diff --git "a/1b2i/1b2i_protein_processed_fix.pdb" "b/1b2i/1b2i_protein_processed_fix.pdb" new file mode 100644--- /dev/null +++ "b/1b2i/1b2i_protein_processed_fix.pdb" @@ -0,0 +1,1310 @@ +REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20 +ATOM 1 N THR A 1 -8.427 4.974 7.773 1.00 0.00 N +ATOM 2 CA THR A 1 -8.533 6.228 8.489 1.00 0.00 C +ATOM 3 C THR A 1 -8.802 7.369 7.480 1.00 0.00 C +ATOM 4 O THR A 1 -8.240 8.454 7.582 1.00 0.00 O +ATOM 5 CB THR A 1 -7.248 6.476 9.313 1.00 0.00 C +ATOM 6 OG1 THR A 1 -7.284 7.736 9.948 1.00 0.00 O +ATOM 7 CG2 THR A 1 -5.947 6.336 8.504 1.00 0.00 C +ATOM 8 H THR A 1 -7.912 4.412 8.232 1.00 0.00 H +ATOM 9 H2 THR A 1 -9.237 4.619 7.674 1.00 0.00 H +ATOM 10 H3 THR A 1 -8.067 5.119 6.972 1.00 0.00 H +ATOM 11 HA THR A 1 -9.275 6.196 9.113 1.00 0.00 H +ATOM 12 HB THR A 1 -7.236 5.773 9.981 1.00 0.00 H +ATOM 13 HG1 THR A 1 -7.477 8.328 9.385 1.00 0.00 H +ATOM 14 HG21 THR A 1 -5.187 6.504 9.082 1.00 0.00 H +ATOM 15 HG22 THR A 1 -5.885 5.438 8.143 1.00 0.00 H +ATOM 16 HG23 THR A 1 -5.948 6.977 7.776 1.00 0.00 H +ATOM 17 N SER A 2 -9.681 7.050 6.516 1.00 0.00 N +ATOM 18 CA SER A 2 -10.077 7.977 5.466 1.00 0.00 C +ATOM 19 C SER A 2 -11.320 7.385 4.785 1.00 0.00 C +ATOM 20 O SER A 2 -12.423 7.911 4.866 1.00 0.00 O +ATOM 21 CB SER A 2 -8.906 8.197 4.495 1.00 0.00 C +ATOM 22 OG SER A 2 -8.326 6.956 4.094 1.00 0.00 O +ATOM 23 H SER A 2 -10.062 6.281 6.461 1.00 0.00 H +ATOM 24 HA SER A 2 -10.301 8.853 5.818 1.00 0.00 H +ATOM 25 HB2 SER A 2 -9.218 8.679 3.713 1.00 0.00 H +ATOM 26 HB3 SER A 2 -8.231 8.750 4.919 1.00 0.00 H +ATOM 27 HG SER A 2 -8.605 6.750 3.329 1.00 0.00 H +ATOM 28 N GLU A 3 -11.052 6.229 4.162 1.00 0.00 N +ATOM 29 CA GLU A 3 -12.065 5.408 3.515 1.00 0.00 C +ATOM 30 C GLU A 3 -11.643 3.954 3.790 1.00 0.00 C +ATOM 31 O GLU A 3 -10.529 3.557 3.472 1.00 0.00 O +ATOM 32 CB GLU A 3 -12.183 5.772 2.018 1.00 0.00 C +ATOM 33 CG GLU A 3 -10.844 5.765 1.257 1.00 0.00 C +ATOM 34 CD GLU A 3 -10.940 6.320 -0.176 1.00 0.00 C +ATOM 35 OE1 GLU A 3 -11.483 7.412 -0.345 1.00 0.00 O +ATOM 36 OE2 GLU A 3 -10.444 5.679 -1.107 1.00 0.00 O +ATOM 37 H GLU A 3 -10.259 5.901 4.107 1.00 0.00 H +ATOM 38 HA GLU A 3 -12.959 5.553 3.861 1.00 0.00 H +ATOM 39 HB2 GLU A 3 -12.789 5.147 1.591 1.00 0.00 H +ATOM 40 HB3 GLU A 3 -12.583 6.652 1.940 1.00 0.00 H +ATOM 41 HG2 GLU A 3 -10.196 6.288 1.755 1.00 0.00 H +ATOM 42 HG3 GLU A 3 -10.507 4.856 1.221 1.00 0.00 H +ATOM 43 N GLU A 4 -12.560 3.203 4.442 1.00 0.00 N +ATOM 44 CA GLU A 4 -12.227 1.836 4.862 1.00 0.00 C +ATOM 45 C GLU A 4 -12.754 0.764 3.881 1.00 0.00 C +ATOM 46 O GLU A 4 -12.211 -0.331 3.820 1.00 0.00 O +ATOM 47 CB GLU A 4 -12.700 1.579 6.306 1.00 0.00 C +ATOM 48 CG GLU A 4 -12.523 2.768 7.278 1.00 0.00 C +ATOM 49 CD GLU A 4 -11.107 3.372 7.300 1.00 0.00 C +ATOM 50 OE1 GLU A 4 -10.178 2.772 7.830 1.00 0.00 O +ATOM 51 OE2 GLU A 4 -10.920 4.476 6.803 1.00 0.00 O +ATOM 52 H GLU A 4 -13.355 3.464 4.642 1.00 0.00 H +ATOM 53 HA GLU A 4 -11.260 1.758 4.844 1.00 0.00 H +ATOM 54 HB2 GLU A 4 -13.638 1.334 6.285 1.00 0.00 H +ATOM 55 HB3 GLU A 4 -12.215 