Browse entries in the PDBbind-CN Database
HEADER 1B2I_COMPLEX COMPND 1B2I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 THR SER GLU GLU CYS MET HIS GLY SER GLY GLU ASN TYR SEQRES 2 A 83 ASP GLY LYS ILE SER LYS THR MET SER GLY LEU GLU CYS SEQRES 3 A 83 GLN ALA TRP ASP SER GLN SER PRO HIS ALA HIS GLY TYR SEQRES 4 A 83 ILE PRO SER LYS PHE PRO ASN LYS ASN LEU LYS LYS ASN SEQRES 5 A 83 TYR CYS ARG ASN PRO ASP ARG GLU LEU ARG PRO TRP CYS SEQRES 6 A 83 PHE THR THR ASP PRO ASN LYS ARG TRP GLU LEU CYS ASP SEQRES 7 A 83 ILE PRO ARG CYS THR HET AMH A 84 26 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 51 CYS A 75 SSBOND 3 CYS A 1 CYS A 80 ATOM 1 N THR A -4 -8.427 4.974 7.773 1.00 0.00 N ATOM 2 CA THR A -4 -8.533 6.228 8.489 1.00 0.00 C ATOM 3 C THR A -4 -8.802 7.369 7.480 1.00 0.00 C ATOM 4 O THR A -4 -8.240 8.454 7.582 1.00 0.00 O ATOM 5 CB THR A -4 -7.248 6.476 9.313 1.00 0.00 C ATOM 6 OG1 THR A -4 -7.284 7.736 9.948 1.00 0.00 O ATOM 7 CG2 THR A -4 -5.947 6.336 8.504 1.00 0.00 C ATOM 8 HA THR A -4 -9.367 6.191 9.190 1.00 0.00 H ATOM 9 HB THR A -4 -7.235 5.685 10.063 1.00 0.00 H ATOM 10 HG1 THR A -4 -7.363 8.447 9.264 1.00 0.00 H ATOM 11 HG23 THR A -4 -5.927 5.361 8.017 1.00 0.00 H ATOM 12 HG21 THR A -4 -5.903 7.121 7.750 1.00 0.00 H ATOM 13 HG22 THR A -4 -5.092 6.427 9.174 1.00 0.00 H ATOM 14 HN3 THR A -4 -7.643 5.030 7.092 1.00 0.00 H ATOM 15 HN2 THR A -4 -9.316 4.790 7.266 1.00 0.00 H ATOM 16 HN1 THR A -4 -8.246 4.205 8.449 1.00 0.00 H ATOM 17 N SER A -3 -9.681 7.050 6.516 1.00 0.00 N ATOM 18 CA SER A -3 -10.077 7.977 5.466 1.00 0.00 C ATOM 19 C SER A -3 -11.320 7.385 4.785 1.00 0.00 C ATOM 20 O SER A -3 -12.423 7.911 4.866 1.00 0.00 O ATOM 21 CB SER A -3 -8.906 8.197 4.495 1.00 0.00 C ATOM 22 OG SER A -3 -8.326 6.956 4.094 1.00 0.00 O ATOM 23 HA SER A -3 -10.328 8.961 5.862 1.00 0.00 H ATOM 24 HB2 SER A -3 -8.145 8.803 4.987 1.00 0.00 H ATOM 25 HB3 SER A -3 -9.270 8.721 3.611 1.00 0.00 H ATOM 26 HG SER A -3 -7.577 7.129 3.471 1.00 0.00 H ATOM 27 H SER A -3 -10.098 6.097 6.520 1.00 0.00 H ATOM 28 N GLU A -2 -11.052 6.229 4.162 1.00 0.00 N ATOM 29 CA GLU A -2 -12.065 5.408 3.515 1.00 0.00 C ATOM 30 C GLU A -2 -11.643 3.954 3.790 1.00 0.00 C ATOM 31 O GLU A -2 -10.529 3.557 3.472 1.00 0.00 O ATOM 32 CB GLU A -2 -12.183 5.772 2.018 1.00 0.00 C ATOM 33 CG GLU A -2 -10.844 5.765 1.257 1.00 0.00 C ATOM 34 CD GLU A -2 -10.940 6.320 -0.176 1.00 0.00 C ATOM 35 OE1 GLU A -2 -11.483 7.412 -0.345 1.00 0.00 O ATOM 36 OE2 GLU A -2 -10.444 5.679 -1.107 1.00 0.00 O ATOM 37 HA GLU A -2 -13.070 5.571 3.904 1.00 0.00 H ATOM 38 HB2 GLU A -2 -12.850 5.053 1.543 1.00 0.00 H ATOM 39 HB3 GLU A -2 -12.614 6.770 1.942 1.00 0.00 H ATOM 40 HG2 GLU A -2 -10.129 6.371 1.813 1.00 0.00 H ATOM 41 HG3 GLU A -2 -10.484 4.738 1.204 1.00 0.00 H ATOM 42 H GLU A -2 -10.066 5.900 4.140 1.00 0.00 H ATOM 43 N GLU A -1 -12.560 3.203 4.442 1.00 0.00 N ATOM 44 CA GLU A -1 -12.227 1.836 4.862 1.00 0.00 C ATOM 45 C GLU A -1 -12.754 0.764 3.881 1.00 0.00 C ATOM 46 O GLU A -1 -12.211 -0.331 3.820 1.00 0.00 O ATOM 47 CB GLU A -1 -12.700 1.579 6.306 1.00 0.00 C ATOM 48 CG GLU A -1 -12.523 2.768 7.278 1.00 0.00 C ATOM 49 CD GLU A -1 -11.107 3.372 7.300 1.00 0.00 C ATOM 50 OE1 GLU A -1 -10.178 2.772 7.830 1.00 0.00 O ATOM 51 OE2 GLU A -1 -10.920 4.476 6.803 1.00 0.00 O ATOM 52 HA GLU A -1 -11.141 1.748 4.842 1.00 0.00 H ATOM 53 HB2 GLU A -1 -13.759 1.324 6.274 1.00 0.00 H ATOM 54 HB3 GLU A -1 -12.136 0.734 6.700 1.00 0.00 H ATOM 55 HG2 GLU A -1 -13.223 3.552 6.988 1.00 0.00 H ATOM 56 HG3 GLU A -1 -12.762 2.424 8.284 1.00 0.00 H ATOM 57 H GLU A -1 -13.502 3.594 4.646 1.00 0.00 H ATOM 58 N CYS A 1 -13.800 1.128 3.104 1.00 0.00 N ATOM 59 CA CYS A 1 -14.319 0.268 2.035 1.00 0.00 C ATOM 60 C CYS A 1 -14.287 1.161 0.802 1.00 0.00 C ATOM 61 O CYS A 1 -14.473 2.368 0.920 1.00 0.00 O ATOM 62 CB CYS A 1 -15.733 -0.273 2.291 1.00 0.00 C ATOM 63 SG CYS A 1 -17.098 0.907 2.067 1.00 0.00 S ATOM 64 HA CYS A 1 -13.717 -0.636 1.940 1.00 0.00 H ATOM 65 HB2 CYS A 1 -15.770 -0.633 3.319 1.00 0.00 H ATOM 66 HB3 CYS A 1 -15.899 -1.107 1.609 1.00 0.00 H ATOM 67 HG CYS A 1 -16.132 1.693 2.662 1.00 0.00 H ATOM 68 H CYS A 1 -14.252 2.050 3.270 1.00 0.00 H ATOM 69 N MET A 2 -13.969 0.540 -0.350 1.00 0.00 N ATOM 70 CA MET A 2 -13.780 1.320 -1.568 1.00 0.00 C ATOM 71 C MET A 2 -14.630 0.752 -2.700 1.00 0.00 C ATOM 72 O MET A 2 -15.083 -0.386 -2.702 1.00 0.00 O ATOM 73 CB MET A 2 -12.296 1.295 -1.994 1.00 0.00 C ATOM 74 CG MET A 2 -11.413 2.334 -1.284 1.00 0.00 C ATOM 75 SD MET A 2 -11.660 2.446 0.493 1.00 0.00 S ATOM 76 CE MET A 2 -11.062 0.816 0.938 1.00 0.00 C ATOM 77 HA MET A 2 -14.085 2.347 -1.365 1.00 0.00 H ATOM 78 HB2 MET A 2 -11.896 0.304 -1.779 1.00 0.00 H ATOM 79 HB3 MET A 2 -12.246 1.481 -3.067 1.00 0.00 H ATOM 80 HG2 MET A 2 -11.623 3.311 -1.718 1.00 0.00 H ATOM 81 HG3 MET A 2 -10.370 2.074 -1.466 1.00 0.00 H ATOM 82 HE1 MET A 2 -11.668 0.059 0.439 1.00 0.00 H ATOM 83 HE2 MET A 2 -10.022 0.714 0.627 1.00 0.00 H ATOM 84 HE3 MET A 2 -11.133 0.686 2.018 1.00 0.00 H ATOM 85 H MET A 2 -13.858 -0.494 -0.371 1.00 0.00 H ATOM 86 N HIS A 3 -14.763 1.656 -3.689 1.00 0.00 N ATOM 87 CA HIS A 3 -15.465 1.351 -4.926 1.00 0.00 C ATOM 88 C HIS A 3 -14.640 0.394 -5.810 1.00 0.00 C ATOM 89 O HIS A 3 -15.183 -0.259 -6.696 1.00 0.00 O ATOM 90 CB HIS A 3 -15.783 2.653 -5.673 1.00 0.00 C ATOM 91 CG HIS A 3 -16.748 3.521 -4.888 1.00 0.00 C ATOM 92 ND1 HIS A 3 -17.202 3.255 -3.640 1.00 0.00 N ATOM 93 CD2 HIS A 3 -17.330 4.728 -5.311 1.00 0.00 C ATOM 94 CE1 HIS A 3 -18.028 4.265 -3.320 1.00 0.00 C ATOM 95 NE2 HIS A 3 -18.125 5.168 -4.310 1.00 0.00 N ATOM 96 HA HIS A 3 -16.400 0.846 -4.684 1.00 0.00 H ATOM 97 HB2 HIS A 3 -14.857 3.206 -5.832 1.00 0.00 H ATOM 98 HB3 HIS A 3 -16.229 2.409 -6.637 1.00 0.00 H ATOM 99 HD2 HIS A 3 -17.170 5.220 -6.271 1.00 0.00 H ATOM 100 HE1 HIS A 3 -18.557 4.343 -2.370 1.00 0.00 H ATOM 101 H HIS A 3 -14.351 2.603 -3.565 1.00 0.00 H ATOM 102 N GLY A 4 -13.319 0.312 -5.521 1.00 0.00 N ATOM 103 CA GLY A 4 -12.507 -0.632 -6.284 1.00 0.00 C ATOM 104 C GLY A 4 -10.987 -0.490 -6.067 1.00 0.00 C ATOM 105 O GLY A 4 -10.347 -1.373 -5.498 1.00 0.00 O ATOM 106 HA3 GLY A 4 -12.715 -0.482 -7.343 1.00 0.00 H ATOM 107 HA2 GLY A 4 -12.799 -1.642 -5.997 1.00 0.00 H ATOM 108 H GLY A 4 -12.896 0.904 -4.778 1.00 0.00 H ATOM 109 N SER A 5 -10.448 0.632 -6.594 1.00 0.00 N ATOM 110 CA SER A 5 -9.002 0.824 -6.685 1.00 0.00 C ATOM 111 C SER A 5 -8.359 1.608 -5.527 1.00 0.00 C ATOM 112 O SER A 5 -7.141 1.681 -5.438 1.00 0.00 O ATOM 113 CB SER A 5 -8.778 1.577 -7.999 1.00 0.00 C ATOM 114 OG SER A 5 -9.738 2.629 -8.061 1.00 0.00 O ATOM 115 HA SER A 5 -8.524 -0.154 -6.636 1.00 0.00 H ATOM 116 HB2 SER A 5 -8.912 0.901 -8.843 1.00 0.00 H ATOM 117 HB3 SER A 5 -7.770 1.991 -8.023 1.00 0.00 H ATOM 118 HG SER A 5 -9.617 3.135 -8.903 1.00 0.00 H ATOM 119 H SER A 5 -11.080 1.380 -6.945 1.00 0.00 H ATOM 120 N GLY A 6 -9.203 2.170 -4.643 1.00 0.00 N ATOM 121 CA GLY A 6 -8.673 2.869 -3.470 1.00 0.00 C ATOM 122 C GLY A 6 -7.586 3.915 -3.780 1.00 0.00 C ATOM 123 O GLY A 6 -6.465 3.868 -3.285 1.00 0.00 O ATOM 124 HA3 GLY A 6 -8.247 2.126 -2.796 1.00 0.00 H ATOM 125 HA2 GLY A 6 -9.501 3.376 -2.974 1.00 0.00 H ATOM 126 H GLY A 6 -10.230 2.108 -4.792 1.00 0.00 H ATOM 127 N GLU A 7 -8.010 4.884 -4.611 1.00 0.00 N ATOM 128 CA GLU A 7 -7.106 5.972 -4.977 1.00 0.00 C ATOM 129 C GLU A 7 -6.636 6.713 -3.710 1.00 0.00 C ATOM 130 O GLU A 7 -5.452 6.790 -3.399 1.00 0.00 O ATOM 131 CB GLU A 7 -7.823 6.898 -5.980 1.00 0.00 C ATOM 132 CG GLU A 7 -7.019 8.141 -6.412 1.00 0.00 C ATOM 133 CD GLU A 7 -7.019 9.232 -5.326 1.00 0.00 C ATOM 134 OE1 GLU A 7 -8.092 9.743 -5.011 1.00 0.00 O ATOM 135 OE2 GLU A 7 -5.956 9.536 -4.788 1.00 0.00 O ATOM 136 HA GLU A 7 -6.210 5.585 -5.463 1.00 0.00 H ATOM 137 HB2 GLU A 7 -8.052 6.316 -6.873 1.00 0.00 H ATOM 138 HB3 GLU A 7 -8.751 7.238 -5.522 1.00 0.00 H ATOM 139 HG2 GLU A 7 -5.990 7.843 -6.612 1.00 0.00 H ATOM 140 HG3 GLU A 7 -7.461 8.549 -7.321 1.00 0.00 H ATOM 141 H GLU A 7 -8.978 4.859 -4.992 1.00 0.00 H ATOM 142 N ASN A 8 -7.648 7.213 -2.982 1.00 0.00 N ATOM 143 CA ASN A 8 -7.394 8.018 -1.792 1.00 0.00 C ATOM 144 C ASN A 8 -7.129 7.152 -0.547 1.00 0.00 C ATOM 145 O ASN A 8 -6.479 7.603 0.388 1.00 0.00 O ATOM 146 CB ASN A 8 -8.629 8.908 -1.577 1.00 0.00 C ATOM 147 CG ASN A 8 -8.579 9.660 -0.237 1.00 0.00 C ATOM 148 OD1 ASN A 8 -7.572 10.261 0.121 1.00 0.00 O ATOM 149 ND2 ASN A 8 -9.695 9.565 0.496 1.00 0.00 N ATOM 150 HA ASN A 8 -6.495 8.616 -1.940 1.00 0.00 H ATOM 151 HB2 ASN A 8 -8.682 9.636 -2.386 1.00 0.00 H ATOM 152 HB3 ASN A 8 -9.521 8.281 -1.595 1.00 0.00 H ATOM 153 HD22 ASN A 8 -10.514 9.039 0.130 1.00 0.00 H ATOM 154 HD21 ASN A 8 -9.743 10.018 1.431 1.00 0.00 H ATOM 155 H ASN A 8 -8.629 7.023 -3.271 1.00 0.00 H ATOM 156 N TYR A 9 -7.642 5.912 -0.616 1.00 0.00 N ATOM 157 CA TYR A 9 -7.595 4.912 0.444 1.00 0.00 C ATOM 158 C TYR A 9 -6.318 4.883 1.295 1.00 0.00 C ATOM 159 O TYR A 9 -5.247 4.536 0.825 1.00 0.00 O ATOM 160 CB TYR A 9 -7.787 3.517 -0.192 1.00 0.00 C ATOM 161 CG TYR A 9 -7.486 2.390 0.759 1.00 0.00 C ATOM 162 CD1 TYR A 9 -8.394 2.058 1.742 1.00 0.00 C ATOM 163 CD2 TYR A 9 -6.283 1.699 0.703 1.00 0.00 C ATOM 164 CE1 TYR A 9 -8.111 1.074 2.673 1.00 0.00 C