136 41.065 14.275 1.00 0.00 H ATOM 1654 H CYS A 110 -10.874 42.180 16.054 1.00 0.00 H ATOM 1655 N GLU A 111 -12.821 38.818 14.540 1.00 0.24 N ATOM 1656 CA GLU A 111 -13.994 38.048 14.897 1.00 0.38 C ATOM 1657 C GLU A 111 -13.875 36.634 14.281 1.00 0.37 C ATOM 1658 O GLU A 111 -13.054 36.492 13.398 1.00 0.51 O ATOM 1659 CB GLU A 111 -15.286 38.664 14.389 1.00 0.43 C ATOM 1660 CG GLU A 111 -15.681 39.898 15.199 1.00 1.43 C ATOM 1661 CD GLU A 111 -16.834 40.553 14.415 1.00 1.44 C ATOM 1662 OE1 GLU A 111 -17.237 39.905 13.442 1.00 0.71 O ATOM 1663 OE2 GLU A 111 -17.308 41.638 14.706 1.00 1.33 O ATOM 1664 HA GLU A 111 -14.035 38.022 15.986 1.00 0.00 H ATOM 1665 HB2 GLU A 111 -15.154 38.953 13.346 1.00 0.00 H ATOM 1666 HB3 GLU A 111 -16.083 37.924 14.461 1.00 0.00 H ATOM 1667 HG2 GLU A 111 -16.014 39.609 16.196 1.00 0.00 H ATOM 1668 HG3 GLU A 111 -14.839 40.585 15.283 1.00 0.00 H ATOM 1669 H GLU A 111 -12.262 38.549 13.705 1.00 0.00 H ATOM 1670 N GLY A 112 -14.761 35.829 14.797 1.00 0.43 N ATOM 1671 CA GLY A 112 -15.159 34.526 14.418 1.00 0.42 C ATOM 1672 C GLY A 112 -14.396 33.403 15.112 1.00 0.37 C ATOM 1673 O GLY A 112 -13.746 33.622 16.132 1.00 0.65 O ATOM 1674 HA3 GLY A 112 -15.011 34.424 13.343 1.00 0.00 H ATOM 1675 HA2 GLY A 112 -16.218 34.412 14.650 1.00 0.00 H ATOM 1676 H GLY A 112 -15.259 36.209 15.627 1.00 0.00 H ATOM 1677 N ASN A 113 -14.573 32.245 14.538 1.00 0.61 N ATOM 1678 CA ASN A 113 -13.811 31.017 14.723 1.00 0.74 C ATOM 1679 C ASN A 113 -13.457 30.390 13.378 1.00 0.38 C ATOM 1680 O ASN A 113 -14.327 29.836 12.682 1.00 1.40 O ATOM 1681 CB ASN A 113 -14.605 30.014 15.569 1.00 1.06 C ATOM 1682 CG ASN A 113 -13.892 29.686 16.876 1.00 1.43 C ATOM 1683 OD1 ASN A 113 -13.407 30.650 17.657 1.00 1.36 O ATOM 1684 ND2 ASN A 113 -13.765 28.422 17.253 1.00 1.44 N ATOM 1685 HA ASN A 113 -12.888 31.271 15.245 1.00 0.00 H ATOM 1686 HB2 ASN A 113 -15.582 30.440 15.797 1.00 0.00 H ATOM 1687 HB3 ASN A 113 -14.735 29.095 14.997 1.00 0.00 H ATOM 1688 HD22 ASN A 113 -14.139 27.660 16.652 1.00 0.00 H ATOM 1689 HD21 ASN A 113 -13.291 28.192 18.150 1.00 0.00 H ATOM 1690 H ASN A 113 -15.360 32.191 13.860 1.00 0.00 H ATOM 1691 N PRO A 114 -12.210 30.525 12.940 1.00 1.00 N ATOM 1692 CA PRO A 114 -11.123 31.124 13.728 1.00 0.52 C ATOM 1693 C PRO A 114 -11.345 32.641 13.859 1.00 0.49 C ATOM 1694 O PRO A 114 -11.986 33.235 12.988 1.00 0.50 O ATOM 1695 CB PRO A 114 -9.946 30.856 12.823 1.00 0.78 C ATOM 1696 CG PRO A 114 -10.410 30.310 11.502 1.00 0.52 C ATOM 1697 CD PRO A 114 -11.914 30.281 11.537 1.00 1.44 C ATOM 1698 HA PRO A 114 -11.023 30.737 14.742 1.00 0.00 H ATOM 1699 HD3 PRO A 114 -12.337 31.062 10.905 1.00 0.00 H ATOM 1700 HD2 PRO A 114 -12.296 29.311 11.218 1.00 0.00 H ATOM 1701 HG3 PRO A 114 -10.020 29.303 11.356 1.00 0.00 H ATOM 1702 HG2 PRO A 114 -10.067 30.952 10.691 1.00 0.00 H ATOM 1703 HB2 PRO A 114 -9.403 31.786 12.656 1.00 0.00 H ATOM 1704 HB3 PRO A 114 -9.285 