0.816 6.659 1.00 0.00 H +ATOM 56 HG2 GLU A 4 -13.155 3.464 7.038 1.00 0.00 H +ATOM 57 HG3 GLU A 4 -12.751 2.475 8.174 1.00 0.00 H +ATOM 58 N CYS A 5 -13.800 1.128 3.104 1.00 0.00 N +ATOM 59 CA CYS A 5 -14.319 0.268 2.035 1.00 0.00 C +ATOM 60 C CYS A 5 -14.287 1.161 0.802 1.00 0.00 C +ATOM 61 O CYS A 5 -14.473 2.368 0.920 1.00 0.00 O +ATOM 62 CB CYS A 5 -15.733 -0.273 2.291 1.00 0.00 C +ATOM 63 SG CYS A 5 -17.098 0.907 2.067 1.00 0.00 S +ATOM 64 H CYS A 5 -14.218 1.875 3.188 1.00 0.00 H +ATOM 65 HA CYS A 5 -13.784 -0.536 1.951 1.00 0.00 H +ATOM 66 HB2 CYS A 5 -15.882 -1.027 1.700 1.00 0.00 H +ATOM 67 HB3 CYS A 5 -15.770 -0.613 3.199 1.00 0.00 H +ATOM 68 N MET A 6 -13.969 0.540 -0.350 1.00 0.00 N +ATOM 69 CA MET A 6 -13.780 1.320 -1.568 1.00 0.00 C +ATOM 70 C MET A 6 -14.630 0.752 -2.700 1.00 0.00 C +ATOM 71 O MET A 6 -15.083 -0.386 -2.702 1.00 0.00 O +ATOM 72 CB MET A 6 -12.296 1.295 -1.994 1.00 0.00 C +ATOM 73 CG MET A 6 -11.413 2.334 -1.284 1.00 0.00 C +ATOM 74 SD MET A 6 -11.660 2.446 0.493 1.00 0.00 S +ATOM 75 CE MET A 6 -11.062 0.816 0.938 1.00 0.00 C +ATOM 76 H MET A 6 -13.863 -0.309 -0.438 1.00 0.00 H +ATOM 77 HA MET A 6 -14.051 2.234 -1.387 1.00 0.00 H +ATOM 78 HB2 MET A 6 -11.937 0.410 -1.823 1.00 0.00 H +ATOM 79 HB3 MET A 6 -12.243 1.442 -2.951 1.00 0.00 H +ATOM 80 HG2 MET A 6 -10.483 2.120 -1.456 1.00 0.00 H +ATOM 81 HG3 MET A 6 -11.581 3.205 -1.677 1.00 0.00 H +ATOM 82 HE1 MET A 6 -11.125 0.699 1.899 1.00 0.00 H +ATOM 83 HE2 MET A 6 -11.600 0.142 0.495 1.00 0.00 H +ATOM 84 HE3 MET A 6 -10.137 0.724 0.661 1.00 0.00 H +ATOM 85 N HIS A 7 -14.763 1.656 -3.689 1.00 0.00 N +ATOM 86 CA HIS A 7 -15.465 1.351 -4.926 1.00 0.00 C +ATOM 87 C HIS A 7 -14.640 0.394 -5.810 1.00 0.00 C +ATOM 88 O HIS A 7 -15.183 -0.259 -6.696 1.00 0.00 O +ATOM 89 CB HIS A 7 -15.783 2.653 -5.673 1.00 0.00 C +ATOM 90 CG HIS A 7 -16.748 3.521 -4.888 1.00 0.00 C +ATOM 91 ND1 HIS A 7 -17.202 3.255 -3.640 1.00 0.00 N +ATOM 92 CD2 HIS A 7 -17.330 4.728 -5.311 1.00 0.00 C +ATOM 93 CE1 HIS A 7 -18.028 4.265 -3.320 1.00 0.00 C +ATOM 94 NE2 HIS A 7 -18.125 5.168 -4.310 1.00 0.00 N +ATOM 95 H HIS A 7 -14.447 2.455 -3.651 1.00 0.00 H +ATOM 96 HA HIS A 7 -16.297 0.902 -4.711 1.00 0.00 H +ATOM 97 HB2 HIS A 7 -14.962 3.144 -5.834 1.00 0.00 H +ATOM 98 HB3 HIS A 7 -16.165 2.445 -6.540 1.00 0.00 H +ATOM 99 HD1 HIS A 7 -17.002 2.576 -3.151 1.00 0.00 H +ATOM 100 HD2 HIS A 7 -17.193 5.147 -6.130 1.00 0.00 H +ATOM 101 HE1 HIS A 7 -18.479 4.331 -2.509 1.00 0.00 H +ATOM 102 HE2 HIS A 7 -18.600 5.885 -4.307 1.00 0.00 H +ATOM 103 N GLY A 8 -13.319 0.312 -5.521 1.00 0.00 N +ATOM 104 CA GLY A 8 -12.507 -0.632 -6.284 1.00 0.00 C +ATOM 105 C GLY A 8 -10.987 -0.490 -6.067 1.00 0.00 C +ATOM 106 O GLY A 8 -10.347 -1.373 -5.498 1.00 0.00 O +ATOM 107 H GLY A 8 -12.905 0.770 -4.922 1.00 0.00 H +ATOM 108 HA2 GLY A 8 -12.773 -1.534 -6.048 1.00 0.00 H +ATOM 109 HA3 GLY A 8 -12.700 -0.517 -7.228 1.00 0.00 H +ATOM 110 N SER A 9 -10.448 0.632 -6.594 1.00 0.00 N +ATOM 111 CA SER A 9 -9.002 0.824 -6.685 1.00 0.00 C +ATOM 112 C SER A 9 -8.359 1.608 -5.527 1.00 0.00 C +ATOM 