ATOM 165 CE2 TYR A 9 -5.967 0.751 1.667 1.00 0.00 C ATOM 166 CZ TYR A 9 -6.875 0.451 2.676 1.00 0.00 C ATOM 167 OH TYR A 9 -6.575 -0.417 3.708 1.00 0.00 O ATOM 168 HA TYR A 9 -8.392 5.190 1.133 1.00 0.00 H ATOM 169 HB3 TYR A 9 -7.123 3.433 -1.052 1.00 0.00 H ATOM 170 HB2 TYR A 9 -8.821 3.425 -0.523 1.00 0.00 H ATOM 171 HD2 TYR A 9 -5.580 1.903 -0.105 1.00 0.00 H ATOM 172 HE2 TYR A 9 -5.004 0.241 1.633 1.00 0.00 H ATOM 173 HE1 TYR A 9 -8.865 0.788 3.407 1.00 0.00 H ATOM 174 HD1 TYR A 9 -9.350 2.579 1.787 1.00 0.00 H ATOM 175 HH TYR A 9 -6.360 -1.309 3.336 1.00 0.00 H ATOM 176 H TYR A 9 -8.114 5.642 -1.503 1.00 0.00 H ATOM 177 N ASP A 10 -6.572 5.142 2.589 1.00 0.00 N ATOM 178 CA ASP A 10 -5.619 4.915 3.666 1.00 0.00 C ATOM 179 C ASP A 10 -6.500 4.451 4.836 1.00 0.00 C ATOM 180 O ASP A 10 -6.739 5.160 5.807 1.00 0.00 O ATOM 181 CB ASP A 10 -4.686 6.094 4.036 1.00 0.00 C ATOM 182 CG ASP A 10 -4.852 7.376 3.226 1.00 0.00 C ATOM 183 OD1 ASP A 10 -5.893 8.015 3.315 1.00 0.00 O ATOM 184 OD2 ASP A 10 -3.924 7.779 2.526 1.00 0.00 O ATOM 185 HA ASP A 10 -4.874 4.182 3.355 1.00 0.00 H ATOM 186 HB2 ASP A 10 -4.862 6.339 5.083 1.00 0.00 H ATOM 187 HB3 ASP A 10 -3.658 5.754 3.911 1.00 0.00 H ATOM 188 H ASP A 10 -7.506 5.528 2.836 1.00 0.00 H ATOM 189 N GLY A 11 -7.025 3.229 4.648 1.00 0.00 N ATOM 190 CA GLY A 11 -7.958 2.680 5.618 1.00 0.00 C ATOM 191 C GLY A 11 -7.222 2.150 6.848 1.00 0.00 C ATOM 192 O GLY A 11 -6.893 2.892 7.769 1.00 0.00 O ATOM 193 HA3 GLY A 11 -8.514 1.864 5.156 1.00 0.00 H ATOM 194 HA2 GLY A 11 -8.652 3.462 5.927 1.00 0.00 H ATOM 195 H GLY A 11 -6.764 2.675 3.807 1.00 0.00 H ATOM 196 N LYS A 12 -7.007 0.822 6.776 1.00 0.00 N ATOM 197 CA LYS A 12 -6.333 0.064 7.832 1.00 0.00 C ATOM 198 C LYS A 12 -5.802 -1.296 7.315 1.00 0.00 C ATOM 199 O LYS A 12 -5.063 -1.978 8.015 1.00 0.00 O ATOM 200 CB LYS A 12 -7.267 -0.243 9.026 1.00 0.00 C ATOM 201 CG LYS A 12 -7.661 0.955 9.908 1.00 0.00 C ATOM 202 CD LYS A 12 -6.479 1.706 10.554 1.00 0.00 C ATOM 203 CE LYS A 12 -5.541 0.827 11.390 1.00 0.00 C ATOM 204 NZ LYS A 12 -6.240 0.021 12.387 1.00 0.00 N ATOM 205 HA LYS A 12 -5.510 0.702 8.155 1.00 0.00 H ATOM 206 HB2 LYS A 12 -8.183 -0.678 8.628 1.00 0.00 H ATOM 207 HB3 LYS A 12 -6.766 -0.973 9.661 1.00 0.00 H ATOM 208 HG2 LYS A 12 -8.214 1.662 9.290 1.00 0.00 H ATOM 209 HG3 LYS A 12 -8.307 0.589 10.707 1.00 0.00 H ATOM 210 HD2 LYS A 12 -5.894 2.167 9.758 1.00 0.00 H ATOM 211 HD3 LYS A 12 -6.884 2.483 11.202 1.00 0.00 H ATOM 212 HE2 LYS A 12 -4.829 1.472 11.904 1.00 0.00 H ATOM 213 HE3 LYS A 12 -5.004 0.157 10.718 1.00 0.00 H ATOM 214 HZ1 LYS A 12 -6.750 0.648 13.042 1.00 0.00 H ATOM 215 HZ2 LYS A 12 -6.917 -0.608 11.910 1.00 0.00 H ATOM 216 HZ3 LYS A 12 -5.550 -0.549 12.917 1.00 0.00 H ATOM 217 H LYS A 12 -7.335 0.312 5.931 1.00 0.00 H ATOM 218 N ILE A 13 -6.226 -1.684 6.096 1.00 0.00 N ATOM 219 CA ILE A 13 -5.825 -2.970 5.540 1.00 0.00 C ATOM 220 C ILE A 13 -4.480 -2.777 4.823 1.00 0.00 C ATOM 221 O ILE A 13 -4.272 -1.792 4.116 1.00 0.00 O ATOM 222 CB ILE A 13 -6.893 -3.508 4.560 1.00 0.00 C ATOM 223 CG1 ILE A 13 -8.343 -3.396 5.092 1.00 0.00 C ATOM 224 CG2 ILE A 13 -6.586 -4.960 4.147 1.00 0.00 C ATOM 225 CD1 ILE A 13 -9.094 -2.132 4.637 1.00 0.00 C ATOM 226 HA ILE A 13 -5.724 -3.704 6.340 1.00 0.00 H ATOM 227 HB ILE A 13 -6.836 -2.863 3.683 1.00 0.00 H ATOM 228 HG12 ILE A 13 -8.901 -4.267 4.747 1.00 0.00 H ATOM 229 HG13 ILE A 13 -8.307 -3.398 6.181 1.00 0.00 H ATOM 230 HD11 ILE A 13 -8.559 -1.248 4.985 1.00 0.00 H ATOM 231 HD12 ILE A 13 -9.153 -2.118 3.549 1.00 0.00 H ATOM 232 HD13 ILE A 13 -10.100 -2.138 5.057 1.00 0.00 H ATOM 233 HG21 ILE A 13 -5.612 -4.999 3.658 1.00 0.00 H ATOM 234 HG22 ILE A 13 -6.575 -5.594 5.034 1.00 0.00 H ATOM 235 HG23 ILE A 13 -7.354 -5.311 3.458 1.00 0.00 H ATOM 236 H ILE A 13 -6.847 -1.058 5.545 1.00 0.00 H ATOM 237 N SER A 14 -3.598 -3.768 5.065 1.00 0.00 N ATOM 238 CA SER A 14 -2.270 -3.765 4.464 1.00 0.00 C ATOM 239 C SER A 14 -1.792 -5.206 4.189 1.00 0.00 C ATOM 240 O SER A 14 -0.681 -5.591 4.527 1.00 0.00 O ATOM 241 CB SER A 14 -1.316 -3.032 5.417 1.00 0.00 C ATOM 242 OG SER A 14 -0.096 -2.708 4.795 1.00 0.00 O ATOM 243 HA SER A 14 -2.293 -3.250 3.504 1.00 0.00 H ATOM 244 HB2 SER A 14 -1.114 -3.673 6.275 1.00 0.00 H ATOM 245 HB3 SER A 14 -1.794 -2.113 5.756 1.00 0.00 H ATOM 246 HG SER A 14 -0.269 -2.120 4.017 1.00 0.00 H ATOM 247 H SER A 14 -3.871 -4.550 5.693 1.00 0.00 H ATOM 248 N LYS A 15 -2.708 -6.005 3.607 1.00 0.00 N ATOM 249 CA LYS A 15 -2.400 -7.408 3.335 1.00 0.00 C ATOM 250 C LYS A 15 -2.451 -7.634 1.817 1.00 0.00 C ATOM 251 O LYS A 15 -3.464 -7.397 1.163 1.00 0.00 O ATOM 252 CB LYS A 15 -3.407 -8.316 4.068 1.00 0.00 C ATOM 253 CG LYS A 15 -2.983 -8.677 5.504 1.00 0.00 C ATOM 254 CD LYS A 15 -3.036 -7.509 6.498 1.00 0.00 C ATOM 255 CE LYS A 15 -2.558 -7.915 7.895 1.00 0.00 C ATOM 256 NZ LYS A 15 -2.289 -6.759 8.743 1.00 0.00 N ATOM 257 HA LYS A 15 -1.403 -7.656 3.698 1.00 0.00 H ATOM 258 HB2 LYS A 15 -4.367 -7.801 4.111 1.00 0.00 H ATOM 259 HB3 LYS A 15 -3.516 -9.239 3.499 1.00 0.00 H ATOM 260 HG2 LYS A 15 -3.645 -9.463 5.867 1.00 0.00 H ATOM 261 HG3 LYS A 15 -1.960 -9.051 5.473 1.00 0.00 H ATOM 262 HD2 LYS A 15 -2.400 -6.705 6.129 1.00 0.00 H ATOM 263 HD3 LYS A 15 -4.064 -7.154 6.568 1.00 0.00 H ATOM 264 HE2 LYS A 15 -1.643 -8.499 7.797 1.00 0.00 H ATOM 265 HE3 LYS A 15 -3.329 -8.525 8.367 1.00 0.00 H ATOM 266 HZ1 LYS A 15 -1.549 -6.174 8.305 1.00 0.00 H ATOM 267 HZ2 LYS A 15 -3.159 -6.198 8.849 1.00 0.00 H ATOM 268 HZ3 LYS A 15 -1.968 -7.083 9.678 1.00 0.00 H ATOM 269 H LYS A 15 -3.640 -5.621 3.350 1.00 0.00 H ATOM 270 N THR A 16 -1.296 -8.108 1.308 1.00 0.00 N ATOM 271 CA THR A 16 -1.167 -8.390 -0.108 1.00 0.00 C ATOM 272 C THR A 16 -1.994 -9.647 -0.429 1.00 0.00 C ATOM 273 O THR A 16 -1.900 -10.679 0.227 1.00 0.00 O ATOM 274 CB THR A 16 0.301 -8.411 -0.561 1.00 0.00 C ATOM 275 OG1 THR A 16 1.012 -9.594 -0.219 1.00 0.00 O ATOM 276 CG2 THR A 16 1.086 -7.225 0.008 1.00 0.00 C ATOM 277 HA THR A 16 -1.585 -7.582 -0.709 1.00 0.00 H ATOM 278 HB THR A 16 0.233 -8.358 -1.648 1.00 0.00 H ATOM 279 HG1 THR A 16 0.572 -10.375 -0.638 1.00 0.00 H ATOM 280 HG23 THR A 16 0.568 -6.297 -0.236 1.00 0.00 H ATOM 281 HG21 THR A 16 1.161 -7.327 1.091 1.00 0.00 H ATOM 282 HG22 THR A 16 2.085 -7.210 -0.427 1.00 0.00 H ATOM 283 H THR A 16 -0.487 -8.274 1.940 1.00 0.00 H ATOM 284 N MET A 17 -2.849 -9.442 -1.448 1.00 0.00 N ATOM 285 CA MET A 17 -3.876 -10.360 -1.917 1.00 0.00 C ATOM 286 C MET A 17 -3.394 -11.814 -2.077 1.00 0.00 C ATOM 287 O MET A 17 -4.166 -12.753 -1.936 1.00 0.00 O ATOM 288 CB MET A 17 -4.470 -9.783 -3.226 1.00 0.00 C ATOM 289 CG MET A 17 -3.640 -10.018 -4.497 1.00 0.00 C ATOM 290 SD MET A 17 -4.486 -9.365 -5.951 1.00 0.00 S ATOM 291 CE MET A 17 -5.572 -10.760 -6.297 1.00 0.00 C ATOM 292 HA MET A 17 -4.650 -10.432 -1.153 1.00 0.00 H ATOM 293 HB2 MET A 17 -5.450 -10.236 -3.377 1.00 0.00 H ATOM 294 HB3 MET A 17 -4.585 -8.707 -3.096 1.00 0.00 H ATOM 295 HG2 MET A 17 -3.482 -11.089 -4.627 1.00 0.00 H ATOM 296 HG3 MET A 17 -2.676 -9.520 -4.391 1.00 0.00 H ATOM 297 HE1 MET A 17 -4.970 -11.649 -6.487 1.00 0.00 H ATOM 298 HE2 MET A 17 -6.221 -10.935 -5.439 1.00 0.00 H ATOM 299 HE3 MET A 17 -6.180 -10.537 -7.174 1.00 0.00 H ATOM 300 H MET A 17 -2.767 -8.536 -1.951 1.00 0.00 H ATOM 301 N SER A 18 -2.094 -11.942 -2.392 1.00 0.00 N ATOM 302 CA SER A 18 -1.502 -13.248 -2.624 1.00 0.00 C ATOM 303 C SER A 18 -0.211 -13.438 -1.810 1.00 0.00 C ATOM 304 O SER A 18 0.690 -14.133 -2.264 1.00 0.00 O ATOM 305 CB SER A 18 -1.217 -13.329 -4.134 1.00 0.00 C ATOM 306 OG SER A 18 -0.771 -12.091 -4.662 1.00 0.00 O ATOM 307 HA SER A 18 -2.178 -14.040 -2.304 1.00 0.00 H ATOM 308 HB2 SER A 18 -2.132 -13.621 -4.649 1.00 0.00 H ATOM 309 HB3 SER A 18 -0.448 -14.082 -4.307 1.00 0.00 H ATOM 310 HG SER A 18 0.064 -11.820 -4.205 1.00 0.00 H ATOM 311 H SER A 18 -1.501 -11.091 -2.471 1.00 0.00 H ATOM 312 N GLY A 19 -0.132 -12.811 -0.610 1.00 0.00 N ATOM 313 CA GLY A 19 1.144 -12.994 0.081 1.00 0.00 C ATOM 314 C GLY A 19 1.192 -12.636 1.572 1.00 0.00 C ATOM 315 O GLY A 19 1.000 -13.499 2.419 1.00 0.00 O ATOM 316 HA3 GLY A 19 1.884 -12.377 -0.428 1.00 0.00 H ATOM 317 HA2 GLY A 19 1.421 -14.044 -0.013 1.00 0.00 H ATOM 318 H GLY A 19 -0.912 -12.248 -0.215 1.00 0.00 H ATOM 319 N LEU A 20 1.599 -11.376 1.852 1.00 0.00 N ATOM 320 CA LEU A 20 1.997 -11.028 3.220 1.00 0.00 C ATOM 321 C LEU A 20 1.470 -9.655 3.668 1.00 0.00 C ATOM 322 O LEU A 20 0.865 -8.905 2.920 1.00 0.00 O ATOM 323 CB LEU A 20 3.550 -10.954 3.253 1.00 0.00 C ATOM 324 CG LEU A 20 4.312 -12.082 2.519 1.00 0.00 C ATOM 325 CD1 LEU A 20 4.646 -11.709 1.061 1.00 0.00 C ATOM 326 CD2 LEU A 20 5.613 -12.428 3.255 1.00 0.00 C ATOM 327 HA LEU A 20 1.583 -11.784 3.887 1.00 0.00 H ATOM 328 HB2 LEU A 20 3.846 -10.007 2.802 1.00 0.00 H ATOM 329 HB3 LEU A 20 3.860 -10.970 4.298 1.00 0.00 H ATOM 330 HG LEU A 20 3.649 -12.947 2.509 1.00 0.00 H ATOM 331 HD21 LEU A 20 6.250 -11.544 3.300 1.00 0.00 H ATOM 332 HD22 LEU A 20 5.379 -12.761 4.266 1.00 0.00 H ATOM 333 HD23 LEU A 20 6.131 -13.224 2.720 1.00 0.00 H ATOM 334 HD11 LEU A 20 3.722 -11.515 0.516 1.00 0.00 H ATOM 335 HD12 LEU A 20 5.271 -10.816 1.050 1.00 0.00 H ATOM 336 HD13 LEU A 20 5.181 -12.534 0.590 1.00 