30.131 13.299 1.00 0.00 H ATOM 1705 N TYR A 115 -10.871 33.208 14.903 1.00 0.34 N ATOM 1706 CA TYR A 115 -10.841 34.651 15.235 1.00 0.42 C ATOM 1707 C TYR A 115 -9.799 35.308 14.308 1.00 0.33 C ATOM 1708 O TYR A 115 -8.614 35.117 14.629 1.00 0.34 O ATOM 1709 CB TYR A 115 -10.262 34.770 16.662 1.00 0.40 C ATOM 1710 CG TYR A 115 -10.587 36.059 17.368 1.00 0.44 C ATOM 1711 CD1 TYR A 115 -11.920 36.441 17.491 1.00 0.34 C ATOM 1712 CD2 TYR A 115 -9.550 36.807 17.992 1.00 0.26 C ATOM 1713 CE1 TYR A 115 -12.262 37.618 18.159 1.00 0.34 C ATOM 1714 CE2 TYR A 115 -9.894 37.942 18.722 1.00 0.25 C ATOM 1715 CZ TYR A 115 -11.230 38.343 18.779 1.00 0.26 C ATOM 1716 OH TYR A 115 -11.591 39.518 19.401 1.00 0.49 O ATOM 1717 HA TYR A 115 -11.829 35.103 15.141 1.00 0.00 H ATOM 1718 HB3 TYR A 115 -9.177 34.682 16.597 1.00 0.00 H ATOM 1719 HB2 TYR A 115 -10.657 33.947 17.258 1.00 0.00 H ATOM 1720 HD2 TYR A 115 -8.509 36.498 17.901 1.00 0.00 H ATOM 1721 HE2 TYR A 115 -9.126 38.513 19.245 1.00 0.00 H ATOM 1722 HE1 TYR A 115 -13.295 37.963 18.198 1.00 0.00 H ATOM 1723 HD1 TYR A 115 -12.703 35.816 17.062 1.00 0.00 H ATOM 1724 HH TYR A 115 -11.319 39.484 20.352 1.00 0.00 H ATOM 1725 H TYR A 115 -10.452 32.572 15.611 1.00 0.00 H ATOM 1726 N VAL A 116 -10.230 35.885 13.235 1.00 0.42 N ATOM 1727 CA VAL A 116 -9.256 36.445 12.224 1.00 0.27 C ATOM 1728 C VAL A 116 -9.703 37.900 11.995 1.00 0.36 C ATOM 1729 O VAL A 116 -10.835 38.230 12.404 1.00 0.35 O ATOM 1730 CB VAL A 116 -9.504 35.690 10.899 1.00 0.24 C ATOM 1731 CG1 VAL A 116 -8.905 34.323 11.041 1.00 0.31 C ATOM 1732 CG2 VAL A 116 -10.939 35.638 10.359 1.00 0.41 C ATOM 1733 HA VAL A 116 -8.217 36.363 12.544 1.00 0.00 H ATOM 1734 HB VAL A 116 -9.019 36.281 10.123 1.00 0.00 H ATOM 1735 HG11 VAL A 116 -7.836 34.414 11.234 1.00 0.00 H ATOM 1736 HG12 VAL A 116 -9.382 33.803 11.872 1.00 0.00 H ATOM 1737 HG13 VAL A 116 -9.063 33.761 10.120 1.00 0.00 H ATOM 1738 HG21 VAL A 116 -11.583 35.149 11.090 1.00 0.00 H ATOM 1739 HG22 VAL A 116 -11.295 36.652 10.179 1.00 0.00 H ATOM 1740 HG23 VAL A 116 -10.954 35.076 9.425 1.00 0.00 H ATOM 1741 H VAL A 116 -11.253 35.964 13.066 1.00 0.00 H ATOM 1742 N PRO A 117 -8.896 38.682 11.385 1.00 0.37 N ATOM 1743 CA PRO A 117 -9.208 40.085 11.063 1.00 0.33 C ATOM 1744 C PRO A 117 -10.395 40.218 10.156 1.00 0.37 C ATOM 1745 O PRO A 117 -10.592 39.443 9.208 1.00 0.30 O ATOM 1746 CB PRO A 117 -7.915 40.526 10.464 1.00 0.25 C ATOM 1747 CG PRO A 117 -6.851 39.464 10.635 1.00 0.30 C ATOM 1748 CD PRO A 117 -7.622 38.185 10.964 1.00 0.37 C ATOM 1749 HA PRO A 117 -9.517 40.697 11.911 1.00 0.00 H ATOM 1750 HD3 PRO A 117 -7.720 37.548 10.085 1.00 0.00 H ATOM 1751 HD2 PRO A 117 -7.134 37.627 11.763 1.00 0.00 H ATOM 1752 HG3 PRO A 117 -6.175 39.725 11.449 1.00 0.00 H ATOM 1753 HG2 PRO A 117 -6.279 39.342 9.715 1.00 0.00 H ATOM 1754 HB2 PRO A 117 -8.061 40.718 9.401 1.00 0.00 H ATOM 1755 HB3 PRO A 117 -7.588 41.442 10.956 