113 O SER A 9 -7.141 1.681 -5.438 1.00 0.00 O +ATOM 114 CB SER A 9 -8.778 1.577 -7.999 1.00 0.00 C +ATOM 115 OG SER A 9 -9.738 2.629 -8.061 1.00 0.00 O +ATOM 116 H SER A 9 -10.912 1.287 -6.901 1.00 0.00 H +ATOM 117 HA SER A 9 -8.576 -0.047 -6.641 1.00 0.00 H +ATOM 118 HB2 SER A 9 -7.877 1.935 -8.038 1.00 0.00 H +ATOM 119 HB3 SER A 9 -8.878 0.979 -8.756 1.00 0.00 H +ATOM 120 HG SER A 9 -9.636 3.060 -8.774 1.00 0.00 H +ATOM 121 N GLY A 10 -9.203 2.170 -4.643 1.00 0.00 N +ATOM 122 CA GLY A 10 -8.673 2.869 -3.470 1.00 0.00 C +ATOM 123 C GLY A 10 -7.586 3.915 -3.780 1.00 0.00 C +ATOM 124 O GLY A 10 -6.465 3.868 -3.285 1.00 0.00 O +ATOM 125 H GLY A 10 -10.061 2.156 -4.705 1.00 0.00 H +ATOM 126 HA2 GLY A 10 -9.406 3.309 -3.012 1.00 0.00 H +ATOM 127 HA3 GLY A 10 -8.308 2.213 -2.856 1.00 0.00 H +ATOM 128 N GLU A 11 -8.010 4.884 -4.611 1.00 0.00 N +ATOM 129 CA GLU A 11 -7.106 5.972 -4.977 1.00 0.00 C +ATOM 130 C GLU A 11 -6.636 6.713 -3.710 1.00 0.00 C +ATOM 131 O GLU A 11 -5.452 6.790 -3.399 1.00 0.00 O +ATOM 132 CB GLU A 11 -7.823 6.898 -5.980 1.00 0.00 C +ATOM 133 CG GLU A 11 -7.019 8.141 -6.412 1.00 0.00 C +ATOM 134 CD GLU A 11 -7.019 9.232 -5.326 1.00 0.00 C +ATOM 135 OE1 GLU A 11 -8.092 9.743 -5.011 1.00 0.00 O +ATOM 136 OE2 GLU A 11 -5.956 9.536 -4.788 1.00 0.00 O +ATOM 137 H GLU A 11 -8.795 4.924 -4.961 1.00 0.00 H +ATOM 138 HA GLU A 11 -6.309 5.627 -5.409 1.00 0.00 H +ATOM 139 HB2 GLU A 11 -8.047 6.383 -6.771 1.00 0.00 H +ATOM 140 HB3 GLU A 11 -8.660 7.192 -5.587 1.00 0.00 H +ATOM 141 HG2 GLU A 11 -6.105 7.882 -6.609 1.00 0.00 H +ATOM 142 HG3 GLU A 11 -7.395 8.500 -7.231 1.00 0.00 H +ATOM 143 N ASN A 12 -7.648 7.213 -2.982 1.00 0.00 N +ATOM 144 CA ASN A 12 -7.394 8.018 -1.792 1.00 0.00 C +ATOM 145 C ASN A 12 -7.129 7.152 -0.547 1.00 0.00 C +ATOM 146 O ASN A 12 -6.479 7.603 0.388 1.00 0.00 O +ATOM 147 CB ASN A 12 -8.629 8.908 -1.577 1.00 0.00 C +ATOM 148 CG ASN A 12 -8.579 9.660 -0.237 1.00 0.00 C +ATOM 149 OD1 ASN A 12 -7.572 10.261 0.121 1.00 0.00 O +ATOM 150 ND2 ASN A 12 -9.695 9.565 0.496 1.00 0.00 N +ATOM 151 H ASN A 12 -8.480 7.095 -3.165 1.00 0.00 H +ATOM 152 HA ASN A 12 -6.594 8.550 -1.924 1.00 0.00 H +ATOM 153 HB2 ASN A 12 -8.694 9.548 -2.303 1.00 0.00 H +ATOM 154 HB3 ASN A 12 -9.429 8.361 -1.609 1.00 0.00 H +ATOM 155 HD21 ASN A 12 -9.735 9.939 1.269 1.00 0.00 H +ATOM 156 HD22 ASN A 12 -10.372 9.130 0.194 1.00 0.00 H +ATOM 157 N TYR A 13 -7.642 5.912 -0.616 1.00 0.00 N +ATOM 158 CA TYR A 13 -7.595 4.912 0.444 1.00 0.00 C +ATOM 159 C TYR A 13 -6.318 4.883 1.295 1.00 0.00 C +ATOM 160 O TYR A 13 -5.247 4.536 0.825 1.00 0.00 O +ATOM 161 CB TYR A 13 -7.787 3.517 -0.192 1.00 0.00 C +ATOM 162 CG TYR A 13 -7.486 2.390 0.759 1.00 0.00 C +ATOM 163 CD1 TYR A 13 -8.394 2.058 1.742 1.00 0.00 C +ATOM 164 CD2 TYR A 13 -6.283 1.699 0.703 1.00 0.00 C +ATOM 165 CE1 TYR A 13 -8.111 1.074 2.673 1.00 0.00 C +ATOM 166 CE2 TYR A 13 -5.967 0.751 1.667 1.00 0.00 C +ATOM 167 CZ TYR A 13 -6.875 0.451 2.676 1.00 0.00 C +ATOM 168 OH TYR A 13 -6.575 -0.417 3.708 1.00 0.00 O +ATOM 169 H TYR A 13 -8.045 5.626 -1.320 1.00 0.00 H +ATOM 