0.00 H ATOM 337 H LEU A 20 1.629 -10.658 1.100 1.00 0.00 H ATOM 338 N GLU A 21 1.821 -9.360 4.937 1.00 0.00 N ATOM 339 CA GLU A 21 1.607 -8.036 5.512 1.00 0.00 C ATOM 340 C GLU A 21 2.615 -7.114 4.801 1.00 0.00 C ATOM 341 O GLU A 21 3.774 -7.485 4.629 1.00 0.00 O ATOM 342 CB GLU A 21 1.921 -8.121 7.019 1.00 0.00 C ATOM 343 CG GLU A 21 1.924 -6.785 7.797 1.00 0.00 C ATOM 344 CD GLU A 21 0.547 -6.431 8.362 1.00 0.00 C ATOM 345 OE1 GLU A 21 0.128 -7.047 9.342 1.00 0.00 O ATOM 346 OE2 GLU A 21 -0.130 -5.549 7.832 1.00 0.00 O ATOM 347 HA GLU A 21 0.589 -7.667 5.389 1.00 0.00 H ATOM 348 HB2 GLU A 21 1.175 -8.770 7.477 1.00 0.00 H ATOM 349 HB3 GLU A 21 2.908 -8.571 7.128 1.00 0.00 H ATOM 350 HG2 GLU A 21 2.631 -6.863 8.623 1.00 0.00 H ATOM 351 HG3 GLU A 21 2.241 -5.989 7.123 1.00 0.00 H ATOM 352 H GLU A 21 2.258 -10.099 5.524 1.00 0.00 H ATOM 353 N CYS A 22 2.148 -5.932 4.375 1.00 0.00 N ATOM 354 CA CYS A 22 3.090 -5.050 3.701 1.00 0.00 C ATOM 355 C CYS A 22 4.095 -4.435 4.684 1.00 0.00 C ATOM 356 O CYS A 22 3.860 -4.251 5.872 1.00 0.00 O ATOM 357 CB CYS A 22 2.386 -3.920 2.958 1.00 0.00 C ATOM 358 SG CYS A 22 1.570 -4.429 1.433 1.00 0.00 S ATOM 359 HA CYS A 22 3.619 -5.675 2.982 1.00 0.00 H ATOM 360 HB2 CYS A 22 3.127 -3.160 2.711 1.00 0.00 H ATOM 361 HB3 CYS A 22 1.634 -3.492 3.621 1.00 0.00 H ATOM 362 HG CYS A 22 2.534 -4.127 2.373 1.00 0.00 H ATOM 363 H CYS A 22 1.156 -5.657 4.520 1.00 0.00 H ATOM 364 N GLN A 23 5.220 -4.107 4.039 1.00 0.00 N ATOM 365 CA GLN A 23 6.354 -3.412 4.597 1.00 0.00 C ATOM 366 C GLN A 23 6.023 -1.928 4.391 1.00 0.00 C ATOM 367 O GLN A 23 5.617 -1.518 3.311 1.00 0.00 O ATOM 368 CB GLN A 23 7.581 -3.883 3.797 1.00 0.00 C ATOM 369 CG GLN A 23 8.878 -3.089 4.038 1.00 0.00 C ATOM 370 CD GLN A 23 9.331 -2.387 2.755 1.00 0.00 C ATOM 371 OE1 GLN A 23 10.283 -2.763 2.077 1.00 0.00 O ATOM 372 NE2 GLN A 23 8.530 -1.371 2.454 1.00 0.00 N ATOM 373 HA GLN A 23 6.561 -3.594 5.652 1.00 0.00 H ATOM 374 HB2 GLN A 23 7.772 -4.924 4.057 1.00 0.00 H ATOM 375 HB3 GLN A 23 7.337 -3.814 2.737 1.00 0.00 H ATOM 376 HG2 GLN A 23 8.702 -2.342 4.812 1.00 0.00 H ATOM 377 HG3 GLN A 23 9.660 -3.773 4.367 1.00 0.00 H ATOM 378 HE22 GLN A 23 7.745 -1.122 3.089 1.00 0.00 H ATOM 379 HE21 GLN A 23 8.688 -0.825 1.583 1.00 0.00 H ATOM 380 H GLN A 23 5.283 -4.380 3.037 1.00 0.00 H ATOM 381 N ALA A 24 6.175 -1.164 5.484 1.00 0.00 N ATOM 382 CA ALA A 24 5.796 0.246 5.463 1.00 0.00 C ATOM 383 C ALA A 24 6.510 1.058 4.361 1.00 0.00 C ATOM 384 O ALA A 24 7.574 0.695 3.889 1.00 0.00 O ATOM 385 CB ALA A 24 6.038 0.832 6.855 1.00 0.00 C ATOM 386 HA ALA A 24 4.738 0.314 5.210 1.00 0.00 H ATOM 387 HB1 ALA A 24 5.433 0.294 7.585 1.00 0.00 H ATOM 388 HB2 ALA A 24 7.093 0.733 7.111 1.00 0.00 H ATOM 389 HB3 ALA A 24 5.760 1.886 6.858 1.00 0.00 H ATOM 390 H ALA A 24 6.566 -1.580 6.353 1.00 0.00 H ATOM 391 N TRP A 25 5.853 2.172 3.986 1.00 0.00 N ATOM 392 CA TRP A 25 6.323 3.085 2.950 1.00 0.00 C ATOM 393 C TRP A 25 7.578 3.884 3.369 1.00 0.00 C ATOM 394 O TRP A 25 8.118 4.643 2.575 1.00 0.00 O ATOM 395 CB TRP A 25 5.214 4.093 2.603 1.00 0.00 C ATOM 396 CG TRP A 25 3.997 3.427 1.992 1.00 0.00 C ATOM 397 CD1 TRP A 25 2.809 3.109 2.656 1.00 0.00 C ATOM 398 CD2 TRP A 25 3.807 3.034 0.616 1.00 0.00 C ATOM 399 NE1 TRP A 25 1.933 2.558 1.783 1.00 0.00 N ATOM 400 CE2 TRP A 25 2.503 2.493 0.520 1.00 0.00 C ATOM 401 CE3 TRP A 25 4.600 3.110 -0.498 1.00 0.00 C ATOM 402 CZ2 TRP A 25 2.034 2.045 -0.683 1.00 0.00 C ATOM 403 CZ3 TRP A 25 4.121 2.656 -1.728 1.00 0.00 C ATOM 404 CH2 TRP A 25 2.835 2.121 -1.820 1.00 0.00 C ATOM 405 HA TRP A 25 6.585 2.465 2.093 1.00 0.00 H ATOM 406 HB2 TRP A 25 4.911 4.608 3.515 1.00 0.00 H ATOM 407 HB3 TRP A 25 5.610 4.818 1.892 1.00 0.00 H ATOM 408 HE1 TRP A 25 0.975 2.232 2.024 1.00 0.00 H ATOM 409 HD1 TRP A 25 2.617 3.279 3.715 1.00 0.00 H ATOM 410 HZ2 TRP A 25 1.030 1.627 -0.753 1.00 0.00 H ATOM 411 HH2 TRP A 25 2.459 1.764 -2.779 1.00 0.00 H ATOM 412 HZ3 TRP A 25 4.750 2.719 -2.616 1.00 0.00 H ATOM 413 HE3 TRP A 25 5.605 3.525 -0.424 1.00 0.00 H ATOM 414 H TRP A 25 4.957 2.395 4.464 1.00 0.00 H ATOM 415 N ASP A 26 8.001 3.711 4.635 1.00 0.00 N ATOM 416 CA ASP A 26 9.187 4.407 5.117 1.00 0.00 C ATOM 417 C ASP A 26 10.438 3.633 4.623 1.00 0.00 C ATOM 418 O ASP A 26 10.456 3.124 3.510 1.00 0.00 O ATOM 419 CB ASP A 26 9.075 4.596 6.649 1.00 0.00 C ATOM 420 CG ASP A 26 8.688 3.314 7.408 1.00 0.00 C ATOM 421 OD1 ASP A 26 9.262 2.265 7.142 1.00 0.00 O ATOM 422 OD2 ASP A 26 7.792 3.374 8.249 1.00 0.00 O ATOM 423 HA ASP A 26 9.282 5.416 4.715 1.00 0.00 H ATOM 424 HB2 ASP A 26 10.039 4.940 7.024 1.00 0.00 H ATOM 425 HB3 ASP A 26 8.318 5.355 6.847 1.00 0.00 H ATOM 426 H ASP A 26 7.478 3.077 5.273 1.00 0.00 H ATOM 427 N SER A 27 11.483 3.573 5.471 1.00 0.00 N ATOM 428 CA SER A 27 12.709 2.865 5.106 1.00 0.00 C ATOM 429 C SER A 27 13.097 2.008 6.305 1.00 0.00 C ATOM 430 O SER A 27 13.225 2.494 7.422 1.00 0.00 O ATOM 431 CB SER A 27 13.805 3.870 4.730 1.00 0.00 C ATOM 432 OG SER A 27 14.956 3.189 4.244 1.00 0.00 O ATOM 433 HA SER A 27 12.565 2.228 4.233 1.00 0.00 H ATOM 434 HB2 SER A 27 14.077 4.452 5.611 1.00 0.00 H ATOM 435 HB3 SER A 27 13.429 4.539 3.956 1.00 0.00 H ATOM 436 HG SER A 27 15.653 3.850 4.006 1.00 0.00 H ATOM 437 H SER A 27 11.417 4.037 6.399 1.00 0.00 H ATOM 438 N GLN A 28 13.194 0.701 6.004 1.00 0.00 N ATOM 439 CA GLN A 28 13.384 -0.297 7.036 1.00 0.00 C ATOM 440 C GLN A 28 14.190 -1.506 6.514 1.00 0.00 C ATOM 441 O GLN A 28 15.384 -1.641 6.743 1.00 0.00 O ATOM 442 CB GLN A 28 11.993 -0.614 7.654 1.00 0.00 C ATOM 443 CG GLN A 28 10.766 -0.955 6.750 1.00 0.00 C ATOM 444 CD GLN A 28 10.813 -0.508 5.276 1.00 0.00 C ATOM 445 OE1 GLN A 28 11.498 -1.102 4.457 1.00 0.00 O ATOM 446 NE2 GLN A 28 10.077 0.559 4.984 1.00 0.00 N ATOM 447 HA GLN A 28 14.010 0.073 7.848 1.00 0.00 H ATOM 448 HB2 GLN A 28 12.136 -1.468 8.316 1.00 0.00 H ATOM 449 HB3 GLN A 28 11.710 0.258 8.243 1.00 0.00 H ATOM 450 HG2 GLN A 28 10.647 -2.038 6.758 1.00 0.00 H ATOM 451 HG3 GLN A 28 9.889 -0.491 7.203 1.00 0.00 H ATOM 452 HE22 GLN A 28 9.514 1.022 5.726 1.00 0.00 H ATOM 453 HE21 GLN A 28 10.064 0.932 4.013 1.00 0.00 H ATOM 454 H GLN A 28 13.131 0.401 5.010 1.00 0.00 H ATOM 455 N SER A 29 13.437 -2.374 5.828 1.00 0.00 N ATOM 456 CA SER A 29 13.857 -3.641 5.262 1.00 0.00 C ATOM 457 C SER A 29 12.535 -4.301 4.834 1.00 0.00 C ATOM 458 O SER A 29 11.562 -4.138 5.561 1.00 0.00 O ATOM 459 CB SER A 29 14.487 -4.507 6.367 1.00 0.00 C ATOM 460 OG SER A 29 13.691 -4.523 7.542 1.00 0.00 O ATOM 461 HA SER A 29 14.578 -3.526 4.453 1.00 0.00 H ATOM 462 HB2 SER A 29 15.471 -4.106 6.612 1.00 0.00 H ATOM 463 HB3 SER A 29 14.593 -5.527 5.999 1.00 0.00 H ATOM 464 HG SER A 29 12.797 -4.892 7.329 1.00 0.00 H ATOM 465 H SER A 29 12.441 -2.111 5.685 1.00 0.00 H ATOM 466 N PRO A 30 12.509 -5.063 3.704 1.00 0.00 N ATOM 467 CA PRO A 30 13.690 -5.506 2.959 1.00 0.00 C ATOM 468 C PRO A 30 14.428 -4.508 2.048 1.00 0.00 C ATOM 469 O PRO A 30 15.514 -4.818 1.577 1.00 0.00 O ATOM 470 CB PRO A 30 13.168 -6.660 2.081 1.00 0.00 C ATOM 471 CG PRO A 30 11.807 -7.042 2.663 1.00 0.00 C ATOM 472 CD PRO A 30 11.288 -5.745 3.278 1.00 0.00 C ATOM 473 HA PRO A 30 14.451 -5.737 3.705 1.00 0.00 H ATOM 474 HD3 PRO A 30 10.746 -5.152 2.541 1.00 0.00 H ATOM 475 HD2 PRO A 30 10.637 -5.949 4.128 1.00 0.00 H ATOM 476 HG3 PRO A 30 11.914 -7.815 3.423 1.00 0.00 H ATOM 477 HG2 PRO A 30 11.136 -7.395 1.880 1.00 0.00 H ATOM 478 HB2 PRO A 30 13.061 -6.332 1.047 1.00 0.00 H ATOM 479 HB3 PRO A 30 13.851 -7.508 2.123 1.00 0.00 H ATOM 480 N HIS A 31 13.833 -3.315 1.814 1.00 0.00 N ATOM 481 CA HIS A 31 14.536 -2.401 0.906 1.00 0.00 C ATOM 482 C HIS A 31 14.005 -0.962 0.989 1.00 0.00 C ATOM 483 O HIS A 31 12.813 -0.723 1.110 1.00 0.00 O ATOM 484 CB HIS A 31 14.444 -2.894 -0.558 1.00 0.00 C ATOM 485 CG HIS A 31 13.022 -3.167 -1.021 1.00 0.00 C ATOM 486 ND1 HIS A 31 11.888 -2.853 -0.350 1.00 0.00 N ATOM 487 CD2 HIS A 31 12.647 -3.795 -2.222 1.00 0.00 C ATOM 488 CE1 HIS A 31 10.871 -3.278 -1.115 1.00 0.00 C ATOM 489 NE2 HIS A 31 11.297 -3.850 -2.254 1.00 0.00 N ATOM 490 HA HIS A 31 15.577 -2.396 1.228 1.00 0.00 H ATOM 491 HB2 HIS A 31 14.877 -2.132 -1.206 1.00 0.00 H ATOM 492 HB3 HIS A 31 15.019 -3.816 -0.648 1.00 0.00 H ATOM 493 HD2 HIS A 31 13.324 -4.170 -2.990 1.00 0.00 H ATOM 494 HE1 HIS A 31 9.821 -3.172 -0.844 1.00 0.00 H ATOM 495 H HIS A 31 12.926 -3.060 2.254 1.00 0.00 H ATOM 496 N ALA A 32 14.975 -0.028 0.880 1.00 0.00 N ATOM 497 CA ALA A 32 14.687 1.405 0.844 1.00 0.00 C ATOM 498 C ALA A 32 14.217 1.800 -0.575 1.00 0.00 C ATOM 499 O ALA A 32 14.942 2.390 -1.365 1.00 0.00 O ATOM 500 CB ALA A 32 15.950 2.178 1.238 1.00 0.00 C ATOM 501 HA ALA A 32 13.892 1.649 1.549 1.00 0.00 H ATOM 502 HB1 ALA A 32 16.252 1.889 2.244 1.00 0.00 H ATOM 503 HB2 ALA A 32 16.751 1.946 0.536 1.00 0.00 H ATOM 504 HB3 ALA A 32 15.742 3.248 1.213 1.00 0.00 H ATOM 505 H ALA A 32 15.965 -0.340 0.819 1.00 0.00 H ATOM 506 N HIS A 33 12.968 1.393 -0.833 1.00 0.00 N ATOM 507 CA HIS A 33 12.293 1.615 -2.112 1.00 0.00 C ATOM 508 C HIS A 33 11.895 3.103 -2.310 1.00 0.00 C ATOM 509 O HIS A 33 12.119 3.957 -1.462 1.00 0.00 O ATOM 510 CB HIS A 33 11.051 0.707 -2.111 1.00 0.00 C ATOM 511 CG HIS A 33 10.247 1.033 -0.874 1.00 0.00 C