Browse entries in the PDBbind-CN Database
HEADER 2G8R_COMPLEX COMPND 2G8R_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 NON A 251 46 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 34.707 -20.957 26.889 1.00 24.86 N ATOM 2 CA LYS A 1 35.551 -19.898 26.264 1.00 24.74 C ATOM 3 C LYS A 1 34.694 -18.712 25.801 1.00 24.42 C ATOM 4 O LYS A 1 33.722 -18.878 25.052 1.00 24.15 O ATOM 5 CB LYS A 1 36.397 -20.485 25.117 1.00 24.93 C ATOM 6 CG LYS A 1 37.176 -19.462 24.276 1.00 26.17 C ATOM 7 CD LYS A 1 38.285 -18.759 25.061 1.00 27.25 C ATOM 8 CE LYS A 1 38.836 -17.572 24.273 1.00 28.72 C ATOM 9 NZ LYS A 1 39.712 -16.696 25.111 1.00 29.10 N ATOM 10 HA LYS A 1 36.241 -19.516 27.016 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.116 -21.179 25.552 1.00 0.00 H ATOM 12 HB3 LYS A 1 35.727 -21.028 24.450 1.00 0.00 H ATOM 13 HG2 LYS A 1 37.625 -19.980 23.428 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.478 -18.709 23.911 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.882 -18.403 26.009 1.00 0.00 H ATOM 16 HD3 LYS A 1 39.092 -19.467 25.253 1.00 0.00 H ATOM 17 HE2 LYS A 1 38.001 -16.980 23.900 1.00 0.00 H ATOM 18 HE3 LYS A 1 39.417 -17.948 23.431 1.00 0.00 H ATOM 19 HZ1 LYS A 1 39.164 -16.326 25.913 1.00 0.00 H ATOM 20 HZ2 LYS A 1 40.517 -17.251 25.466 1.00 0.00 H ATOM 21 HZ3 LYS A 1 40.062 -15.905 24.534 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.011 -21.299 26.195 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.211 -20.562 27.713 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.312 -21.747 27.193 1.00 0.00 H ATOM 25 N GLU A 2 35.073 -17.520 26.263 1.00 23.90 N ATOM 26 CA GLU A 2 34.286 -16.303 26.068 1.00 23.10 C ATOM 27 C GLU A 2 34.204 -15.848 24.612 1.00 22.77 C ATOM 28 O GLU A 2 35.222 -15.549 23.976 1.00 22.81 O ATOM 29 CB GLU A 2 34.826 -15.168 26.948 1.00 23.34 C ATOM 30 CG GLU A 2 33.963 -13.914 26.927 1.00 22.81 C ATOM 31 CD GLU A 2 34.443 -12.842 27.887 1.00 23.00 C ATOM 32 OE1 GLU A 2 35.628 -12.454 27.818 1.00 22.33 O ATOM 33 OE2 GLU A 2 33.620 -12.370 28.699 1.00 23.11 O ATOM 34 HA GLU A 2 33.268 -16.553 26.368 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.886 -15.527 27.975 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.824 -14.905 26.597 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.972 -13.504 25.917 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.944 -14.190 27.197 1.00 0.00 H ATOM 39 H GLU A 2 35.969 -17.453 26.786 1.00 0.00 H ATOM 40 N THR A 3 32.978 -15.794 24.099 1.00 21.95 N ATOM 41 CA THR A 3 32.720 -15.275 22.755 1.00 21.41 C ATOM 42 C THR A 3 32.903 -13.758 22.742 1.00 20.76 C ATOM 43 O THR A 3 32.875 -13.113 23.793 1.00 20.02 O ATOM 44 CB THR A 3 31.295 -15.621 22.257 1.00 21.81 C ATOM 45 OG1 THR A 3 30.322 -14.950 23.070 1.00 22.96 O ATOM 46 CG2 THR A 3 31.038 -17.127 22.277 1.00 21.72 C ATOM 47 HA THR A 3 33.434 -15.750 22.082 1.00 0.00 H ATOM 48 HB THR A 3 31.211 -15.283 21.224 1.00 0.00 H ATOM 49 HG1 THR A 3 29.413 -15.174 22.748 1.00 0.00 H ATOM 50 HG23 THR A 3 31.781 -17.629 21.657 1.00 0.00 H ATOM 51 HG21 THR A 3 31.110 -17.493 23.301 1.00 0.00 H ATOM 52 HG22 THR A 3 30.041 -17.329 21.887 1.00 0.00 H ATOM 53 H THR A 3 32.177 -16.131 24.671 1.00 0.00 H ATOM 54 N ALA A 4 33.107 -13.203 21.547 1.00 20.04 N ATOM 55 CA ALA A 4 33.260 -11.762 21.368 1.00 19.65 C ATOM 56 C ALA A 4 31.999 -11.036 21.823 1.00 19.57 C ATOM 57 O ALA A 4 32.076 -9.983 22.470 1.00 20.14 O ATOM 58 CB ALA A 4 33.552 -11.452 19.918 1.00 19.74 C ATOM 59 HA ALA A 4 34.095 -11.416 21.977 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.473 -11.952 19.619 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.728 -11.806 19.299 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.665 -10.375 19.794 1.00 0.00 H ATOM 63 H ALA A 4 33.159 -13.820 20.711 1.00 0.00 H ATOM 64 N ALA A 5 30.842 -11.609 21.489 1.00 19.12 N ATOM 65 CA ALA A 5 29.558 -11.070 21.936 1.00 18.74 C ATOM 66 C ALA A 5 29.466 -11.037 23.466 1.00 18.54 C ATOM 67 O ALA A 5 29.098 -10.007 24.039 1.00 17.85 O ATOM 68 CB ALA A 5 28.396 -11.855 21.332 1.00 18.43 C ATOM 69 HA ALA A 5 29.490 -10.041 21.582 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.443 -11.792 20.245 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.465 -12.898 21.640 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.454 -11.433 21.681 1.00 0.00 H ATOM 73 H ALA A 5 30.853 -12.462 20.895 1.00 0.00 H ATOM 74 N ALA A 6 29.832 -12.149 24.117 1.00 18.03 N ATOM 75 CA ALA A 6 29.864 -12.218 25.582 1.00 17.60 C ATOM 76 C ALA A 6 30.836 -11.191 26.180 1.00 17.59 C ATOM 77 O ALA A 6 30.520 -10.543 27.191 1.00 17.24 O ATOM 78 CB ALA A 6 30.205 -13.642 26.062 1.00 17.77 C ATOM 79 HA ALA A 6 28.865 -11.968 25.939 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.450 -14.338 25.696 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.183 -13.929 25.677 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.222 -13.663 27.152 1.00 0.00 H ATOM 83 H ALA A 6 30.102 -12.989 23.567 1.00 0.00 H ATOM 84 N LYS A 7 32.004 -11.041 25.553 1.00 17.54 N ATOM 85 CA LYS A 7 33.002 -10.066 25.998 1.00 17.79 C ATOM 86 C LYS A 7 32.428 -8.656 25.921 1.00 17.38 C ATOM 87 O LYS A 7 32.558 -7.878 26.876 1.00 17.36 O ATOM 88 CB LYS A 7 34.293 -10.172 25.177 1.00 17.83 C ATOM 89 CG LYS A 7 35.422 -9.259 25.659 1.00 18.99 C ATOM 90 CD LYS A 7 36.663 -9.435 24.797 1.00 19.81 C ATOM 91 CE LYS A 7 37.640 -8.281 24.990 1.00 22.33 C ATOM 92 NZ LYS A 7 38.836 -8.400 24.095 1.00 24.59 N ATOM 93 HA LYS A 7 33.254 -10.288 27.035 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.644 -11.203 25.223 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.063 -9.914 24.143 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.092 -8.222 25.603 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.666 -9.506 26.692 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.156 -10.368 25.071 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.365 -9.477 23.749 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.976 -8.274 26.027 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.127 -7.345 24.769 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.337 -9.287 24.303 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.526 -8.400 23.102 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.473 -7.594 24.260 1.00 0.00 H ATOM 105 H LYS A 7 32.212 -11.634 24.724 1.00 0.00 H ATOM 106 N PHE A 8 31.770 -8.347 24.803 1.00 17.01 N ATOM 107 CA PHE A 8 31.099 -7.059 24.652 1.00 16.69 C ATOM 108 C PHE A 8 30.117 -6.799 25.795 1.00 17.30 C ATOM 109 O PHE A 8 30.125 -5.722 26.388 1.00 17.75 O ATOM 110 CB PHE A 8 30.396 -6.919 23.291 1.00 17.22 C ATOM 111 CG PHE A 8 29.693 -5.603 23.140 1.00 15.58 C ATOM 112 CD1 PHE A 8 30.374 -4.502 22.629 1.00 15.35 C ATOM 113 CD2 PHE A 8 28.372 -5.452 23.554 1.00 15.44 C ATOM 114 CE1 PHE A 8 29.736 -3.272 22.497 1.00 16.37 C ATOM 115 CE2 PHE A 8 27.720 -4.225 23.444 1.00 16.90 C ATOM 116 CZ PHE A 8 28.408 -3.121 22.914 1.00 17.60 C ATOM 117 HA PHE A 8 31.880 -6.300 24.693 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.142 -7.010 22.501 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.664 -7.720 23.192 1.00 0.00 H ATOM 120 HD2 PHE A 8 27.839 -6.307 23.971 1.00 0.00 H ATOM 121 HE2 PHE A 8 26.684 -4.123 23.767 1.00 0.00 H ATOM 122 HZ PHE A 8 27.912 -2.154 22.828 1.00 0.00 H ATOM 123 HE1 PHE A 8 30.271 -2.425 22.068 1.00 0.00 H ATOM 124 HD1 PHE A 8 31.417 -4.604 22.329 1.00 0.00 H ATOM 125 H PHE A 8 31.734 -9.036 24.025 1.00 0.00 H ATOM 126 N GLU A 9 29.261 -7.781 26.082 1.00 17.47 N ATOM 127 CA GLU A 9 28.313 -7.688 27.188 1.00 18.05 C ATOM 128 C GLU A 9 29.012 -7.444 28.526 1.00 17.73 C ATOM 129 O GLU A 9 28.606 -6.569 29.295 1.00 18.30 O ATOM 130 CB GLU A 9 27.425 -8.942 27.246 1.00 17.83 C ATOM 131 CG GLU A 9 26.509 -9.072 26.040 1.00 19.01 C ATOM 132 CD GLU A 9 25.478 -10.189 26.180 1.00 19.25 C ATOM 133 OE1 GLU A 9 25.027 -10.471 27.318 1.00 22.55 O ATOM 134 OE2 GLU A 9 25.108 -10.781 25.146 1.00 20.84 O ATOM 135 HA GLU A 9 27.677 -6.823 27.002 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.067 -9.822 27.292 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.812 -8.893 28.146 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.980 -8.129 25.904 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.121 -9.274 25.161 1.00 0.00 H ATOM 140 H GLU A 9 29.269 -8.642 25.498 1.00 0.00 H ATOM 141 N ARG A 10 30.085 -8.190 28.780 1.00 18.13 N ATOM 142 CA ARG A 10 30.840 -8.032 30.020 1.00 17.70 C ATOM 143 C ARG A 10 31.493 -6.645 30.087 1.00 17.77 C ATOM 144 O ARG A 10 31.469 -5.979 31.118 1.00 17.97 O ATOM 145 CB ARG A 10 31.906 -9.116 30.136 1.00 17.96 C ATOM 146 CG ARG A 10 32.810 -8.949 31.354 1.00 17.89 C ATOM 147 CD ARG A 10 33.739 -10.132 31.515 1.00 19.28 C ATOM 148 NE ARG A 10 34.584 -10.353 30.339 1.00 20.95 N ATOM 149 CZ ARG A 10 35.729 -9.715 30.096 1.00 20.81 C ATOM 150 NH1 ARG A 10 36.178 -8.786 30.934 1.00 20.79 N ATOM 151 NH2 ARG A 10 36.423 -10.004 29.005 1.00 21.48 N ATOM 152 HA ARG A 10 30.145 -8.129 30.854 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.409 -10.084 30.204 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.525 -9.089 29.239 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.405 -8.044 31.234 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.191 -8.859 32.247 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.139 -11.026 31.686 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.381 -9.956 32.378 1.00 0.00 H ATOM 159 HE ARG A 10 34.268 -11.059 29.643 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.073 -8.294 30.735 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.635 -8.551 31.789 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.317 -9.509 28.811 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.074 -10.726 28.343 1.00 0.00 H ATOM 164 H ARG A 10 30.391 -8.898 28.083 1.00 0.00 H ATOM 165 N GLN A 11 32.087 -6.219 28.983 1.00 17.77 N ATOM 166 CA GLN A 11 32.836 -4.964 28.996 1.00 18.24 C ATOM 167 C GLN A 11 31.933 -3.730 28.949 1.00 18.37 C ATOM 168 O GLN A 11 32.306 -2.660 29.442 1.00 18.88 O ATOM 169 CB GLN A 11 33.830 -4.932 27.832 1.00 18.13 C ATOM 170 CG GLN A 11 34.967 -5.942 27.985 1.00 18.44 C ATOM 171 CD GLN A 11 36.131 -5.711 27.026 1.00 19.54 C ATOM 172 OE1 GLN A 11 37.286 -5.982 27.370 1.00 23.90 O ATOM 173 NE2 GLN A 11 35.837 -5.223 25.826 1.00 19.53 N ATOM 174 HA GLN A 11 33.373 -4.927 29.944 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.292 -5.152 26.910 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.260 -3.932 27.770 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.345 -5.882 29.005 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.567 -6.940 27.806 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.850 -5.009 25.579 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.594 -5.055 25.133 1.00 0.00 H ATOM 181 H GLN A 11 32.021 -6.777 28.108 1.00 0.00 H ATOM 182 N HIS A 12 30.756 -3.868 28.342 1.00 18.27 N ATOM 183 CA HIS A 12 30.034 -2.681 27.888 1.00 17.81 C ATOM 184 C HIS A 12 28.564 -2.580 28.245 1.00 18.57 C ATOM 185 O HIS A 12 27.964 -1.534 28.029 1.00 19.19 O ATOM 186 CB HIS A 12 30.225 -2.509 26.379 1.00 17.55 C ATOM 187 CG HIS A 12 31.636 -2.212 25.994 1.00 15.85 C ATOM 188 ND1 HIS A 12 32.319 -1.109 26.462 1.00 16.37 N ATOM 189 CD2 HIS A 12 32.502 -2.885 25.202 1.00 15.33 C ATOM 190 CE1 HIS A 12 33.534 -1.098 25.946 1.00 15.90 C ATOM 191 NE2 HIS A 12 33.676 -2.176 25.194 1.00 15.48 N ATOM 192 HA HIS A 12 30.486 -1.866 28.454 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.917 -3.430 25.884 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.593 -1.687 26.041 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.304 -3.816 24.670 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.291 -0.331 26.112 1.00 0.00 H ATOM 197 H HIS A 12 30.353 -4.815 28.192 1.00 0.00 H ATOM 198 N MET A 13 27.976 -3.654 28.763 1.00 18.41 N ATOM 199 CA MET A 13 26.552 -3.631 29.062 1.00 18.95 C ATOM 200 C MET A 13 26.316 -3.498 30.556 1.00 18.73 C ATOM 201 O MET A 13 26.871 -4.254 31.353 1.00 19.55 O ATOM 202 CB MET A 13 25.844 -4.876 28.532 1.00 18.73 C ATOM 203 CG MET A 13 25.739 -4.957 26.988 1.00 19.26 C ATOM 204 SD MET A 13 24.800 -3.598 26.260 1.00 21.60 S ATOM 205 CE MET A 13 23.207 -3.761 27.070 1.00 19.63 C ATOM 206 HA MET A 13 26.131 -2.761 28.557 1.00 0.00 H ATOM 207 HB2 MET A 13 26.391 -5.752 28.881 1.00 0.00 H ATOM 208 HB3 MET A 13 24.834 -4.892 28.942 1.00 0.00 H ATOM 209 HG2 MET A 13 25.251 -5.895 26.723 1.00 0.00 H ATOM 210 HG3 MET A 13 26.746 -4.943 26.572 1.00 0.00 H ATOM 211 HE1 MET A 13 22.784 -4.740 26.844 1.00 0.00 H ATOM 212 HE2 MET A 13 23.337 -3.660 28.148 1.00 0.00 H ATOM 213 HE3 MET A 13 22.536 -2.982 26.709 1.00 0.00 H ATOM 214 H MET A 13 28.534 -4.511 28.955 1.00 0.00 H ATOM 215 N ASP A 14 25.481 -2.537 30.923 1.00 19.08 N ATOM 216 CA ASP A 14 24.979 -2.448 32.285 1.00 18.79 C ATOM 217 C ASP A 14 23.525 -1.999 32.295 1.00 18.65 C ATOM 218 O ASP A 14 23.220 -0.852 32.627 1.00 17.79 O ATOM 219 CB ASP A 14 25.824 -1.511 33.155 1.00 19.05 C ATOM 220 CG ASP A 14 25.384 -1.543 34.623 1.00 20.32 C ATOM 221 OD1 ASP A 14 24.667 -2.491 34.991 1.00 22.67 O ATOM 222 OD2 ASP A 14 25.730 -0.631 35.399 1.00 21.68 O ATOM 223 HA ASP A 14 25.049 -3.448 32.714 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.868 -1.818 33.093 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.723 -0.493 32.778 1.00 0.00 H ATOM 226 H ASP A 14 25.178 -1.831 30.222 1.00 0.00 H ATOM 227 N SER A 15 22.638 -2.922 31.945 1.00 19.09 N ATOM 228 CA SER A 15 21.203 -2.646 31.870 1.00 20.55 C ATOM 229 C SER A 15 20.548 -2.485 33.253 1.00 21.45 C ATOM 230 O SER A 15 19.364 -2.154 33.348 1.00 21.61 O ATOM 231 CB SER A 15 20.504 -3.763 31.092 1.00 20.19 C ATOM 232 OG SER A 15 21.154 -4.028 29.862 1.00 21.10 O ATOM 233 HA SER A 15 21.088 -1.693 31.353 1.00 0.00 H ATOM 234 HB2 SER A 15 19.475 -3.464 30.891 1.00 0.00 H ATOM 235 HB3 SER A 15 20.506 -4.670 31.696 1.00 0.00 H ATOM 236 HG SER A 15 21.151 -3.209 29.305 1.00 0.00 H ATOM 237 H SER A 15 22.976 -3.878 31.715 1.00 0.00 H ATOM 238 N SER A 16 21.315 -2.701 34.320 1.00 22.89 N ATOM 239 CA SER A 16 20.760 -2.686 35.686 1.00 24.51 C ATOM 240 C SER A 16 20.354 -1.326 36.267 1.00 25.49 C ATOM 241 O SER A 16 19.504 -1.270 37.151 1.00 25.81 O ATOM 242 CB SER A 16 21.692 -3.411 36.659 1.00 24.53 C ATOM 243 OG SER A 16 21.601 -4.806 36.469 1.00 24.97 O ATOM 244 HA SER A 16 19.814 -3.215 35.570 1.00 0.00 H ATOM 245 HB2 SER A 16 21.406 -3.167 37.682 1.00 0.00 H ATOM 246 HB3 SER A 16 22.718 -3.089 36.483 1.00 0.00 H ATOM 247 HG SER A 16 22.208 -5.264 37.103 1.00 0.00 H ATOM 248 H SER A 16 22.330 -2.885 34.187 1.00 0.00 H ATOM 249 N THR A 17 20.953 -0.240 35.781 1.00 26.95 N ATOM 250 CA THR A 17 20.640 1.105 36.289 1.00 28.13 C ATOM 251 C THR A 17 20.229 2.081 35.167 1.00 29.04 C ATOM 252 O THR A 17 20.601 1.887 34.008 1.00 28.94 O ATOM 253 CB THR A 17 21.804 1.675 37.150 1.00 28.39 C ATOM 254 OG1 THR A 17 21.404 2.908 37.765 1.00 29.04 O ATOM 255 CG2 THR A 17 23.073 1.894 36.308 1.00 27.90 C ATOM 256 HA THR A 17 19.771 0.999 36.939 1.00 0.00 H ATOM 257 HB THR A 17 22.037 0.943 37.924 1.00 0.00 H ATOM 258 HG1 THR A 17 22.151 3.261 38.310 1.00 0.00 H ATOM 259 HG23 THR A 17 23.368 0.952 35.846 1.00 0.00 H ATOM 260 HG21 THR A 17 22.870 2.633 35.533 1.00 0.00 H ATOM 261 HG22 THR A 17 23.877 2.252 