170 HA TYR A 13 -8.304 5.160 1.057 1.00 0.00 H +ATOM 171 HB2 TYR A 13 -8.701 3.433 -0.506 1.00 0.00 H +ATOM 172 HB3 TYR A 13 -7.212 3.440 -0.969 1.00 0.00 H +ATOM 173 HD1 TYR A 13 -9.210 2.503 1.780 1.00 0.00 H +ATOM 174 HD2 TYR A 13 -5.683 1.873 0.014 1.00 0.00 H +ATOM 175 HE1 TYR A 13 -8.754 0.830 3.299 1.00 0.00 H +ATOM 176 HE2 TYR A 13 -5.146 0.316 1.638 1.00 0.00 H +ATOM 177 HH TYR A 13 -6.027 -0.053 4.230 1.00 0.00 H +ATOM 178 N ASP A 14 -6.572 5.142 2.589 1.00 0.00 N +ATOM 179 CA ASP A 14 -5.619 4.915 3.666 1.00 0.00 C +ATOM 180 C ASP A 14 -6.500 4.451 4.836 1.00 0.00 C +ATOM 181 O ASP A 14 -6.739 5.160 5.807 1.00 0.00 O +ATOM 182 CB ASP A 14 -4.686 6.094 4.036 1.00 0.00 C +ATOM 183 CG ASP A 14 -4.852 7.376 3.226 1.00 0.00 C +ATOM 184 OD1 ASP A 14 -5.893 8.015 3.315 1.00 0.00 O +ATOM 185 OD2 ASP A 14 -3.924 7.779 2.526 1.00 0.00 O +ATOM 186 H ASP A 14 -7.323 5.461 2.861 1.00 0.00 H +ATOM 187 HA ASP A 14 -4.956 4.263 3.390 1.00 0.00 H +ATOM 188 HB2 ASP A 14 -4.823 6.307 4.972 1.00 0.00 H +ATOM 189 HB3 ASP A 14 -3.768 5.794 3.945 1.00 0.00 H +ATOM 190 N GLY A 15 -7.025 3.229 4.648 1.00 0.00 N +ATOM 191 CA GLY A 15 -7.958 2.680 5.618 1.00 0.00 C +ATOM 192 C GLY A 15 -7.222 2.150 6.848 1.00 0.00 C +ATOM 193 O GLY A 15 -6.893 2.892 7.769 1.00 0.00 O +ATOM 194 H GLY A 15 -6.853 2.719 3.977 1.00 0.00 H +ATOM 195 HA2 GLY A 15 -8.591 3.364 5.886 1.00 0.00 H +ATOM 196 HA3 GLY A 15 -8.470 1.964 5.210 1.00 0.00 H +ATOM 197 N LYS A 16 -7.007 0.822 6.776 1.00 0.00 N +ATOM 198 CA LYS A 16 -6.333 0.064 7.832 1.00 0.00 C +ATOM 199 C LYS A 16 -5.802 -1.296 7.315 1.00 0.00 C +ATOM 200 O LYS A 16 -5.063 -1.978 8.015 1.00 0.00 O +ATOM 201 CB LYS A 16 -7.267 -0.243 9.026 1.00 0.00 C +ATOM 202 CG LYS A 16 -7.661 0.955 9.908 1.00 0.00 C +ATOM 203 CD LYS A 16 -6.479 1.706 10.554 1.00 0.00 C +ATOM 204 CE LYS A 16 -5.541 0.827 11.390 1.00 0.00 C +ATOM 205 NZ LYS A 16 -6.240 0.021 12.387 1.00 0.00 N +ATOM 206 H LYS A 16 -7.252 0.341 6.107 1.00 0.00 H +ATOM 207 HA LYS A 16 -5.601 0.631 8.119 1.00 0.00 H +ATOM 208 HB2 LYS A 16 -8.079 -0.648 8.682 1.00 0.00 H +ATOM 209 HB3 LYS A 16 -6.836 -0.906 9.588 1.00 0.00 H +ATOM 210 HG2 LYS A 16 -8.170 1.582 9.370 1.00 0.00 H +ATOM 211 HG3 LYS A 16 -8.251 0.641 10.612 1.00 0.00 H +ATOM 212 HD2 LYS A 16 -5.962 2.134 9.854 1.00 0.00 H +ATOM 213 HD3 LYS A 16 -6.830 2.412 11.119 1.00 0.00 H +ATOM 214 HE2 LYS A 16 -5.046 0.240 10.798 1.00 0.00 H +ATOM 215 HE3 LYS A 16 -4.892 1.392 11.837 1.00 0.00 H +ATOM 216 HZ1 LYS A 16 -5.649 -0.456 12.851 1.00 0.00 H +ATOM 217 HZ2 LYS A 16 -6.688 0.555 12.940 1.00 0.00 H +ATOM 218 HZ3 LYS A 16 -6.809 -0.528 11.979 1.00 0.00 H +ATOM 219 N ILE A 17 -6.226 -1.684 6.096 1.00 0.00 N +ATOM 220 CA ILE A 17 -5.825 -2.970 5.540 1.00 0.00 C +ATOM 221 C ILE A 17 -4.480 -2.777 4.823 1.00 0.00 C +ATOM 222 O ILE A 17 -4.272 -1.792 4.116 1.00 0.00 O +ATOM 223 CB ILE A 17 -6.893 -3.508 4.560 1.00 0.00 C +ATOM 224 CG1 ILE A 17 -8.343 -3.396 5.092 1.00 0.00 C +ATOM 225 CG2 ILE A 17 -6.586 -4.960 4.147 1.00 0.00 C +ATOM 226 CD1 ILE A 17 -9.094 -2.132 4.637 1.00 0.00 C +ATOM 