ATOM 512 ND1 HIS A 33 9.618 2.205 -0.668 1.00 0.00 N ATOM 513 CD2 HIS A 33 10.069 0.242 0.267 1.00 0.00 C ATOM 514 CE1 HIS A 33 9.079 2.139 0.550 1.00 0.00 C ATOM 515 NE2 HIS A 33 9.332 0.963 1.140 1.00 0.00 N ATOM 516 HA HIS A 33 12.960 1.375 -2.940 1.00 0.00 H ATOM 517 HB2 HIS A 33 10.453 0.894 -3.003 1.00 0.00 H ATOM 518 HB3 HIS A 33 11.355 -0.339 -2.092 1.00 0.00 H ATOM 519 HD2 HIS A 33 10.453 -0.766 0.422 1.00 0.00 H ATOM 520 HE1 HIS A 33 8.503 2.943 1.009 1.00 0.00 H ATOM 521 H HIS A 33 12.449 0.892 -0.084 1.00 0.00 H ATOM 522 N GLY A 34 11.255 3.338 -3.478 1.00 0.00 N ATOM 523 CA GLY A 34 10.745 4.667 -3.822 1.00 0.00 C ATOM 524 C GLY A 34 9.362 4.890 -3.187 1.00 0.00 C ATOM 525 O GLY A 34 8.850 4.028 -2.490 1.00 0.00 O ATOM 526 HA3 GLY A 34 10.661 4.751 -4.906 1.00 0.00 H ATOM 527 HA2 GLY A 34 11.437 5.424 -3.453 1.00 0.00 H ATOM 528 H GLY A 34 11.122 2.555 -4.149 1.00 0.00 H ATOM 529 N TYR A 36 8.782 6.080 -3.456 1.00 0.00 N ATOM 530 CA TYR A 36 7.484 6.450 -2.867 1.00 0.00 C ATOM 531 C TYR A 36 7.662 6.618 -1.342 1.00 0.00 C ATOM 532 O TYR A 36 7.019 5.967 -0.530 1.00 0.00 O ATOM 533 CB TYR A 36 6.342 5.452 -3.165 1.00 0.00 C ATOM 534 CG TYR A 36 6.289 5.001 -4.598 1.00 0.00 C ATOM 535 CD1 TYR A 36 5.735 5.785 -5.602 1.00 0.00 C ATOM 536 CD2 TYR A 36 6.795 3.756 -4.930 1.00 0.00 C ATOM 537 CE1 TYR A 36 5.700 5.322 -6.913 1.00 0.00 C ATOM 538 CE2 TYR A 36 6.763 3.288 -6.230 1.00 0.00 C ATOM 539 CZ TYR A 36 6.223 4.078 -7.236 1.00 0.00 C ATOM 540 OH TYR A 36 6.198 3.654 -8.550 1.00 0.00 O ATOM 541 HA TYR A 36 7.178 7.385 -3.335 1.00 0.00 H ATOM 542 HB3 TYR A 36 5.394 5.931 -2.920 1.00 0.00 H ATOM 543 HB2 TYR A 36 6.478 4.574 -2.533 1.00 0.00 H ATOM 544 HD2 TYR A 36 7.228 3.131 -4.149 1.00 0.00 H ATOM 545 HE2 TYR A 36 7.161 2.301 -6.465 1.00 0.00 H ATOM 546 HE1 TYR A 36 5.258 5.942 -7.693 1.00 0.00 H ATOM 547 HD1 TYR A 36 5.326 6.766 -5.362 1.00 0.00 H ATOM 548 HH TYR A 36 7.124 3.492 -8.861 1.00 0.00 H ATOM 549 H TYR A 36 9.262 6.748 -4.092 1.00 0.00 H ATOM 550 N ILE A 37 8.624 7.505 -1.032 1.00 0.00 N ATOM 551 CA ILE A 37 9.035 7.728 0.349 1.00 0.00 C ATOM 552 C ILE A 37 8.248 8.936 0.905 1.00 0.00 C ATOM 553 O ILE A 37 8.340 10.026 0.350 1.00 0.00 O ATOM 554 CB ILE A 37 10.559 7.989 0.376 1.00 0.00 C ATOM 555 CG1 ILE A 37 11.336 6.814 -0.260 1.00 0.00 C ATOM 556 CG2 ILE A 37 11.054 8.254 1.809 1.00 0.00 C ATOM 557 CD1 ILE A 37 12.841 7.071 -0.401 1.00 0.00 C ATOM 558 HA ILE A 37 8.823 6.858 0.971 1.00 0.00 H ATOM 559 HB ILE A 37 10.749 8.883 -0.217 1.00 0.00 H ATOM 560 HG12 ILE A 37 11.195 5.931 0.363 1.00 0.00 H ATOM 561 HG13 ILE A 37 10.925 6.627 -1.252 1.00 0.00 H ATOM 562 HD11 ILE A 37 13.001 7.945 -1.032 1.00 0.00 H ATOM 563 HD12 ILE A 37 13.272 7.249 0.584 1.00 0.00 H ATOM 564 HD13 ILE A 37 13.316 6.201 -0.855 1.00 0.00 H ATOM 565 HG21 ILE A 37 10.544 9.129 2.212 1.00 0.00 H ATOM 566 HG22 ILE A 37 10.838 7.386 2.433 1.00 0.00 H ATOM 567 HG23 ILE A 37 12.129 8.434 1.793 1.00 0.00 H ATOM 568 H ILE A 37 9.085 8.043 -1.793 1.00 0.00 H ATOM 569 N PRO A 38 7.484 8.736 2.023 1.00 0.00 N ATOM 570 CA PRO A 38 6.654 9.802 2.595 1.00 0.00 C ATOM 571 C PRO A 38 7.344 11.159 2.833 1.00 0.00 C ATOM 572 O PRO A 38 6.725 12.212 2.774 1.00 0.00 O ATOM 573 CB PRO A 38 6.189 9.225 3.945 1.00 0.00 C ATOM 574 CG PRO A 38 6.326 7.704 3.830 1.00 0.00 C ATOM 575 CD PRO A 38 7.352 7.462 2.724 1.00 0.00 C ATOM 576 HA PRO A 38 5.865 10.047 1.884 1.00 0.00 H ATOM 577 HD3 PRO A 38 8.309 7.162 3.151 1.00 0.00 H ATOM 578 HD2 PRO A 38 7.001 6.687 2.042 1.00 0.00 H ATOM 579 HG3 PRO A 38 5.369 7.255 3.565 1.00 0.00 H ATOM 580 HG2 PRO A 38 6.676 7.282 4.772 1.00 0.00 H ATOM 581 HB2 PRO A 38 6.816 9.601 4.753 1.00 0.00 H ATOM 582 HB3 PRO A 38 5.151 9.498 4.135 1.00 0.00 H ATOM 583 N SER A 39 8.668 11.080 3.046 1.00 0.00 N ATOM 584 CA SER A 39 9.492 12.257 3.282 1.00 0.00 C ATOM 585 C SER A 39 9.477 13.277 2.124 1.00 0.00 C ATOM 586 O SER A 39 9.876 14.422 2.292 1.00 0.00 O ATOM 587 CB SER A 39 10.920 11.759 3.530 1.00 0.00 C ATOM 588 OG SER A 39 10.841 10.544 4.270 1.00 0.00 O ATOM 589 HA SER A 39 9.086 12.796 4.138 1.00 0.00 H ATOM 590 HB2 SER A 39 11.478 12.503 4.099 1.00 0.00 H ATOM 591 HB3 SER A 39 11.420 11.581 2.578 1.00 0.00 H ATOM 592 HG SER A 39 11.755 10.204 4.442 1.00 0.00 H ATOM 593 H SER A 39 9.121 10.144 3.042 1.00 0.00 H ATOM 594 N LYS A 40 9.015 12.801 0.951 1.00 0.00 N ATOM 595 CA LYS A 40 8.970 13.635 -0.244 1.00 0.00 C ATOM 596 C LYS A 40 7.534 14.058 -0.591 1.00 0.00 C ATOM 597 O LYS A 40 7.306 14.684 -1.619 1.00 0.00 O ATOM 598 CB LYS A 40 9.553 12.824 -1.414 1.00 0.00 C ATOM 599 CG LYS A 40 11.026 12.444 -1.196 1.00 0.00 C ATOM 600 CD LYS A 40 11.649 11.785 -2.434 1.00 0.00 C ATOM 601 CE LYS A 40 13.135 11.460 -2.229 1.00 0.00 C ATOM 602 NZ LYS A 40 13.775 10.922 -3.431 1.00 0.00 N ATOM 603 HA LYS A 40 9.547 14.541 -0.061 1.00 0.00 H ATOM 604 HB2 LYS A 40 8.970 11.910 -1.530 1.00 0.00 H ATOM 605 HB3 LYS A 40 9.477 13.420 -2.324 1.00 0.00 H ATOM 606 HG2 LYS A 40 11.589 13.346 -0.959 1.00 0.00 H ATOM 607 HG3 LYS A 40 11.088 11.748 -0.360 1.00 0.00 H ATOM 608 HD2 LYS A 40 11.113 10.860 -2.648 1.00 0.00 H ATOM 609 HD3 LYS A 40 11.551 12.464 -3.281 1.00 0.00 H ATOM 610 HE2 LYS A 40 13.223 10.724 -1.430 1.00 0.00 H ATOM 611 HE3 LYS A 40 13.654 12.374 -1.939 1.00 0.00 H ATOM 612 HZ1 LYS A 40 13.295 10.044 -3.714 1.00 0.00 H ATOM 613 HZ2 LYS A 40 13.707 11.619 -4.200 1.00 0.00 H ATOM 614 HZ3 LYS A 40 14.776 10.723 -3.230 1.00 0.00 H ATOM 615 H LYS A 40 8.683 11.817 0.897 1.00 0.00 H ATOM 616 N PHE A 41 6.580 13.675 0.283 1.00 0.00 N ATOM 617 CA PHE A 41 5.178 13.965 0.001 1.00 0.00 C ATOM 618 C PHE A 41 4.505 14.723 1.157 1.00 0.00 C ATOM 619 O PHE A 41 4.215 14.149 2.196 1.00 0.00 O ATOM 620 CB PHE A 41 4.424 12.652 -0.240 1.00 0.00 C ATOM 621 CG PHE A 41 4.948 11.945 -1.459 1.00 0.00 C ATOM 622 CD1 PHE A 41 4.559 12.345 -2.732 1.00 0.00 C ATOM 623 CD2 PHE A 41 5.824 10.877 -1.332 1.00 0.00 C ATOM 624 CE1 PHE A 41 5.014 11.667 -3.855 1.00 0.00 C ATOM 625 CE2 PHE A 41 6.289 10.205 -2.451 1.00 0.00 C ATOM 626 CZ PHE A 41 5.881 10.594 -3.717 1.00 0.00 C ATOM 627 HA PHE A 41 5.143 14.598 -0.886 1.00 0.00 H ATOM 628 HB2 PHE A 41 4.548 12.005 0.628 1.00 0.00 H ATOM 629 HB3 PHE A 41 3.365 12.869 -0.381 1.00 0.00 H ATOM 630 HD2 PHE A 41 6.150 10.563 -0.341 1.00 0.00 H ATOM 631 HE2 PHE A 41 6.978 9.368 -2.335 1.00 0.00 H ATOM 632 HZ PHE A 41 6.239 10.060 -4.597 1.00 0.00 H ATOM 633 HE1 PHE A 41 4.689 11.979 -4.847 1.00 0.00 H ATOM 634 HD1 PHE A 41 3.891 13.198 -2.850 1.00 0.00 H ATOM 635 H PHE A 41 6.843 13.174 1.156 1.00 0.00 H ATOM 636 N PRO A 42 4.171 16.024 0.916 1.00 0.00 N ATOM 637 CA PRO A 42 3.119 16.669 1.704 1.00 0.00 C ATOM 638 C PRO A 42 1.706 16.211 1.258 1.00 0.00 C ATOM 639 O PRO A 42 0.699 16.561 1.858 1.00 0.00 O ATOM 640 CB PRO A 42 3.324 18.162 1.418 1.00 0.00 C ATOM 641 CG PRO A 42 3.978 18.216 0.034 1.00 0.00 C ATOM 642 CD PRO A 42 4.767 16.908 -0.092 1.00 0.00 C ATOM 643 HA PRO A 42 3.181 16.420 2.763 1.00 0.00 H ATOM 644 HD3 PRO A 42 4.656 16.485 -1.090 1.00 0.00 H ATOM 645 HD2 PRO A 42 5.824 17.073 0.116 1.00 0.00 H ATOM 646 HG3 PRO A 42 4.646 19.074 -0.040 1.00 0.00 H ATOM 647 HG2 PRO A 42 3.219 18.281 -0.745 1.00 0.00 H ATOM 648 HB2 PRO A 42 2.368 18.686 1.411 1.00 0.00 H ATOM 649 HB3 PRO A 42 3.976 18.610 2.168 1.00 0.00 H ATOM 650 N ASN A 43 1.697 15.405 0.173 1.00 0.00 N ATOM 651 CA ASN A 43 0.460 14.843 -0.356 1.00 0.00 C ATOM 652 C ASN A 43 -0.051 13.770 0.630 1.00 0.00 C ATOM 653 O ASN A 43 0.723 13.169 1.362 1.00 0.00 O ATOM 654 CB ASN A 43 0.761 14.225 -1.736 1.00 0.00 C ATOM 655 CG ASN A 43 -0.494 13.621 -2.381 1.00 0.00 C ATOM 656 OD1 ASN A 43 -0.890 12.506 -2.080 1.00 0.00 O ATOM 657 ND2 ASN A 43 -1.104 14.414 -3.268 1.00 0.00 N ATOM 658 HA ASN A 43 -0.308 15.608 -0.470 1.00 0.00 H ATOM 659 HB2 ASN A 43 1.155 15.002 -2.391 1.00 0.00 H ATOM 660 HB3 ASN A 43 1.508 13.440 -1.615 1.00 0.00 H ATOM 661 HD22 ASN A 43 -0.714 15.355 -3.479 1.00 0.00 H ATOM 662 HD21 ASN A 43 -1.969 14.090 -3.747 1.00 0.00 H ATOM 663 H ASN A 43 2.597 15.180 -0.297 1.00 0.00 H ATOM 664 N LYS A 44 -1.380 13.545 0.609 1.00 0.00 N ATOM 665 CA LYS A 44 -1.975 12.564 1.510 1.00 0.00 C ATOM 666 C LYS A 44 -1.999 11.196 0.797 1.00 0.00 C ATOM 667 O LYS A 44 -3.044 10.592 0.555 1.00 0.00 O ATOM 668 CB LYS A 44 -3.379 13.072 1.901 1.00 0.00 C ATOM 669 CG LYS A 44 -3.943 12.518 3.226 1.00 0.00 C ATOM 670 CD LYS A 44 -4.406 11.054 3.187 1.00 0.00 C ATOM 671 CE LYS A 44 -5.598 10.816 2.245 1.00 0.00 C ATOM 672 NZ LYS A 44 -5.369 9.705 1.331 1.00 0.00 N ATOM 673 HA LYS A 44 -1.401 12.436 2.428 1.00 0.00 H ATOM 674 HB2 LYS A 44 -3.332 14.158 1.984 1.00 0.00 H ATOM 675 HB3 LYS A 44 -4.069 12.799 1.102 1.00 0.00 H ATOM 676 HG2 LYS A 44 -3.165 12.604 3.985 1.00 0.00 H ATOM 677 HG3 LYS A 44 -4.797 13.133 3.511 1.00 0.00 H ATOM 678 HD2 LYS A 44 -3.572 10.436 2.853 1.00 0.00 H ATOM 679 HD3 LYS A 44 -4.696 10.756 4.194 1.00 0.00 H ATOM 680 HE2 LYS A 44 -5.770 11.720 1.661 1.00 0.00 H ATOM 681 HE3 LYS A 44 -6.482 10.600 2.845 1.00 0.00 H ATOM 682 HZ1 LYS A 44 -4.532 9.905 0.747 1.00 0.00 H ATOM 683 HZ2 LYS A 44 -5.212 8.834 1.878 1.00 0.00 H ATOM 684 HZ3 LYS A 44 -6.200 9.585 0.718 1.00 0.00 H ATOM 685 H LYS A 44 -1.984 