36.951 1.00 0.00 H ATOM 262 H THR A 17 21.659 -0.345 35.024 1.00 0.00 H ATOM 263 N SER A 18 19.457 3.112 35.522 1.00 30.04 N ATOM 264 CA SER A 18 18.937 4.084 34.546 1.00 31.14 C ATOM 265 C SER A 18 19.974 5.160 34.225 1.00 31.79 C ATOM 266 O SER A 18 20.229 5.467 33.055 1.00 31.76 O ATOM 267 CB SER A 18 17.622 4.707 35.031 1.00 31.07 C ATOM 268 OG SER A 18 16.541 3.797 34.882 1.00 31.47 O ATOM 269 HA SER A 18 18.728 3.544 33.623 1.00 0.00 H ATOM 270 HB2 SER A 18 17.416 5.604 34.447 1.00 0.00 H ATOM 271 HB3 SER A 18 17.721 4.974 36.083 1.00 0.00 H ATOM 272 HG SER A 18 15.706 4.223 35.202 1.00 0.00 H ATOM 273 H SER A 18 19.214 3.233 36.526 1.00 0.00 H ATOM 274 N ALA A 19 20.544 5.749 35.272 1.00 32.78 N ATOM 275 CA ALA A 19 21.811 6.451 35.148 1.00 33.68 C ATOM 276 C ALA A 19 22.846 5.519 35.779 1.00 34.39 C ATOM 277 O ALA A 19 23.581 4.860 35.048 1.00 34.58 O ATOM 278 CB ALA A 19 21.772 7.814 35.814 1.00 33.73 C ATOM 279 HA ALA A 19 22.056 6.667 34.108 1.00 0.00 H ATOM 280 HB1 ALA A 19 20.997 8.423 35.348 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.551 7.693 36.875 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.739 8.302 35.696 1.00 0.00 H ATOM 283 H ALA A 19 20.074 5.707 36.199 1.00 0.00 H ATOM 284 N ALA A 20 22.935 5.436 37.109 1.00 34.85 N ATOM 285 CA ALA A 20 22.462 6.426 38.078 1.00 35.61 C ATOM 286 C ALA A 20 23.737 6.648 38.871 1.00 35.78 C ATOM 287 O ALA A 20 23.751 6.722 40.106 1.00 36.63 O ATOM 288 CB ALA A 20 21.345 5.863 38.949 1.00 35.73 C ATOM 289 HA ALA A 20 22.030 7.328 37.645 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.507 5.569 38.317 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.714 4.994 39.494 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.018 6.625 39.656 1.00 0.00 H ATOM 293 H ALA A 20 23.386 4.582 37.495 1.00 0.00 H ATOM 294 N SER A 21 24.812 6.773 38.096 1.00 35.66 N ATOM 295 CA SER A 21 26.173 6.504 38.518 1.00 35.17 C ATOM 296 C SER A 21 26.673 7.374 39.660 1.00 34.82 C ATOM 297 O SER A 21 26.790 8.600 39.529 1.00 34.99 O ATOM 298 CB SER A 21 27.109 6.616 37.310 1.00 35.24 C ATOM 299 OG SER A 21 26.784 5.652 36.324 1.00 35.24 O ATOM 300 HA SER A 21 26.172 5.490 38.918 1.00 0.00 H ATOM 301 HB2 SER A 21 28.136 6.458 37.639 1.00 0.00 H ATOM 302 HB3 SER A 21 27.017 7.613 36.878 1.00 0.00 H ATOM 303 HG SER A 21 27.402 5.746 35.556 1.00 0.00 H ATOM 304 H SER A 21 24.665 7.087 37.115 1.00 0.00 H ATOM 305 N SER A 22 26.953 6.723 40.786 1.00 33.96 N ATOM 306 CA SER A 22 27.650 7.368 41.887 1.00 33.26 C ATOM 307 C SER A 22 29.022 7.783 41.376 1.00 32.68 C ATOM 308 O SER A 22 29.492 7.246 40.370 1.00 32.75 O ATOM 309 CB SER A 22 27.770 6.422 43.091 1.00 33.26 C ATOM 310 OG SER A 22 28.768 5.425 42.909 1.00 33.59 O ATOM 311 HA SER A 22 27.095 8.241 42.230 1.00 0.00 H ATOM 312 HB2 SER A 22 26.810 5.930 43.245 1.00 0.00 H ATOM 313 HB3 SER A 22 28.021 7.010 43.973 1.00 0.00 H ATOM 314 HG SER A 22 28.803 4.845 43.711 1.00 0.00 H ATOM 315 H SER A 22 26.666 5.728 40.881 1.00 0.00 H ATOM 316 N SER A 23 29.654 8.740 42.050 1.00 31.90 N ATOM 317 CA SER A 23 31.051 9.083 41.776 1.00 30.92 C ATOM 318 C SER A 23 31.961 7.849 41.844 1.00 30.13 C ATOM 319 O SER A 23 33.104 7.883 41.383 1.00 29.95 O ATOM 320 CB SER A 23 31.529 10.135 42.771 1.00 30.94 C ATOM 321 OG SER A 23 30.941 9.868 44.148 1.00 31.74 O ATOM 322 HA SER A 23 31.106 9.482 40.763 1.00 0.00 H ATOM 323 HB2 SER A 23 31.214 11.121 42.431 1.00 0.00 H ATOM 324 HB3 SER A 23 32.617 10.104 42.832 1.00 0.00 H ATOM 325 HG SER A 23 31.228 8.974 44.460 1.00 0.00 H ATOM 326 H SER A 23 29.142 9.259 42.792 1.00 0.00 H ATOM 327 N ASN A 24 31.428 6.760 42.399 1.00 29.07 N ATOM 328 CA ASN A 24 32.182 5.528 42.647 1.00 28.58 C ATOM 329 C ASN A 24 31.915 4.422 41.618 1.00 27.55 C ATOM 330 O ASN A 24 32.592 3.391 41.612 1.00 26.50 O ATOM 331 CB ASN A 24 31.854 5.003 44.049 1.00 29.09 C ATOM 332 CG ASN A 24 33.082 4.485 44.795 1.00 30.84 C ATOM 333 OD1 ASN A 24 34.043 3.988 44.193 1.00 33.23 O ATOM 334 ND2 ASN A 24 33.049 4.597 46.119 1.00 31.29 N ATOM 335 HA ASN A 24 33.237 5.788 42.560 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.411 5.813 44.629 1.00 0.00 H ATOM 337 HB3 ASN A 24 31.135 4.189 43.956 1.00 0.00 H ATOM 338 HD22 ASN A 24 32.221 5.021 46.585 1.00 0.00 H ATOM 339 HD21 ASN A 24 33.851 4.260 46.689 1.00 0.00 H ATOM 340 H ASN A 24 30.424 6.786 42.670 1.00 0.00 H ATOM 341 N TYR A 25 30.931 4.653 40.751 1.00 26.96 N ATOM 342 CA TYR A 25 30.450 3.641 39.811 1.00 26.48 C ATOM 343 C TYR A 25 31.568 2.923 39.043 1.00 26.08 C ATOM 344 O TYR A 25 31.632 1.689 39.032 1.00 26.43 O ATOM 345 CB TYR A 25 29.472 4.280 38.821 1.00 26.66 C ATOM 346 CG TYR A 25 28.975 3.336 37.760 1.00 26.34 C ATOM 347 CD1 TYR A 25 27.875 2.512 37.992 1.00 26.82 C ATOM 348 CD2 TYR A 25 29.613 3.261 36.517 1.00 25.74 C ATOM 349 CE1 TYR A 25 27.418 1.639 37.013 1.00 26.80 C ATOM 350 CE2 TYR A 25 29.173 2.401 35.545 1.00 26.19 C ATOM 351 CZ TYR A 25 28.072 1.597 35.784 1.00 26.25 C ATOM 352 OH TYR A 25 27.655 0.746 34.789 1.00 26.63 O ATOM 353 HA TYR A 25 29.952 2.879 40.410 1.00 0.00 H ATOM 354 HB3 TYR A 25 29.975 5.114 38.331 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.613 4.653 39.379 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.475 3.898 36.318 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.689 2.350 34.586 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.559 0.996 37.204 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.366 2.553 38.955 1.00 0.00 H ATOM 360 HH TYR A 25 26.864 0.239 35.100 1.00 0.00 H ATOM 361 H TYR A 25 30.486 5.593 40.742 1.00 0.00 H ATOM 362 N CYS A 26 32.431 3.704 38.396 1.00 25.59 N ATOM 363 CA CYS A 26 33.497 3.162 37.556 1.00 24.95 C ATOM 364 C CYS A 26 34.533 2.350 38.333 1.00 24.83 C ATOM 365 O CYS A 26 34.899 1.251 37.918 1.00 24.78 O ATOM 366 CB CYS A 26 34.165 4.269 36.749 1.00 24.46 C ATOM 367 SG CYS A 26 33.102 4.925 35.469 1.00 23.83 S ATOM 368 HA CYS A 26 33.019 2.462 36.871 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.065 3.868 36.284 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.438 5.079 37.426 1.00 0.00 H ATOM 371 H CYS A 26 32.343 4.736 38.492 1.00 0.00 H ATOM 372 N ASN A 27 34.986 2.874 39.468 1.00 24.64 N ATOM 373 CA ASN A 27 35.915 2.135 40.313 1.00 24.95 C ATOM 374 C ASN A 27 35.451 0.700 40.564 1.00 25.27 C ATOM 375 O ASN A 27 36.230 -0.244 40.437 1.00 25.27 O ATOM 376 CB ASN A 27 36.128 2.864 41.646 1.00 24.61 C ATOM 377 CG ASN A 27 36.959 4.119 41.499 1.00 25.02 C ATOM 378 OD1 ASN A 27 37.639 4.314 40.493 1.00 25.32 O ATOM 379 ND2 ASN A 27 36.925 4.974 42.519 1.00 25.80 N ATOM 380 HA ASN A 27 36.863 2.083 39.778 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.155 3.136 42.054 1.00 0.00 H ATOM 382 HB3 ASN A 27 36.634 2.189 42.336 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.335 4.768 43.351 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.488 5.848 42.484 1.00 0.00 H ATOM 385 H ASN A 27 34.673 3.823 39.756 1.00 0.00 H ATOM 386 N GLN A 28 34.172 0.552 40.895 1.00 25.49 N ATOM 387 CA GLN A 28 33.596 -0.738 41.265 1.00 26.39 C ATOM 388 C GLN A 28 33.296 -1.599 40.047 1.00 26.08 C ATOM 389 O GLN A 28 33.536 -2.813 40.059 1.00 25.46 O ATOM 390 CB GLN A 28 32.330 -0.531 42.104 1.00 26.33 C ATOM 391 CG GLN A 28 32.537 0.396 43.298 1.00 27.79 C ATOM 392 CD GLN A 28 31.254 0.691 44.055 1.00 28.11 C ATOM 393 OE1 GLN A 28 30.153 0.420 43.568 1.00 32.21 O ATOM 394 NE2 GLN A 28 31.389 1.257 45.247 1.00 29.07 N ATOM 395 HA GLN A 28 34.336 -1.271 41.862 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.558 -0.103 41.464 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.998 -1.501 42.473 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.244 -0.073 43.983 1.00 0.00 H ATOM 399 HG3 GLN A 28 32.952 1.338 42.938 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.337 1.468 45.618 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.546 1.490 45.810 1.00 0.00 H ATOM 402 H GLN A 28 33.556 1.390 40.890 1.00 0.00 H ATOM 403 N MET A 29 32.776 -0.964 38.995 1.00 26.09 N ATOM 404 CA MET A 29 32.408 -1.664 37.763 1.00 26.30 C ATOM 405 C MET A 29 33.599 -2.116 36.932 1.00 26.22 C ATOM 406 O MET A 29 33.573 -3.190 36.343 1.00 25.84 O ATOM 407 CB MET A 29 31.497 -0.798 36.886 1.00 26.57 C ATOM 408 CG MET A 29 30.045 -0.803 37.308 1.00 28.81 C ATOM 409 SD MET A 29 29.245 -2.410 37.103 1.00 33.65 S ATOM 410 CE MET A 29 28.932 -2.418 35.345 1.00 31.82 C ATOM 411 HA MET A 29 31.881 -2.558 38.095 1.00 0.00 H ATOM 412 HB2 MET A 29 31.861 0.229 36.924 1.00 0.00 H ATOM 413 HB3 MET A 29 31.557 -1.166 35.862 1.00 0.00 H ATOM 414 HG2 MET A 29 29.507 -0.070 36.707 1.00 0.00 H ATOM 415 HG3 MET A 29 29.989 -0.520 38.359 1.00 0.00 H ATOM 416 HE1 MET A 29 28.289 -1.577 35.088 1.00 0.00 H ATOM 417 HE2 MET A 29 29.877 -2.332 34.809 1.00 0.00 H ATOM 418 HE3 MET A 29 28.440 -3.351 35.069 1.00 0.00 H ATOM 419 H MET A 29 32.627 0.064 39.052 1.00 0.00 H ATOM 420 N MET A 30 34.625 -1.275 36.839 1.00 25.67 N ATOM 421 CA MET A 30 35.820 -1.655 36.090 1.00 25.82 C ATOM 422 C MET A 30 36.466 -2.897 36.724 1.00 25.93 C ATOM 423 O MET A 30 36.929 -3.790 36.020 1.00 26.29 O ATOM 424 CB MET A 30 36.811 -0.493 36.016 1.00 25.36 C ATOM 425 CG MET A 30 36.299 0.700 35.218 1.00 24.46 C ATOM 426 SD MET A 30 36.005 0.295 33.485 1.00 23.04 S ATOM 427 CE MET A 30 37.688 0.250 32.862 1.00 22.99 C ATOM 428 HA MET A 30 35.529 -1.902 35.069 1.00 0.00 H ATOM 429 HB2 MET A 30 37.028 -0.161 37.031 1.00 0.00 H ATOM 430 HB3 MET A 30 37.728 -0.852 35.549 1.00 0.00 H ATOM 431 HG2 MET A 30 37.038 1.499 35.270 1.00 0.00 H ATOM 432 HG3 MET A 30 35.364 1.042 35.661 1.00 0.00 H ATOM 433 HE1 MET A 30 38.155 1.223 33.011 1.00 0.00 H ATOM 434 HE2 MET A 30 38.253 -0.512 33.400 1.00 0.00 H ATOM 435 HE3 MET A 30 37.674 0.011 31.799 1.00 0.00 H ATOM 436 H MET A 30 34.576 -0.344 37.301 1.00 0.00 H ATOM 437 N LYS A 31 36.467 -2.958 38.051 1.00 26.60 N ATOM 438 CA LYS A 31 37.042 -4.099 38.756 1.00 26.58 C ATOM 439 C LYS A 31 36.198 -5.366 38.565 1.00 26.75 C ATOM 440 O LYS A 31 36.719 -6.416 38.173 1.00 26.71 O ATOM 441 CB LYS A 31 37.228 -3.780 40.247 1.00 26.97 C ATOM 442 CG LYS A 31 38.112 -4.775 40.984 1.00 28.31 C ATOM 443 CD LYS A 31 38.594 -4.226 42.319 1.00 29.92 C ATOM 444 CE LYS A 31 39.632 -5.145 42.943 1.00 31.22 C ATOM 445 NZ LYS A 31 40.044 -4.689 44.296 1.00 32.18 N ATOM 446 HA LYS A 31 38.023 -4.294 38.323 1.00 0.00 H ATOM 447 HB2 LYS A 31 37.678 -2.791 40.333 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.247 -3.774 40.722 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.543 -5.687 41.163 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.978 -5.004 40.363 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.037 -3.243 42.161 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.744 -4.136 42.996 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.511 -5.172 42.298 1.00 0.00 H ATOM 454 HE3 LYS A 31 39.211 -6.147 43.023 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.454 -3.736 44.229 1.00 0.00 H ATOM 456 HZ2 LYS A 31 39.213 -4.667 44.921 1.00 0.00 H ATOM 457 HZ3 LYS A 31 40.752 -5.346 44.681 1.00 0.00 H ATOM 458 H LYS A 31 36.050 -2.178 38.598 1.00 0.00 H ATOM 459 N SER A 32 34.899 -5.257 38.832 1.00 26.40 N ATOM 460 CA SER A 32 34.021 -6.425 38.843 1.00 26.24 C ATOM 461 C SER A 32 33.824 -7.049 37.465 1.00 25.86 C ATOM 462 O SER A 32 33.642 -8.263 37.359 1.00 25.74 O ATOM 463 CB SER A 32 32.672 -6.096 39.483 1.00 26.38 C ATOM 464 OG SER A 32 32.012 -5.070 38.781 1.00 26.82 O ATOM 465 HA SER A 32 34.529 -7.173 39.452 1.00 0.00 H ATOM 466 HB2 SER A 32 32.835 -5.775 40.512 1.00 0.00 H ATOM 467 HB3 SER A 32 32.048 -6.990 39.477 1.00 0.00 H ATOM 468 HG SER A 32 32.573 -4.254 38.787 1.00 0.00 H ATOM 469 H SER A 32 34.499 -4.319 39.038 1.00 0.00 H ATOM 470 N ARG A 33 33.860 -6.218 36.420 1.00 25.59 N ATOM 471 CA ARG A 33 33.801 -6.704 35.039 1.00 25.10 C ATOM 472 C ARG A 33 35.177 -7.138 34.518 1.00 25.65 C ATOM 473 O ARG A 33 35.339 -7.431 33.328 1.00 25.35 O ATOM 474 CB ARG A 33 33.158 -5.661 34.107 1.00 24.78 C ATOM 475 CG ARG A 33 31.726 -5.272 34.482 1.00 23.31 C ATOM 476 CD ARG A 33 30.777 -6.482 34.531 1.00 20.05 C ATOM 477 NE ARG A 33 29.384 -6.074 34.724 1.00 20.80 N ATOM 478 CZ ARG A 33 28.601 -5.597 33.753 1.00 21.44 C ATOM 479 NH1 ARG A 33 29.067 -5.477 32.512 1.00 22.14 N ATOM 480 NH2 ARG A 33 27.346 -5.248 34.015 1.00 21.30 N ATOM 481 HA ARG A 33 33.167 -7.590 35.042 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.772 -4.761 34.128 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.147 -6.068 33.096 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.738 -4.798 35.463 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.351 -4.564 33.743 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.073 -7.129 35.357 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.857 -7.032 33.593 1.00 0.00 H ATOM 488 HE ARG A 33 28.979 -6.161 35.678 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.453 -5.105 31.760 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.045 -5.755 32.295 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.740 -4.877 33.256 1.00 0.00 H ATOM 492 HH21 ARG A 33 26.970 -5.346 34.980 1.00 0.00 H ATOM 493 H ARG A 33 33.932 -5.195 36.592 1.00 0.00 H ATOM 494 N ASN A 34 36.156 -7.183 35.423 1.00 26.43 N ATOM 495 CA ASN A 34 37.500 -7.685 35.133 1.00 27.01 C ATOM 496 C ASN A 34 38.295 -6.864 34.126 1.00 26.97 C ATOM 497 O ASN A 34 39.084 -7.405 33.349 1.00 27.22 O ATOM 498 CB ASN A 34 37.442 -9.160 34.726 1.00 27.35 C ATOM 499 CG ASN A 34 37.084 -10.061 35.887 1.00 28.85 C ATOM 500 OD1 ASN A 34 36.060 -10.745 35.863 1.00 32.98 O ATOM 501 ND2 ASN A 34 37.913 -10.049 36.923 1.00 29.63 N ATOM 502 HA ASN A 34 38.055 -7.581 36.065 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.691 -9.279 33.945 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.417 -9.456 34.340 1.00 0.00 H ATOM 505 HD22 ASN A 34 38.767 -9.455 36.899 1.00 0.00 H ATOM 506 HD21 ASN A 34 37.709 -10.633 37.759 1.00 0.00 H ATOM 507 H ASN A 34 35.954 -6.844 36.385 1.00 0.00 H ATOM 508 N LEU A 35 38.090 -5.551 34.156 1.00 26.78 N ATOM 509 CA LEU A 35 38.787 -4.653 33.247 1.00 26.88 C ATOM 510 C LEU A 35 40.005 -4.019 33.914 1.00 26.89 C ATOM 511 O LEU A 35 40.660 -3.161 33.327 1.00 27.66 O ATOM 512 CB LEU A 35 37.822 -3.593 32.693 1.00 26.54 C ATOM 513 CG LEU A 35 36.510 -4.178 32.152 1.00 25.67 C ATOM 514 CD1 LEU A 35 35.687 -3.108 31.490 1.00 24.59 C ATOM 515 CD2 LEU A 35 36.796 -5.301 31.172 1.00 26.55 C ATOM 516 HA LEU A 35 39.158 -5.239 32.406 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.583 -2.893 33.493 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.322 -3.061 31.884 1.00 0.00 H ATOM 519 HG LEU A 35 35.943 -4.582 32.991 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.383 -4.914 30.339 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.355 -6.089 31.677 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.855 -5.704 30.798 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.454 -2.329 32.216 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.251 -2.678 30.662 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.762 -3.544 31.114 1.00 0.00 H ATOM 526 H LEU A 35 37.417 -5.157 34.844 1.00 0.00 H ATOM 527 N THR A 36 40.313 -4.460 35.134 1.00 27.23 N ATOM 528 CA THR A 36 41.508 -4.003 35.861 1.00 26.93 C ATOM 529 C THR A 36 42.454 -5.166 36.236 1.00 26.89 C