227 H ILE A 17 -6.740 -1.216 5.589 1.00 0.00 H +ATOM 228 HA ILE A 17 -5.735 -3.623 6.251 1.00 0.00 H +ATOM 229 HB ILE A 17 -6.842 -2.934 3.780 1.00 0.00 H +ATOM 230 HG12 ILE A 17 -8.842 -4.176 4.804 1.00 0.00 H +ATOM 231 HG13 ILE A 17 -8.322 -3.415 6.062 1.00 0.00 H +ATOM 232 HG21 ILE A 17 -7.269 -5.273 3.534 1.00 0.00 H +ATOM 233 HG22 ILE A 17 -5.720 -4.997 3.712 1.00 0.00 H +ATOM 234 HG23 ILE A 17 -6.576 -5.525 4.935 1.00 0.00 H +ATOM 235 HD11 ILE A 17 -9.990 -2.136 5.010 1.00 0.00 H +ATOM 236 HD12 ILE A 17 -8.619 -1.345 4.946 1.00 0.00 H +ATOM 237 HD13 ILE A 17 -9.147 -2.118 3.669 1.00 0.00 H +ATOM 238 N SER A 18 -3.598 -3.768 5.065 1.00 0.00 N +ATOM 239 CA SER A 18 -2.270 -3.765 4.464 1.00 0.00 C +ATOM 240 C SER A 18 -1.792 -5.206 4.189 1.00 0.00 C +ATOM 241 O SER A 18 -0.681 -5.591 4.527 1.00 0.00 O +ATOM 242 CB SER A 18 -1.316 -3.032 5.417 1.00 0.00 C +ATOM 243 OG SER A 18 -0.096 -2.708 4.795 1.00 0.00 O +ATOM 244 H SER A 18 -3.759 -4.443 5.573 1.00 0.00 H +ATOM 245 HA SER A 18 -2.290 -3.307 3.609 1.00 0.00 H +ATOM 246 HB2 SER A 18 -1.740 -2.221 5.737 1.00 0.00 H +ATOM 247 HB3 SER A 18 -1.145 -3.588 6.193 1.00 0.00 H +ATOM 248 HG SER A 18 -0.243 -2.227 4.122 1.00 0.00 H +ATOM 249 N LYS A 19 -2.708 -6.005 3.607 1.00 0.00 N +ATOM 250 CA LYS A 19 -2.400 -7.408 3.335 1.00 0.00 C +ATOM 251 C LYS A 19 -2.451 -7.634 1.817 1.00 0.00 C +ATOM 252 O LYS A 19 -3.464 -7.397 1.163 1.00 0.00 O +ATOM 253 CB LYS A 19 -3.407 -8.316 4.068 1.00 0.00 C +ATOM 254 CG LYS A 19 -2.983 -8.677 5.504 1.00 0.00 C +ATOM 255 CD LYS A 19 -3.036 -7.509 6.498 1.00 0.00 C +ATOM 256 CE LYS A 19 -2.558 -7.915 7.895 1.00 0.00 C +ATOM 257 NZ LYS A 19 -2.289 -6.759 8.743 1.00 0.00 N +ATOM 258 H LYS A 19 -3.495 -5.753 3.369 1.00 0.00 H +ATOM 259 HA LYS A 19 -1.513 -7.629 3.658 1.00 0.00 H +ATOM 260 HB2 LYS A 19 -4.269 -7.873 4.096 1.00 0.00 H +ATOM 261 HB3 LYS A 19 -3.524 -9.133 3.559 1.00 0.00 H +ATOM 262 HG2 LYS A 19 -3.556 -9.389 5.829 1.00 0.00 H +ATOM 263 HG3 LYS A 19 -2.079 -9.028 5.483 1.00 0.00 H +ATOM 264 HD2 LYS A 19 -2.486 -6.781 6.169 1.00 0.00 H +ATOM 265 HD3 LYS A 19 -3.945 -7.175 6.554 1.00 0.00 H +ATOM 266 HE2 LYS A 19 -3.231 -8.473 8.316 1.00 0.00 H +ATOM 267 HE3 LYS A 19 -1.753 -8.451 7.817 1.00 0.00 H +ATOM 268 HZ1 LYS A 19 -1.667 -6.970 9.344 1.00 0.00 H +ATOM 269 HZ2 LYS A 19 -2.000 -6.083 8.241 1.00 0.00 H +ATOM 270 HZ3 LYS A 19 -3.036 -6.518 9.162 1.00 0.00 H +ATOM 271 N THR A 20 -1.296 -8.108 1.308 1.00 0.00 N +ATOM 272 CA THR A 20 -1.167 -8.390 -0.108 1.00 0.00 C +ATOM 273 C THR A 20 -1.994 -9.647 -0.429 1.00 0.00 C +ATOM 274 O THR A 20 -1.900 -10.679 0.227 1.00 0.00 O +ATOM 275 CB THR A 20 0.301 -8.411 -0.561 1.00 0.00 C +ATOM 276 OG1 THR A 20 1.012 -9.594 -0.219 1.00 0.00 O +ATOM 277 CG2 THR A 20 1.086 -7.225 0.008 1.00 0.00 C +ATOM 278 H THR A 20 -0.590 -8.267 1.773 1.00 0.00 H +ATOM 279 HA THR A 20 -1.539 -7.671 -0.643 1.00 0.00 H +ATOM 280 HB THR A 20 0.240 -8.364 -1.528 1.00 0.00 H +ATOM 281 HG1 THR A 20 0.472 -10.233 -0.143 1.00 0.00 H +ATOM 282 HG21 THR A 20 2.006 -7.269 -0.297 1.00 0.00 H +ATOM 283 HG22 THR A 