1.00 0.00 H ATOM 1756 N VAL A 118 -11.359 41.079 10.499 1.00 0.27 N ATOM 1757 CA VAL A 118 -12.494 41.360 9.638 1.00 0.32 C ATOM 1758 C VAL A 118 -12.581 42.849 9.334 1.00 0.36 C ATOM 1759 O VAL A 118 -13.221 43.188 8.339 1.00 0.35 O ATOM 1760 CB VAL A 118 -13.828 40.888 10.285 1.00 0.16 C ATOM 1761 CG1 VAL A 118 -13.816 39.344 10.289 1.00 0.23 C ATOM 1762 CG2 VAL A 118 -14.025 41.328 11.752 1.00 0.19 C ATOM 1763 HA VAL A 118 -12.342 40.808 8.710 1.00 0.00 H ATOM 1764 HB VAL A 118 -14.631 41.336 9.700 1.00 0.00 H ATOM 1765 HG11 VAL A 118 -13.737 38.980 9.265 1.00 0.00 H ATOM 1766 HG12 VAL A 118 -12.963 38.990 10.868 1.00 0.00 H ATOM 1767 HG13 VAL A 118 -14.739 38.976 10.737 1.00 0.00 H ATOM 1768 HG21 VAL A 118 -13.218 40.924 12.363 1.00 0.00 H ATOM 1769 HG22 VAL A 118 -14.015 42.417 11.808 1.00 0.00 H ATOM 1770 HG23 VAL A 118 -14.981 40.953 12.117 1.00 0.00 H ATOM 1771 H VAL A 118 -11.293 41.565 11.416 1.00 0.00 H ATOM 1772 N HIS A 119 -11.821 43.715 9.978 1.00 0.23 N ATOM 1773 CA HIS A 119 -11.814 45.137 9.682 1.00 0.28 C ATOM 1774 C HIS A 119 -10.378 45.680 9.782 1.00 0.26 C ATOM 1775 O HIS A 119 -9.659 45.122 10.567 1.00 0.30 O ATOM 1776 CB HIS A 119 -12.625 45.959 10.711 1.00 0.34 C ATOM 1777 CG HIS A 119 -14.090 45.623 10.541 1.00 0.30 C ATOM 1778 ND1 HIS A 119 -14.812 45.903 9.380 1.00 1.08 N ATOM 1779 CD2 HIS A 119 -14.915 44.967 11.424 1.00 1.01 C ATOM 1780 CE1 HIS A 119 -16.078 45.379 9.530 1.00 0.37 C ATOM 1781 NE2 HIS A 119 -16.153 44.810 10.799 1.00 0.44 N ATOM 1782 HA HIS A 119 -12.245 45.238 8.686 1.00 0.00 H ATOM 1783 HB2 HIS A 119 -12.303 45.705 11.721 1.00 0.00 H ATOM 1784 HB3 HIS A 119 -12.469 47.024 10.538 1.00 0.00 H ATOM 1785 HD2 HIS A 119 -14.651 44.632 12.427 1.00 0.00 H ATOM 1786 HE1 HIS A 119 -16.877 45.405 8.789 1.00 0.00 H ATOM 1787 H HIS A 119 -11.198 43.363 10.733 1.00 0.00 H ATOM 1788 N PHE A 120 -10.173 46.755 9.072 1.00 0.31 N ATOM 1789 CA PHE A 120 -8.908 47.495 9.168 1.00 0.26 C ATOM 1790 C PHE A 120 -9.189 48.838 9.842 1.00 0.42 C ATOM 1791 O PHE A 120 -9.779 49.665 9.193 1.00 0.23 O ATOM 1792 CB PHE A 120 -8.327 47.794 7.785 1.00 0.15 C ATOM 1793 CG PHE A 120 -6.851 48.206 7.994 1.00 0.20 C ATOM 1794 CD1 PHE A 120 -6.537 49.498 8.357 1.00 0.24 C ATOM 1795 CD2 PHE A 120 -5.873 47.212 7.959 1.00 0.29 C ATOM 1796 CE1 PHE A 120 -5.206 49.835 8.620 1.00 0.20 C ATOM 1797 CE2 PHE A 120 -4.551 47.525 8.247 1.00 0.24 C ATOM 1798 CZ PHE A 120 -4.208 48.850 8.541 1.00 0.21 C ATOM 1799 HA PHE A 120 -8.199 46.888 9.731 1.00 0.00 H ATOM 1800 HB2 PHE A 120 -8.383 46.906 7.155 1.00 0.00 H ATOM 1801 HB3 PHE A 120 -8.880 48.607 7.314 1.00 0.00 H ATOM 1802 HD2 PHE A 120 -6.147 46.188 7.705 1.00 0.00 H ATOM 1803 HE2 PHE A 120 -3.788 46.747 8.244 1.00 0.00 H ATOM 1804 HZ PHE A 120 -3.165 49.118 8.709 1.00 0.00 H ATOM 1805 HE1 PHE A 120 -4.944 50.859 8.886 1.00 0.00 H ATOM 1806 HD1 PHE A 120 -7.321 50.251 8.438 1.00 0.00 H ATOM 1807 H PHE A 120 -10.917 47.093 8.428 1.00 0.00 H ATOM 1808 N ASP A 121 -8.811 48.937 11.084 1.00 0.34 N ATOM 1809 CA ASP A 121 -9.276 50.097 11.898 1.00 0.22 C ATOM 1810 C ASP A 121 -8.394 51.293 11.665 1.00 0.36 C ATOM 1811 O ASP A 121 -8.741 52.448 11.417 1.00 0.25 O ATOM 1812 CB ASP A 121 -9.278 49.680 13.365 1.00 0.30 C ATOM 1813 CG ASP A 121 -10.068 50.712 14.181 1.00 0.30 C ATOM 1814 OD1 ASP A 121 -11.287 50.631 14.101 1.00 0.42 O ATOM 1815 OD2 ASP A 121 -9.489 51.618 14.777 1.00 0.37 O ATOM 1816 HA ASP A 121 -10.285 50.385 11.604 1.00 0.00 H ATOM 1817 HB2 ASP A 121 -9.745 48.700 13.465 1.00 0.00 H ATOM 1818 HB3 ASP A 121 -8.253 49.632 13.732 1.00 0.00 H ATOM 1819 H ASP A 121 -8.191 48.215 11.504 1.00 0.00 H ATOM 1820 N ALA A 122 -7.076 51.050 11.622 1.00 0.29 N ATOM 1821 CA ALA A 122 -6.174 52.221 11.455 1.00 0.27 C ATOM 1822 C ALA A 122 -4.737 51.690 11.537 1.00 0.29 C ATOM 1823 O ALA A 122 -4.596 50.488 11.853 1.00 0.36 O ATOM 1824 CB ALA A 122 -6.393 53.167 12.638 1.00 0.24 C ATOM 1825 HA ALA A 122 -6.362 52.738 10.514 1.00 0.00 H ATOM 1826 HB1 ALA A 122 -7.433 53.494 12.653 1.00 0.00 H ATOM 1827 HB2 ALA A 122 -6.162 52.645 13.567 1.00 0.00 H ATOM 1828 HB3 ALA A 122 -5.740 54.034 12.534 1.00 0.00 H ATOM 1829 H ALA A 122 -6.700 50.084 11.702 1.00 0.00 H ATOM 1830 N SER A 123 -3.794 52.496 11.135 1.00 0.38 N ATOM 1831 CA SER A 123 -2.358 52.202 11.387 1.00 0.31 C ATOM 1832 C SER A 123 -1.755 53.327 12.195 1.00 0.47 C ATOM 1833 O SER A 123 -2.269 54.449 12.083 1.00 0.32 O ATOM 1834 CB SER A 123 -1.618 52.026 10.072 1.00 0.31 C ATOM 1835 OG SER A 123 -1.664 53.239 9.358 1.00 0.41 O ATOM 1836 HA SER A 123 -2.269 51.273 11.949 1.00 0.00 H ATOM 1837 HB2 SER A 123 -2.093 51.238 9.487 1.00 0.00 H ATOM 1838 HB3 SER A 123 -0.581 51.756 10.269 1.00 0.00 H ATOM 1839 HG SER A 123 -2.608 53.482 9.182 1.00 0.00 H ATOM 1840 H SER A 123 -4.052 53.365 10.626 1.00 0.00 H ATOM 1841 N VAL A 124 -0.804 53.038 13.069 1.00 0.29 N ATOM 1842 CA VAL A 124 -0.360 54.152 13.974 1.00 0.67 C ATOM 1843 C VAL A 124 1.130 54.321 13.866 1.00 0.32 C ATOM 1844 O VAL A 124 1.834 53.267 13.768 1.00 0.44 O ATOM 1845 CB VAL A 124 -0.888 53.925 15.356 1.00 0.35 C ATOM 1846 CG1 VAL A 124 -1.654 52.703 15.776 1.00 0.39 C ATOM 1847 CG2 VAL A 124 -0.117 54.533 16.514 1.00 0.59 C ATOM 1848 HA VAL A 124 -0.781 55.110 13.668 1.00 0.00 H ATOM 1849 OXT VAL A 124 1.702 55.506 13.781 1.00 0.86 O ATOM 1850 HB VAL A 124 -1.731 54.554 15.070 1.00 0.00 H ATOM 1851 HG11 VAL A 124 -2.560 52.619 15.176 1.00 0.00 H ATOM 1852 HG12 VAL A 124 -1.035 51.818 15.627 1.00 0.00 H ATOM 1853 HG13 VAL A 124 -1.921 52.787 16.829 1.00 0.00 H ATOM 1854 HG21 VAL A 124 0.897 54.132 16.524 1.00 0.00 H ATOM 1855 HG22 VAL A 124 -0.080 55.616 16.395 1.00 0.00 H ATOM 1856 HG23 VAL A 124 -0.616 54.286 17.451 1.00 0.00 H ATOM 1857 H VAL A 124 -0.385 52.088 13.126 1.00 0.00 H TER 1858 VAL A 124 HETATM 1859 O HOH 1 -12.654 32.919 8.155 1.00 0.55 O