ATOM 530 O THR A 36 43.301 -5.034 37.125 1.00 26.69 O ATOM 531 CB THR A 36 41.136 -3.175 37.125 1.00 27.11 C ATOM 532 OG1 THR A 36 40.424 -3.995 38.061 1.00 27.71 O ATOM 533 CG2 THR A 36 40.284 -1.954 36.760 1.00 27.50 C ATOM 534 HA THR A 36 42.047 -3.351 35.173 1.00 0.00 H ATOM 535 HB THR A 36 42.063 -2.824 37.578 1.00 0.00 H ATOM 536 HG1 THR A 36 39.595 -4.333 37.638 1.00 0.00 H ATOM 537 HG23 THR A 36 40.828 -1.333 36.048 1.00 0.00 H ATOM 538 HG21 THR A 36 39.348 -2.287 36.312 1.00 0.00 H ATOM 539 HG22 THR A 36 40.073 -1.377 37.661 1.00 0.00 H ATOM 540 H THR A 36 39.685 -5.153 35.589 1.00 0.00 H ATOM 541 N LYS A 37 42.323 -6.284 35.520 1.00 26.77 N ATOM 542 CA LYS A 37 42.980 -7.553 35.864 1.00 26.86 C ATOM 543 C LYS A 37 44.456 -7.603 35.459 1.00 26.45 C ATOM 544 O LYS A 37 45.321 -7.958 36.272 1.00 26.50 O ATOM 545 CB LYS A 37 42.212 -8.710 35.207 1.00 27.04 C ATOM 546 CG LYS A 37 41.942 -9.908 36.098 1.00 28.37 C ATOM 547 CD LYS A 37 42.880 -11.065 35.791 1.00 29.98 C ATOM 548 CE LYS A 37 42.219 -12.406 36.103 1.00 30.87 C ATOM 549 NZ LYS A 37 43.138 -13.557 35.860 1.00 31.41 N ATOM 550 HA LYS A 37 42.960 -7.644 36.950 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.252 -8.324 34.864 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.791 -9.053 34.350 1.00 0.00 H ATOM 553 HG2 LYS A 37 42.076 -9.611 37.138 1.00 0.00 H ATOM 554 HG3 LYS A 37 40.914 -10.237 35.945 1.00 0.00 H ATOM 555 HD2 LYS A 37 43.147 -11.037 34.735 1.00 0.00 H ATOM 556 HD3 LYS A 37 43.781 -10.963 36.395 1.00 0.00 H ATOM 557 HE2 LYS A 37 41.339 -12.520 35.470 1.00 0.00 H ATOM 558 HE3 LYS A 37 41.916 -12.413 37.150 1.00 0.00 H ATOM 559 HZ1 LYS A 37 43.427 -13.563 34.861 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.979 -13.462 36.465 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.646 -14.445 36.085 1.00 0.00 H ATOM 562 H LYS A 37 41.723 -6.256 34.671 1.00 0.00 H ATOM 563 N ASP A 38 44.733 -7.255 34.203 1.00 26.12 N ATOM 564 CA ASP A 38 46.084 -7.306 33.644 1.00 25.83 C ATOM 565 C ASP A 38 46.724 -5.918 33.577 1.00 25.25 C ATOM 566 O ASP A 38 47.949 -5.784 33.530 1.00 24.94 O ATOM 567 CB ASP A 38 46.058 -7.937 32.250 1.00 26.15 C ATOM 568 CG ASP A 38 45.618 -9.395 32.267 1.00 27.55 C ATOM 569 OD1 ASP A 38 45.876 -10.101 33.268 1.00 29.28 O ATOM 570 OD2 ASP A 38 45.022 -9.842 31.263 1.00 29.07 O ATOM 571 HA ASP A 38 46.690 -7.921 34.309 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.366 -7.372 31.625 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.060 -7.881 31.824 1.00 0.00 H ATOM 574 H ASP A 38 43.955 -6.933 33.593 1.00 0.00 H ATOM 575 N ARG A 39 45.868 -4.900 33.552 1.00 24.62 N ATOM 576 CA ARG A 39 46.257 -3.500 33.590 1.00 24.28 C ATOM 577 C ARG A 39 45.011 -2.696 33.953 1.00 23.24 C ATOM 578 O ARG A 39 43.923 -3.260 34.074 1.00 23.06 O ATOM 579 CB ARG A 39 46.863 -3.048 32.248 1.00 24.26 C ATOM 580 CG ARG A 39 45.878 -2.782 31.106 1.00 25.42 C ATOM 581 CD ARG A 39 46.641 -2.438 29.828 1.00 25.99 C ATOM 582 NE ARG A 39 45.974 -1.423 29.010 1.00 30.56 N ATOM 583 CZ ARG A 39 45.045 -1.672 28.088 1.00 31.77 C ATOM 584 NH1 ARG A 39 44.518 -0.672 27.399 1.00 32.95 N ATOM 585 NH2 ARG A 39 44.638 -2.913 27.850 1.00 33.22 N ATOM 586 HA ARG A 39 47.036 -3.338 34.335 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.417 -2.127 32.429 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.551 -3.826 31.917 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.272 -3.672 30.937 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.229 -1.948 31.375 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.748 -3.346 29.234 1.00 0.00 H ATOM 592 HD3 ARG A 39 47.628 -2.067 30.103 1.00 0.00 H ATOM 593 HE ARG A 39 46.247 -0.431 29.160 1.00 0.00 H ATOM 594 HH12 ARG A 39 43.793 -0.862 26.678 1.00 0.00 H ATOM 595 HH11 ARG A 39 44.829 0.304 27.578 1.00 0.00 H ATOM 596 HH22 ARG A 39 43.912 -3.093 27.127 1.00 0.00 H ATOM 597 HH21 ARG A 39 45.045 -3.706 28.386 1.00 0.00 H ATOM 598 H ARG A 39 44.853 -5.121 33.502 1.00 0.00 H ATOM 599 N CYS A 40 45.159 -1.392 34.146 1.00 22.00 N ATOM 600 CA CYS A 40 43.984 -0.539 34.240 1.00 20.99 C ATOM 601 C CYS A 40 43.552 -0.205 32.816 1.00 20.42 C ATOM 602 O CYS A 40 44.251 0.535 32.118 1.00 20.43 O ATOM 603 CB CYS A 40 44.290 0.745 35.015 1.00 21.00 C ATOM 604 SG CYS A 40 45.021 0.532 36.671 1.00 20.80 S ATOM 605 HA CYS A 40 43.190 -1.056 34.779 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.355 1.294 35.132 1.00 0.00 H ATOM 607 HB3 CYS A 40 44.985 1.336 34.418 1.00 0.00 H ATOM 608 H CYS A 40 46.111 -0.981 34.230 1.00 0.00 H ATOM 609 N LYS A 41 42.432 -0.769 32.360 1.00 19.57 N ATOM 610 CA LYS A 41 41.891 -0.341 31.072 1.00 18.85 C ATOM 611 C LYS A 41 41.665 1.167 31.199 1.00 18.33 C ATOM 612 O LYS A 41 40.959 1.601 32.099 1.00 18.14 O ATOM 613 CB LYS A 41 40.596 -1.072 30.709 1.00 18.82 C ATOM 614 CG LYS A 41 40.160 -0.817 29.272 1.00 18.95 C ATOM 615 CD LYS A 41 38.981 -1.658 28.858 1.00 20.03 C ATOM 616 CE LYS A 41 38.491 -1.219 27.483 1.00 21.53 C ATOM 617 NZ LYS A 41 37.393 -2.076 26.996 1.00 21.66 N ATOM 618 HA LYS A 41 42.583 -0.580 30.264 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.751 -2.143 30.842 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.805 -0.734 31.379 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.890 0.234 29.172 1.00 0.00 H ATOM 622 HG3 LYS A 41 40.996 -1.041 28.610 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.279 -2.706 28.819 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.177 -1.537 29.584 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.321 -1.273 26.778 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.135 -0.191 27.546 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.726 -3.059 26.927 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.595 -2.025 27.660 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.087 -1.746 26.058 1.00 0.00 H ATOM 630 H LYS A 41 41.950 -1.505 32.915 1.00 0.00 H ATOM 631 N PRO A 42 42.303 1.966 30.331 1.00 18.21 N ATOM 632 CA PRO A 42 42.296 3.418 30.536 1.00 17.57 C ATOM 633 C PRO A 42 40.945 4.095 30.301 1.00 16.90 C ATOM 634 O PRO A 42 40.616 5.044 31.013 1.00 16.33 O ATOM 635 CB PRO A 42 43.351 3.930 29.550 1.00 18.13 C ATOM 636 CG PRO A 42 43.502 2.873 28.540 1.00 18.47 C ATOM 637 CD PRO A 42 43.065 1.568 29.134 1.00 18.34 C ATOM 638 HA PRO A 42 42.507 3.655 31.579 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.434 1.015 28.437 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.926 0.957 29.406 1.00 0.00 H ATOM 641 HG3 PRO A 42 44.546 2.805 28.234 1.00 0.00 H ATOM 642 HG2 PRO A 42 42.885 3.105 27.672 1.00 0.00 H ATOM 643 HB2 PRO A 42 43.017 4.856 29.083 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.297 4.104 30.062 1.00 0.00 H ATOM 645 N VAL A 43 40.184 3.620 29.311 1.00 15.76 N ATOM 646 CA VAL A 43 38.848 4.160 29.010 1.00 14.98 C ATOM 647 C VAL A 43 37.897 3.010 28.717 1.00 15.02 C ATOM 648 O VAL A 43 38.259 2.079 27.988 1.00 15.05 O ATOM 649 CB VAL A 43 38.848 5.115 27.777 1.00 15.09 C ATOM 650 CG1 VAL A 43 37.444 5.715 27.533 1.00 14.46 C ATOM 651 CG2 VAL A 43 39.890 6.215 27.923 1.00 15.11 C ATOM 652 HA VAL A 43 38.532 4.732 29.882 1.00 0.00 H ATOM 653 HB VAL A 43 39.116 4.519 26.905 1.00 0.00 H ATOM 654 HG11 VAL A 43 36.733 4.910 27.349 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.135 6.281 28.412 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.478 6.376 26.667 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.674 6.803 28.815 1.00 0.00 H ATOM 658 HG22 VAL A 43 40.880 5.767 28.013 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.860 6.861 27.045 1.00 0.00 H ATOM 660 H VAL A 43 40.550 2.838 28.730 1.00 0.00 H ATOM 661 N ASN A 44 36.685 3.081 29.270 1.00 14.35 N ATOM 662 CA ASN A 44 35.645 2.088 28.977 1.00 14.27 C ATOM 663 C ASN A 44 34.253 2.661 29.184 1.00 14.34 C ATOM 664 O ASN A 44 34.011 3.359 30.167 1.00 15.20 O ATOM 665 CB ASN A 44 35.842 0.847 29.852 1.00 14.13 C ATOM 666 CG ASN A 44 34.953 -0.295 29.451 1.00 15.00 C ATOM 667 OD1 ASN A 44 35.257 -1.033 28.505 1.00 15.36 O ATOM 668 ND2 ASN A 44 33.862 -0.475 30.183 1.00 14.09 N ATOM 669 HA ASN A 44 35.736 1.807 27.928 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.880 0.525 29.772 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.624 1.112 30.887 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.650 0.173 30.968 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.218 -1.264 29.972 1.00 0.00 H ATOM 674 H ASN A 44 36.472 3.860 29.925 1.00 0.00 H ATOM 675 N THR A 45 33.340 2.353 28.270 1.00 13.66 N ATOM 676 CA THR A 45 31.964 2.858 28.339 1.00 13.30 C ATOM 677 C THR A 45 30.986 1.735 28.681 1.00 13.06 C ATOM 678 O THR A 45 31.053 0.658 28.095 1.00 13.76 O ATOM 679 CB THR A 45 31.560 3.523 27.005 1.00 13.17 C ATOM 680 OG1 THR A 45 32.484 4.585 26.713 1.00 14.12 O ATOM 681 CG2 THR A 45 30.112 4.084 27.066 1.00 13.22 C ATOM 682 HA THR A 45 31.922 3.606 29.131 1.00 0.00 H ATOM 683 HB THR A 45 31.591 2.770 26.217 1.00 0.00 H ATOM 684 HG1 THR A 45 33.399 4.214 26.638 1.00 0.00 H ATOM 685 HG23 THR A 45 29.418 3.273 27.288 1.00 0.00 H ATOM 686 HG21 THR A 45 30.050 4.841 27.848 1.00 0.00 H ATOM 687 HG22 THR A 45 29.856 4.530 26.105 1.00 0.00 H ATOM 688 H THR A 45 33.609 1.733 27.479 1.00 0.00 H ATOM 689 N PHE A 46 30.085 2.006 29.627 1.00 12.86 N ATOM 690 CA PHE A 46 28.984 1.113 29.959 1.00 13.44 C ATOM 691 C PHE A 46 27.691 1.722 29.446 1.00 13.72 C ATOM 692 O PHE A 46 27.461 2.920 29.615 1.00 14.14 O ATOM 693 CB PHE A 46 28.905 0.904 31.480 1.00 13.49 C ATOM 694 CG PHE A 46 30.058 0.104 32.038 1.00 13.72 C ATOM 695 CD1 PHE A 46 30.107 -1.282 31.873 1.00 13.49 C ATOM 696 CD2 PHE A 46 31.095 0.737 32.722 1.00 12.83 C ATOM 697 CE1 PHE A 46 31.174 -2.027 32.368 1.00 12.81 C ATOM 698 CE2 PHE A 46 32.161 0.000 33.233 1.00 12.76 C ATOM 699 CZ PHE A 46 32.206 -1.379 33.055 1.00 13.79 C ATOM 700 HA PHE A 46 29.146 0.142 29.491 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.897 1.881 31.963 1.00 0.00 H ATOM 702 HB3 PHE A 46 27.978 0.379 31.709 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.071 1.818 32.858 1.00 0.00 H ATOM 704 HE2 PHE A 46 32.962 0.505 33.774 1.00 0.00 H ATOM 705 HZ PHE A 46 33.044 -1.953 33.450 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.205 -3.107 32.221 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.297 -1.789 31.348 1.00 0.00 H ATOM 708 H PHE A 46 30.173 2.899 30.153 1.00 0.00 H ATOM 709 N VAL A 47 26.857 0.896 28.817 1.00 14.42 N ATOM 710 CA VAL A 47 25.601 1.339 28.228 1.00 14.76 C ATOM 711 C VAL A 47 24.432 0.853 29.065 1.00 15.43 C ATOM 712 O VAL A 47 24.294 -0.343 29.283 1.00 15.89 O ATOM 713 CB VAL A 47 25.438 0.805 26.774 1.00 14.93 C ATOM 714 CG1 VAL A 47 24.143 1.305 26.143 1.00 14.81 C ATOM 715 CG2 VAL A 47 26.644 1.218 25.914 1.00 13.46 C ATOM 716 HA VAL A 47 25.615 2.429 28.203 1.00 0.00 H ATOM 717 HB VAL A 47 25.392 -0.283 26.820 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.295 0.962 26.736 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.151 2.395 26.114 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.060 0.914 25.129 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.715 2.305 25.888 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.555 0.804 26.345 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.514 0.837 24.901 1.00 0.00 H ATOM 724 H VAL A 47 27.114 -0.109 28.743 1.00 0.00 H ATOM 725 N HIS A 48 23.604 1.796 29.521 1.00 16.54 N ATOM 726 CA HIS A 48 22.440 1.508 30.369 1.00 17.39 C ATOM 727 C HIS A 48 21.179 1.481 29.525 1.00 17.72 C ATOM 728 O HIS A 48 20.307 2.349 29.642 1.00 18.12 O ATOM 729 CB HIS A 48 22.300 2.556 31.475 1.00 17.85 C ATOM 730 CG HIS A 48 23.580 2.848 32.190 1.00 18.62 C ATOM 731 ND1 HIS A 48 24.182 1.943 33.035 1.00 20.61 N ATOM 732 CD2 HIS A 48 24.382 3.939 32.172 1.00 19.90 C ATOM 733 CE1 HIS A 48 25.291 2.471 33.523 1.00 21.29 C ATOM 734 NE2 HIS A 48 25.435 3.682 33.015 1.00 20.75 N ATOM 735 HA HIS A 48 22.587 0.533 30.833 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.936 3.481 31.029 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.574 2.194 32.203 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.222 4.850 31.596 1.00 0.00 H ATOM 739 HE1 HIS A 48 25.971 1.989 34.225 1.00 0.00 H ATOM 740 H HIS A 48 23.793 2.785 29.262 1.00 0.00 H ATOM 741 N GLU A 49 21.124 0.501 28.635 1.00 17.74 N ATOM 742 CA GLU A 49 19.950 0.237 27.830 1.00 17.77 C ATOM 743 C GLU A 49 19.794 -1.268 27.810 1.00 17.58 C ATOM 744 O GLU A 49 20.708 -1.988 28.217 1.00 17.81 O ATOM 745 CB GLU A 49 20.135 0.776 26.401 1.00 17.98 C ATOM 746 CG GLU A 49 20.379 2.283 26.301 1.00 18.99 C ATOM 747 CD GLU A 49 19.219 3.143 26.792 1.00 21.15 C ATOM 748 OE1 GLU A 49 18.095 2.626 26.982 1.00 22.64 O ATOM 749 OE2 GLU A 49 19.443 4.356 26.994 1.00 20.53 O ATOM 750 HA GLU A 49 19.068 0.729 28.241 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.989 0.265 25.955 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.235 0.541 25.832 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.260 2.526 26.896 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.568 2.529 25.256 1.00 0.00 H ATOM 755 H GLU A 49 21.960 -0.105 28.509 1.00 0.00 H ATOM 756 N SER A 50 18.641 -1.744 27.350 1.00 17.36 N ATOM 757 CA SER A 50 18.380 -3.171 27.259 1.00 17.21 C ATOM 758 C SER A 50 19.326 -3.802 26.247 1.00 17.33 C ATOM 759 O SER A 50 19.763 -3.150 25.292 1.00 16.74 O ATOM 760 CB SER A 50 16.926 -3.430 26.856 1.00 17.33 C ATOM 761 OG SER A 50 16.714 -3.138 25.481 1.00 16.32 O ATOM 762 HA SER A 50 18.548 -3.621 28.237 1.00 0.00 H ATOM 763 HB2 SER A 50 16.272 -2.800 27.459 1.00 0.00 H ATOM 764 HB3 SER A 50 16.687 -4.478 27.038 1.00 0.00 H ATOM 765 HG SER A 50 17.302 -3.711 24.929 1.00 0.00 H ATOM 766 H SER A 50 17.904 -1.076 27.046 1.00 0.00 H ATOM 767 N LEU A 51 19.662 -5.069 26.466 1.00 17.71 N ATOM 768 CA LEU A 51 20.470 -5.800 25.497 1.00 17.80 C ATOM 769 C LEU A 51 19.826 -5.778 24.106 1.00 17.59 C ATOM 770 O LEU A 51 20.510 -5.555 23.115 1.00 17.15 O ATOM 771 CB LEU A 51 20.705 -7.242 25.956 1.00 18.15 C ATOM 772 CG LEU A 51 21.606 -8.096 25.054 1.00 18.51 C ATOM 773 CD1 LEU A 51 23.013 -7.493 24.883 1.00 18.87 C ATOM 774 CD2 LEU A 51 21.682 -9.511 25.588 1.00 18.46 C ATOM 775 HA LEU A 51 21.436 -5.299 25.430 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.160 -7.207 26.946 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.735 -7.734 26.021 1.00 0.00 H ATOM 778 HG LEU A 51 21.156 -8.112 24.062 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.095 -9.496 26.597 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.682 -9.944 25.610 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.324 -10.108 24.940 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.931 -6.503 24.435 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.493 -7.413 25.858 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.607 -8.138 24.236 1.00 0.00 H ATOM 785 H LEU A 51 19.346 -5.543 27.336 1.00 0.00 H ATOM 786 N ALA A 52 18.517 -6.015 24.037 1.00 17.61 N ATOM 787 CA ALA A 52 17.798 -5.938 22.766 1.00 17.39 C ATOM 788 C ALA A 52 18.027 -4.600 22.063 1.00 17.08 C ATOM 789 O ALA A 52 18.294 -4.572 20.860 1.00 17.13 O ATOM 790 CB ALA A 52 16.307 -6.198 22.968 1.00 17.65 C ATOM 791 HA ALA A 52 18.199 -6.718 22.118 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.167 -7.193 23.391 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.898 -5.451 23.649 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.795 -6.135 22.008 1.00 0.00 H ATOM 795 H ALA A 52 17.996 -6.259 24.904 1.00 0.00 H ATOM 796 N ASP A 53 17.944 -3.502 22.815 1.00 16.57 N ATOM 797 CA ASP A 53 18.136 -2.156 22.260 1.00 16.76 C ATOM 798 C ASP A 53 19.538 -1.939 21.693 1.00 16.67 C ATOM 799 O ASP A 53 19.698 -1.336 20.624 1.00 16.76 O ATOM 800 CB ASP A 53 17.817 -1.074 23.301 1.00 16.71 C ATOM 801 CG ASP A 53 16.330 -0.754 23.382 1.00 17.63 C ATOM 802 OD1 ASP A 53 15.529 -1.395 22.671 1.00 20.32 O ATOM 803 OD2 ASP A 53 15.958 0.150 24.156 1.00 20.54 O ATOM 804 HA ASP A 53 17.434 -2.072 21.430 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.153 -1.421 24.278 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.355 -0.164 23.035 1.00 0.00 H ATOM 807 H ASP A 53 17.736 -3.602 23.829 1.00 0.00 H ATOM 808 N VAL A 54 20.547 -2.418 22.411 1.00 16.04 N ATOM 809 CA VAL A 54 21.935 -2.274 21.959 1.00 15.60 C ATOM 810 C VAL A 54 22.218 -3.210 20.769 1.00 15.22 C ATOM 811 O VAL A 54 22.844 -2.815 19.779 1.00 14.71 O ATOM 812 CB VAL A 54 22.910 -2.454 23.141 1.00 15.72 C ATOM 813 CG1 VAL A 54 24.377 -2.397 22.679 1.00 15.01 C ATOM 814 CG2 VAL A 54 22.639 -1.371 24.177 1.00 16.73 C ATOM 815 HA VAL A 54 22.096 -1.262 21.588 1.00 0.00 H ATOM 816 HB VAL A 54 22.747 -3.438 23.580 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.560 -3.193 21.957 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.573 -1.431 22.215 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.033 -2.528 23.540 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.787 -0.391 23.724 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.612 -1.457 24.531 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.325 -1.492 25.015 1.00 0.00 H ATOM 823 H VAL A 54 20.350 -2.904 23.309 1.00 0.00 H ATOM 824 N GLN A 55 21.732 -4.446 20.849 1.00 14.70 N ATOM 825 CA GLN A 55 21.841 -5.366 19.709 1.00 14.48 C ATOM 826 C GLN A 55 21.199 -4.800 18.438 1.00 14.02 C ATOM 827 O GLN A 55 21.725 -4.997 17.336 1.00 13.95 O ATOM 828 CB GLN A 55 21.242 -6.734 20.055 1.00 14.52 C ATOM 829 CG GLN A 55 22.101 -7.517 21.056 1.00 14.42 C ATOM 830 CD GLN A 55 21.498 -8.849 21.464 1.00 15.07 C ATOM 831 OE1 GLN A 55 22.220 -9.761 21.872 1.00 16.54 O ATOM 832 NE2 GLN A 55 20.173 -8.967 21.376 1.00 14.78 N ATOM 833 HA GLN A 55 22.904 -5.490 19.502 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.252 -6.583 20.486 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.153 -7.318 19.139 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.075 -7.704 20.603 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.229 -6.908 21.951 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.602 -8.171 21.026 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.710 -9.855 21.657 1.00 0.00 H ATOM 840 H GLN A 55 21.271 -4.763 21.726 1.00 0.00 H ATOM 841 N ALA A 56 20.083 -4.090 18.608 1.00 13.49 N ATOM 842 CA ALA A 56 19.356 -3.464 17.499 1.00 13.71 C ATOM 843 C ALA A 56 20.215 -2.448 16.722 1.00 13.41 C ATOM 844 O ALA A 56 19.958 -2.170 15.540 1.00 13.61 O ATOM 845 CB ALA A 56 18.084 -2.797 18.014 1.00 14.00 C ATOM 846 HA ALA A 56 19.095 -4.258 16.800 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.446 -3.547 18.482 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.347 -2.033 18.746 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.554 -2.336 17.181 1.00 0.00 H ATOM 850 H ALA A 56 19.711 -3.975 19.572 1.00 0.00 H ATOM 851 N VAL A 57 21.224 -1.895 17.394 1.00 13.53 N ATOM 852 CA VAL A 57 22.106 -0.900 16.785 1.00 13.56 C ATOM 853 C VAL A 57 22.835 -1.495 15.567 1.00 13.16 C ATOM 854 O VAL A 57 23.160 -0.763 14.620 1.00 13.07 O ATOM 855 CB VAL A 57 23.096 -0.286 17.802 1.00 13.53 C ATOM 856 CG1 VAL A 57 24.066 0.697 17.110 1.00 12.74 C ATOM 857 CG2 VAL A 57 22.327 0.433 18.911 1.00 14.11 C ATOM 858 HA VAL A 57 21.479 -0.078 16.438 1.00 0.00 H ATOM 859 HB VAL A 57 23.683 -1.095 18.236 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.634 0.167 16.346 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.496 1.503 16.647 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.750 1.112 17.850 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.721 1.227 18.475 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.681 -0.279 19.424 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.033 0.862 19.622 1.00 0.00 H ATOM 866 H VAL A 57 21.389 -2.179 18.381 1.00 0.00 H ATOM 867 N CYS A 58 23.041 -2.819 15.564 1.00 13.00 N ATOM 868 CA CYS A 58 23.669 -3.489 14.403 1.00 13.26 C ATOM 869 C CYS A 58 22.889 -3.379 13.092 1.00 13.64 C ATOM 870 O CYS A 58 23.433 -3.711 12.023 1.00 13.90 O ATOM 871 CB CYS A 58 23.967 -4.969 14.693 1.00 13.02 C ATOM 872 SG CYS A 58 25.146 -5.226 16.024 1.00 14.09 S ATOM 873 HA CYS A 58 24.599 -2.939 14.258 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.368 -5.423 13.787 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.032 -5.461 14.962 1.00 0.00 H ATOM 876 H CYS A 58 22.756 -3.384 16.389 1.00 0.00 H ATOM 877 N SER A 59 21.632 -2.929 13.166 1.00 14.12 N ATOM 878 CA SER A 59 20.802 -2.709 11.976 1.00 14.74 C ATOM 879 C SER A 59 20.482 -1.229 11.783 1.00 13.93 C ATOM 880 O SER A 59 19.625 -0.863 10.964 1.00 14.36 O ATOM 881 CB SER A 59 19.489 -3.502 12.061 1.00 15.60 C ATOM 882 OG SER A 59 18.658 -3.003 13.122 1.00 19.23 O ATOM 883 HA SER A 59 21.379 -3.060 11.120 1.00 0.00 H ATOM 884 HB2 SER A 59 19.717 -4.551 12.249 1.00 0.00 H ATOM 885 HB3 SER A 59 18.955 -3.411 11.115 1.00 0.00 H ATOM 886 HG SER A 59 19.138 -3.088 13.983 1.00 0.00 H ATOM 887 H SER A 59 21.227 -2.727 14.103 1.00 0.00 H ATOM 888 N GLN A 60 21.175 -0.380 12.526 1.00 12.90 N ATOM 889 CA GLN A 60 20.906 1.050 12.499 1.00 12.87 C ATOM 890 C GLN A 60 21.855 1.795 11.547 1.00 12.69 C ATOM 891 O GLN A 60 22.087 1.297 10.457 1.00 12.85 O ATOM 892 CB GLN A 60 20.817 1.590 13.926 1.00 12.80 C ATOM 893 CG GLN A 60 19.590 0.972 14.612 1.00 13.53 C ATOM 894 CD GLN A 60 19.340 1.436 16.042 1.00 13.02 C ATOM 895 OE1 GLN A 60 19.895 2.430 16.497 1.00 14.63 O ATOM 896 NE2 GLN A 60 18.479 0.704 16.756 1.00 14.08 N ATOM 897 HA GLN A 60 19.926 1.240 12.061 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.719 1.322 14.477 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.716 2.675 13.902 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.711 1.222 14.018 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.722 -0.110 14.627 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.030 -0.132 16.331 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.258 0.971 17.737 1.00 0.00 H ATOM 904 H GLN A 60 21.929 -0.743 13.143 1.00 0.00 H ATOM 905 N LYS A 61 22.354 2.981 11.905 1.00 12.98 N ATOM 906 CA LYS A 61 23.056 3.806 10.903 1.00 13.65 C ATOM 907 C LYS A 61 24.465 3.277 10.617 1.00 13.28 C ATOM 908 O LYS A 61 25.335 3.384 11.457 1.00 14.65 O ATOM 909 CB LYS A 61 23.124 5.275 11.350 1.00 13.18 C ATOM 910 CG LYS A 61 23.771 6.217 10.338 1.00 14.01 C ATOM 911 CD LYS A 61 23.993 7.609 10.942 1.00 16.01 C ATOM 912 CE LYS A 61 24.758 8.509 9.979 1.00 20.18 C ATOM 913 NZ LYS A 61 24.994 9.909 10.491 1.00 23.45 N ATOM 914 HA LYS A 61 22.480 3.745 9.979 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.107 5.622 11.536 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.698 5.323 12.275 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.732 5.804 10.031 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.121 6.306 9.468 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.026 8.061 11.160 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.563 7.510 11.866 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.191 8.576 9.051 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.727 8.051 9.779 1.00 0.00 H ATOM 923 HZ1 LYS A 61 24.079 10.368 10.676 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.546 9.866 11.372 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.519 10.454 9.778 1.00 0.00 H ATOM 926 H LYS A 61 22.249 3.320 12.882 1.00 0.00 H ATOM 927 N ASN A 62 24.678 2.734 9.418 1.00 13.30 N ATOM 928 CA ASN A 62 26.001 2.224 9.043 1.00 13.02 C ATOM 929 C ASN A 62 27.005 3.389 8.887 1.00 12.74 C ATOM 930 O ASN A 62 26.762 4.354 8.132 1.00 12.51 O ATOM 931 CB ASN A 62 25.906 1.374 7.767 1.00 13.89 C ATOM 932 CG ASN A 62 27.217 0.666 7.410 1.00 15.11 C ATOM 933 OD1 ASN A 62 27.587 0.595 6.227 1.00 19.07 O ATOM 934 ND2 ASN A 62 27.909 0.129 8.405 1.00 14.63 N ATOM 935 HA ASN A 62 26.371 1.578 9.839 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.133 0.619 7.911 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.627 2.024 6.938 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.564 0.211 9.382 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.797 -0.375 8.208 1.00 0.00 H ATOM 940 H ASN A 62 23.894 2.671 8.738 1.00 0.00 H ATOM 941 N VAL A 63 28.108 3.293 9.624 1.00 11.76 N ATOM 942 CA VAL A 63 29.159 4.316 9.607 1.00 11.37 C ATOM 943 C VAL A 63 30.551 3.682 9.565 1.00 12.24 C ATOM 944 O VAL A 63 30.725 2.534 9.949 1.00 12.62 O ATOM 945 CB VAL A 63 29.067 5.282 10.824 1.00 11.30 C ATOM 946 CG1 VAL A 63 27.701 6.020 10.863 1.00 9.66 C ATOM 947 CG2 VAL A 63 29.351 4.572 12.147 1.00 10.57 C ATOM 948 HA VAL A 63 29.000 4.898 8.699 1.00 0.00 H ATOM 949 HB VAL A 63 29.847 6.032 10.690 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.578 6.602 9.950 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.896 5.289 10.941 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.673 6.685 11.726 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.624 3.773 12.292 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.356 4.151 12.123 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.275 5.288 12.966 1.00 0.00 H ATOM 956 H VAL A 63 28.230 2.461 10.236 1.00 0.00 H ATOM 957 N ALA A 64 31.533 4.443 9.092 1.00 12.37 N ATOM 958 CA ALA A 64 32.902 3.943 9.038 1.00 12.57 C ATOM 959 C ALA A 64 33.425 3.701 10.446 1.00 12.82 C ATOM 960 O ALA A 64 33.201 4.514 11.353 1.00 12.79 O ATOM 961 CB ALA A 64 33.804 4.941 8.275 1.00 12.90 C ATOM 962 HA ALA A 64 32.915 2.994 8.501 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.428 5.065 7.259 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.794 5.903 8.788 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.823 4.556 8.242 1.00 0.00 H ATOM 966 H ALA A 64 31.323 5.405 8.757 1.00 0.00 H ATOM 967 N CYS A 65 34.100 2.571 10.634 1.00 12.46 N ATOM 968 CA CYS A 65 34.788 2.290 11.894 1.00 12.35 C ATOM 969 C CYS A 65 36.066 3.096 11.957 1.00 11.40 C ATOM 970 O CYS A 65 36.667 3.388 10.932 1.00 11.33 O ATOM 971 CB CYS A 65 35.174 0.827 11.979 1.00 11.85 C ATOM 972 SG CYS A 65 33.749 -0.246 11.877 1.00 14.12 S ATOM 973 HA CYS A 65 34.114 2.547 12.711 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.681 0.651 12.928 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.851 0.593 11.158 1.00 0.00 H ATOM 976 H CYS A 65 34.140 1.870 9.867 1.00 0.00 H ATOM 977 N LYS A 66 36.511 3.384 13.171 1.00 11.61 N ATOM 978 CA LYS A 66 37.787 4.062 13.376 1.00 12.02 C ATOM 979 C LYS A 66 38.965 3.334 12.734 1.00 12.53 C ATOM 980 O LYS A 66 39.906 3.975 12.300 1.00 12.76 O ATOM 981 CB LYS A 66 38.039 4.268 14.868 1.00 12.46 C ATOM 982 CG LYS A 66 37.250 5.443 15.424 1.00 12.38 C ATOM 983 CD LYS A 66 37.349 5.503 16.935 1.00 13.33 C ATOM 984 CE LYS A 66 36.474 6.621 17.464 1.00 14.35 C ATOM 985 NZ LYS A 66 36.607 6.750 18.944 1.00 12.93 N ATOM 986 HA LYS A 66 37.712 5.028 12.878 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.747 3.364 15.402 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.102 4.453 15.023 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.646 6.368 15.004 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.203 5.335 15.140 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.019 4.554 17.357 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.384 5.686 17.223 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.434 6.408 17.217 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.772 7.559 16.996 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.319 5.859 19.396 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.597 6.958 19.185 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.997 7.523 19.280 1.00 0.00 H ATOM 998 H LYS A 66 35.937 3.121 13.998 1.00 0.00 H ATOM 999 N ASN A 67 38.888 2.005 12.649 1.00 13.00 N ATOM 1000 CA ASN A 67 39.967 1.217 12.045 1.00 13.81 C ATOM 1001 C ASN A 67 39.895 1.109 10.523 1.00 13.85 C ATOM 1002 O ASN A 67 40.715 0.409 9.909 1.00 14.35 O ATOM 1003 CB ASN A 67 40.067 -0.179 12.679 1.00 13.65 C ATOM 1004 CG ASN A 67 38.917 -1.099 12.303 1.00 13.12 C ATOM 1005 OD1 ASN A 67 37.991 -0.712 11.613 1.00 13.13 O ATOM 1006 ND2 ASN A 67 38.983 -2.343 12.776 1.00 15.13 N ATOM 1007 HA ASN A 67 40.877 1.777 12.263 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.999 -0.640 12.353 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.079 -0.066 13.763 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.791 -2.634 13.362 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.226 -3.023 12.559 1.00 0.00 H ATOM 1012 H ASN A 67 38.046 1.518 13.018 1.00 0.00 H ATOM 1013 N GLY A 68 38.919 1.789 9.927 1.00 13.05 N ATOM 1014 CA GLY A 68 38.760 1.787 8.483 1.00 13.59 C ATOM 1015 C GLY A 68 37.817 0.728 7.943 1.00 13.32 C ATOM 1016 O GLY A 68 37.520 0.709 6.745 1.00 13.08 O ATOM 1017 HA3 GLY A 68 39.741 1.627 8.035 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.380 2.763 8.183 1.00 0.00 H ATOM 1019 H GLY A 68 38.253 2.336 10.510 1.00 0.00 H ATOM 1020 N GLN A 69 37.358 -0.170 8.808 1.00 13.70 N ATOM 1021 CA GLN A 69 36.382 -1.162 8.389 1.00 14.06 C ATOM 1022 C GLN A 69 34.997 -0.525 8.235 1.00 14.27 C ATOM 1023 O GLN A 69 34.780 0.622 8.650 1.00 14.84 O ATOM 1024 CB GLN A 69 36.375 -2.344 9.360 1.00 15.02 C ATOM 1025 CG GLN A 69 37.709 -3.096 9.346 1.00 17.06 C ATOM 1026 CD GLN A 69 37.991 -3.770 8.018 1.00 21.11 C ATOM 1027 OE1 GLN A 69 38.758 -3.257 7.183 1.00 22.89 O ATOM 1028 NE2 GLN A 69 37.380 -4.934 7.811 1.00 20.32 N ATOM 1029 HA GLN A 69 36.664 -1.550 7.410 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.189 -1.973 10.368 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.579 -3.031 9.075 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.511 -2.387 9.554 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.688 -3.858 10.126 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.747 -5.325 8.537 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.536 -5.452 6.923 1.00 0.00 H ATOM 1036 H GLN A 69 37.699 -0.163 9.790 1.00 0.00 H ATOM 1037 N THR A 70 34.075 -1.262 7.628 1.00 13.95 N ATOM 1038 CA THR A 70 32.756 -0.720 7.314 1.00 14.13 C ATOM 1039 C THR A 70 31.647 -1.247 8.225 1.00 13.71 C ATOM 1040 O THR A 70 30.472 -0.906 8.044 1.00 14.55 O ATOM 1041 CB THR A 70 32.384 -0.996 5.834 1.00 14.45 C ATOM 1042 OG1 THR A 70 32.243 -2.406 5.631 1.00 15.48 O ATOM 1043 CG2 THR A 70 33.472 -0.481 4.904 1.00 15.99 C ATOM 1044 HA THR A 70 32.830 0.354 7.486 1.00 0.00 H ATOM 1045 HB THR A 70 31.447 -0.484 5.614 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.528 -2.753 6.221 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.592 0.593 5.047 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.411 -0.986 5.131 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.190 -0.682 3.871 1.00 0.00 H ATOM 1050 H THR A 70 34.296 -2.245 7.371 1.00 