20 0.685 -6.396 -0.295 1.00 0.00 H +ATOM 284 HG23 THR A 20 1.065 -7.258 0.977 1.00 0.00 H +ATOM 285 N MET A 21 -2.849 -9.442 -1.448 1.00 0.00 N +ATOM 286 CA MET A 21 -3.876 -10.360 -1.917 1.00 0.00 C +ATOM 287 C MET A 21 -3.394 -11.814 -2.077 1.00 0.00 C +ATOM 288 O MET A 21 -4.166 -12.753 -1.936 1.00 0.00 O +ATOM 289 CB MET A 21 -4.470 -9.783 -3.226 1.00 0.00 C +ATOM 290 CG MET A 21 -3.640 -10.018 -4.497 1.00 0.00 C +ATOM 291 SD MET A 21 -4.486 -9.365 -5.951 1.00 0.00 S +ATOM 292 CE MET A 21 -5.572 -10.760 -6.297 1.00 0.00 C +ATOM 293 H MET A 21 -2.834 -8.714 -1.905 1.00 0.00 H +ATOM 294 HA MET A 21 -4.565 -10.424 -1.237 1.00 0.00 H +ATOM 295 HB2 MET A 21 -5.350 -10.168 -3.359 1.00 0.00 H +ATOM 296 HB3 MET A 21 -4.593 -8.828 -3.112 1.00 0.00 H +ATOM 297 HG2 MET A 21 -2.773 -9.593 -4.405 1.00 0.00 H +ATOM 298 HG3 MET A 21 -3.479 -10.968 -4.611 1.00 0.00 H +ATOM 299 HE1 MET A 21 -6.114 -10.563 -7.077 1.00 0.00 H +ATOM 300 HE2 MET A 21 -5.038 -11.552 -6.466 1.00 0.00 H +ATOM 301 HE3 MET A 21 -6.150 -10.917 -5.534 1.00 0.00 H +ATOM 302 N SER A 22 -2.094 -11.942 -2.392 1.00 0.00 N +ATOM 303 CA SER A 22 -1.502 -13.248 -2.624 1.00 0.00 C +ATOM 304 C SER A 22 -0.211 -13.438 -1.810 1.00 0.00 C +ATOM 305 O SER A 22 0.690 -14.133 -2.264 1.00 0.00 O +ATOM 306 CB SER A 22 -1.217 -13.329 -4.134 1.00 0.00 C +ATOM 307 OG SER A 22 -0.771 -12.091 -4.662 1.00 0.00 O +ATOM 308 H SER A 22 -1.549 -11.282 -2.473 1.00 0.00 H +ATOM 309 HA SER A 22 -2.104 -13.953 -2.339 1.00 0.00 H +ATOM 310 HB2 SER A 22 -0.546 -14.010 -4.299 1.00 0.00 H +ATOM 311 HB3 SER A 22 -2.022 -13.606 -4.599 1.00 0.00 H +ATOM 312 HG SER A 22 -0.625 -12.174 -5.485 1.00 0.00 H +ATOM 313 N GLY A 23 -0.132 -12.811 -0.610 1.00 0.00 N +ATOM 314 CA GLY A 23 1.144 -12.994 0.081 1.00 0.00 C +ATOM 315 C GLY A 23 1.192 -12.636 1.572 1.00 0.00 C +ATOM 316 O GLY A 23 1.000 -13.499 2.419 1.00 0.00 O +ATOM 317 H GLY A 23 -0.734 -12.332 -0.225 1.00 0.00 H +ATOM 318 HA2 GLY A 23 1.406 -13.923 -0.014 1.00 0.00 H +ATOM 319 HA3 GLY A 23 1.813 -12.462 -0.378 1.00 0.00 H +ATOM 320 N LEU A 24 1.599 -11.376 1.852 1.00 0.00 N +ATOM 321 CA LEU A 24 1.997 -11.028 3.220 1.00 0.00 C +ATOM 322 C LEU A 24 1.470 -9.655 3.668 1.00 0.00 C +ATOM 323 O LEU A 24 0.865 -8.905 2.920 1.00 0.00 O +ATOM 324 CB LEU A 24 3.550 -10.954 3.253 1.00 0.00 C +ATOM 325 CG LEU A 24 4.312 -12.082 2.519 1.00 0.00 C +ATOM 326 CD1 LEU A 24 4.646 -11.709 1.061 1.00 0.00 C +ATOM 327 CD2 LEU A 24 5.613 -12.428 3.255 1.00 0.00 C +ATOM 328 H LEU A 24 1.648 -10.735 1.280 1.00 0.00 H +ATOM 329 HA LEU A 24 1.629 -11.701 3.814 1.00 0.00 H +ATOM 330 HB2 LEU A 24 3.821 -10.105 2.870 1.00 0.00 H +ATOM 331 HB3 LEU A 24 3.834 -10.950 4.181 1.00 0.00 H +ATOM 332 HG LEU A 24 3.722 -12.852 2.510 1.00 0.00 H +ATOM 333 HD11 LEU A 24 5.122 -12.442 0.640 1.00 0.00 H +ATOM 334 HD12 LEU A 24 3.825 -11.536 0.575 1.00 0.00 H +ATOM 335 HD13 LEU A 24 5.202 -10.914 1.049 1.00 0.00 H +ATOM 336 HD21 LEU A 24 6.075 -13.136 2.780 1.00 0.00 H +ATOM 337 HD22 LEU A 24 6.181 -11.642 3.296 1.00 0.00 H +ATOM 338 HD23 LEU A 24 5.407 -12.724 4.155 1.00 