HETATM 1860 O HOH 2 -14.316 35.779 10.881 1.00 0.45 O HETATM 1861 O HOH 3 3.576 42.506 15.587 1.00 0.44 O HETATM 1862 O HOH 4 5.113 38.556 6.959 1.00 0.36 O HETATM 1863 O HOH 5 -19.041 35.665 7.963 1.00 0.40 O HETATM 1864 O HOH 6 -13.442 32.766 4.969 1.00 0.25 O HETATM 1865 O HOH 7 -10.311 36.931 -0.679 1.00 0.52 O HETATM 1866 O HOH 8 -9.224 37.781 7.272 1.00 0.31 O HETATM 1867 O HOH 9 2.486 39.542 13.560 1.00 0.49 O HETATM 1868 O HOH 10 -5.120 32.722 13.293 1.00 1.04 O HETATM 1869 O HOH 11 -10.087 31.334 17.103 1.00 0.61 O HETATM 1870 O HOH 12 -4.055 34.700 16.125 1.00 1.03 O HETATM 1871 O HOH 13 7.341 49.707 17.826 1.00 0.62 O HETATM 1872 O HOH 14 -0.793 50.156 26.946 1.00 0.45 O HETATM 1873 O HOH 15 -2.798 46.308 27.985 1.00 0.55 O HETATM 1874 O HOH 16 0.820 58.792 -5.419 1.00 0.33 O HETATM 1875 O HOH 17 -15.995 34.340 0.631 1.00 0.31 O HETATM 1876 O HOH 18 -14.531 42.540 6.082 1.00 0.41 O HETATM 1877 O HOH 19 -8.146 35.592 7.153 1.00 0.44 O HETATM 1878 O HOH 20 -4.547 39.313 27.322 1.00 0.40 O HETATM 1879 O HOH 21 -20.419 32.242 2.796 1.00 0.52 O HETATM 1880 O HOH 22 -15.354 35.649 8.173 1.00 0.38 O HETATM 1881 O HOH 23 -2.501 38.621 24.586 1.00 0.64 O HETATM 1882 O HOH 24 6.026 54.983 16.432 1.00 0.88 O HETATM 1883 O HOH 25 5.421 56.481 -0.831 1.00 0.58 O HETATM 1884 O HOH 26 -4.743 28.833 4.836 1.00 0.77 O HETATM 1885 O HOH 27 -0.844 33.099 12.730 1.00 0.39 O HETATM 1886 O HOH 28 -4.771 41.712 -7.670 1.00 0.64 O HETATM 1887 O HOH 29 -1.737 58.170 1.284 1.00 0.31 O HETATM 1888 O HOH 30 -13.420 40.650 -6.481 1.00 0.39 O HETATM 1889 O HOH 31 -12.565 54.272 2.738 1.00 0.35 O HETATM 1890 O HOH 32 -12.150 44.350 5.286 1.00 0.40 O HETATM 1891 O HOH 33 -12.635 37.028 -1.716 1.00 0.50 O HETATM 1892 O HOH 34 2.790 60.347 -1.831 1.00 0.44 O HETATM 1893 O HOH 35 -2.486 61.084 -6.387 1.00 1.39 O HETATM 1894 O HOH 36 -5.133 55.389 10.089 1.00 0.39 O HETATM 1895 O HOH 37 -3.303 53.439 7.108 1.00 0.50 O HETATM 1896 O HOH 38 -14.784 34.933 -1.970 1.00 0.59 O HETATM 1897 O HOH 39 -13.120 55.725 4.890 1.00 0.47 O HETATM 1898 O HOH 40 -9.576 32.943 7.480 1.00 0.81 O HETATM 1899 O HOH 41 -16.600 58.583 -6.202 1.00 0.66 O HETATM 1900 O HOH 42 -10.572 53.150 -11.362 1.00 0.72 O HETATM 1901 O HOH 43 -4.036 42.935 25.621 1.00 0.46 O HETATM 1902 O HOH 44 7.405 43.366 11.204 1.00 0.67 O HETATM 1903 O HOH 45 -12.078 40.812 -12.002 1.00 1.04 O HETATM 1904 O HOH 46 -8.089 53.516 -9.738 1.00 0.49 O HETATM 1905 O HOH 47 -16.037 37.052 17.699 1.00 0.82 O HETATM 1906 O HOH 48 -2.738 31.452 7.856 1.00 0.92 O HETATM 1907 O HOH 49 2.600 51.407 19.897 1.00 0.79 O HETATM 1908 O HOH 50 -1.370 41.166 -6.244 1.00 0.87 O HETATM 1909 O HOH 51 -4.162 40.428 24.340 1.00 0.89 O HETATM 1910 O HOH 52 1.730 43.984 -6.006 1.00 0.83 O HETATM 1911 O HOH 53 8.401 43.264 -4.366 1.00 0.97 O HETATM 1912 O HOH 54 2.042 37.492 18.885 1.00 0.41 O HETATM 1913 O HOH 55 -13.152 51.717 -12.382 1.00 0.75 O HETATM 1914 O