14.073 -0.053 1.00 0.00 H ATOM 686 N ASN A 45 -0.763 10.745 0.491 1.00 0.00 N ATOM 687 CA ASN A 45 -0.569 9.455 -0.159 1.00 0.00 C ATOM 688 C ASN A 45 -0.058 8.426 0.865 1.00 0.00 C ATOM 689 O ASN A 45 -0.867 7.806 1.549 1.00 0.00 O ATOM 690 CB ASN A 45 0.194 9.533 -1.504 1.00 0.00 C ATOM 691 CG ASN A 45 1.595 10.154 -1.433 1.00 0.00 C ATOM 692 OD1 ASN A 45 2.060 10.556 -0.378 1.00 0.00 O ATOM 693 ND2 ASN A 45 2.269 10.133 -2.593 1.00 0.00 N ATOM 694 HA ASN A 45 -1.535 9.082 -0.498 1.00 0.00 H ATOM 695 HB2 ASN A 45 0.295 8.520 -1.893 1.00 0.00 H ATOM 696 HB3 ASN A 45 -0.403 10.128 -2.195 1.00 0.00 H ATOM 697 HD22 ASN A 45 1.809 9.776 -3.455 1.00 0.00 H ATOM 698 HD21 ASN A 45 3.251 10.473 -2.630 1.00 0.00 H ATOM 699 H ASN A 45 0.065 11.329 0.724 1.00 0.00 H ATOM 700 N LEU A 46 1.270 8.226 0.925 1.00 0.00 N ATOM 701 CA LEU A 46 1.839 7.182 1.771 1.00 0.00 C ATOM 702 C LEU A 46 1.416 7.319 3.247 1.00 0.00 C ATOM 703 O LEU A 46 0.791 8.287 3.675 1.00 0.00 O ATOM 704 CB LEU A 46 3.365 7.105 1.583 1.00 0.00 C ATOM 705 CG LEU A 46 3.856 6.765 0.150 1.00 0.00 C ATOM 706 CD1 LEU A 46 2.807 6.126 -0.779 1.00 0.00 C ATOM 707 CD2 LEU A 46 4.529 7.962 -0.524 1.00 0.00 C ATOM 708 HA LEU A 46 1.425 6.227 1.447 1.00 0.00 H ATOM 709 HB2 LEU A 46 3.785 8.072 1.859 1.00 0.00 H ATOM 710 HB3 LEU A 46 3.747 6.339 2.258 1.00 0.00 H ATOM 711 HG LEU A 46 4.599 5.984 0.311 1.00 0.00 H ATOM 712 HD21 LEU A 46 3.818 8.785 -0.593 1.00 0.00 H ATOM 713 HD22 LEU A 46 5.391 8.273 0.067 1.00 0.00 H ATOM 714 HD23 LEU A 46 4.856 7.678 -1.524 1.00 0.00 H ATOM 715 HD11 LEU A 46 2.460 5.189 -0.343 1.00 0.00 H ATOM 716 HD12 LEU A 46 1.965 6.808 -0.897 1.00 0.00 H ATOM 717 HD13 LEU A 46 3.257 5.931 -1.753 1.00 0.00 H ATOM 718 H LEU A 46 1.903 8.826 0.358 1.00 0.00 H ATOM 719 N LYS A 47 1.722 6.237 3.981 1.00 0.00 N ATOM 720 CA LYS A 47 1.374 6.168 5.390 1.00 0.00 C ATOM 721 C LYS A 47 2.329 5.149 6.020 1.00 0.00 C ATOM 722 O LYS A 47 3.488 5.093 5.632 1.00 0.00 O ATOM 723 CB LYS A 47 -0.134 5.854 5.501 1.00 0.00 C ATOM 724 CG LYS A 47 -0.811 6.630 6.638 1.00 0.00 C ATOM 725 CD LYS A 47 -2.223 7.104 6.270 1.00 0.00 C ATOM 726 CE LYS A 47 -2.272 8.357 5.361 1.00 0.00 C ATOM 727 NZ LYS A 47 -1.830 8.215 3.967 1.00 0.00 N ATOM 728 HA LYS A 47 1.503 7.099 5.942 1.00 0.00 H ATOM 729 HB2 LYS A 47 -0.617 6.118 4.560 1.00 0.00 H ATOM 730 HB3 LYS A 47 -0.257 4.786 5.684 1.00 0.00 H ATOM 731 HG2 LYS A 47 -0.877 5.982 7.512 1.00 0.00 H ATOM 732 HG3 LYS A 47 -0.201 7.501 6.878 1.00 0.00 H ATOM 733 HD2 LYS A 47 -2.730 6.290 5.753 1.00 0.00 H ATOM 734 HD3 LYS A 47 -2.755 7.334 7.193 1.00 0.00 H ATOM 735 HE2 LYS A 47 -1.645 9.119 5.824 1.00 0.00 H ATOM 736 HE3 LYS A 47 -3.306 8.703 5.340 1.00 0.00 H ATOM 737 HZ1 LYS A 47 -0.837 7.906 3.949 1.00 0.00 H ATOM 738 HZ2 LYS A 47 -2.423 7.508 3.487 1.00 0.00 H ATOM 739 HZ3 LYS A 47 -1.918 9.131 3.482 1.00 0.00 H ATOM 740 H LYS A 47 2.215 5.437 3.535 1.00 0.00 H ATOM 741 N LYS A 48 1.793 4.317 6.944 1.00 0.00 N ATOM 742 CA LYS A 48 2.618 3.234 7.480 1.00 0.00 C ATOM 743 C LYS A 48 2.757 2.151 6.403 1.00 0.00 C ATOM 744 O LYS A 48 3.596 2.287 5.534 1.00 0.00 O ATOM 745 CB LYS A 48 2.121 2.710 8.841 1.00 0.00 C ATOM 746 CG LYS A 48 2.264 3.752 9.966 1.00 0.00 C ATOM 747 CD LYS A 48 3.651 4.426 10.049 1.00 0.00 C ATOM 748 CE LYS A 48 4.839 3.445 10.100 1.00 0.00 C ATOM 749 NZ LYS A 48 6.129 4.107 9.909 1.00 0.00 N ATOM 750 HA LYS A 48 3.612 3.616 7.711 1.00 0.00 H ATOM 751 HB2 LYS A 48 1.069 2.439 8.748 1.00 0.00 H ATOM 752 HB3 LYS A 48 2.701 1.826 9.108 1.00 0.00 H ATOM 753 HG2 LYS A 48 1.517 4.530 9.806 1.00 0.00 H ATOM 754 HG3 LYS A 48 2.070 3.255 10.916 1.00 0.00 H ATOM 755 HD2 LYS A 48 3.773 5.063 9.173 1.00 0.00 H ATOM 756 HD3 LYS A 48 3.678 5.040 10.949 1.00 0.00 H ATOM 757 HE2 LYS A 48 4.710 2.700 9.315 1.00 0.00 H ATOM 758 HE3 LYS A 48 4.841 2.951 11.071 1.00 0.00 H ATOM 759 HZ1 LYS A 48 6.143 4.576 8.981 1.00 0.00 H ATOM 760 HZ2 LYS A 48 6.268 4.815 10.658 1.00 0.00 H ATOM 761 HZ3 LYS A 48 6.890 3.400 9.953 1.00 0.00 H ATOM 762 H LYS A 48 0.813 4.445 7.267 1.00 0.00 H ATOM 763 N ASN A 49 1.926 1.097 6.451 1.00 0.00 N ATOM 764 CA ASN A 49 2.011 0.064 5.407 1.00 0.00 C ATOM 765 C ASN A 49 0.726 -0.007 4.575 1.00 0.00 C ATOM 766 O ASN A 49 0.679 -0.662 3.541 1.00 0.00 O ATOM 767 CB ASN A 49 2.442 -1.280 6.023 1.00 0.00 C ATOM 768 CG ASN A 49 1.416 -1.839 7.019 1.00 0.00 C ATOM 769 OD1 ASN A 49 0.550 -1.126 7.515 1.00 0.00 O ATOM 770 ND2 ASN A 49 1.556 -3.155 7.241 1.00 0.00 N ATOM 771 HA ASN A 49 2.788 0.337 4.693 1.00 0.00 H ATOM 772 HB2 ASN A 49 2.576 -2.004 5.219 1.00 0.00 H ATOM 773 HB3 ASN A 49 3.389 -1.136 6.543 1.00 0.00 H ATOM 774 HD22 ASN A 49 2.322 -3.682 6.776 1.00 0.00 H ATOM 775 HD21 ASN A 49 0.898 -3.648 7.878 1.00 0.00 H ATOM 776 H ASN A 49 1.229 1.012 7.219 1.00 0.00 H ATOM 777 N TYR A 50 -0.302 0.715 5.057 1.00 0.00 N ATOM 778 CA TYR A 50 -1.606 0.765 4.390 1.00 0.00 C ATOM 779 C TYR A 50 -1.439 1.019 2.881 1.00 0.00 C ATOM 780 O TYR A 50 -0.719 1.919 2.462 1.00 0.00 O ATOM 781 CB TYR A 50 -2.485 1.851 5.034 1.00 0.00 C ATOM 782 CG TYR A 50 -2.561 1.723 6.535 1.00 0.00 C ATOM 783 CD1 TYR A 50 -2.806 0.492 7.138 1.00 0.00 C ATOM 784 CD2 TYR A 50 -2.383 2.840 7.347 1.00 0.00 C ATOM 785 CE1 TYR A 50 -2.853 0.375 8.520 1.00 0.00 C ATOM 786 CE2 TYR A 50 -2.442 2.728 8.731 1.00 0.00 C ATOM 787 CZ TYR A 50 -2.673 1.492 9.319 1.00 0.00 C ATOM 788 OH TYR A 50 -2.733 1.362 10.691 1.00 0.00 O ATOM 789 HA TYR A 50 -2.098 -0.200 4.513 1.00 0.00 H ATOM 790 HB3 TYR A 50 -3.492 1.772 4.625 1.00 0.00 H ATOM 791 HB2 TYR A 50 -2.069 2.828 4.787 1.00 0.00 H ATOM 792 HD2 TYR A 50 -2.195 3.813 6.892 1.00 0.00 H ATOM 793 HE2 TYR A 50 -2.307 3.611 9.355 1.00 0.00 H ATOM 794 HE1 TYR A 50 -3.032 -0.598 8.978 1.00 0.00 H ATOM 795 HD1 TYR A 50 -2.963 -0.390 6.517 1.00 0.00 H ATOM 796 HH TYR A 50 -2.904 0.415 10.924 1.00 0.00 H ATOM 797 H TYR A 50 -0.166 1.257 5.934 1.00 0.00 H ATOM 798 N CYS A 51 -2.110 0.143 2.112 1.00 0.00 N ATOM 799 CA CYS A 51 -1.978 0.177 0.660 1.00 0.00 C ATOM 800 C CYS A 51 -2.410 1.526 0.083 1.00 0.00 C ATOM 801 O CYS A 51 -3.310 2.165 0.605 1.00 0.00 O ATOM 802 CB CYS A 51 -2.815 -0.966 0.094 1.00 0.00 C ATOM 803 SG CYS A 51 -2.662 -2.411 1.163 1.00 0.00 S ATOM 804 HA CYS A 51 -0.932 0.053 0.379 1.00 0.00 H ATOM 805 HB2 CYS A 51 -2.461 -1.215 -0.906 1.00 0.00 H ATOM 806 HB3 CYS A 51 -3.860 -0.661 0.043 1.00 0.00 H ATOM 807 HG CYS A 51 -1.554 -1.854 1.769 1.00 0.00 H ATOM 808 H CYS A 51 -2.729 -0.565 2.557 1.00 0.00 H ATOM 809 N ARG A 52 -1.724 1.914 -1.005 1.00 0.00 N ATOM 810 CA ARG A 52 -2.024 3.162 -1.694 1.00 0.00 C ATOM 811 C ARG A 52 -2.038 2.848 -3.189 1.00 0.00 C ATOM 812 O ARG A 52 -2.066 1.688 -3.586 1.00 0.00 O ATOM 813 CB ARG A 52 -0.992 4.257 -1.342 1.00 0.00 C ATOM 814 CG ARG A 52 -0.954 4.646 0.136 1.00 0.00 C ATOM 815 CD ARG A 52 -2.275 5.236 0.640 1.00 0.00 C ATOM 816 NE ARG A 52 -2.642 6.469 -0.060 1.00 0.00 N ATOM 817 CZ ARG A 52 -3.554 6.579 -1.053 1.00 0.00 C ATOM 818 NH1 ARG A 52 -4.368 5.579 -1.348 1.00 0.00 N ATOM 819 NH2 ARG A 52 -3.654 7.703 -1.756 1.00 0.00 N ATOM 820 HA ARG A 52 -2.991 3.558 -1.383 1.00 0.00 H ATOM 821 HB2 ARG A 52 -0.003 3.896 -1.624 1.00 0.00 H ATOM 822 HB3 ARG A 52 -1.231 5.148 -1.922 1.00 0.00 H ATOM 823 HG2 ARG A 52 -0.726 3.756 0.723 1.00 0.00 H ATOM 824 HG3 ARG A 52 -0.167 5.386 0.279 1.00 0.00 H ATOM 825 HD2 ARG A 52 -2.178 5.453 1.704 1.00 0.00 H ATOM 826 HD3 ARG A 52 -3.066 4.501 0.491 1.00 0.00 H ATOM 827 HE ARG A 52 -2.157 7.341 0.234 1.00 0.00 H ATOM 828 HH12 ARG A 52 -5.063 5.683 -2.115 1.00 0.00 H ATOM 829 HH11 ARG A 52 -4.313 4.689 -0.813 1.00 0.00 H ATOM 830 HH22 ARG A 52 -4.358 7.779 -2.518 1.00 0.00 H ATOM 831 HH21 ARG A 52 -3.028 8.506 -1.544 1.00 0.00 H ATOM 832 H ARG A 52 -0.959 1.308 -1.365 1.00 0.00 H ATOM 833 N ASN A 53 -2.019 3.930 -3.997 1.00 0.00 N ATOM 834 CA ASN A 53 -1.984 3.719 -5.436 1.00 0.00 C ATOM 835 C ASN A 53 -1.186 4.839 -6.138 1.00 0.00 C ATOM 836 O ASN A 53 -1.737 5.579 -6.940 1.00 0.00 O ATOM 837 CB ASN A 53 -3.441 3.567 -5.963 1.00 0.00 C ATOM 838 CG ASN A 53 -3.537 2.276 -6.766 1.00 0.00 C ATOM 839 OD1 ASN A 53 -2.546 1.830 -7.324 1.00 0.00 O ATOM 840 ND2 ASN A 53 -4.765 1.773 -6.900 1.00 0.00 N ATOM 841 HA ASN A 53 -1.454 2.796 -5.670 1.00 0.00 H ATOM 842 HB2 ASN A 53 -4.134 3.529 -5.122 1.00 0.00 H ATOM 843 HB3 ASN A 53 -3.691 4.415 -6.600 1.00 0.00 H ATOM 844 HD22 ASN A 53 -5.563 2.206 -6.393 1.00 0.00 H ATOM 845 HD21 ASN A 53 -4.925 0.947 -7.512 1.00 0.00 H ATOM 846 H ASN A 53 -2.029 4.891 -3.600 1.00 0.00 H ATOM 847 N PRO A 54 0.143 4.961 -5.835 1.00 0.00 N ATOM 848 CA PRO A 54 0.942 6.061 -6.394 1.00 0.00 C ATOM 849 C PRO A 54 0.977 6.199 -7.934 1.00 0.00 C ATOM 850 O PRO A 54 1.040 7.296 -8.471 1.00 0.00 O ATOM 851 CB PRO A 54 2.362 5.779 -5.883 1.00 0.00 C ATOM 852 CG PRO A 54 2.201 4.872 -4.664 1.00 0.00 C ATOM 853 CD PRO A 54 0.903 4.110 -4.915 1.00 0.00 C ATOM 854 HA PRO A 54 0.491 7.002 -6.078 1.00 0.00 H ATOM 855 HD3 PRO A 54 1.108 3.140 -5.369 1.00 0.00 H ATOM 856 HD2 PRO A 54 0.356 3.966 -3.984 1.00 0.00 H ATOM 857 HG3 PRO A 54 2.129 5.464 -3.751 1.00 0.00 H ATOM 858 HG2 PRO A 54 3.042 4.183 -4.584 1.00 0.00 H ATOM 859 HB2 PRO A 54 2.949 5.278 -6.653 1.00 0.00 H ATOM 860 HB3 PRO A 54 2.854 