0.00 H +ATOM 339 N GLU A 25 1.821 -9.360 4.937 1.00 0.00 N +ATOM 340 CA GLU A 25 1.607 -8.036 5.512 1.00 0.00 C +ATOM 341 C GLU A 25 2.615 -7.114 4.801 1.00 0.00 C +ATOM 342 O GLU A 25 3.774 -7.485 4.629 1.00 0.00 O +ATOM 343 CB GLU A 25 1.921 -8.121 7.019 1.00 0.00 C +ATOM 344 CG GLU A 25 1.924 -6.785 7.797 1.00 0.00 C +ATOM 345 CD GLU A 25 0.547 -6.431 8.362 1.00 0.00 C +ATOM 346 OE1 GLU A 25 0.128 -7.047 9.342 1.00 0.00 O +ATOM 347 OE2 GLU A 25 -0.130 -5.549 7.832 1.00 0.00 O +ATOM 348 H GLU A 25 2.186 -9.923 5.475 1.00 0.00 H +ATOM 349 HA GLU A 25 0.701 -7.708 5.402 1.00 0.00 H +ATOM 350 HB2 GLU A 25 1.272 -8.712 7.432 1.00 0.00 H +ATOM 351 HB3 GLU A 25 2.791 -8.537 7.125 1.00 0.00 H +ATOM 352 HG2 GLU A 25 2.564 -6.839 8.524 1.00 0.00 H +ATOM 353 HG3 GLU A 25 2.222 -6.073 7.209 1.00 0.00 H +ATOM 354 N CYS A 26 2.148 -5.932 4.375 1.00 0.00 N +ATOM 355 CA CYS A 26 3.090 -5.050 3.701 1.00 0.00 C +ATOM 356 C CYS A 26 4.095 -4.435 4.684 1.00 0.00 C +ATOM 357 O CYS A 26 3.860 -4.251 5.872 1.00 0.00 O +ATOM 358 CB CYS A 26 2.386 -3.920 2.958 1.00 0.00 C +ATOM 359 SG CYS A 26 1.570 -4.429 1.433 1.00 0.00 S +ATOM 360 H CYS A 26 1.343 -5.642 4.461 1.00 0.00 H +ATOM 361 HA CYS A 26 3.561 -5.607 3.061 1.00 0.00 H +ATOM 362 HB2 CYS A 26 1.727 -3.521 3.547 1.00 0.00 H +ATOM 363 HB3 CYS A 26 3.035 -3.230 2.750 1.00 0.00 H +ATOM 364 N GLN A 27 5.220 -4.107 4.039 1.00 0.00 N +ATOM 365 CA GLN A 27 6.354 -3.412 4.597 1.00 0.00 C +ATOM 366 C GLN A 27 6.023 -1.928 4.391 1.00 0.00 C +ATOM 367 O GLN A 27 5.617 -1.518 3.311 1.00 0.00 O +ATOM 368 CB GLN A 27 7.581 -3.883 3.797 1.00 0.00 C +ATOM 369 CG GLN A 27 8.878 -3.089 4.038 1.00 0.00 C +ATOM 370 CD GLN A 27 9.331 -2.387 2.755 1.00 0.00 C +ATOM 371 OE1 GLN A 27 10.283 -2.763 2.077 1.00 0.00 O +ATOM 372 NE2 GLN A 27 8.530 -1.371 2.454 1.00 0.00 N +ATOM 373 H GLN A 27 5.336 -4.303 3.210 1.00 0.00 H +ATOM 374 HA GLN A 27 6.538 -3.574 5.536 1.00 0.00 H +ATOM 375 HB2 GLN A 27 7.747 -4.815 4.009 1.00 0.00 H +ATOM 376 HB3 GLN A 27 7.366 -3.841 2.852 1.00 0.00 H +ATOM 377 HG2 GLN A 27 8.735 -2.433 4.738 1.00 0.00 H +ATOM 378 HG3 GLN A 27 9.576 -3.687 4.348 1.00 0.00 H +ATOM 379 HE21 GLN A 27 7.881 -1.165 2.979 1.00 0.00 H +ATOM 380 HE22 GLN A 27 8.661 -0.919 1.734 1.00 0.00 H +ATOM 381 N ALA A 28 6.175 -1.164 5.484 1.00 0.00 N +ATOM 382 CA ALA A 28 5.796 0.246 5.463 1.00 0.00 C +ATOM 383 C ALA A 28 6.510 1.058 4.361 1.00 0.00 C +ATOM 384 O ALA A 28 7.574 0.695 3.889 1.00 0.00 O +ATOM 385 CB ALA A 28 6.038 0.832 6.855 1.00 0.00 C +ATOM 386 H ALA A 28 6.491 -1.443 6.233 1.00 0.00 H +ATOM 387 HA ALA A 28 4.854 0.306 5.238 1.00 0.00 H +ATOM 388 HB1 ALA A 28 5.791 1.770 6.859 1.00 0.00 H +ATOM 389 HB2 ALA A 28 5.500 0.354 7.506 1.00 0.00 H +ATOM 390 HB3 ALA A 28 6.976 0.744 7.085 1.00 0.00 H +ATOM 391 N TRP A 29 5.853 2.172 3.986 1.00 0.00 N +ATOM 392 CA TRP A 29 6.323 3.085 2.950 1.00 0.00 C +ATOM 393 C TRP A 29 7.578 3.884 3.369 1.00 0.00 C +ATOM 394 O TRP A 29 8.118 4.643 2.575 1.00 0.00 O +ATOM 395 CB TRP A 29 5.214 4.093 2.603 1.00 0.00 C +ATOM 396 CG TRP A 29 3.997 3.427 1.992 1.00 