0.00 H ATOM 1051 N ASN A 71 32.002 -2.091 9.193 1.00 11.81 N ATOM 1052 CA ASN A 71 30.990 -2.807 9.980 1.00 11.03 C ATOM 1053 C ASN A 71 30.612 -2.116 11.285 1.00 11.28 C ATOM 1054 O ASN A 71 30.332 -2.786 12.273 1.00 11.12 O ATOM 1055 CB ASN A 71 31.420 -4.262 10.254 1.00 11.42 C ATOM 1056 CG ASN A 71 32.672 -4.355 11.109 1.00 11.28 C ATOM 1057 OD1 ASN A 71 33.663 -3.703 10.832 1.00 12.93 O ATOM 1058 ND2 ASN A 71 32.642 -5.224 12.127 1.00 12.26 N ATOM 1059 HA ASN A 71 30.093 -2.804 9.360 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.607 -4.774 10.769 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.612 -4.754 9.301 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.774 -5.760 12.328 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.487 -5.363 12.717 1.00 0.00 H ATOM 1064 H ASN A 71 33.011 -2.245 9.394 1.00 0.00 H ATOM 1065 N CYS A 72 30.595 -0.780 11.270 1.00 11.21 N ATOM 1066 CA CYS A 72 30.165 -0.015 12.446 1.00 11.19 C ATOM 1067 C CYS A 72 28.813 0.627 12.239 1.00 11.29 C ATOM 1068 O CYS A 72 28.402 0.886 11.101 1.00 11.25 O ATOM 1069 CB CYS A 72 31.208 1.018 12.865 1.00 11.96 C ATOM 1070 SG CYS A 72 32.689 0.239 13.548 1.00 14.56 S ATOM 1071 HA CYS A 72 30.065 -0.729 13.263 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.773 1.672 13.620 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.490 1.609 11.993 1.00 0.00 H ATOM 1074 H CYS A 72 30.891 -0.274 10.411 1.00 0.00 H ATOM 1075 N TYR A 73 28.117 0.841 13.357 1.00 11.15 N ATOM 1076 CA TYR A 73 26.737 1.308 13.359 1.00 11.21 C ATOM 1077 C TYR A 73 26.554 2.263 14.511 1.00 11.16 C ATOM 1078 O TYR A 73 27.006 1.988 15.634 1.00 11.00 O ATOM 1079 CB TYR A 73 25.759 0.133 13.484 1.00 11.30 C ATOM 1080 CG TYR A 73 25.967 -0.858 12.377 1.00 12.23 C ATOM 1081 CD1 TYR A 73 26.920 -1.863 12.512 1.00 12.04 C ATOM 1082 CD2 TYR A 73 25.293 -0.737 11.161 1.00 13.93 C ATOM 1083 CE1 TYR A 73 27.166 -2.749 11.496 1.00 14.05 C ATOM 1084 CE2 TYR A 73 25.538 -1.622 10.132 1.00 14.32 C ATOM 1085 CZ TYR A 73 26.487 -2.621 10.307 1.00 13.97 C ATOM 1086 OH TYR A 73 26.764 -3.528 9.309 1.00 13.65 O ATOM 1087 HA TYR A 73 26.527 1.814 12.417 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.738 0.512 13.437 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.917 -0.363 14.442 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.567 0.064 11.023 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.993 -1.538 9.192 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.894 -3.549 11.629 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.481 -1.947 13.443 1.00 0.00 H ATOM 1094 HH TYR A 73 27.463 -4.156 9.620 1.00 0.00 H ATOM 1095 H TYR A 73 28.582 0.666 14.271 1.00 0.00 H ATOM 1096 N GLN A 74 25.911 3.385 14.197 1.00 11.39 N ATOM 1097 CA GLN A 74 25.587 4.405 15.167 1.00 12.17 C ATOM 1098 C GLN A 74 24.113 4.328 15.526 1.00 12.02 C ATOM 1099 O GLN A 74 23.256 4.199 14.646 1.00 12.40 O ATOM 1100 CB GLN A 74 25.933 5.770 14.592 1.00 12.22 C ATOM 1101 CG GLN A 74 25.681 6.927 15.518 1.00 14.28 C ATOM 1102 CD GLN A 74 26.210 8.217 14.933 1.00 16.96 C ATOM 1103 OE1 GLN A 74 27.383 8.306 14.603 1.00 20.59 O ATOM 1104 NE2 GLN A 74 25.351 9.210 14.788 1.00 18.04 N ATOM 1105 HA GLN A 74 26.167 4.248 16.076 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.991 5.769 14.330 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.337 5.920 13.692 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.608 7.024 15.683 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.178 6.737 16.469 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.361 9.089 15.083 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.664 10.113 14.378 1.00 0.00 H ATOM 1112 H GLN A 74 25.629 3.534 13.207 1.00 0.00 H ATOM 1113 N SER A 75 23.827 4.390 16.823 1.00 12.55 N ATOM 1114 CA SER A 75 22.437 4.340 17.296 1.00 12.92 C ATOM 1115 C SER A 75 21.647 5.536 16.766 1.00 13.49 C ATOM 1116 O SER A 75 22.151 6.653 16.749 1.00 13.65 O ATOM 1117 CB SER A 75 22.382 4.290 18.832 1.00 12.88 C ATOM 1118 OG SER A 75 22.927 5.459 19.433 1.00 11.85 O ATOM 1119 HA SER A 75 21.979 3.428 16.912 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.948 3.424 19.175 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.342 4.189 19.142 1.00 0.00 H ATOM 1122 HG SER A 75 22.415 6.252 19.134 1.00 0.00 H ATOM 1123 H SER A 75 24.600 4.475 17.514 1.00 0.00 H ATOM 1124 N TYR A 76 20.414 5.302 16.322 1.00 14.52 N ATOM 1125 CA TYR A 76 19.573 6.418 15.875 1.00 15.69 C ATOM 1126 C TYR A 76 19.214 7.350 17.025 1.00 17.49 C ATOM 1127 O TYR A 76 19.074 8.555 16.835 1.00 16.95 O ATOM 1128 CB TYR A 76 18.302 5.918 15.186 1.00 15.39 C ATOM 1129 CG TYR A 76 18.580 5.315 13.842 1.00 14.22 C ATOM 1130 CD1 TYR A 76 19.276 6.037 12.865 1.00 11.93 C ATOM 1131 CD2 TYR A 76 18.142 4.027 13.532 1.00 13.84 C ATOM 1132 CE1 TYR A 76 19.527 5.491 11.615 1.00 12.33 C ATOM 1133 CE2 TYR A 76 18.393 3.474 12.287 1.00 13.06 C ATOM 1134 CZ TYR A 76 19.087 4.210 11.338 1.00 13.26 C ATOM 1135 OH TYR A 76 19.352 3.652 10.112 1.00 16.09 O ATOM 1136 HA TYR A 76 20.159 6.983 15.151 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.619 6.758 15.059 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.834 5.164 15.819 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.596 3.449 14.278 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.047 2.467 12.055 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.065 6.065 10.860 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.626 7.044 13.090 1.00 0.00 H ATOM 1143 HH TYR A 76 19.850 4.302 9.556 1.00 0.00 H ATOM 1144 H TYR A 76 20.047 4.329 16.292 1.00 0.00 H ATOM 1145 N SER A 77 19.077 6.780 18.215 1.00 20.40 N ATOM 1146 CA SER A 77 18.701 7.544 19.394 1.00 22.68 C ATOM 1147 C SER A 77 19.885 7.634 20.355 1.00 23.66 C ATOM 1148 O SER A 77 20.811 6.811 20.305 1.00 23.22 O ATOM 1149 CB SER A 77 17.471 6.921 20.072 1.00 23.37 C ATOM 1150 OG SER A 77 16.344 6.917 19.201 1.00 25.54 O ATOM 1151 HA SER A 77 18.430 8.556 19.093 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.228 7.497 20.965 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.704 5.895 20.356 1.00 0.00 H ATOM 1154 HG SER A 77 15.570 6.510 19.666 1.00 0.00 H ATOM 1155 H SER A 77 19.243 5.758 18.307 1.00 0.00 H ATOM 1156 N THR A 78 19.878 8.662 21.202 1.00 24.20 N ATOM 1157 CA THR A 78 20.868 8.755 22.259 1.00 25.04 C ATOM 1158 C THR A 78 20.559 7.637 23.246 1.00 25.01 C ATOM 1159 O THR A 78 19.410 7.193 23.374 1.00 25.67 O ATOM 1160 CB THR A 78 20.869 10.124 22.994 1.00 25.21 C ATOM 1161 OG1 THR A 78 19.648 10.288 23.727 1.00 26.60 O ATOM 1162 CG2 THR A 78 21.048 11.282 22.021 1.00 26.66 C ATOM 1163 HA THR A 78 21.861 8.662 21.818 1.00 0.00 H ATOM 1164 HB THR A 78 21.713 10.131 23.684 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.564 9.560 24.393 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.978 11.150 21.468 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.210 11.303 21.325 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.084 12.219 22.576 1.00 0.00 H ATOM 1169 H THR A 78 19.157 9.405 21.105 1.00 0.00 H ATOM 1170 N MET A 79 21.597 7.179 23.923 1.00 24.80 N ATOM 1171 CA MET A 79 21.472 6.109 24.892 1.00 24.15 C ATOM 1172 C MET A 79 22.123 6.552 26.177 1.00 23.98 C ATOM 1173 O MET A 79 23.068 7.347 26.164 1.00 22.99 O ATOM 1174 CB MET A 79 22.135 4.842 24.364 1.00 24.20 C ATOM 1175 CG MET A 79 21.387 4.181 23.208 1.00 23.65 C ATOM 1176 SD MET A 79 22.092 2.576 22.808 1.00 24.69 S ATOM 1177 CE MET A 79 20.774 1.877 21.824 1.00 23.82 C ATOM 1178 HA MET A 79 20.420 5.887 25.071 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.138 5.097 24.022 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.204 4.125 25.182 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.448 4.825 22.331 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.342 4.050 23.489 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.865 1.821 22.423 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.598 2.509 20.953 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.058 0.877 21.497 1.00 0.00 H ATOM 1186 H MET A 79 22.533 7.600 23.755 1.00 0.00 H ATOM 1187 N SER A 80 21.601 6.051 27.294 1.00 23.79 N ATOM 1188 CA SER A 80 22.191 6.332 28.588 1.00 23.97 C ATOM 1189 C SER A 80 23.501 5.567 28.716 1.00 24.11 C ATOM 1190 O SER A 80 23.531 4.346 28.554 1.00 24.88 O ATOM 1191 CB SER A 80 21.229 5.946 29.709 1.00 23.85 C ATOM 1192 OG SER A 80 21.860 6.086 30.970 1.00 24.29 O ATOM 1193 HA SER A 80 22.390 7.400 28.672 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.918 4.910 29.575 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.354 6.594 29.671 1.00 0.00 H ATOM 1196 HG SER A 80 21.225 5.832 31.686 1.00 0.00 H ATOM 1197 H SER A 80 20.756 5.448 27.238 1.00 0.00 H ATOM 1198 N ILE A 81 24.585 6.293 28.970 1.00 24.32 N ATOM 1199 CA ILE A 81 25.915 5.678 29.073 1.00 25.06 C ATOM 1200 C ILE A 81 26.724 6.246 30.240 1.00 24.70 C ATOM 1201 O ILE A 81 26.501 7.376 30.682 1.00 24.88 O ATOM 1202 CB ILE A 81 26.725 5.817 27.756 1.00 24.83 C ATOM 1203 CG1 ILE A 81 27.082 7.289 27.469 1.00 25.71 C ATOM 1204 CG2 ILE A 81 25.958 5.173 26.588 1.00 25.45 C ATOM 1205 CD1 ILE A 81 28.053 7.502 26.324 1.00 26.06 C ATOM 1206 HA ILE A 81 25.740 4.619 29.260 1.00 0.00 H ATOM 1207 HB ILE A 81 27.668 5.283 27.872 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.160 7.821 27.234 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.524 7.712 28.371 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.990 6.990 26.544 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.624 7.100 25.406 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.240 8.569 26.202 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.798 4.116 26.799 1.00 0.00 H ATOM 1214 HG22 ILE A 81 24.995 5.670 26.469 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.539 5.279 25.672 1.00 0.00 H ATOM 1216 H ILE A 81 24.489 7.321 29.099 1.00 0.00 H ATOM 1217 N THR A 82 27.676 5.455 30.716 1.00 24.64 N ATOM 1218 CA THR A 82 28.653 5.938 31.673 1.00 24.87 C ATOM 1219 C THR A 82 30.037 5.746 31.092 1.00 24.74 C ATOM 1220 O THR A 82 30.443 4.618 30.789 1.00 24.43 O ATOM 1221 CB THR A 82 28.552 5.222 33.030 1.00 24.64 C ATOM 1222 OG1 THR A 82 27.216 5.331 33.533 1.00 25.38 O ATOM 1223 CG2 THR A 82 29.520 5.849 34.037 1.00 24.98 C ATOM 1224 HA THR A 82 28.453 6.994 31.857 1.00 0.00 H ATOM 1225 HB THR A 82 28.811 4.173 32.890 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.588 4.912 32.892 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.539 5.768 33.658 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.266 6.899 34.178 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.442 5.324 34.989 1.00 0.00 H ATOM 1230 H THR A 82 27.723 4.467 30.396 1.00 0.00 H ATOM 1231 N ASP A 83 30.727 6.868 30.915 1.00 24.87 N ATOM 1232 CA ASP A 83 32.119 6.901 30.514 1.00 25.21 C ATOM 1233 C ASP A 83 32.999 6.698 31.752 1.00 24.80 C ATOM 1234 O ASP A 83 32.816 7.383 32.771 1.00 24.16 O ATOM 1235 CB ASP A 83 32.408 8.248 29.846 1.00 25.92 C ATOM 1236 CG ASP A 83 33.871 8.463 29.559 1.00 27.65 C ATOM 1237 OD1 ASP A 83 34.315 8.109 28.449 1.00 31.39 O ATOM 1238 OD2 ASP A 83 34.577 9.001 30.437 1.00 29.11 O ATOM 1239 HA ASP A 83 32.336 6.105 29.802 1.00 0.00 H ATOM 1240 HB2 ASP A 83 31.859 8.294 28.905 1.00 0.00 H ATOM 1241 HB3 ASP A 83 32.063 9.044 30.506 1.00 0.00 H ATOM 1242 H ASP A 83 30.240 7.773 31.073 1.00 0.00 H ATOM 1243 N CYS A 84 33.926 5.738 31.670 1.00 24.33 N ATOM 1244 CA CYS A 84 34.917 5.489 32.726 1.00 24.43 C ATOM 1245 C CYS A 84 36.324 5.789 32.217 1.00 24.72 C ATOM 1246 O CYS A 84 36.768 5.210 31.229 1.00 24.14 O ATOM 1247 CB CYS A 84 34.860 4.037 33.200 1.00 24.45 C ATOM 1248 SG CYS A 84 33.298 3.581 33.944 1.00 23.76 S ATOM 1249 HA CYS A 84 34.680 6.147 33.562 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.649 3.884 33.936 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.035 3.388 32.342 1.00 0.00 H ATOM 1252 H CYS A 84 33.947 5.140 30.819 1.00 0.00 H ATOM 1253 N ARG A 85 37.017 6.681 32.916 1.00 25.06 N ATOM 1254 CA ARG A 85 38.276 7.249 32.451 1.00 25.70 C ATOM 1255 C ARG A 85 39.275 7.232 33.604 1.00 26.01 C ATOM 1256 O ARG A 85 39.007 7.793 34.669 1.00 25.66 O ATOM 1257 CB ARG A 85 38.018 8.697 32.017 1.00 26.04 C ATOM 1258 CG ARG A 85 39.097 9.344 31.182 1.00 27.46 C ATOM 1259 CD ARG A 85 38.491 10.471 30.368 1.00 29.53 C ATOM 1260 NE ARG A 85 37.511 9.971 29.397 1.00 30.85 N ATOM 1261 CZ ARG A 85 37.764 9.789 28.103 1.00 31.40 C ATOM 1262 NH1 ARG A 85 38.968 10.078 27.610 1.00 31.67 N ATOM 1263 NH2 ARG A 85 36.810 9.328 27.299 1.00 31.35 N ATOM 1264 HA ARG A 85 38.675 6.675 31.615 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.095 8.712 31.438 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.889 9.297 32.918 1.00 0.00 H ATOM 1267 HG2 ARG A 85 39.874 9.742 31.835 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.533 8.603 30.511 1.00 0.00 H ATOM 1269 HD2 ARG A 85 39.287 10.989 29.833 1.00 0.00 H ATOM 1270 HD3 ARG A 85 37.996 11.169 31.043 1.00 0.00 H ATOM 1271 HE ARG A 85 36.557 9.744 29.742 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.164 9.935 26.599 1.00 0.00 H ATOM 1273 HH11 ARG A 85 39.712 10.446 28.237 1.00 0.00 H ATOM 1274 HH22 ARG A 85 37.006 9.185 26.288 1.00 0.00 H ATOM 1275 HH21 ARG A 85 35.868 9.110 27.682 1.00 0.00 H ATOM 1276 H ARG A 85 36.644 6.988 33.837 1.00 0.00 H ATOM 1277 N GLU A 86 40.414 6.575 33.398 1.00 26.23 N ATOM 1278 CA GLU A 86 41.430 6.448 34.444 1.00 27.06 C ATOM 1279 C GLU A 86 41.922 7.829 34.906 1.00 27.17 C ATOM 1280 O GLU A 86 42.173 8.716 34.083 1.00 27.22 O ATOM 1281 CB GLU A 86 42.581 5.567 33.946 1.00 27.08 C ATOM 1282 CG GLU A 86 43.645 5.275 34.970 1.00 28.23 C ATOM 1283 CD GLU A 86 44.650 4.239 34.507 1.00 27.42 C ATOM 1284 OE1 GLU A 86 44.873 4.105 33.285 1.00 28.55 O ATOM 1285 OE2 GLU A 86 45.224 3.566 35.379 1.00 28.68 O ATOM 1286 HA GLU A 86 40.986 5.965 35.314 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.161 4.618 33.613 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.052 6.070 33.102 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.177 6.200 35.191 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.163 4.910 35.877 1.00 0.00 H ATOM 1291 H GLU A 86 40.587 6.140 32.469 1.00 0.00 H ATOM 1292 N THR A 87 42.025 8.009 36.224 1.00 27.28 N ATOM 1293 CA THR A 87 42.494 9.275 36.807 1.00 27.60 C ATOM 1294 C THR A 87 44.011 9.395 36.695 1.00 27.40 C ATOM 1295 O THR A 87 44.702 8.406 36.456 1.00 27.39 O ATOM 1296 CB THR A 87 42.107 9.411 38.300 1.00 27.50 C ATOM 1297 OG1 THR A 87 42.758 8.386 39.059 1.00 27.84 O ATOM 1298 CG2 THR A 87 40.598 9.318 38.493 1.00 27.77 C ATOM 1299 HA THR A 87 42.007 10.070 36.241 1.00 0.00 H ATOM 1300 HB THR A 87 42.431 10.392 38.649 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.474 7.499 38.724 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.110 10.101 37.913 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.249 8.342 38.155 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.360 9.445 39.549 1.00 0.00 H ATOM 1305 H THR A 87 41.765 7.228 36.860 1.00 0.00 H ATOM 1306 N GLY A 88 44.521 10.612 36.875 1.00 27.83 N ATOM 1307 CA GLY A 88 45.964 10.856 36.860 1.00 27.83 C ATOM 1308 C GLY A 88 46.716 10.103 37.946 1.00 28.02 C ATOM 1309 O GLY A 88 47.841 9.645 37.728 1.00 28.19 O ATOM 1310 HA3 GLY A 88 46.135 11.924 36.998 