6.709 -5.600 1.00 0.00 H ATOM 861 N ASP A 55 0.889 5.029 -8.596 1.00 0.00 N ATOM 862 CA ASP A 55 0.857 4.956 -10.058 1.00 0.00 C ATOM 863 C ASP A 55 -0.579 4.668 -10.547 1.00 0.00 C ATOM 864 O ASP A 55 -0.869 4.598 -11.737 1.00 0.00 O ATOM 865 CB ASP A 55 1.821 3.846 -10.516 1.00 0.00 C ATOM 866 CG ASP A 55 1.391 2.450 -10.039 1.00 0.00 C ATOM 867 OD1 ASP A 55 1.459 2.174 -8.845 1.00 0.00 O ATOM 868 OD2 ASP A 55 1.019 1.613 -10.857 1.00 0.00 O ATOM 869 HA ASP A 55 1.170 5.909 -10.485 1.00 0.00 H ATOM 870 HB2 ASP A 55 1.860 3.846 -11.605 1.00 0.00 H ATOM 871 HB3 ASP A 55 2.813 4.060 -10.118 1.00 0.00 H ATOM 872 H ASP A 55 0.842 4.146 -8.049 1.00 0.00 H ATOM 873 N ARG A 56 -1.445 4.514 -9.537 1.00 0.00 N ATOM 874 CA ARG A 56 -2.852 4.208 -9.658 1.00 0.00 C ATOM 875 C ARG A 56 -3.141 2.969 -10.538 1.00 0.00 C ATOM 876 O ARG A 56 -3.834 2.992 -11.548 1.00 0.00 O ATOM 877 CB ARG A 56 -3.744 5.450 -9.787 1.00 0.00 C ATOM 878 CG ARG A 56 -3.818 6.076 -11.188 1.00 0.00 C ATOM 879 CD ARG A 56 -2.796 7.200 -11.415 1.00 0.00 C ATOM 880 NE ARG A 56 -2.920 7.743 -12.764 1.00 0.00 N ATOM 881 CZ ARG A 56 -2.448 7.113 -13.866 1.00 0.00 C ATOM 882 NH1 ARG A 56 -1.815 5.946 -13.772 1.00 0.00 N ATOM 883 NH2 ARG A 56 -2.625 7.675 -15.059 1.00 0.00 N ATOM 884 HA ARG A 56 -3.200 3.835 -8.695 1.00 0.00 H ATOM 885 HB2 ARG A 56 -4.755 5.168 -9.492 1.00 0.00 H ATOM 886 HB3 ARG A 56 -3.365 6.208 -9.101 1.00 0.00 H ATOM 887 HG2 ARG A 56 -3.639 5.293 -11.925 1.00 0.00 H ATOM 888 HG3 ARG A 56 -4.818 6.486 -11.330 1.00 0.00 H ATOM 889 HD2 ARG A 56 -1.790 6.803 -11.280 1.00 0.00 H ATOM 890 HD3 ARG A 56 -2.971 7.996 -10.691 1.00 0.00 H ATOM 891 HE ARG A 56 -3.395 8.660 -12.885 1.00 0.00 H ATOM 892 HH12 ARG A 56 -1.459 5.477 -14.629 1.00 0.00 H ATOM 893 HH11 ARG A 56 -1.676 5.503 -12.841 1.00 0.00 H ATOM 894 HH22 ARG A 56 -2.268 7.203 -15.914 1.00 0.00 H ATOM 895 HH21 ARG A 56 -3.120 8.586 -15.136 1.00 0.00 H ATOM 896 H ARG A 56 -1.069 4.625 -8.574 1.00 0.00 H ATOM 897 N GLU A 57 -2.570 1.882 -9.992 1.00 0.00 N ATOM 898 CA GLU A 57 -2.738 0.505 -10.426 1.00 0.00 C ATOM 899 C GLU A 57 -4.216 0.139 -10.177 1.00 0.00 C ATOM 900 O GLU A 57 -4.939 0.864 -9.502 1.00 0.00 O ATOM 901 CB GLU A 57 -1.771 -0.312 -9.541 1.00 0.00 C ATOM 902 CG GLU A 57 -1.869 -1.840 -9.576 1.00 0.00 C ATOM 903 CD GLU A 57 -1.474 -2.392 -10.937 1.00 0.00 C ATOM 904 OE1 GLU A 57 -2.319 -2.430 -11.827 1.00 0.00 O ATOM 905 OE2 GLU A 57 -0.316 -2.770 -11.086 1.00 0.00 O ATOM 906 HA GLU A 57 -2.518 0.321 -11.477 1.00 0.00 H ATOM 907 HB2 GLU A 57 -0.757 -0.047 -9.840 1.00 0.00 H ATOM 908 HB3 GLU A 57 -1.937 -0.001 -8.509 1.00 0.00 H ATOM 909 HG2 GLU A 57 -1.205 -2.255 -8.818 1.00 0.00 H ATOM 910 HG3 GLU A 57 -2.896 -2.135 -9.358 1.00 0.00 H ATOM 911 H GLU A 57 -1.945 2.042 -9.177 1.00 0.00 H ATOM 912 N LEU A 58 -4.636 -1.006 -10.745 1.00 0.00 N ATOM 913 CA LEU A 58 -6.018 -1.446 -10.589 1.00 0.00 C ATOM 914 C LEU A 58 -6.399 -1.558 -9.094 1.00 0.00 C ATOM 915 O LEU A 58 -7.186 -0.784 -8.567 1.00 0.00 O ATOM 916 CB LEU A 58 -6.195 -2.772 -11.355 1.00 0.00 C ATOM 917 CG LEU A 58 -7.605 -3.382 -11.266 1.00 0.00 C ATOM 918 CD1 LEU A 58 -8.683 -2.432 -11.804 1.00 0.00 C ATOM 919 CD2 LEU A 58 -7.656 -4.728 -12.000 1.00 0.00 C ATOM 920 HA LEU A 58 -6.702 -0.710 -11.012 1.00 0.00 H ATOM 921 HB2 LEU A 58 -5.969 -2.590 -12.406 1.00 0.00 H ATOM 922 HB3 LEU A 58 -5.486 -3.495 -10.952 1.00 0.00 H ATOM 923 HG LEU A 58 -7.820 -3.546 -10.210 1.00 0.00 H ATOM 924 HD21 LEU A 58 -7.400 -4.578 -13.049 1.00 0.00 H ATOM 925 HD22 LEU A 58 -6.943 -5.416 -11.545 1.00 0.00 H ATOM 926 HD23 LEU A 58 -8.661 -5.143 -11.926 1.00 0.00 H ATOM 927 HD11 LEU A 58 -8.675 -1.510 -11.223 1.00 0.00 H ATOM 928 HD12 LEU A 58 -8.477 -2.206 -12.850 1.00 0.00 H ATOM 929 HD13 LEU A 58 -9.660 -2.908 -11.720 1.00 0.00 H ATOM 930 H LEU A 58 -3.970 -1.582 -11.299 1.00 0.00 H ATOM 931 N ARG A 59 -5.804 -2.575 -8.455 1.00 0.00 N ATOM 932 CA ARG A 59 -6.001 -2.804 -7.027 1.00 0.00 C ATOM 933 C ARG A 59 -4.899 -1.979 -6.304 1.00 0.00 C ATOM 934 O ARG A 59 -3.776 -1.920 -6.790 1.00 0.00 O ATOM 935 CB ARG A 59 -5.894 -4.330 -6.830 1.00 0.00 C ATOM 936 CG ARG A 59 -6.182 -4.889 -5.425 1.00 0.00 C ATOM 937 CD ARG A 59 -7.581 -5.496 -5.207 1.00 0.00 C ATOM 938 NE ARG A 59 -8.595 -4.462 -4.997 1.00 0.00 N ATOM 939 CZ ARG A 59 -9.581 -4.544 -4.067 1.00 0.00 C ATOM 940 NH1 ARG A 59 -9.810 -5.642 -3.347 1.00 0.00 N ATOM 941 NH2 ARG A 59 -10.352 -3.486 -3.840 1.00 0.00 N ATOM 942 HA ARG A 59 -6.962 -2.486 -6.621 1.00 0.00 H ATOM 943 HB2 ARG A 59 -6.598 -4.798 -7.518 1.00 0.00 H ATOM 944 HB3 ARG A 59 -4.878 -4.623 -7.096 1.00 0.00 H ATOM 945 HG2 ARG A 59 -5.446 -5.666 -5.219 1.00 0.00 H ATOM 946 HG3 ARG A 59 -6.058 -4.075 -4.711 1.00 0.00 H ATOM 947 HD2 ARG A 59 -7.552 -6.145 -4.332 1.00 0.00 H ATOM 948 HD3 ARG A 59 -7.852 -6.083 -6.084 1.00 0.00 H ATOM 949 HE ARG A 59 -8.558 -3.613 -5.596 1.00 0.00 H ATOM 950 HH12 ARG A 59 -10.579 -5.654 -2.646 1.00 0.00 H ATOM 951 HH11 ARG A 59 -9.220 -6.487 -3.486 1.00 0.00 H ATOM 952 HH22 ARG A 59 -11.110 -3.538 -3.130 1.00 0.00 H ATOM 953 HH21 ARG A 59 -10.197 -2.606 -4.372 1.00 0.00 H ATOM 954 H ARG A 59 -5.186 -3.218 -8.991 1.00 0.00 H ATOM 955 N PRO A 61 -5.224 -1.333 -5.147 1.00 0.00 N ATOM 956 CA PRO A 61 -4.219 -0.574 -4.388 1.00 0.00 C ATOM 957 C PRO A 61 -3.184 -1.559 -3.830 1.00 0.00 C ATOM 958 O PRO A 61 -3.527 -2.683 -3.491 1.00 0.00 O ATOM 959 CB PRO A 61 -5.012 0.112 -3.274 1.00 0.00 C ATOM 960 CG PRO A 61 -6.217 -0.804 -3.085 1.00 0.00 C ATOM 961 CD PRO A 61 -6.524 -1.365 -4.476 1.00 0.00 C ATOM 962 HA PRO A 61 -3.675 0.159 -4.983 1.00 0.00 H ATOM 963 HD3 PRO A 61 -6.905 -2.384 -4.411 1.00 0.00 H ATOM 964 HD2 PRO A 61 -7.249 -0.740 -4.998 1.00 0.00 H ATOM 965 HG3 PRO A 61 -7.069 -0.240 -2.704 1.00 0.00 H ATOM 966 HG2 PRO A 61 -5.978 -1.611 -2.392 1.00 0.00 H ATOM 967 HB2 PRO A 61 -4.424 0.177 -2.359 1.00 0.00 H ATOM 968 HB3 PRO A 61 -5.325 1.112 -3.576 1.00 0.00 H ATOM 969 N TRP A 62 -1.913 -1.124 -3.825 1.00 0.00 N ATOM 970 CA TRP A 62 -0.814 -2.006 -3.440 1.00 0.00 C ATOM 971 C TRP A 62 0.081 -1.347 -2.376 1.00 0.00 C ATOM 972 O TRP A 62 -0.064 -0.180 -2.029 1.00 0.00 O ATOM 973 CB TRP A 62 -0.025 -2.332 -4.728 1.00 0.00 C ATOM 974 CG TRP A 62 0.572 -1.084 -5.336 1.00 0.00 C ATOM 975 CD1 TRP A 62 -0.054 -0.215 -6.231 1.00 0.00 C ATOM 976 CD2 TRP A 62 1.885 -0.548 -5.092 1.00 0.00 C ATOM 977 NE1 TRP A 62 0.793 0.799 -6.530 1.00 0.00 N ATOM 978 CE2 TRP A 62 1.991 0.641 -5.843 1.00 0.00 C ATOM 979 CE3 TRP A 62 2.933 -0.971 -4.324 1.00 0.00 C ATOM 980 CZ2 TRP A 62 3.142 1.380 -5.786 1.00 0.00 C ATOM 981 CZ3 TRP A 62 4.106 -0.229 -4.266 1.00 0.00 C ATOM 982 CH2 TRP A 62 4.209 0.954 -4.994 1.00 0.00 C ATOM 983 HA TRP A 62 -1.193 -2.922 -2.987 1.00 0.00 H ATOM 984 HB2 TRP A 62 0.778 -3.029 -4.486 1.00 0.00 H ATOM 985 HB3 TRP A 62 -0.699 -2.792 -5.451 1.00 0.00 H ATOM 986 HE1 TRP A 62 0.578 1.582 -7.180 1.00 0.00 H ATOM 987 HD1 TRP A 62 -1.063 -0.333 -6.626 1.00 0.00 H ATOM 988 HZ2 TRP A 62 3.225 2.303 -6.360 1.00 0.00 H ATOM 989 HH2 TRP A 62 5.122 1.547 -4.945 1.00 0.00 H ATOM 990 HZ3 TRP A 62 4.941 -0.571 -3.654 1.00 0.00 H ATOM 991 HE3 TRP A 62 2.848 -1.896 -3.754 1.00 0.00 H ATOM 992 H TRP A 62 -1.708 -0.142 -4.100 1.00 0.00 H ATOM 993 N CYS A 63 1.047 -2.174 -1.942 1.00 0.00 N ATOM 994 CA CYS A 63 2.113 -1.751 -1.044 1.00 0.00 C ATOM 995 C CYS A 63 3.249 -2.768 -1.217 1.00 0.00 C ATOM 996 O CYS A 63 3.086 -3.798 -1.865 1.00 0.00 O ATOM 997 CB CYS A 63 1.654 -1.558 0.414 1.00 0.00 C ATOM 998 SG CYS A 63 0.468 -2.770 1.040 1.00 0.00 S ATOM 999 HA CYS A 63 2.462 -0.752 -1.306 1.00 0.00 H ATOM 1000 HB2 CYS A 63 1.196 -0.572 0.492 1.00 0.00 H ATOM 1001 HB3 CYS A 63 2.538 -1.597 1.050 1.00 0.00 H ATOM 1002 HG CYS A 63 -0.251 -2.962 -0.122 1.00 0.00 H ATOM 1003 H CYS A 63 1.033 -3.163 -2.263 1.00 0.00 H ATOM 1004 N PHE A 64 4.418 -2.394 -0.662 1.00 0.00 N ATOM 1005 CA PHE A 64 5.582 -3.268 -0.737 1.00 0.00 C ATOM 1006 C PHE A 64 5.390 -4.410 0.265 1.00 0.00 C ATOM 1007 O PHE A 64 4.768 -4.215 1.298 1.00 0.00 O ATOM 1008 CB PHE A 64 6.849 -2.460 -0.436 1.00 0.00 C ATOM 1009 CG PHE A 64 7.116 -1.451 -1.523 1.00 0.00 C ATOM 1010 CD1 PHE A 64 7.555 -1.879 -2.772 1.00 0.00 C ATOM 1011 CD2 PHE A 64 6.924 -0.088 -1.308 1.00 0.00 C ATOM 1012 CE1 PHE A 64 7.792 -0.968 -3.791 1.00 0.00 C ATOM 1013 CE2 PHE A 64 7.173 0.827 -2.326 1.00 0.00 C ATOM 1014 CZ PHE A 64 7.610 0.383 -3.566 1.00 0.00 C ATOM 1015 HA PHE A 64 5.690 -3.690 -1.736 1.00 0.00 H ATOM 1016 HB2 PHE A 64 6.722 -1.938 0.512 1.00 0.00 H ATOM 1017 HB3 PHE A 64 7.698 -3.140 -0.364 1.00 0.00 H ATOM 1018 HD2 PHE A 64 6.577 0.264 -0.336 1.00 0.00 H ATOM 1019 HE2 PHE A 64 7.025 1.892 -2.150 1.00 0.00 H ATOM 1020 HZ PHE A 64 7.810 1.100 -4.362 1.00 0.00 H ATOM 1021 HE1 PHE A 64 8.122 -1.318 -4.769 1.00 0.00 H ATOM 1022 HD1 PHE A 64 7.715 -2.942 -2.952 1.00 0.00 H ATOM 1023 H PHE A 64 4.490 -1.477 -0.177 1.00 0.00 H ATOM 1024 N THR A 65 5.922 -5.599 -0.067 1.00 0.00 N ATOM 1025 CA THR A 65 5.716 -6.736 0.826 1.00 0.00 C ATOM 1026 C THR A 65 6.893 -6.827 1.807 1.00 0.00 C ATOM 1027 O THR A 65 7.898 -6.139 1.676 1.00 0.00 O ATOM 1028 CB THR A 65 5.525 -8.045 0.026 1.00 0.00 C ATOM 1029 OG1 THR A 65 6.708 -8.810 -0.062 1.00 0.00 O ATOM 1030 