HOH 56 -12.666 48.644 12.667 1.00 0.56 O HETATM 1915 O HOH 57 -16.047 43.996 14.352 1.00 0.56 O HETATM 1916 O HOH 58 -5.254 57.696 5.672 1.00 0.63 O HETATM 1917 O HOH 59 -13.166 48.968 10.350 1.00 0.45 O HETATM 1918 O HOH 60 -15.335 46.883 15.041 1.00 0.57 O HETATM 1919 O HOH 61 -3.749 35.864 23.900 1.00 0.91 O HETATM 1920 O HOH 62 -7.367 56.053 9.431 1.00 0.64 O HETATM 1921 O HOH 63 -16.945 56.412 19.025 1.00 0.91 O HETATM 1922 O HOH 64 -10.654 33.533 2.860 1.00 0.56 O HETATM 1923 O HOH 65 -15.446 48.600 2.409 1.00 0.86 O HETATM 1924 O HOH 66 -15.792 52.264 2.943 1.00 1.41 O HETATM 1925 O HOH 67 -17.349 39.315 10.833 1.00 0.84 O HETATM 1926 O HOH 68 -4.856 50.070 31.032 1.00 0.64 O HETATM 1927 O HOH 69 -17.315 45.204 22.277 1.00 0.79 O HETATM 1928 O HOH 70 -11.491 52.022 9.868 1.00 0.79 O HETATM 1929 O HOH 71 -7.038 37.002 21.024 1.00 0.62 O HETATM 1930 O HOH 72 -17.127 32.238 12.050 1.00 0.86 O HETATM 1931 O HOH 73 -13.821 33.598 10.857 1.00 0.73 O HETATM 1932 O HOH 74 -9.740 34.807 0.105 1.00 0.71 O HETATM 1933 O HOH 75 4.592 49.455 -7.197 1.00 0.63 O HETATM 1934 O HOH 76 -10.400 61.934 -11.862 1.00 0.68 O HETATM 1935 O HOH 77 5.100 55.960 11.287 1.00 0.63 O HETATM 1936 O HOH 78 8.517 50.964 3.693 1.00 0.73 O HETATM 1937 O HOH 79 -24.834 34.328 1.299 1.00 0.87 O HETATM 1938 O HOH 80 -15.265 58.889 -2.712 1.00 0.65 O HETATM 1939 O HOH 81 -7.810 30.570 9.075 1.00 0.95 O HETATM 1940 O HOH 82 5.666 41.163 1.814 1.00 0.65 O HETATM 1941 O HOH 83 -17.249 44.742 -0.967 1.00 0.89 O HETATM 1942 O HOH 84 -2.994 56.392 8.364 1.00 0.68 O HETATM 1943 O HOH 85 7.686 39.850 -0.314 1.00 1.42 O HETATM 1944 O HOH 86 6.436 33.667 -5.548 1.00 1.22 O HETATM 1945 O HOH 87 8.017 55.795 -4.320 1.00 0.84 O HETATM 1946 O HOH 88 -15.984 51.378 -13.326 1.00 1.10 O HETATM 1947 O HOH 89 5.745 34.719 8.153 1.00 0.87 O HETATM 1948 O HOH 90 -14.938 47.439 -1.990 1.00 1.07 O HETATM 1949 O HOH 91 -0.306 59.278 -8.010 1.00 0.71 O HETATM 1950 O HOH 92 7.584 40.537 9.525 1.00 1.25 O HETATM 1951 O HOH 93 -9.157 33.124 -2.179 1.00 0.89 O HETATM 1952 O HOH 94 -7.760 63.021 -11.543 1.00 1.14 O HETATM 1953 O HOH 95 -16.146 45.154 5.325 1.00 0.92 O HETATM 1954 O HOH 96 8.067 55.201 7.431 1.00 0.87 O HETATM 1955 O HOH 97 -7.065 39.879 25.131 1.00 0.86 O HETATM 1956 O HOH 98 -5.082 48.253 -13.082 1.00 1.27 O HETATM 1957 O HOH 99 10.731 46.802 -3.257 1.00 1.26 O HETATM 1958 O HOH 100 -19.208 40.588 3.007 1.00 0.74 O HETATM 1959 O HOH 101 8.375 52.800 17.478 1.00 1.05 O HETATM 1960 O HOH 102 -19.404 41.329 5.491 1.00 1.00 O HETATM 1961 O HOH 103 -10.630 66.604 -12.057 1.00 0.87 O HETATM 1962 O HOH 104 9.689 53.652 5.396 1.00 0.85 O HETATM 1963 O HOH 105 2.322 34.124 12.793 1.00 1.02 O HETATM 1964 O HOH 106 -11.346 54.985 9.253 1.00 1.07 O HETATM 1965 O HOH 107 -9.552 48.580 -17.174 1.00 1.43 O HETATM 1966 O HOH 108 -16.921 35.967 11.465 1.00 0.94 O HETATM 1967 O HOH 109 -6.591 37.230 28.278 1.00 0.86 O