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.357 10.548 35.891 1.00 0.00 H ATOM 1312 H GLY A 88 43.875 11.412 37.031 1.00 0.00 H ATOM 1313 N SER A 89 46.084 9.975 39.112 1.00 27.92 N ATOM 1314 CA SER A 89 46.672 9.304 40.273 1.00 27.95 C ATOM 1315 C SER A 89 46.571 7.779 40.213 1.00 27.60 C ATOM 1316 O SER A 89 47.278 7.080 40.941 1.00 27.79 O ATOM 1317 CB SER A 89 46.007 9.806 41.559 1.00 28.05 C ATOM 1318 OG SER A 89 44.604 9.587 41.506 1.00 29.06 O ATOM 1319 HA SER A 89 47.733 9.553 40.265 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.201 10.873 41.672 1.00 0.00 H ATOM 1321 HB3 SER A 89 46.423 9.270 42.412 1.00 0.00 H ATOM 1322 HG SER A 89 44.188 9.916 42.342 1.00 0.00 H ATOM 1323 H SER A 89 45.127 10.371 39.202 1.00 0.00 H ATOM 1324 N SER A 90 45.685 7.266 39.358 1.00 27.35 N ATOM 1325 CA SER A 90 45.480 5.825 39.228 1.00 26.99 C ATOM 1326 C SER A 90 46.774 5.091 38.889 1.00 26.86 C ATOM 1327 O SER A 90 47.507 5.484 37.984 1.00 26.91 O ATOM 1328 CB SER A 90 44.418 5.524 38.171 1.00 26.69 C ATOM 1329 OG SER A 90 44.276 4.126 37.978 1.00 26.75 O ATOM 1330 HA SER A 90 45.135 5.463 40.197 1.00 0.00 H ATOM 1331 HB2 SER A 90 44.711 5.986 37.229 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.464 5.938 38.496 1.00 0.00 H ATOM 1333 HG SER A 90 45.140 3.746 37.679 1.00 0.00 H ATOM 1334 H SER A 90 45.123 7.911 38.766 1.00 0.00 H ATOM 1335 N LYS A 91 47.045 4.027 39.635 1.00 26.84 N ATOM 1336 CA LYS A 91 48.226 3.209 39.427 1.00 26.85 C ATOM 1337 C LYS A 91 47.862 1.751 39.648 1.00 26.79 C ATOM 1338 O LYS A 91 47.364 1.394 40.716 1.00 26.68 O ATOM 1339 CB LYS A 91 49.354 3.657 40.372 1.00 27.03 C ATOM 1340 CG LYS A 91 50.391 2.593 40.707 1.00 28.09 C ATOM 1341 CD LYS A 91 50.112 1.916 42.061 1.00 29.25 C ATOM 1342 CE LYS A 91 51.248 0.988 42.476 1.00 29.07 C ATOM 1343 NZ LYS A 91 52.470 1.752 42.853 1.00 28.80 N ATOM 1344 HA LYS A 91 48.588 3.328 38.406 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.871 4.495 39.904 1.00 0.00 H ATOM 1346 HB3 LYS A 91 48.899 3.988 41.305 1.00 0.00 H ATOM 1347 HG2 LYS A 91 50.380 1.833 39.925 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.375 3.061 40.744 1.00 0.00 H ATOM 1349 HD2 LYS A 91 49.990 2.686 42.822 1.00 0.00 H ATOM 1350 HD3 LYS A 91 49.193 1.335 41.983 1.00 0.00 H ATOM 1351 HE2 LYS A 91 51.487 0.326 41.643 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.925 0.393 43.330 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.788 2.318 42.041 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 52.251 2.382 43.651 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 53.221 1.088 43.129 1.00 0.00 H ATOM 1356 H LYS A 91 46.386 3.770 40.397 1.00 0.00 H ATOM 1357 N TYR A 92 48.101 0.919 38.634 1.00 26.78 N ATOM 1358 CA TYR A 92 47.850 -0.522 38.725 1.00 26.95 C ATOM 1359 C TYR A 92 48.645 -1.117 39.892 1.00 26.96 C ATOM 1360 O TYR A 92 49.824 -0.794 40.050 1.00 27.31 O ATOM 1361 CB TYR A 92 48.237 -1.221 37.416 1.00 26.87 C ATOM 1362 CG TYR A 92 48.046 -2.727 37.428 1.00 26.84 C ATOM 1363 CD1 TYR A 92 49.083 -3.581 37.822 1.00 26.68 C ATOM 1364 CD2 TYR A 92 46.828 -3.298 37.066 1.00 26.42 C ATOM 1365 CE1 TYR A 92 48.909 -4.962 37.836 1.00 26.64 C ATOM 1366 CE2 TYR A 92 46.642 -4.675 37.079 1.00 26.73 C ATOM 1367 CZ TYR A 92 47.687 -5.503 37.463 1.00 27.04 C ATOM 1368 OH TYR A 92 47.516 -6.871 37.479 1.00 27.01 O ATOM 1369 HA TYR A 92 46.786 -0.679 38.899 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.288 -1.012 37.216 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.626 -0.806 36.614 1.00 0.00 H ATOM 1372 HD2 TYR A 92 46.004 -2.651 36.766 1.00 0.00 H ATOM 1373 HE2 TYR A 92 45.682 -5.102 36.789 1.00 0.00 H ATOM 1374 HE1 TYR A 92 49.728 -5.615 38.138 1.00 0.00 H ATOM 1375 HD1 TYR A 92 50.042 -3.158 38.122 1.00 0.00 H ATOM 1376 HH TYR A 92 47.285 -7.184 36.569 1.00 0.00 H ATOM 1377 H TYR A 92 48.479 1.307 37.746 1.00 0.00 H ATOM 1378 N PRO A 93 48.019 -2.013 40.685 1.00 27.13 N ATOM 1379 CA PRO A 93 46.670 -2.587 40.547 1.00 27.13 C ATOM 1380 C PRO A 93 45.529 -1.831 41.245 1.00 27.17 C ATOM 1381 O PRO A 93 44.409 -2.342 41.308 1.00 27.66 O ATOM 1382 CB PRO A 93 46.828 -3.992 41.153 1.00 27.32 C ATOM 1383 CG PRO A 93 48.118 -3.957 41.954 1.00 27.33 C ATOM 1384 CD PRO A 93 48.712 -2.582 41.852 1.00 27.08 C ATOM 1385 HA PRO A 93 46.363 -2.552 39.502 1.00 0.00 H ATOM 1386 HD3 PRO A 93 48.511 -1.999 42.751 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.788 -2.630 41.685 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.818 -4.690 41.554 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.908 -4.189 42.998 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.984 -4.222 41.803 1.00 0.00 H ATOM 1391 HB3 PRO A 93 46.892 -4.741 40.364 1.00 0.00 H ATOM 1392 N ASN A 94 45.803 -0.632 41.751 1.00 27.08 N ATOM 1393 CA ASN A 94 44.772 0.199 42.373 1.00 27.11 C ATOM 1394 C ASN A 94 44.201 1.182 41.365 1.00 26.73 C ATOM 1395 O ASN A 94 44.395 2.394 41.470 1.00 26.81 O ATOM 1396 CB ASN A 94 45.320 0.936 43.603 1.00 27.44 C ATOM 1397 CG ASN A 94 45.486 0.027 44.808 1.00 28.73 C ATOM 1398 OD1 ASN A 94 45.798 -1.159 44.675 1.00 30.61 O ATOM 1399 ND2 ASN A 94 45.287 0.585 45.995 1.00 30.09 N ATOM 1400 HA ASN A 94 43.968 -0.456 42.710 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.291 1.361 43.351 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.630 1.739 43.864 1.00 0.00 H ATOM 1403 HD22 ASN A 94 45.025 1.589 46.060 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.393 0.018 46.860 1.00 0.00 H ATOM 1405 H ASN A 94 46.779 -0.275 41.703 1.00 0.00 H ATOM 1406 N CYS A 95 43.502 0.637 40.377 1.00 26.27 N ATOM 1407 CA CYS A 95 42.944 1.427 39.290 1.00 25.86 C ATOM 1408 C CYS A 95 41.839 2.347 39.789 1.00 25.98 C ATOM 1409 O CYS A 95 40.949 1.918 40.528 1.00 26.63 O ATOM 1410 CB CYS A 95 42.422 0.504 38.196 1.00 25.84 C ATOM 1411 SG CYS A 95 43.680 -0.652 37.640 1.00 23.96 S ATOM 1412 HA CYS A 95 43.734 2.055 38.878 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.099 1.109 37.349 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.573 -0.058 38.584 1.00 0.00 H ATOM 1415 H CYS A 95 43.348 -0.391 40.380 1.00 0.00 H ATOM 1416 N ALA A 96 41.918 3.613 39.392 1.00 25.56 N ATOM 1417 CA ALA A 96 40.964 4.627 39.829 1.00 24.76 C ATOM 1418 C ALA A 96 40.397 5.341 38.614 1.00 24.40 C ATOM 1419 O ALA A 96 41.137 5.670 37.680 1.00 24.05 O ATOM 1420 CB ALA A 96 41.628 5.622 40.785 1.00 24.88 C ATOM 1421 HA ALA A 96 40.151 4.143 40.370 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.001 5.090 41.660 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.457 6.114 40.277 1.00 0.00 H ATOM 1424 HB3 ALA A 96 40.897 6.368 41.097 1.00 0.00 H ATOM 1425 H ALA A 96 42.686 3.890 38.748 1.00 0.00 H ATOM 1426 N TYR A 97 39.085 5.576 38.637 1.00 23.66 N ATOM 1427 CA TYR A 97 38.362 6.115 37.483 1.00 23.38 C ATOM 1428 C TYR A 97 37.473 7.308 37.814 1.00 23.54 C ATOM 1429 O TYR A 97 36.900 7.382 38.903 1.00 24.01 O ATOM 1430 CB TYR A 97 37.513 5.009 36.840 1.00 22.70 C ATOM 1431 CG TYR A 97 38.351 3.920 36.223 1.00 21.82 C ATOM 1432 CD1 TYR A 97 38.754 2.818 36.974 1.00 22.38 C ATOM 1433 CD2 TYR A 97 38.770 4.006 34.898 1.00 21.82 C ATOM 1434 CE1 TYR A 97 39.544 1.827 36.424 1.00 21.68 C ATOM 1435 CE2 TYR A 97 39.565 3.021 34.335 1.00 22.45 C ATOM 1436 CZ TYR A 97 39.954 1.932 35.109 1.00 22.18 C ATOM 1437 OH TYR A 97 40.731 0.938 34.561 1.00 22.02 O ATOM 1438 HA TYR A 97 39.122 6.476 36.790 1.00 0.00 H ATOM 1439 HB3 TYR A 97 36.891 5.453 36.063 1.00 0.00 H ATOM 1440 HB2 TYR A 97 36.876 4.568 37.606 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.468 4.862 34.294 1.00 0.00 H ATOM 1442 HE2 TYR A 97 39.883 3.098 33.295 1.00 0.00 H ATOM 1443 HE1 TYR A 97 39.842 0.967 37.024 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.440 2.736 38.015 1.00 0.00 H ATOM 1445 HH TYR A 97 40.252 0.529 33.797 1.00 0.00 H ATOM 1446 H TYR A 97 38.555 5.369 39.507 1.00 0.00 H ATOM 1447 N LYS A 98 37.389 8.246 36.873 1.00 23.67 N ATOM 1448 CA LYS A 98 36.375 9.294 36.890 1.00 23.78 C ATOM 1449 C LYS A 98 35.126 8.747 36.203 1.00 23.78 C ATOM 1450 O LYS A 98 35.204 8.156 35.119 1.00 23.40 O ATOM 1451 CB LYS A 98 36.884 10.552 36.182 1.00 23.90 C ATOM 1452 CG LYS A 98 35.871 11.685 36.067 1.00 25.50 C ATOM 1453 CD LYS A 98 36.535 12.961 35.576 1.00 27.62 C ATOM 1454 CE LYS A 98 35.524 13.895 34.927 1.00 29.30 C ATOM 1455 NZ LYS A 98 36.107 15.246 34.679 1.00 31.41 N ATOM 1456 HA LYS A 98 36.142 9.577 37.916 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.747 10.925 36.734 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.193 10.271 35.175 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.090 11.396 35.364 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.427 11.868 37.046 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.997 13.470 36.422 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.302 12.704 34.845 1.00 0.00 H ATOM 1463 HE2 LYS A 98 34.662 13.997 35.586 1.00 0.00 H ATOM 1464 HE3 LYS A 98 35.205 13.467 33.977 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.408 15.663 35.583 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.927 15.157 34.046 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 35.390 15.856 34.236 1.00 0.00 H ATOM 1468 H LYS A 98 38.076 8.231 36.092 1.00 0.00 H ATOM 1469 N THR A 99 33.983 8.929 36.856 1.00 23.68 N ATOM 1470 CA THR A 99 32.699 8.467 36.344 1.00 23.43 C ATOM 1471 C THR A 99 31.934 9.630 35.708 1.00 23.86 C ATOM 1472 O THR A 99 31.664 10.636 36.366 1.00 23.43 O ATOM 1473 CB THR A 99 31.855 7.841 37.482 1.00 23.60 C ATOM 1474 OG1 THR A 99 32.521 6.682 37.991 1.00 22.97 O ATOM 1475 CG2 THR A 99 30.463 7.455 37.002 1.00 23.24 C ATOM 1476 HA THR A 99 32.884 7.706 35.586 1.00 0.00 H ATOM 1477 HB THR A 99 31.746 8.588 38.268 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.634 6.021 37.263 1.00 0.00 H ATOM 1479 HG23 THR A 99 29.956 8.338 36.614 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.546 6.707 36.214 1.00 0.00 H ATOM 1481 HG22 THR A 99 29.894 7.044 37.836 1.00 0.00 H ATOM 1482 H THR A 99 34.006 9.422 37.771 1.00 0.00 H ATOM 1483 N THR A 100 31.597 9.495 34.427 1.00 24.02 N ATOM 1484 CA THR A 100 30.785 10.502 33.741 1.00 24.63 C ATOM 1485 C THR A 100 29.563 9.900 33.058 1.00 24.57 C ATOM 1486 O THR A 100 29.683 9.138 32.099 1.00 24.49 O ATOM 1487 CB THR A 100 31.592 11.313 32.703 1.00 25.07 C ATOM 1488 OG1 THR A 100 32.756 11.868 33.325 1.00 25.04 O ATOM 1489 CG2 THR A 100 30.743 12.460 32.141 1.00 25.56 C ATOM 1490 HA THR A 100 30.452 11.177 34.530 1.00 0.00 H ATOM 1491 HB THR A 100 31.880 10.644 31.892 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.319 11.136 33.681 1.00 0.00 H ATOM 1493 HG23 THR A 100 29.852 12.051 31.664 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.449 13.125 32.953 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.326 13.017 31.408 1.00 0.00 H ATOM 1496 H THR A 100 31.917 8.656 33.902 1.00 0.00 H ATOM 1497 N GLN A 101 28.391 10.265 33.565 1.00 24.71 N ATOM 1498 CA GLN A 101 27.132 9.879 32.959 1.00 24.40 C ATOM 1499 C GLN A 101 26.810 10.847 31.830 1.00 23.84 C ATOM 1500 O GLN A 101 27.017 12.054 31.956 1.00 23.93 O ATOM 1501 CB GLN A 101 26.014 9.892 34.003 1.00 24.76 C ATOM 1502 CG GLN A 101 24.606 9.655 33.455 1.00 26.02 C ATOM 1503 CD GLN A 101 24.419 8.277 32.841 1.00 27.22 C ATOM 1504 OE1 GLN A 101 23.657 8.112 31.884 1.00 28.70 O ATOM 1505 NE2 GLN A 101 25.110 7.283 33.389 1.00 28.08 N ATOM 1506 HA GLN A 101 27.214 8.868 32.561 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.227 9.112 34.734 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.025 10.864 34.496 1.00 0.00 H ATOM 1509 HG2 GLN A 101 23.894 9.769 34.272 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.402 10.404 32.690 1.00 0.00 H ATOM 1511 HE22 GLN A 101 25.740 7.470 34.195 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.021 6.318 33.012 1.00 0.00 H ATOM 1513 H GLN A 101 28.376 10.848 34.426 1.00 0.00 H ATOM 1514 N ALA A 102 26.315 10.311 30.722 1.00 23.05 N ATOM 1515 CA ALA A 102 25.873 11.145 29.617 1.00 22.01 C ATOM 1516 C ALA A 102 24.785 10.444 28.816 1.00 21.73 C ATOM 1517 O ALA A 102 24.509 9.260 29.021 1.00 21.11 O ATOM 1518 CB ALA A 102 27.055 11.514 28.719 1.00 22.81 C ATOM 1519 HA ALA A 102 25.453 12.064 30.026 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.796 12.061 29.302 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.504 10.605 28.320 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.704 12.139 27.897 1.00 0.00 H ATOM 1523 H ALA A 102 26.242 9.277 30.643 1.00 0.00 H ATOM 1524 N ASN A 103 24.148 11.189 27.923 1.00 21.04 N ATOM 1525 CA ASN A 103 23.257 10.588 26.947 1.00 21.52 C ATOM 1526 C ASN A 103 23.804 10.902 25.577 1.00 21.27 C ATOM 1527 O ASN A 103 23.838 12.056 25.163 1.00 21.14 O ATOM 1528 CB ASN A 103 21.818 11.072 27.127 1.00 21.85 C ATOM 1529 CG ASN A 103 21.199 10.545 28.405 1.00 23.90 C ATOM 1530 OD1 ASN A 103 20.436 9.577 28.389 1.00 26.94 O ATOM 1531 ND2 ASN A 103 21.560 11.151 29.524 1.00 25.57 N ATOM 1532 HA ASN A 103 23.216 9.507 27.083 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.814 12.162 27.157 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.223 10.730 26.280 1.00 0.00 H ATOM 1535 HD22 ASN A 103 22.207 11.965 29.489 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.197 10.814 30.438 1.00 0.00 H ATOM 1537 H ASN A 103 24.289 12.219 27.922 1.00 0.00 H ATOM 1538 N LYS A 104 24.265 9.862 24.892 1.00 21.39 N ATOM 1539 CA LYS A 104 24.972 10.031 23.641 1.00 21.75 C ATOM 1540 C LYS A 104 24.622 8.897 22.702 1.00 21.15 C ATOM 1541 O LYS A 104 24.157 7.849 23.134 1.00 21.50 O ATOM 1542 CB LYS A 104 26.486 10.019 23.885 1.00 21.87 C ATOM 1543 CG LYS A 104 27.049 11.304 24.491 1.00 22.70 C ATOM 1544 CD LYS A 104 28.566 11.239 24.562 1.00 23.59 C ATOM 1545 CE LYS A 104 29.158 12.582 24.972 1.00 27.77 C ATOM 1546 NZ LYS A 104 30.633 12.455 25.191 1.00 30.95 N ATOM 1547 HA LYS A 104 24.680 10.985 23.201 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.714 9.196 24.563 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.982 9.849 22.929 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.755 12.152 23.872 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.648 11.433 25.496 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.856 10.485 25.293 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.956 10.962 23.583 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.685 12.917 25.895 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.973 13.312 24.184 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.812 11.761 25.944 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 31.087 12.138 24.311 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 31.022 13.378 25.470 1.00 0.00 H ATOM 1559 H LYS A 104 24.114 8.903 25.264 1.00 0.00 H ATOM 1560 N HIS A 105 24.858 9.106 21.414 1.00 20.61 N ATOM 1561 CA HIS A 105 24.728 8.025 20.446 1.00 20.32 C ATOM 1562 C HIS A 105 25.944 7.134 20.584 1.00 20.20 C ATOM 1563 O HIS A 105 27.048 7.631 20.815 1.00 20.52 O ATOM 1564 CB HIS A 105 24.664 8.581 19.030 1.00 20.34 C ATOM 1565 CG HIS A 105 23.531 9.538 18.811 1.00 22.09 C ATOM 1566 ND1 HIS A 105 22.317 9.141 18.298 1.00 23.99 N ATOM 1567 CD2 HIS A 105 23.422 10.866 19.055 1.00 23.74 C ATOM 1568 CE1 HIS A 105 21.510 10.185 18.220 1.00 25.26 C ATOM 1569 NE2 HIS A 105 22.156 11.245 18.674 1.00 25.20 N ATOM 1570 HA HIS A 105 