CG2 THR A 65 4.891 -7.844 -1.362 1.00 0.00 C ATOM 1031 HA THR A 65 4.800 -6.587 1.398 1.00 0.00 H ATOM 1032 HB THR A 65 4.804 -8.616 0.612 1.00 0.00 H ATOM 1033 HG1 THR A 65 7.410 -8.279 -0.514 1.00 0.00 H ATOM 1034 HG23 THR A 65 3.982 -7.251 -1.262 1.00 0.00 H ATOM 1035 HG21 THR A 65 5.596 -7.324 -2.010 1.00 0.00 H ATOM 1036 HG22 THR A 65 4.648 -8.815 -1.793 1.00 0.00 H ATOM 1037 H THR A 65 6.470 -5.707 -0.944 1.00 0.00 H ATOM 1038 N THR A 66 6.707 -7.730 2.785 1.00 0.00 N ATOM 1039 CA THR A 66 7.749 -7.990 3.765 1.00 0.00 C ATOM 1040 C THR A 66 8.697 -9.102 3.267 1.00 0.00 C ATOM 1041 O THR A 66 9.720 -9.372 3.885 1.00 0.00 O ATOM 1042 CB THR A 66 7.072 -8.375 5.092 1.00 0.00 C ATOM 1043 OG1 THR A 66 5.901 -9.130 4.827 1.00 0.00 O ATOM 1044 CG2 THR A 66 6.790 -7.143 5.973 1.00 0.00 C ATOM 1045 HA THR A 66 8.359 -7.100 3.916 1.00 0.00 H ATOM 1046 HB THR A 66 7.757 -8.998 5.667 1.00 0.00 H ATOM 1047 HG1 THR A 66 5.276 -8.588 4.283 1.00 0.00 H ATOM 1048 HG23 THR A 66 7.720 -6.601 6.145 1.00 0.00 H ATOM 1049 HG21 THR A 66 6.076 -6.492 5.468 1.00 0.00 H ATOM 1050 HG22 THR A 66 6.375 -7.468 6.927 1.00 0.00 H ATOM 1051 H THR A 66 5.807 -8.249 2.841 1.00 0.00 H ATOM 1052 N ASP A 67 8.312 -9.736 2.138 1.00 0.00 N ATOM 1053 CA ASP A 67 9.139 -10.803 1.591 1.00 0.00 C ATOM 1054 C ASP A 67 10.352 -10.181 0.855 1.00 0.00 C ATOM 1055 O ASP A 67 10.176 -9.367 -0.043 1.00 0.00 O ATOM 1056 CB ASP A 67 8.306 -11.649 0.619 1.00 0.00 C ATOM 1057 CG ASP A 67 9.176 -12.753 0.009 1.00 0.00 C ATOM 1058 OD1 ASP A 67 9.388 -13.768 0.664 1.00 0.00 O ATOM 1059 OD2 ASP A 67 9.657 -12.562 -1.105 1.00 0.00 O ATOM 1060 HA ASP A 67 9.499 -11.443 2.396 1.00 0.00 H ATOM 1061 HB2 ASP A 67 7.472 -12.101 1.156 1.00 0.00 H ATOM 1062 HB3 ASP A 67 7.921 -11.011 -0.177 1.00 0.00 H ATOM 1063 H ASP A 67 7.429 -9.463 1.661 1.00 0.00 H ATOM 1064 N PRO A 68 11.598 -10.595 1.230 1.00 0.00 N ATOM 1065 CA PRO A 68 12.805 -10.096 0.563 1.00 0.00 C ATOM 1066 C PRO A 68 12.958 -10.279 -0.963 1.00 0.00 C ATOM 1067 O PRO A 68 13.945 -9.837 -1.539 1.00 0.00 O ATOM 1068 CB PRO A 68 13.955 -10.835 1.268 1.00 0.00 C ATOM 1069 CG PRO A 68 13.387 -11.271 2.618 1.00 0.00 C ATOM 1070 CD PRO A 68 11.894 -11.475 2.362 1.00 0.00 C ATOM 1071 HA PRO A 68 12.778 -9.010 0.650 1.00 0.00 H ATOM 1072 HD3 PRO A 68 11.684 -12.514 2.109 1.00 0.00 H ATOM 1073 HD2 PRO A 68 11.309 -11.190 3.237 1.00 0.00 H ATOM 1074 HG3 PRO A 68 13.546 -10.499 3.370 1.00 0.00 H ATOM 1075 HG2 PRO A 68 13.851 -12.200 2.949 1.00 0.00 H ATOM 1076 HB2 PRO A 68 14.265 -11.703 0.686 1.00 0.00 H ATOM 1077 HB3 PRO A 68 14.807 -10.170 1.409 1.00 0.00 H ATOM 1078 N ASN A 69 11.984 -10.952 -1.600 1.00 0.00 N ATOM 1079 CA ASN A 69 12.043 -11.168 -3.047 1.00 0.00 C ATOM 1080 C ASN A 69 10.831 -10.529 -3.741 1.00 0.00 C ATOM 1081 O ASN A 69 10.914 -10.156 -4.905 1.00 0.00 O ATOM 1082 CB ASN A 69 12.135 -12.668 -3.389 1.00 0.00 C ATOM 1083 CG ASN A 69 13.448 -13.355 -2.960 1.00 0.00 C ATOM 1084 OD1 ASN A 69 13.564 -14.570 -3.022 1.00 0.00 O ATOM 1085 ND2 ASN A 69 14.445 -12.554 -2.555 1.00 0.00 N ATOM 1086 HA ASN A 69 12.948 -10.686 -3.417 1.00 0.00 H ATOM 1087 HB2 ASN A 69 11.309 -13.179 -2.895 1.00 0.00 H ATOM 1088 HB3 ASN A 69 12.034 -12.776 -4.469 1.00 0.00 H ATOM 1089 HD22 ASN A 69 14.302 -11.525 -2.518 1.00 0.00 H ATOM 1090 HD21 ASN A 69 15.361 -12.963 -2.279 1.00 0.00 H ATOM 1091 H ASN A 69 11.178 -11.324 -1.058 1.00 0.00 H ATOM 1092 N LYS A 70 9.715 -10.392 -2.998 1.00 0.00 N ATOM 1093 CA LYS A 70 8.530 -9.789 -3.598 1.00 0.00 C ATOM 1094 C LYS A 70 8.483 -8.299 -3.224 1.00 0.00 C ATOM 1095 O LYS A 70 8.105 -7.922 -2.123 1.00 0.00 O ATOM 1096 CB LYS A 70 7.256 -10.510 -3.120 1.00 0.00 C ATOM 1097 CG LYS A 70 6.012 -10.080 -3.916 1.00 0.00 C ATOM 1098 CD LYS A 70 5.913 -10.774 -5.285 1.00 0.00 C ATOM 1099 CE LYS A 70 4.986 -10.062 -6.279 1.00 0.00 C ATOM 1100 NZ LYS A 70 3.838 -9.420 -5.649 1.00 0.00 N ATOM 1101 HA LYS A 70 8.581 -9.888 -4.682 1.00 0.00 H ATOM 1102 HB2 LYS A 70 7.395 -11.585 -3.239 1.00 0.00 H ATOM 1103 HB3 LYS A 70 7.096 -10.280 -2.067 1.00 0.00 H ATOM 1104 HG2 LYS A 70 5.123 -10.327 -3.335 1.00 0.00 H ATOM 1105 HG3 LYS A 70 6.054 -9.002 -4.073 1.00 0.00 H ATOM 1106 HD2 LYS A 70 6.912 -10.820 -5.719 1.00 0.00 H ATOM 1107 HD3 LYS A 70 5.538 -11.786 -5.131 1.00 0.00 H ATOM 1108 HE2 LYS A 70 4.620 -10.797 -6.996 1.00 0.00 H ATOM 1109 HE3 LYS A 70 5.563 -9.300 -6.803 1.00 0.00 H ATOM 1110 HZ1 LYS A 70 3.271 -10.137 -5.153 1.00 0.00 H ATOM 1111 HZ2 LYS A 70 4.171 -8.707 -4.969 1.00 0.00 H ATOM 1112 HZ3 LYS A 70 3.256 -8.960 -6.378 1.00 0.00 H ATOM 1113 H LYS A 70 9.699 -10.712 -2.009 1.00 0.00 H ATOM 1114 N ARG A 71 8.863 -7.484 -4.229 1.00 0.00 N ATOM 1115 CA ARG A 71 8.851 -6.031 -4.075 1.00 0.00 C ATOM 1116 C ARG A 71 7.416 -5.525 -3.792 1.00 0.00 C ATOM 1117 O ARG A 71 7.017 -5.364 -2.648 1.00 0.00 O ATOM 1118 CB ARG A 71 9.526 -5.392 -5.311 1.00 0.00 C ATOM 1119 CG ARG A 71 9.454 -3.854 -5.395 1.00 0.00 C ATOM 1120 CD ARG A 71 10.266 -3.308 -6.576 1.00 0.00 C ATOM 1121 NE ARG A 71 9.759 -1.997 -6.980 1.00 0.00 N ATOM 1122 CZ ARG A 71 10.498 -1.044 -7.588 1.00 0.00 C ATOM 1123 NH1 ARG A 71 11.799 -1.223 -7.798 1.00 0.00 N ATOM 1124 NH2 ARG A 71 9.905 0.074 -7.985 1.00 0.00 N ATOM 1125 HA ARG A 71 9.432 -5.725 -3.205 1.00 0.00 H ATOM 1126 HB2 ARG A 71 10.578 -5.678 -5.303 1.00 0.00 H ATOM 1127 HB3 ARG A 71 9.047 -5.799 -6.202 1.00 0.00 H ATOM 1128 HG2 ARG A 71 8.413 -3.556 -5.515 1.00 0.00 H ATOM 1129 HG3 ARG A 71 9.848 -3.431 -4.471 1.00 0.00 H ATOM 1130 HD2 ARG A 71 10.188 -3.998 -7.416 1.00 0.00 H ATOM 1131 HD3 ARG A 71 11.311 -3.214 -6.281 1.00 0.00 H ATOM 1132 HE ARG A 71 8.760 -1.784 -6.786 1.00 0.00 H ATOM 1133 HH12 ARG A 71 12.357 -0.481 -8.267 1.00 0.00 H ATOM 1134 HH11 ARG A 71 12.259 -2.105 -7.493 1.00 0.00 H ATOM 1135 HH22 ARG A 71 10.459 0.818 -8.455 1.00 0.00 H ATOM 1136 HH21 ARG A 71 8.886 0.207 -7.827 1.00 0.00 H ATOM 1137 H ARG A 71 9.171 -7.898 -5.132 1.00 0.00 H ATOM 1138 N TRP A 72 6.679 -5.239 -4.881 1.00 0.00 N ATOM 1139 CA TRP A 72 5.322 -4.719 -4.751 1.00 0.00 C ATOM 1140 C TRP A 72 4.290 -5.854 -4.829 1.00 0.00 C ATOM 1141 O TRP A 72 4.542 -6.927 -5.378 1.00 0.00 O ATOM 1142 CB TRP A 72 5.065 -3.630 -5.808 1.00 0.00 C ATOM 1143 CG TRP A 72 5.078 -4.151 -7.230 1.00 0.00 C ATOM 1144 CD1 TRP A 72 6.202 -4.387 -8.027 1.00 0.00 C ATOM 1145 CD2 TRP A 72 3.930 -4.368 -8.070 1.00 0.00 C ATOM 1146 NE1 TRP A 72 5.801 -4.724 -9.278 1.00 0.00 N ATOM 1147 CE2 TRP A 72 4.413 -4.718 -9.353 1.00 0.00 C ATOM 1148 CE3 TRP A 72 2.586 -4.243 -7.847 1.00 0.00 C ATOM 1149 CZ2 TRP A 72 3.531 -4.922 -10.381 1.00 0.00 C ATOM 1150 CZ3 TRP A 72 1.688 -4.447 -8.891 1.00 0.00 C ATOM 1151 CH2 TRP A 72 2.161 -4.779 -10.159 1.00 0.00 C ATOM 1152 HA TRP A 72 5.214 -4.258 -3.769 1.00 0.00 H ATOM 1153 HB2 TRP A 72 4.090 -3.183 -5.613 1.00 0.00 H ATOM 1154 HB3 TRP A 72 5.838 -2.868 -5.713 1.00 0.00 H ATOM 1155 HE1 TRP A 72 6.439 -4.954 -10.066 1.00 0.00 H ATOM 1156 HD1 TRP A 72 7.238 -4.312 -7.695 1.00 0.00 H ATOM 1157 HZ2 TRP A 72 3.899 -5.195 -11.370 1.00 0.00 H ATOM 1158 HH2 TRP A 72 1.459 -4.927 -10.979 1.00 0.00 H ATOM 1159 HZ3 TRP A 72 0.617 -4.347 -8.717 1.00 0.00 H ATOM 1160 HE3 TRP A 72 2.219 -3.984 -6.854 1.00 0.00 H ATOM 1161 H TRP A 72 7.082 -5.391 -5.828 1.00 0.00 H ATOM 1162 N GLU A 73 3.090 -5.540 -4.302 1.00 0.00 N ATOM 1163 CA GLU A 73 1.990 -6.476 -4.458 1.00 0.00 C ATOM 1164 C GLU A 73 0.659 -5.786 -4.129 1.00 0.00 C ATOM 1165 O GLU A 73 0.559 -4.936 -3.252 1.00 0.00 O ATOM 1166 CB GLU A 73 2.165 -7.744 -3.609 1.00 0.00 C ATOM 1167 CG GLU A 73 1.211 -8.849 -4.097 1.00 0.00 C ATOM 1168 CD GLU A 73 1.488 -10.190 -3.428 1.00 0.00 C ATOM 1169 OE1 GLU A 73 2.560 -10.735 -3.666 1.00 0.00 O ATOM 1170 OE2 GLU A 73 0.625 -10.681 -2.704 1.00 0.00 O ATOM 1171 HA GLU A 73 1.985 -6.796 -5.500 1.00 0.00 H ATOM 1172 HB2 GLU A 73 3.194 -8.094 -3.693 1.00 0.00 H ATOM 1173 HB3 GLU A 73 1.945 -7.513 -2.567 1.00 0.00 H ATOM 1174 HG2 GLU A 73 0.186 -8.551 -3.875 1.00 0.00 H ATOM 1175 HG3 GLU A 73 1.329 -8.964 -5.175 1.00 0.00 H ATOM 1176 H GLU A 73 2.954 -4.644 -3.793 1.00 0.00 H ATOM 1177 N LEU A 74 -0.339 -6.221 -4.919 1.00 0.00 N ATOM 1178 CA LEU A 74 -1.708 -5.752 -4.796 1.00 0.00 C ATOM 1179 C LEU A 74 -2.295 -6.237 -3.460 1.00 0.00 C ATOM 1180 O LEU A 74 -2.117 -7.385 -3.082 1.00 0.00 O ATOM 1181 CB LEU A 74 -2.544 -6.354 -5.937 1.00 0.00 C ATOM 1182 CG LEU A 74 -2.010 -6.121 -7.363 1.00 0.00 C ATOM 1183 CD1 LEU A 74 -2.949 -6.776 -8.385 1.00 0.00 C ATOM 1184 CD2 LEU A 74 -1.826 -4.634 -7.687 1.00 0.00 C ATOM 1185 HA LEU A 74 -1.726 -4.663 -4.840 1.00 0.00 H ATOM 1186 HB2 LEU A 74 -2.604 -7.430 -5.775 1.00 0.00 H ATOM 1187 HB3 LEU A 74 -3.544 -5.924 -5.881 1.00 0.00 H ATOM 1188 HG LEU A 74 -1.024 -6.582 -7.420 1.00 0.00 H ATOM 1189 HD21 LEU A 74 -2.785 -4.123 -7.600 1.00 0.00 H ATOM 1190 HD22 LEU A 74 -1.115 -4.196 -6.987 1.00 0.00 H ATOM 1191 HD23 LEU A 74 -1.448 -4.529 -8.704 1.00 0.00 H ATOM 1192 HD11 LEU A 74 -3.004 -7.847 -8.191 1.00 0.00 H ATOM 1193 HD12 LEU A 74 -3.943 -6.338 -8.296 1.00 0.00 H ATOM 1194 HD13 LEU A 74 -2.564 -6.607 -9.391 1.00 0.00 H ATOM 1195 H LEU A 74 -0.120 -6.926 -5.652 1.00 0.00 H ATOM 1196 N CYS A 75 -2.992 -5.317 -2.787 1.00 0.00 N ATOM 1197 CA CYS A 75 -3.682 -5.585 -1.534 1.00 0.00 C ATOM 1198 C CYS A 75 -5.134 -5.944 -1.791 1.00 0.00 C ATOM 1199 O CYS A 75 -5.762 -5.343 -2.650 1.00 0.00 O ATOM 1200 CB CYS A 75 -3.697 -4.316 -0.700 1.00 0.00 C ATOM 1201 SG CYS A 75 -2.069 -3.844 -0.134 1.00 0.00 S ATOM 1202 HA CYS A 75 -3.167 -6.404 -1.031 1.00 0.00 H ATOM 1203 HB2 CYS A 75 -4.336 -4.477 0.169 1.00 0.00 H ATOM 1204 HB3 CYS A 75 -4.105 -3.506 -1.304 1.00 0.00 H ATOM 1205 HG CYS A 75 -0.872 -3.472 -0.712 1.00 0.00 H ATOM 1206 H CYS A 75 -3.044 -4.356 -3.181 1.00 0.00 H ATOM 1207 N ASP A 76 -5.669 -6.886 -0.983 1.00 0.00 N ATOM 1208 CA ASP A 76 -7.106 -7.120 -1.141 1.00 0.00 C ATOM 1209 C ASP A 76 -7.815 -6.236 -0.105 1.00 0.00 C ATOM 1210 O ASP A 76 -7.762 -6.446 1.100 1.00 0.00 O ATOM 1211 CB ASP A 76 -7.547 -8.586 -1.031 1.00 0.00 C ATOM 1212 CG ASP A 76 -9.005 -8.689 -1.530 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -9.292 -8.170 -2.615 1.00 0.00 O ATOM 1214 OD2 ASP A 76 -9.836 -9.256 -0.829 1.00 0.00 O ATOM 1215 HA ASP A 76 -7.383 -6.858 -2.162 1.00 0.00 H ATOM 1216 HB2 ASP A 76 -6.901 -9.213 -1.645 1.00 0.00 H ATOM 1217 HB3 ASP A 76 -7.488 -8.913 0.007 1.00 0.00 H ATOM 1218 H ASP A 76 -5.096 -7.412 -0.292 1.00 0.00 H ATOM 1219 N ILE A 77 -8.439 -5.204 -0.688 1.00 0.00 N ATOM 1220 CA ILE A 77 -9.132 -4.162 0.046 1.00 0.00 C ATOM 1221 C ILE A 77 -10.654 -4.337 -0.178 1.00 0.00 C ATOM 1222 O ILE A 77 -11.091 -4.566 -1.308 1.00 0.00 O ATOM 1223 CB ILE A 77 -8.616 -2.830 -0.522 1.00 0.00 C ATOM 1224 CG1 ILE A 77 -7.095 -2.666 -0.372 1.00 0.00 C ATOM 1225 CG2 ILE A 77 -9.323 -1.607 0.044 1.00 0.00 C ATOM 1226 CD1 ILE A 77 -6.558 -2.867 1.043 1.00 0.00 C ATOM 1227 HA ILE A 77 -8.953 -4.199 1.121 1.00 0.00 H ATOM 1228 HB ILE A 77 -8.856 -2.885 -1.584 1.00 0.00 H ATOM 1229 HG12 ILE A 77 -6.611 -3.393 -1.024 1.00 0.00 H ATOM 1230 HG13 ILE A 77 -6.830 -1.659 -0.694 1.00 0.00 H ATOM 1231 HD11 ILE A 77 -7.018 -2.139 1.711 1.00 0.00 H ATOM 1232 HD12 ILE A 77 -6.798 -3.875 1.381 1.00 0.00 H ATOM 1233 HD13 ILE A 77 -5.477 -2.730 1.043 1.00 0.00 H ATOM 1234 HG21 ILE A 77 -10.387 -1.666 -0.184 1.00 0.00 H ATOM 1235 HG22 ILE A 77 -9.182 -1.575 1.124 1.00 0.00 H ATOM 1236 HG23 ILE A 77 -8.904 -0.706 -0.405 1.00 0.00 H ATOM 1237 H ILE A 77 -8.426 -5.146 -1.726 1.00 0.00 H ATOM 1238 N PRO A 78 -11.441 -4.228 0.935 1.00 0.00 N ATOM 1239 CA PRO A 78 -12.865 -4.551 0.923 1.00 0.00 C ATOM 1240 C PRO A 78 -13.722 -3.599 0.069 1.00 0.00 C ATOM 1241 O PRO A 78 -13.682 -2.376 0.181 1.00 0.00 O ATOM 1242 CB PRO A 78 -13.290 -4.492 2.398 1.00 0.00 C ATOM 1243 CG PRO A 78 -12.256 -3.586 3.064 1.00 0.00 C ATOM 1244 CD PRO A 78 -10.977 -3.807 2.258 1.00 0.00 C ATOM 1245 HA PRO A 78 -13.023 -5.527 0.463 1.00 0.00 H ATOM 1246 HD3 PRO A 78 -10.402 -2.884 2.188 1.00 0.00 H ATOM 1247 HD2 PRO A 78 -10.363 -4.583 2.715 1.00 0.00 H ATOM 1248 HG3 PRO A 78 -12.109 -3.870 4.106 1.00 0.00 H ATOM 1249 HG2 PRO A 78 -12.568 -2.543 3.014 1.00 0.00 H ATOM 1250 HB2 PRO A 78 -14.290 -4.069 2.493 1.00 0.00 H ATOM 1251 HB3 PRO A 78 -13.273 -5.487 2.843 1.00 0.00 H ATOM 1252 N ARG A 79 -14.500 -4.275 -0.791 1.00 0.00 N ATOM 1253 CA ARG A 79 -15.439 -3.604 -1.669 1.00 0.00 C ATOM 1254 C ARG A 79 -16.610 -3.060 -0.827 1.00 0.00 C ATOM 1255 O ARG A 79 -17.127 -3.765 0.029 1.00 0.00 O ATOM 1256 CB ARG A 79 -15.954 -4.655 -2.675 1.00 0.00 C ATOM 1257 CG ARG A 79 -16.386 -4.043 -4.010 1.00 0.00 C ATOM 1258 CD ARG A 79 -15.172 -3.815 -4.918 1.00 0.00 C ATOM 1259 NE ARG A 79 -15.495 -2.893 -5.992 1.00 0.00 N ATOM 1260 CZ ARG A 79 -16.122 -3.209 -7.139 1.00 0.00 C ATOM 1261 NH1 ARG A 79 -16.526 -4.454 -7.370 1.00 0.00 N ATOM 1262 NH2 ARG A 79 -16.321 -2.240 -8.025 1.00 0.00 N ATOM 1263 HA ARG A 79 -14.970 -2.772 -2.195 1.00 0.00 H ATOM 1264 HB2 ARG A 79 -15.158 -5.375 -2.864 1.00 0.00 H ATOM 1265 HB3 ARG A 79 -16.809 -5.168 -2.235 1.00 0.00 H ATOM 1266 HG2 ARG A 79 -17.082 -4.719 -4.506 1.00 0.00 H ATOM 1267 HG3 ARG A 79 -16.879 -3.089 -3.824 1.00 0.00 H ATOM 1268 HD2 ARG A 79 -14.862 -4.768 -5.346 1.00 0.00 H ATOM 1269 HD3 ARG A 79 -14.355 -3.402 -4.326 1.00 0.00 H ATOM 1270 HE ARG A 79 -15.217 -1.899 -5.863 1.00 0.00 H ATOM 1271 HH12 ARG A 79 -17.010 -4.687 -8.261 1.00 0.00 H ATOM 1272 HH11 ARG A 79 -16.358 -5.195 -6.660 1.00 0.00 H ATOM 1273 HH22 ARG A 79 -16.803 -2.447 -8.923 1.00 0.00 H ATOM 1274 HH21 ARG A 79 -15.995 -1.274 -7.821 1.00 0.00 H ATOM 1275 H ARG A 79 -14.427 -5.312 -0.829 1.00 0.00 H ATOM 1276 N CYS A 80 -17.023 -1.809 -1.106 1.00 0.00 N ATOM 1277 CA CYS A 80 -18.199 -1.305 -0.391 1.00 0.00 C ATOM 1278 C CYS A 80 -19.456 -2.041 -0.893 1.00 0.00 C ATOM 1279 O CYS A 80 -19.912 -1.812 -2.006 1.00 0.00 O ATOM 1280 CB CYS A 80 -18.408 0.194 -0.628 1.00 0.00 C ATOM 1281 SG CYS A 80 -17.119 1.266 0.045 1.00 0.00 S ATOM 1282 HA CYS A 80 -18.034 -1.477 0.673 1.00 0.00 H ATOM 1283 HB2 CYS A 80 -19.356 0.479 -0.172 1.00 0.00 H ATOM 1284 HB3 CYS A 80 -18.459 0.362 -1.704 1.00 0.00 H ATOM 1285 HG CYS A 80 -15.904 1.797 -0.339 1.00 0.00 H ATOM 1286 H CYS A 80 -16.525 -1.221 -1.804 1.00 0.00 H ATOM 1287 N THR A 81 -19.986 -2.906 -0.013 1.00 0.00 N ATOM 1288 CA THR A 81 -21.193 -3.666 -0.311 1.00 0.00 C ATOM 1289 C THR A 81 -22.186 -3.456 0.845 1.00 0.00 C ATOM 1290 O THR A 81 -23.266 -2.915 0.619 1.00 0.00 O ATOM 1291 CB THR A 81 -20.815 -5.155 -0.435 1.00 0.00 C ATOM 1292 OG1 THR A 81 -20.112 -5.599 0.713 1.00 0.00 O ATOM 1293 CG2 THR A 81 -19.916 -5.419 -1.648 1.00 0.00 C ATOM 1294 HA THR A 81 -21.650 -3.338 -1.245 1.00 0.00 H ATOM 1295 OXT THR A 81 -21.851 -3.847 1.966 1.00 0.00 O ATOM 1296 HB THR A 81 -21.755 -5.695 -0.546 1.00 0.00 H ATOM 1297 HG1 THR A 81 -20.682 -5.482 1.514 1.00 0.00 H ATOM 1298 HG23 THR A 81 -20.424 -5.089 -2.554 1.00 0.00 H ATOM 1299 HG21 THR A 81 -18.982 -4.869 -1.533 1.00 0.00 H ATOM 1300 HG22 THR A 81 -19.704 -6.486 -1.716 1.00 0.00 H ATOM 1301 H THR A 81 -19.521 -3.037 0.908 1.00 0.00 H TER 1302 THR A 81 HETATM 1303 C1 AMH A 1 5.633 -0.356 -9.044 1.00 0.01 C HETATM 1304 C2 AMH A 1 5.073 0.789 -9.892 1.00 -0.04 C HETATM 1305 C3 AMH A 1 3.984 0.253 -10.818 1.00 -0.04 C HETATM 1306 C4 AMH A 1 2.772 -0.312 -10.049 1.00 -0.00 C HETATM 1307 C5 AMH A 1 3.275 -1.320 -9.014 1.00 -0.04 C HETATM 1308 C6 AMH A 1 4.474 -0.842 -8.173 1.00 -0.04 C HETATM 1309 H9 AMH A 1 4.146 -0.015 -7.526 1.00 0.03 H HETATM 1310 H10 AMH A 1 4.825 -1.678 -7.550 1.00 0.03 H HETATM 1311 H7 AMH A 1 3.574 -2.236 -9.546 1.00 0.03 H HETATM 1312 H8 AMH A 1 2.446 -1.548 -8.328 1.00 0.03 H HETATM 1313 C7 AMH A 1 1.766 -0.996 -11.017 1.00 -0.03 C HETATM 1314 N AMH A 1 2.475 -1.789 -12.024 1.00 0.22 N HETATM 1315 H13 AMH A 1 1.807 -2.224 -12.641 1.00 0.20 H HETATM 1316 H14 AMH A 1 3.023 -2.501 -11.567 1.00 0.20 H HETATM 1317 H15 AMH A 1 3.083 -1.188 -12.558 1.00 0.20 H HETATM 1318 H11 AMH A 1 1.168 -0.223 -11.522 1.00 0.08 H HETATM 1319 H12 AMH A 1 1.101 -1.656 -10.440 1.00 0.08 H HETATM 1320 H6 AMH A 1 2.260 0.512 -9.532 1.00 0.04 H HETATM 1321 H4 AMH A 1 4.412 -0.549 -11.437 1.00 0.03 H HETATM 1322 H5 AMH A 1 3.639 1.072 -11.466 1.00 0.03 H HETATM 1323 H2 AMH A 1 5.882 1.229 -10.494 1.00 0.03 H HETATM 1324 H3 AMH A 1 4.647 1.559 -9.232 1.00 0.03 H HETATM 1325 C8 AMH A 1 6.866 0.082 -8.209 1.00 0.04 C HETATM 1326 O1 AMH A 1 7.463 1.118 -8.498 1.00 -0.57 O HETATM 1327 O2 AMH A 1 7.265 -0.627 -7.287 1.00 -0.57 O HETATM 1328 H1 AMH A 1 5.950 -1.174 -9.708 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 63 62 67 1281 CONECT 358 357 362 998 CONECT 803 802 807 1201 CONECT 998 358 997 1002 CONECT 1201 803 1200 1205 CONECT 1281 63 1280 1285 CONECT 1303 1304 1308 1325 1328 CONECT 1304 1303 1305 1323 1324 CONECT 1305 1304 1306 1321 1322 CONECT 1306 1305 1307 1313 1320 CONECT 1307 1306 1308 1311 1312 CONECT 1308 1303 1307 1309 1310 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1307 CONECT 1312 1307 CONECT 1313 1306 1314 1318 1319 CONECT 1314 1313 1315 1316 1317 CONECT 1315 1314 CONECT 1316 1314 CONECT 1317 1314 CONECT 1318 1313 CONECT 1319 1313 CONECT 1320 1306 CONECT 1321 1305 CONECT 1322 1305 CONECT 1323 1304 CONECT 1324 1304 CONECT 1325 1303 1326 1327 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1303 MASTER 0 0 0 0 0 0 0 0 1327 1 36 7 END
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Related entries of code: 1b2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ceb
RCSB PDB
PDBbind
AMH
6nmb
RCSB PDB
PDBbind
AMH
Entry Information
PDB ID
1b2i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
kringle 2 (K2) domain of human plasminogen (Pgn)
Ligand Name
AMH
EC.Number
E.C.3.4.21.7
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=3.1uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J. Med. Chem., Vol.56, pp.3273-3280
Ligand Properties
Formula
C
8
H
1
6
NO
2
Molecular Weight
158.218
Exact Mass
158.118
No. of atoms
27
No. of bonds
27
Polar Surface Area
64.94
LOGP Value
-0.80 (
Computed with XLOGP3
)
0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
[NH3+]C[C@@H]1CC[C@H](CC1)C(=O)O
InChI String
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/p+1/t6-,7-
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):
P00747
Entrez Gene ID
NCBI Entrez Gene ID:
5340
ASD
Information of known allosteric effects of PDB entries
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