HETATM 1968 O HOH 110 -1.628 55.758 -6.703 1.00 0.42 O HETATM 1969 O HOH 111 -2.731 59.663 -8.768 1.00 0.57 O HETATM 1970 O HOH 112 -14.144 50.232 14.215 1.00 0.95 O HETATM 1971 O HOH 113 -20.229 39.982 -0.732 1.00 1.12 O HETATM 1972 O HOH 114 -12.826 48.413 -9.835 1.00 0.99 O HETATM 1973 O HOH 115 -12.198 63.261 -4.425 1.00 1.18 O HETATM 1974 P C A 3 -13.007 47.578 6.678 1.00 0.20 P HETATM 1975 O1P C A 3 -12.495 47.755 8.066 1.00 -0.55 O HETATM 1976 O2P C A 3 -11.909 46.966 5.845 1.00 -0.55 O HETATM 1977 O3P C A 3 -14.292 46.843 6.513 1.00 -0.55 O HETATM 1978 O3' C A 3 -13.300 49.035 6.062 1.00 -0.27 O HETATM 1979 C3' C A 3 -12.385 50.076 6.114 1.00 0.15 C HETATM 1980 C4' C A 3 -12.940 51.438 5.823 1.00 0.12 C HETATM 1981 C5' C A 3 -13.624 52.123 7.034 1.00 0.07 C HETATM 1982 O5' C A 3 -14.672 52.951 6.555 1.00 -0.39 O HETATM 1983 H1 C A 3 -15.099 53.376 7.289 1.00 0.21 H HETATM 1984 H2 C A 3 -14.036 51.358 7.708 1.00 0.06 H HETATM 1985 H3 C A 3 -12.889 52.734 7.578 1.00 0.06 H HETATM 1986 O4' C A 3 -11.881 52.123 5.071 1.00 -0.34 O HETATM 1987 C1' C A 3 -10.733 51.309 4.911 1.00 0.21 C HETATM 1988 C2' C A 3 -11.198 49.911 5.169 1.00 0.14 C HETATM 1989 O2' C A 3 -11.347 48.779 4.286 1.00 -0.38 O HETATM 1990 H7 C A 3 -11.424 47.985 4.801 1.00 0.21 H HETATM 1991 H6 C A 3 -10.384 49.536 5.806 1.00 0.07 H HETATM 1992 N1 C A 3 -9.685 51.840 5.735 1.00 -0.15 N HETATM 1993 C2 C A 3 -8.441 51.398 5.523 1.00 0.35 C HETATM 1994 N3 C A 3 -7.435 51.961 6.211 1.00 -0.19 N HETATM 1995 C4 C A 3 -7.666 52.898 7.128 1.00 0.09 C HETATM 1996 C5 C A 3 -8.971 53.330 7.365 1.00 0.00 C HETATM 1997 C6 C A 3 -9.942 52.824 6.643 1.00 0.07 C HETATM 1998 H11 C A 3 -10.959 53.192 6.769 1.00 0.13 H HETATM 1999 H10 C A 3 -9.179 54.072 8.134 1.00 0.03 H HETATM 2000 N4 C A 3 -6.724 53.496 7.843 1.00 -0.43 N HETATM 2001 H12 C A 3 -6.975 54.198 8.521 1.00 0.03 H HETATM 2002 H9 C A 3 -6.495 51.671 6.031 1.00 0.24 H HETATM 2003 O2 C A 3 -8.287 50.525 4.700 1.00 -0.38 O HETATM 2004 H8 C A 3 -10.384 51.359 3.869 1.00 0.10 H HETATM 2005 H4 C A 3 -13.763 51.297 5.106 1.00 0.07 H HETATM 2006 H5 C A 3 -11.998 50.087 7.144 1.00 0.07 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 371 1250 CONECT 602 601 606 1414 CONECT 871 870 875 1649 CONECT 972 971 976 1071 CONECT 1071 972 1070 1075 CONECT 1250 367 1249 1254 CONECT 1414 602 1413 1418 CONECT 1649 871 1648 1653 CONECT 1974 1975 1976 1977 1978 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1974 CONECT 1978 1974 1979 CONECT 1979 1978 1980 1988 2006 CONECT 1980 1979 1981 1986 2005 CONECT 1981 1980 1982 1984 1985 CONECT 1982 1981 1983 CONECT 1983 1982 CONECT 1984 1981 CONECT 1985 1981 CONECT 1986 1980 1987 CONECT 1987 1986 1988 1992 2004 CONECT 1988 1979 1987 1989 1991 CONECT 1989 1988 1990 CONECT 1990 1989 CONECT 1991 1988 CONECT 1992 1987 1993 1997 CONECT 1993 1992 1994 2003 CONECT 1994 1993 1995 2002 CONECT 1995 1994 1996 2000 CONECT 1996 1995 1997 1999 CONECT 1997 1992 1996 1998 CONECT 1998 1997 CONECT 1999 1996 CONECT 2000 1995 2001 CONECT 2001 2000 CONECT 2002 1994 CONECT 2003 1993 CONECT 2004 1987 CONECT 2005 1980 CONECT 2006 1979 MASTER 0 0 0 0 0 0 0 0 2005 1 45 10 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 1rpf