23.811 7.466 20.634 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.599 9.100 18.821 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.550 7.747 18.337 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.193 11.513 19.474 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.487 10.174 17.845 1.00 0.00 H ATOM 1575 H HIS A 105 25.139 10.054 21.091 1.00 0.00 H ATOM 1576 N ILE A 106 25.745 5.825 20.471 1.00 19.49 N ATOM 1577 CA ILE A 106 26.883 4.893 20.544 1.00 18.73 C ATOM 1578 C ILE A 106 27.207 4.394 19.156 1.00 18.08 C ATOM 1579 O ILE A 106 26.340 4.348 18.292 1.00 17.89 O ATOM 1580 CB ILE A 106 26.639 3.710 21.530 1.00 18.64 C ATOM 1581 CG1 ILE A 106 25.512 2.795 21.025 1.00 20.26 C ATOM 1582 CG2 ILE A 106 26.367 4.271 22.925 1.00 19.16 C ATOM 1583 CD1 ILE A 106 25.410 1.428 21.765 1.00 20.55 C ATOM 1584 HA ILE A 106 27.737 5.438 20.946 1.00 0.00 H ATOM 1585 HB ILE A 106 27.530 3.084 21.587 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.565 3.321 21.148 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.682 2.598 19.966 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.344 0.879 21.642 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.226 1.603 22.825 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.589 0.849 21.343 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.227 4.853 23.255 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.485 4.910 22.892 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.196 3.448 23.619 1.00 0.00 H ATOM 1594 H ILE A 106 24.782 5.457 20.331 1.00 0.00 H ATOM 1595 N ILE A 107 28.471 4.051 18.941 1.00 17.28 N ATOM 1596 CA ILE A 107 28.891 3.438 17.692 1.00 16.47 C ATOM 1597 C ILE A 107 29.549 2.120 18.058 1.00 16.08 C ATOM 1598 O ILE A 107 30.510 2.099 18.837 1.00 16.72 O ATOM 1599 CB ILE A 107 29.885 4.319 16.923 1.00 16.92 C ATOM 1600 CG1 ILE A 107 29.203 5.639 16.520 1.00 16.98 C ATOM 1601 CG2 ILE A 107 30.390 3.580 15.704 1.00 17.47 C ATOM 1602 CD1 ILE A 107 30.170 6.611 15.819 1.00 18.32 C ATOM 1603 HA ILE A 107 28.029 3.299 17.040 1.00 0.00 H ATOM 1604 HB ILE A 107 30.738 4.550 17.562 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.379 5.415 15.842 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.813 6.120 17.417 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.994 6.849 16.491 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.560 6.144 14.915 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.637 7.525 15.557 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.889 2.663 16.017 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.549 3.334 15.055 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.095 4.212 15.164 1.00 0.00 H ATOM 1613 H ILE A 107 29.178 4.225 19.684 1.00 0.00 H ATOM 1614 N VAL A 108 29.008 1.028 17.522 1.00 13.01 N ATOM 1615 CA VAL A 108 29.546 -0.308 17.793 1.00 12.62 C ATOM 1616 C VAL A 108 29.903 -0.999 16.478 1.00 12.05 C ATOM 1617 O VAL A 108 29.362 -0.655 15.428 1.00 11.63 O ATOM 1618 CB VAL A 108 28.525 -1.166 18.578 1.00 12.43 C ATOM 1619 CG1 VAL A 108 28.271 -0.546 19.949 1.00 12.79 C ATOM 1620 CG2 VAL A 108 27.208 -1.299 17.771 1.00 12.42 C ATOM 1621 HA VAL A 108 30.443 -0.200 18.402 1.00 0.00 H ATOM 1622 HB VAL A 108 28.932 -2.166 18.726 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.207 -0.502 20.505 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.874 0.461 19.823 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.551 -1.156 20.495 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.787 -0.308 17.600 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.417 -1.777 16.814 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.498 -1.905 18.334 1.00 0.00 H ATOM 1629 H VAL A 108 28.183 1.125 16.896 1.00 0.00 H ATOM 1630 N ALA A 109 30.850 -1.924 16.546 1.00 11.53 N ATOM 1631 CA ALA A 109 31.165 -2.810 15.429 1.00 11.16 C ATOM 1632 C ALA A 109 30.422 -4.112 15.676 1.00 11.10 C ATOM 1633 O ALA A 109 30.339 -4.592 16.825 1.00 10.94 O ATOM 1634 CB ALA A 109 32.650 -3.063 15.341 1.00 11.93 C ATOM 1635 HA ALA A 109 30.862 -2.356 14.485 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.170 -2.117 15.195 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.993 -3.529 16.265 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.855 -3.726 14.500 1.00 0.00 H ATOM 1639 H ALA A 109 31.390 -2.023 17.430 1.00 0.00 H ATOM 1640 N CYS A 110 29.865 -4.664 14.606 1.00 10.59 N ATOM 1641 CA CYS A 110 29.087 -5.903 14.693 1.00 11.14 C ATOM 1642 C CYS A 110 29.655 -6.958 13.755 1.00 11.52 C ATOM 1643 O CYS A 110 30.197 -6.638 12.685 1.00 10.98 O ATOM 1644 CB CYS A 110 27.617 -5.647 14.372 1.00 12.32 C ATOM 1645 SG CYS A 110 26.862 -4.343 15.374 1.00 12.47 S ATOM 1646 HA CYS A 110 29.155 -6.272 15.716 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.063 -6.571 14.538 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.539 -5.362 13.323 1.00 0.00 H ATOM 1649 H CYS A 110 29.984 -4.205 13.680 1.00 0.00 H ATOM 1650 N GLU A 111 29.525 -8.220 14.159 1.00 11.71 N ATOM 1651 CA GLU A 111 30.077 -9.341 13.397 1.00 12.64 C ATOM 1652 C GLU A 111 29.280 -10.579 13.726 1.00 11.85 C ATOM 1653 O GLU A 111 28.635 -10.651 14.782 1.00 12.26 O ATOM 1654 CB GLU A 111 31.526 -9.634 13.790 1.00 12.39 C ATOM 1655 CG GLU A 111 32.554 -8.614 13.327 1.00 15.91 C ATOM 1656 CD GLU A 111 33.961 -8.977 13.759 1.00 16.95 C ATOM 1657 OE1 GLU A 111 34.095 -9.718 14.767 1.00 16.87 O ATOM 1658 OE2 GLU A 111 34.918 -8.522 13.077 1.00 19.59 O ATOM 1659 HA GLU A 111 30.033 -9.080 12.340 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.574 -9.688 14.878 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.799 -10.601 13.367 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.525 -8.556 12.239 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.298 -7.642 13.748 1.00 0.00 H ATOM 1664 H GLU A 111 29.015 -8.415 15.044 1.00 0.00 H ATOM 1665 N GLY A 112 29.386 -11.569 12.845 1.00 11.50 N ATOM 1666 CA GLY A 112 28.882 -12.907 13.111 1.00 12.03 C ATOM 1667 C GLY A 112 27.494 -13.184 12.595 1.00 12.76 C ATOM 1668 O GLY A 112 26.837 -12.322 12.003 1.00 12.61 O ATOM 1669 HA3 GLY A 112 28.877 -13.057 14.191 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.563 -13.622 12.649 1.00 0.00 H ATOM 1671 H GLY A 112 29.846 -11.380 11.932 1.00 0.00 H ATOM 1672 N ASN A 113 27.063 -14.420 12.823 1.00 13.23 N ATOM 1673 CA ASN A 113 25.696 -14.853 12.597 1.00 13.75 C ATOM 1674 C ASN A 113 25.279 -15.604 13.858 1.00 13.91 C ATOM 1675 O ASN A 113 25.741 -16.725 14.082 1.00 13.55 O ATOM 1676 CB ASN A 113 25.618 -15.761 11.363 1.00 14.15 C ATOM 1677 CG ASN A 113 24.182 -16.112 10.973 1.00 15.53 C ATOM 1678 OD1 ASN A 113 23.217 -15.555 11.506 1.00 17.02 O ATOM 1679 ND2 ASN A 113 24.041 -17.047 10.042 1.00 18.76 N ATOM 1680 HA ASN A 113 25.033 -14.009 12.406 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.092 -15.250 10.525 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.157 -16.684 11.576 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.881 -17.491 9.619 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.090 -17.336 9.735 1.00 0.00 H ATOM 1685 H ASN A 113 27.744 -15.118 13.184 1.00 0.00 H ATOM 1686 N PRO A 114 24.418 -14.986 14.699 1.00 13.92 N ATOM 1687 CA PRO A 114 23.721 -13.706 14.521 1.00 13.29 C ATOM 1688 C PRO A 114 24.648 -12.490 14.515 1.00 12.81 C ATOM 1689 O PRO A 114 25.741 -12.522 15.091 1.00 12.36 O ATOM 1690 CB PRO A 114 22.801 -13.636 15.744 1.00 13.59 C ATOM 1691 CG PRO A 114 23.499 -14.438 16.769 1.00 14.76 C ATOM 1692 CD PRO A 114 24.102 -15.587 16.005 1.00 13.92 C ATOM 1693 HA PRO A 114 23.215 -13.674 13.556 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.003 -15.955 16.496 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.389 -16.404 15.898 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.796 -14.801 17.519 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.276 -13.849 17.256 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.678 -12.605 16.077 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.824 -14.063 15.518 1.00 0.00 H ATOM 1700 N TYR A 115 24.201 -11.428 13.857 1.00 12.13 N ATOM 1701 CA TYR A 115 25.004 -10.202 13.733 1.00 11.51 C ATOM 1702 C TYR A 115 24.837 -9.378 14.989 1.00 11.90 C ATOM 1703 O TYR A 115 23.757 -8.841 15.245 1.00 12.78 O ATOM 1704 CB TYR A 115 24.522 -9.413 12.533 1.00 12.30 C ATOM 1705 CG TYR A 115 25.513 -8.441 11.940 1.00 11.01 C ATOM 1706 CD1 TYR A 115 26.783 -8.859 11.529 1.00 11.18 C ATOM 1707 CD2 TYR A 115 25.159 -7.101 11.733 1.00 12.36 C ATOM 1708 CE1 TYR A 115 27.684 -7.951 10.939 1.00 11.47 C ATOM 1709 CE2 TYR A 115 26.045 -6.201 11.145 1.00 10.93 C ATOM 1710 CZ TYR A 115 27.302 -6.632 10.748 1.00 12.91 C ATOM 1711 OH TYR A 115 28.177 -5.734 10.154 1.00 12.37 O ATOM 1712 HA TYR A 115 26.056 -10.453 13.600 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.641 -8.848 12.837 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.245 -10.124 11.755 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.171 -6.756 12.038 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.751 -5.162 10.997 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.676 -8.284 10.634 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.079 -9.899 11.667 1.00 0.00 H ATOM 1719 HH TYR A 115 27.769 -5.376 9.326 1.00 0.00 H ATOM 1720 H TYR A 115 23.259 -11.463 13.418 1.00 0.00 H ATOM 1721 N VAL A 116 25.894 -9.300 15.785 1.00 11.24 N ATOM 1722 CA VAL A 116 25.777 -8.768 17.140 1.00 11.53 C ATOM 1723 C VAL A 116 26.968 -7.854 17.463 1.00 11.86 C ATOM 1724 O VAL A 116 28.015 -7.957 16.821 1.00 12.55 O ATOM 1725 CB VAL A 116 25.706 -9.906 18.205 1.00 11.58 C ATOM 1726 CG1 VAL A 116 24.370 -10.681 18.118 1.00 11.04 C ATOM 1727 CG2 VAL A 116 26.892 -10.861 18.060 1.00 10.30 C ATOM 1728 HA VAL A 116 24.849 -8.197 17.180 1.00 0.00 H ATOM 1729 HB VAL A 116 25.756 -9.439 19.189 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.541 -9.994 18.290 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.274 -11.127 17.128 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.357 -11.466 18.875 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.877 -11.308 17.066 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.821 -10.308 18.198 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.820 -11.645 18.814 1.00 0.00 H ATOM 1736 H VAL A 116 26.820 -9.622 15.439 1.00 0.00 H ATOM 1737 N PRO A 117 26.811 -6.970 18.465 1.00 12.63 N ATOM 1738 CA PRO A 117 27.901 -6.060 18.818 1.00 12.49 C ATOM 1739 C PRO A 117 29.084 -6.800 19.410 1.00 12.27 C ATOM 1740 O PRO A 117 28.925 -7.638 20.317 1.00 12.04 O ATOM 1741 CB PRO A 117 27.263 -5.111 19.852 1.00 12.67 C ATOM 1742 CG PRO A 117 25.786 -5.300 19.702 1.00 13.53 C ATOM 1743 CD PRO A 117 25.626 -6.747 19.314 1.00 12.45 C ATOM 1744 HA PRO A 117 28.302 -5.536 17.950 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.638 -7.396 20.190 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.703 -6.908 18.757 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.391 -4.647 18.924 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.274 -5.094 20.642 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.582 -5.375 20.860 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.539 -4.077 19.644 1.00 0.00 H ATOM 1751 N VAL A 118 30.268 -6.482 18.899 1.00 12.18 N ATOM 1752 CA VAL A 118 31.494 -7.116 19.373 1.00 12.70 C ATOM 1753 C VAL A 118 32.564 -6.104 19.800 1.00 12.31 C ATOM 1754 O VAL A 118 33.578 -6.492 20.375 1.00 11.89 O ATOM 1755 CB VAL A 118 32.073 -8.123 18.339 1.00 12.58 C ATOM 1756 CG1 VAL A 118 31.101 -9.285 18.113 1.00 14.04 C ATOM 1757 CG2 VAL A 118 32.371 -7.438 16.986 1.00 13.14 C ATOM 1758 HA VAL A 118 31.206 -7.675 20.263 1.00 0.00 H ATOM 1759 HB VAL A 118 33.008 -8.504 18.750 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.933 -9.805 19.056 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.154 -8.897 17.736 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.527 -9.977 17.386 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.450 -7.019 16.582 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.099 -6.641 17.136 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.774 -8.173 16.289 1.00 0.00 H ATOM 1766 H VAL A 118 30.322 -5.767 18.146 1.00 0.00 H ATOM 1767 N HIS A 119 32.333 -4.822 19.528 1.00 11.70 N ATOM 1768 CA HIS A 119 33.341 -3.796 19.821 1.00 12.07 C ATOM 1769 C HIS A 119 32.657 -2.459 19.996 1.00 11.91 C ATOM 1770 O HIS A 119 31.745 -2.115 19.228 1.00 13.15 O ATOM 1771 CB HIS A 119 34.370 -3.766 18.687 1.00 12.66 C ATOM 1772 CG HIS A 119 35.152 -2.493 18.578 1.00 12.37 C ATOM 1773 ND1 HIS A 119 36.347 -2.302 19.238 1.00 13.61 N ATOM 1774 CD2 HIS A 119 34.943 -1.374 17.843 1.00 13.05 C ATOM 1775 CE1 HIS A 119 36.823 -1.104 18.940 1.00 12.72 C ATOM 1776 NE2 HIS A 119 35.995 -0.529 18.086 1.00 12.18 N ATOM 1777 HA HIS A 119 33.866 -4.026 20.748 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.073 -4.583 18.846 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.842 -3.921 17.746 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.097 -1.182 17.183 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.741 -0.666 19.332 1.00 0.00 H ATOM 1782 H HIS A 119 31.426 -4.543 19.102 1.00 0.00 H ATOM 1783 N PHE A 120 33.088 -1.716 21.006 1.00 10.94 N ATOM 1784 CA PHE A 120 32.592 -0.366 21.214 1.00 10.66 C ATOM 1785 C PHE A 120 33.551 0.619 20.561 1.00 10.93 C ATOM 1786 O PHE A 120 34.713 0.718 20.970 1.00 11.20 O ATOM 1787 CB PHE A 120 32.482 -0.070 22.711 1.00 11.03 C ATOM 1788 CG PHE A 120 31.702 1.159 23.004 1.00 10.39 C ATOM 1789 CD1 PHE A 120 32.326 2.409 23.030 1.00 10.20 C ATOM 1790 CD2 PHE A 120 30.334 1.076 23.223 1.00 11.64 C ATOM 1791 CE1 PHE A 120 31.590 3.560 23.283 1.00 10.43 C ATOM 1792 CE2 PHE A 120 29.593 2.225 23.485 1.00 11.88 C ATOM 1793 CZ PHE A 120 30.227 3.463 23.516 1.00 10.49 C ATOM 1794 HA PHE A 120 31.603 -0.269 20.767 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.995 -0.915 23.198 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.487 0.051 23.116 1.00 0.00 H ATOM 1797 HD2 PHE A 120 29.837 0.106 23.190 1.00 0.00 H ATOM 1798 HE2 PHE A 120 28.520 2.155 23.665 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.648 4.363 23.725 1.00 0.00 H ATOM 1800 HE1 PHE A 120 32.081 4.533 23.298 1.00 0.00 H ATOM 1801 HD1 PHE A 120 33.399 2.482 22.850 1.00 0.00 H ATOM 1802 H PHE A 120 33.794 -2.107 21.662 1.00 0.00 H ATOM 1803 N ASP A 121 33.088 1.345 19.542 1.00 10.38 N ATOM 1804 CA ASP A 121 34.002 2.201 18.780 1.00 10.66 C ATOM 1805 C ASP A 121 34.058 3.621 19.317 1.00 11.16 C ATOM 1806 O ASP A 121 35.129 4.210 19.402 1.00 11.12 O ATOM 1807 CB ASP A 121 33.633 2.206 17.293 1.00 11.00 C ATOM 1808 CG ASP A 121 34.860 2.326 16.378 1.00 12.43 C ATOM 1809 OD1 ASP A 121 35.886 1.653 16.628 1.00 11.68 O ATOM 1810 OD2 ASP A 121 34.771 3.075 15.391 1.00 11.56 O ATOM 1811 HA ASP A 121 34.998 1.775 18.897 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.113 1.277 17.059 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.970 3.050 17.101 1.00 0.00 H ATOM 1814 H ASP A 121 32.080 1.304 19.289 1.00 0.00 H ATOM 1815 N ALA A 122 32.902 4.156 19.695 1.00 10.97 N ATOM 1816 CA ALA A 122 32.819 5.558 20.087 1.00 11.95 C ATOM 1817 C ALA A 122 31.464 5.905 20.664 1.00 12.54 C ATOM 1818 O ALA A 122 30.487 5.185 20.483 1.00 11.53 O ATOM 1819 CB ALA A 122 33.108 6.453 18.897 1.00 11.85 C ATOM 1820 HA ALA A 122 33.567 5.722 20.863 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.111 6.245 18.523 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.378 6.258 18.111 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.042 7.497 19.205 1.00 0.00 H ATOM 1824 H ALA A 122 32.045 3.567 19.711 1.00 0.00 H ATOM 1825 N SER A 123 31.440 7.022 21.375 1.00 13.57 N ATOM 1826 CA SER A 123 30.192 7.687 21.734 1.00 14.67 C ATOM 1827 C SER A 123 30.262 9.106 21.174 1.00 15.35 C ATOM 1828 O SER A 123 31.321 9.747 21.223 1.00 15.79 O ATOM 1829 CB SER A 123 29.979 7.682 23.240 1.00 15.33 C ATOM 1830 OG SER A 123 30.917 8.516 23.901 1.00 16.34 O ATOM 1831 HA SER A 123 29.338 7.159 21.310 1.00 0.00 H ATOM 1832 HB2 SER A 123 30.089 6.663 23.610 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.972 8.040 23.457 1.00 0.00 H ATOM 1834 HG SER A 123 30.819 9.445 23.573 1.00 0.00 H ATOM 1835 H SER A 123 32.340 7.439 21.688 1.00 0.00 H ATOM 1836 N VAL A 124 29.154 9.569 20.607 1.00 15.56 N ATOM 1837 CA VAL A 124 29.112 10.864 19.928 1.00 16.67 C ATOM 1838 C VAL A 124 27.870 11.669 20.285 1.00 16.52 C ATOM 1839 O VAL A 124 26.844 11.113 20.665 1.00 16.98 O ATOM 1840 CB VAL A 124 29.204 10.722 18.376 1.00 16.61 C ATOM 1841 CG1 VAL A 124 30.531 10.061 17.968 1.00 17.40 C ATOM 1842 CG2 VAL A 124 28.017 9.943 17.818 1.00 18.49 C ATOM 1843 HA VAL A 124 29.990 11.403 20.284 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.865 12.896 20.179 1.00 17.01 O ATOM 1845 HB VAL A 124 29.173 11.724 17.948 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.363 10.674 18.316 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.595 9.070 18.417 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.573 9.973 16.882 1.00 0.00 H ATOM 1849 HG21 VAL A 124 28.000 8.946 18.257 1.00 0.00 H ATOM 1850 HG22 VAL A 124 27.093 10.466 18.064 1.00 0.00 H ATOM 1851 HG23 VAL A 124 28.113 9.863 16.735 1.00 0.00 H ATOM 1852 H VAL A 124 28.289 8.993 20.647 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 35.909 -12.171 33.070 1.00 49.31 O HETATM 1855 O HOH 2 17.884 4.287 30.428 1.00 45.06 O HETATM 1856 O HOH 3 19.291 12.479 18.463 1.00 48.22 O HETATM 1857 O HOH 4 31.246 -7.586 10.283 1.00 13.18 O HETATM 1858 O HOH 5 33.269 5.072 14.242 1.00 14.73 O HETATM 1859 O HOH 6 32.336 7.143 11.095 1.00 14.91 O HETATM 1860 O HOH 7 27.181 -8.599 22.307 1.00 18.01 O HETATM 1861 O HOH 8 35.013 -3.070 22.769 1.00 19.70 O HETATM 1862 O HOH 9 34.016 -5.562 23.860 1.00 26.42 O HETATM 1863 O HOH 10 37.361 0.606 14.680 1.00 17.52 O HETATM 1864 O HOH 11 37.852 -6.863 5.952 1.00 19.19 O HETATM 1865 O HOH 12 20.306 5.334 8.215 1.00 18.98 O HETATM 1866 O HOH 13 16.761 0.158 26.756 1.00 22.37 O HETATM 1867 O HOH 14 40.635 1.964 26.701 1.00 25.78 O HETATM 1868 O HOH 15 34.696 5.788 39.785 1.00 28.50 O HETATM 1869 O HOH 16 17.301 -6.387 19.081 1.00 24.81 O HETATM 1870 O HOH 17 39.235 7.863 19.058 1.00 26.58 O HETATM 1871 O HOH 18 17.957 0.367 19.590 1.00 22.83 O HETATM 1872 O HOH 19 29.172 9.764 13.558 1.00 24.06 O HETATM 1873 O HOH 20 23.933 -5.634 31.672 1.00 27.00 O HETATM 1874 O HOH 21 34.722 10.004 32.838 1.00 26.40 O HETATM 1875 O HOH 22 25.309 -12.647 9.840 1.00 27.15 O HETATM 1876 O HOH 23 27.162 -14.090 16.737 1.00 25.67 O HETATM 1877 O HOH 24 18.775 3.854 18.768 1.00 29.66 O HETATM 1878 O HOH 25 22.939 12.257 31.655 1.00 42.07 O HETATM 1879 O HOH 26 30.260 1.952 6.716 1.00 30.78 O HETATM 1880 O HOH 27 25.088 -10.177 22.297 1.00 27.74 O HETATM 1881 O HOH 28 29.448 -11.822 29.233 1.00 28.18 O HETATM 1882 O HOH 29 22.720 8.881 14.922 1.00 30.10 O HETATM 1883 O HOH 30 39.626 5.697 24.315 1.00 30.42 O HETATM 1884 O HOH 31 18.710 1.275 9.580 1.00 31.56 O HETATM 1885 O HOH 32 51.819 0.177 38.516 1.00 33.11 O HETATM 1886 O HOH 33 38.730 -7.807 29.126 1.00 36.94 O HETATM 1887 O HOH 34 34.212 -8.092 22.383 1.00 32.59 O HETATM 1888 O HOH 35 35.801 -5.652 10.063 1.00 23.43 O HETATM 1889 O HOH 36 37.229 -4.433 20.874 1.00 36.44 O HETATM 1890 O HOH 37 24.283 -0.803 37.668 1.00 39.17 O HETATM 1891 O HOH 38 22.524 -5.157 9.841 1.00 27.71 O HETATM 1892 O HOH 39 29.674 -12.405 16.917 1.00 26.71 O HETATM 1893 O HOH 40 41.253 6.096 13.357 1.00 29.57 O HETATM 1894 O HOH 41 35.266 9.235 19.240 1.00 24.53 O HETATM 1895 O HOH 42 30.262 -3.998 6.505 1.00 23.56 O HETATM 1896 O HOH 43 28.666 -15.649 15.137 1.00 28.65 O HETATM 1897 O HOH 44 17.957 10.589 20.798 1.00 37.08 O HETATM 1898 O HOH 45 41.220 -3.178 14.018 1.00 35.56 O HETATM 1899 O HOH 46 34.157 7.813 22.374 1.00 25.31 O HETATM 1900 O HOH 47 33.763 9.579 16.969 1.00 27.52 O HETATM 1901 O HOH 48 21.436 -8.597 13.813 1.00 24.56 O HETATM 1902 O HOH 49 24.870 5.327 6.740 1.00 27.84 O HETATM 1903 O HOH 50 39.681 -1.340 16.005 1.00 29.31 O HETATM 1904 O HOH 51 25.326 8.450 43.758 1.00 30.51 O HETATM 1905 O HOH 52 30.614 -13.602 19.405 1.00 30.84 O HETATM 1906 O HOH 53 26.583 -14.492 19.345 1.00 32.05 O HETATM 1907 O HOH 54 48.539 1.988 35.889 1.00 34.57 O HETATM 1908 O HOH 55 34.730 6.595 24.811 1.00 29.59 O HETATM 1909 O HOH 56 32.706 9.299 46.258 1.00 35.72 O HETATM 1910 O HOH 57 21.990 -12.042 12.160 1.00 34.05 O HETATM 1911 O HOH 58 38.984 -0.209 39.612 1.00 35.53 O HETATM 1912 O HOH 59 17.850 6.557 27.163 1.00 43.73 O HETATM 1913 O HOH 60 26.555 -5.232 36.735 1.00 43.76 O HETATM 1914 O HOH 61 53.324 2.269 40.253 1.00 38.47 O HETATM 1915 O HOH 62 33.375 -11.167 16.486 1.00 33.57 O HETATM 1916 O HOH 63 33.786 -14.996 19.434 1.00 37.24 O HETATM 1917 O HOH 64 36.822 7.372 21.475 1.00 30.96 O HETATM 1918 O HOH 65 22.043 9.973 8.687 1.00 26.61 O HETATM 1919 O HOH 66 20.550 -5.983 14.927 1.00 29.05 O HETATM 1920 O HOH 67 37.954 -5.422 11.603 1.00 50.94 O HETATM 1921 O HOH 68 19.225 8.715 26.180 1.00 41.51 O HETATM 1922 O HOH 69 16.881 -2.543 30.397 1.00 38.13 O HETATM 1923 O HOH 70 21.621 -16.831 13.692 1.00 48.31 O HETATM 1924 O HOH 71 22.436 -7.613 17.155 1.00 30.57 O HETATM 1925 O HOH 72 41.601 3.984 25.202 1.00 35.62 O HETATM 1926 O HOH 73 31.893 3.536 5.399 1.00 27.44 O HETATM 1927 O HOH 74 25.117 -12.640 21.211 1.00 31.40 O HETATM 1928 O HOH 75 37.012 -0.220 22.303 1.00 25.46 O HETATM 1929 O HOH 76 24.773 13.901 27.988 1.00 38.95 O HETATM 1930 O HOH 77 41.594 -0.190 25.555 1.00 46.90 O HETATM 1931 O HOH 78 24.527 8.044 6.215 1.00 32.44 O HETATM 1932 O HOH 79 39.251 -10.182 31.268 1.00 41.65 O HETATM 1933 O HOH 80 40.507 7.170 15.792 1.00 31.98 O HETATM 1934 O HOH 81 23.574 8.791 41.597 1.00 49.41 O HETATM 1935 O HOH 82 33.169 -20.569 29.234 1.00 47.45 O HETATM 1936 O HOH 83 30.271 10.602 28.741 1.00 52.52 O HETATM 1937 O HOH 84 33.961 9.819 39.512 1.00 31.21 O HETATM 1938 O HOH 85 48.327 -9.917 34.019 1.00 46.80 O HETATM 1939 O HOH 86 27.005 14.429 22.307 1.00 32.16 O HETATM 1940 O HOH 87 31.563 -13.562 29.606 1.00 35.27 O HETATM 1941 O HOH 88 29.392 14.790 19.094 1.00 36.77 O HETATM 1942 O HOH 89 33.558 10.134 23.494 1.00 40.11 O HETATM 1943 O HOH 90 22.238 -0.733 8.750 1.00 28.54 O HETATM 1944 O HOH 91 18.665 -8.940 19.287 1.00 36.23 O HETATM 1945 O HOH 92 26.630 -13.202 25.544 1.00 52.58 O HETATM 1946 O HOH 93 23.777 -1.295 6.591 1.00 32.13 O HETATM 1947 O HOH 94 39.514 -6.541 37.479 1.00 36.61 O HETATM 1948 O HOH 95 23.062 -18.970 12.961 1.00 55.27 O HETATM 1949 O HOH 96 43.355 -2.143 12.228 1.00 40.46 O HETATM 1950 O HOH 97 27.838 -15.589 22.441 1.00 34.59 O HETATM 1951 O HOH 98 25.490 -0.296 4.661 1.00 35.58 O HETATM 1952 O HOH 99 41.500 -7.926 27.640 1.00 47.86 O HETATM 1953 O HOH 100 37.366 -5.597 45.390 1.00 43.45 O HETATM 1954 O HOH 101 35.419 10.797 46.983 1.00 47.91 O HETATM 1955 O HOH 102 23.740 13.475 22.841 1.00 39.16 O HETATM 1956 O HOH 103 32.718 -4.462 3.327 1.00 32.95 O HETATM 1957 O HOH 104 25.788 -14.235 23.361 1.00 34.84 O HETATM 1958 O HOH 105 21.770 12.590 10.013 1.00 38.60 O HETATM 1959 O HOH 106 39.499 -1.143 21.129 1.00 37.23 O HETATM 1960 O HOH 107 31.006 2.009 3.371 1.00 47.93 O HETATM 1961 O HOH 108 19.280 13.172 10.992 1.00 47.34 O HETATM 1962 O HOH 109 37.697 7.854 41.643 1.00 38.66 O HETATM 1963 O HOH 110 36.482 -1.102 24.748 1.00 39.92 O HETATM 1964 O HOH 111 18.191 0.288 33.545 1.00 46.84 O HETATM 1965 O HOH 112 29.323 -6.063 37.613 1.00 39.46 O HETATM 1966 O HOH 113 17.798 2.315 23.629 1.00 35.02 O HETATM 1967 O HOH 114 40.366 -5.698 29.603 1.00 47.45 O HETATM 1968 O HOH 115 20.644 -9.661 17.552 1.00 40.79 O HETATM 1969 O HOH 116 40.194 -4.260 5.286 1.00 39.33 O HETATM 1970 O HOH 117 27.891 3.934 5.381 1.00 47.77 O HETATM 1971 O HOH 118 30.982 -15.993 28.503 1.00 37.56 O HETATM 1972 O HOH 119 38.174 0.979 43.851 1.00 48.30 O HETATM 1973 O HOH 120 16.456 -4.381 14.999 1.00 35.12 O HETATM 1974 O HOH 121 32.267 7.161 26.540 1.00 33.24 O HETATM 1975 O HOH 122 22.347 -13.384 20.358 1.00 36.60 O HETATM 1976 O HOH 123 38.347 7.253 23.707 1.00 43.35 O HETATM 1977 O HOH 124 39.391 -6.716 13.483 1.00 32.53 O HETATM 1978 O HOH 125 35.728 -2.998 12.369 1.00 30.15 O HETATM 1979 O HOH 126 29.674 -0.281 3.561 1.00 51.18 O HETATM 1980 O2 NON A 127 38.535 1.097 18.145 1.00 -0.38 O HETATM 1981 C2 NON A 127 39.394 1.840 17.608 1.00 0.33 C HETATM 1982 N3 NON A 127 40.024 1.424 16.482 1.00 -0.19 N HETATM 1983 C4 NON A 127 40.967 2.199 15.886 1.00 0.18 C HETATM 1984 O4 NON A 127 41.537 1.796 14.838 1.00 -0.41 O HETATM 1985 C5 NON A 127 41.277 3.443 16.444 1.00 0.01 C HETATM 1986 C6 NON A 127 40.612 3.842 17.606 1.00 0.06 C HETATM 1987 N1 NON A 127 39.684 3.030 18.168 1.00 -0.16 N HETATM 1988 C1' NON A 127 38.976 3.422 19.396 1.00 0.21 C HETATM 1989 O4' NON A 127 39.137 4.812 19.701 1.00 -0.33 O HETATM 1990 C4' NON A 127 39.540 4.997 21.070 1.00 0.13 C HETATM 1991 C5' NON A 127 40.923 5.647 21.145 1.00 0.08 C HETATM 1992 O5' NON A 127 41.229 6.269 19.890 1.00 -0.39 O HETATM 1993 H8 NON A 127 40.577 6.933 19.700 1.00 0.21 H HETATM 1994 H6 NON A 127 41.678 4.878 21.366 1.00 0.06 H HETATM 1995 H7 NON A 127 40.928 6.406 21.941 1.00 0.06 H HETATM 1996 C3' NON A 127 39.561 3.625 21.754 1.00 0.04 C HETATM 1997 C2' NON A 127 39.454 2.624 20.617 1.00 0.16 C HETATM 1998 O2' NON A 127 40.746 2.039 20.384 1.00 -0.38 O HETATM 1999 H10 NON A 127 41.016 1.553 21.154 1.00 0.21 H HETATM 2000 H9 NON A 127 38.729 1.833 20.862 1.00 0.07 H HETATM 2001 N7 NON A 127 38.373 3.391 22.588 1.00 0.24 N HETATM 2002 C13 NON A 127 38.623 2.569 23.787 1.00 -0.03 C HETATM 2003 C12 NON A 127 37.302 2.113 24.406 1.00 0.00 C HETATM 2004 C10 NON A 127 36.345 3.291 24.491 1.00 0.02 C HETATM 2005 C9 NON A 127 35.973 3.853 23.118 1.00 0.00 C HETATM 2006 C8 NON A 127 37.089 3.916 22.088 1.00 -0.03 C HETATM 2007 H15 NON A 127 36.788 3.325 21.210 1.00 0.08 H HETATM 2008 H16 NON A 127 37.232 4.966 21.792 1.00 0.08 H HETATM 2009 H17 NON A 127 35.171 3.223 22.705 1.00 0.03 H HETATM 2010 H18 NON A 127 35.596 4.876 23.266 1.00 0.03 H HETATM 2011 C11 NON A 127 35.083 3.028 25.269 1.00 0.04 C HETATM 2012 O13 NON A 127 34.777 1.894 25.738 1.00 -0.57 O HETATM 2013 O12 NON A 127 34.403 4.054 25.422 1.00 -0.57 O HETATM 2014 H19 NON A 127 36.888 4.083 25.028 1.00 0.05 H HETATM 2015 H20 NON A 127 37.488 1.719 25.416 1.00 0.03 H HETATM 2016 H21 NON A 127 36.858 1.325 23.781 1.00 0.03 H HETATM 2017 H13 NON A 127 39.182 3.164 24.524 1.00 0.08 H HETATM 2018 H14 NON A 127 39.214 1.686 23.504 1.00 0.08 H HETATM 2019 H12 NON A 127 38.514 4.235 23.121 1.00 0.20 H HETATM 2020 H11 NON A 127 40.482 3.494 22.342 1.00 0.09 H HETATM 2021 H5 NON A 127 38.813 5.647 21.578 1.00 0.07 H HETATM 2022 H4 NON A 127 37.906 3.220 19.242 1.00 0.10 H HETATM 2023 H3 NON A 127 40.839 4.805 18.060 1.00 0.12 H HETATM 2024 H2 NON A 127 42.022 4.088 15.982 1.00 0.03 H HETATM 2025 H1 NON A 127 39.792 0.536 16.085 1.00 0.23 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1980 1981 CONECT 1981 1980 1982 1987 CONECT 1982 1981 1983 2025 CONECT 1983 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 1986 2024 CONECT 1986 1985 1987 2023 CONECT 1987 1981 1986 1988 CONECT 1988 1987 1989 1997 2022 CONECT 1989 1988 1990 CONECT 1990 1989 1991 1996 2021 CONECT 1991 1990 1992 1994 1995 CONECT 1992 1991 1993 CONECT 1993 1992 CONECT 1994 1991 CONECT 1995 1991 CONECT 1996 1990 1997 2001 2020 CONECT 1997 1988 1996 1998 2000 CONECT 1998 1997 1999 CONECT 1999 1998 CONECT 2000 1997 CONECT 2001 1996 2002 2006 2019 CONECT 2002 2001 2003 2017 2018 CONECT 2003 2002 2004 2015 2016 CONECT 2004 2003 2005 2011 2014 CONECT 2005 2004 2006 2009 2010 CONECT 2006 2001 2005 2007 2008 CONECT 2007 2006 CONECT 2008 2006 CONECT 2009 2005 CONECT 2010 2005 CONECT 2011 2004 2012 2013 CONECT 2012 2011 CONECT 2013 2011 CONECT 2014 2004 CONECT 2015 2003 CONECT 2016 2003 CONECT 2017 2002 CONECT 2018 2002 CONECT 2019 2001 CONECT 2020 1996 CONECT 2021 1990 CONECT 2022 1988 CONECT 2023 1986 CONECT 2024 1985 CONECT 2025 1982 MASTER 0 0 0 0 0 0 0 0 2024 1 58 10 END
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RCSB PDB
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124aa, >1O0F_1|Chains... at 99%
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RCSB PDB
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1o0m
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PDBbind
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1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
124aa, >1W4P_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
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PDBbind
124aa, >1Z6S_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
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RCSB PDB
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2xoi
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
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PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
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PDBbind
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3d8y
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PDBbind
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124aa, >3D8Z_1|Chains... at 99%
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3dxh
RCSB PDB
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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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PDBbind
124aa, >4G8Y_1|Chains... at 99%
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124aa, >4RSK_1|Chain... at 96%
4wyp
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125aa, >4WYZ_1|Chains... at 100%
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124aa, >6RSA_1|Chain... at 99%
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RCSB PDB
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124aa, >6PVX_1|Chains... at 99%
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124aa, >6PVW_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2g8r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease pancreatic
Ligand Name
N3E
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=103uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Bioorg.Med.Chem. v14 pp. 6055-64, 2006
Ligand Properties
Formula
C
1
5
H
2
2
N
3
O
7
Molecular Weight
356.351
Exact Mass
356.146
No. of atoms
47
No. of bonds
49
Polar Surface Area
146.29
LOGP Value
-3.19 (
Computed with XLOGP3
)
-1.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@H]([C@@H]1[N@@H+]1CC[C@@H](CC1)C(=O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/p+1/t9-,11-,12+,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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