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PDB Code
Check Database
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RCSB PDB
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RCSB PDB
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PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
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RCSB PDB
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124aa, >1W4O_1|Chains... at 99%
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RCSB PDB
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RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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3d6o
RCSB PDB
PDBbind
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3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
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PDBbind
124aa, >3D7B_1|Chains... at 99%
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124aa, >3D8Z_1|Chains... at 99%
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PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
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124aa, >3LXO_1|Chain... at 99%
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PDBbind
124aa, >4G8V_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
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124aa, >4PEQ_1|Chains... at 99%
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124aa, >4RSK_1|Chain... at 96%
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125aa, >4WYP_1|Chains... *
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RCSB PDB
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125aa, >4WYZ_1|Chains... at 100%
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RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3djv
RCSB PDB
PDBbind
C3P
Entry Information
PDB ID
1rpf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bos taurus ribonuclease A
Ligand Name
C3P
EC.Number
E.C.3.1.27.5
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Ki=103uM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Bioorg. Med. Chem., Vol.17, pp.4921-4927
Ligand Properties
Formula
C
9
H
1
5
N
3
O
8
P
Molecular Weight
324.204
Exact Mass
324.060
No. of atoms
36
No. of bonds
37
Polar Surface Area
194.84
LOGP Value
-4.02 (
Computed with XLOGP3
)
-2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1ccc(=N)[nH]c1=O
InChI String
InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14,16-18,21H,3H2,(H2,10,11,15)/t4-,6-,7-,8-/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
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