0.00 C +ATOM 397 CD1 TRP A 29 2.809 3.109 2.656 1.00 0.00 C +ATOM 398 CD2 TRP A 29 3.807 3.034 0.616 1.00 0.00 C +ATOM 399 NE1 TRP A 29 1.933 2.558 1.783 1.00 0.00 N +ATOM 400 CE2 TRP A 29 2.503 2.493 0.520 1.00 0.00 C +ATOM 401 CE3 TRP A 29 4.600 3.110 -0.498 1.00 0.00 C +ATOM 402 CZ2 TRP A 29 2.034 2.045 -0.683 1.00 0.00 C +ATOM 403 CZ3 TRP A 29 4.121 2.656 -1.728 1.00 0.00 C +ATOM 404 CH2 TRP A 29 2.835 2.121 -1.820 1.00 0.00 C +ATOM 405 H TRP A 29 5.108 2.414 4.340 1.00 0.00 H +ATOM 406 HA TRP A 29 6.556 2.533 2.187 1.00 0.00 H +ATOM 407 HB2 TRP A 29 4.950 4.569 3.406 1.00 0.00 H +ATOM 408 HB3 TRP A 29 5.563 4.753 1.984 1.00 0.00 H +ATOM 409 HD1 TRP A 29 2.645 3.254 3.560 1.00 0.00 H +ATOM 410 HE1 TRP A 29 1.141 2.288 1.982 1.00 0.00 H +ATOM 411 HE3 TRP A 29 5.458 3.464 -0.435 1.00 0.00 H +ATOM 412 HZ2 TRP A 29 1.177 1.688 -0.743 1.00 0.00 H +ATOM 413 HZ3 TRP A 29 4.658 2.710 -2.485 1.00 0.00 H +ATOM 414 HH2 TRP A 29 2.514 1.816 -2.638 1.00 0.00 H +ATOM 415 N ASP A 30 8.001 3.711 4.635 1.00 0.00 N +ATOM 416 CA ASP A 30 9.187 4.407 5.117 1.00 0.00 C +ATOM 417 C ASP A 30 10.438 3.633 4.623 1.00 0.00 C +ATOM 418 O ASP A 30 10.456 3.124 3.510 1.00 0.00 O +ATOM 419 CB ASP A 30 9.075 4.596 6.649 1.00 0.00 C +ATOM 420 CG ASP A 30 8.688 3.314 7.408 1.00 0.00 C +ATOM 421 OD1 ASP A 30 9.262 2.265 7.142 1.00 0.00 O +ATOM 422 OD2 ASP A 30 7.792 3.374 8.249 1.00 0.00 O +ATOM 423 H ASP A 30 7.617 3.203 5.213 1.00 0.00 H +ATOM 424 HA ASP A 30 9.271 5.305 4.759 1.00 0.00 H +ATOM 425 HB2 ASP A 30 9.924 4.919 6.989 1.00 0.00 H +ATOM 426 HB3 ASP A 30 8.415 5.283 6.834 1.00 0.00 H +ATOM 427 N SER A 31 11.483 3.573 5.471 1.00 0.00 N +ATOM 428 CA SER A 31 12.709 2.865 5.106 1.00 0.00 C +ATOM 429 C SER A 31 13.097 2.008 6.305 1.00 0.00 C +ATOM 430 O SER A 31 13.225 2.494 7.422 1.00 0.00 O +ATOM 431 CB SER A 31 13.805 3.870 4.730 1.00 0.00 C +ATOM 432 OG SER A 31 14.956 3.189 4.244 1.00 0.00 O +ATOM 433 H SER A 31 11.495 3.934 6.252 1.00 0.00 H +ATOM 434 HA SER A 31 12.581 2.298 4.329 1.00 0.00 H +ATOM 435 HB2 SER A 31 13.474 4.481 4.053 1.00 0.00 H +ATOM 436 HB3 SER A 31 14.041 4.405 5.504 1.00 0.00 H +ATOM 437 HG SER A 31 15.548 3.749 4.040 1.00 0.00 H +ATOM 438 N GLN A 32 13.194 0.701 6.004 1.00 0.00 N +ATOM 439 CA GLN A 32 13.384 -0.297 7.036 1.00 0.00 C +ATOM 440 C GLN A 32 14.190 -1.506 6.514 1.00 0.00 C +ATOM 441 O GLN A 32 15.384 -1.641 6.743 1.00 0.00 O +ATOM 442 CB GLN A 32 11.993 -0.614 7.654 1.00 0.00 C +ATOM 443 CG GLN A 32 10.766 -0.955 6.750 1.00 0.00 C +ATOM 444 CD GLN A 32 10.813 -0.508 5.276 1.00 0.00 C +ATOM 445 OE1 GLN A 32 11.498 -1.102 4.457 1.00 0.00 O +ATOM 446 NE2 GLN A 32 10.077 0.559 4.984 1.00 0.00 N +ATOM 447 H GLN A 32 13.151 0.385 5.205 1.00 0.00 H +ATOM 448 HA GLN A 32 13.941 0.032 7.758 1.00 0.00 H +ATOM 449 HB2 GLN A 32 12.116 -1.362 8.259 1.00 0.00 H +ATOM 450 HB3 GLN A 32 11.742 0.151 8.195 1.00 0.00 H +ATOM 451 HG2 GLN A 32 10.642 -1.917 6.766 1.00 0.00 H +ATOM 452 HG3 GLN A 32 9.978 -0.561 7.156 1.00 0.00 H +ATOM 453 HE21 GLN A 32 9.612 0.941 5.598 1.00 0.00 H +ATOM 454 HE22 GLN A 32 10.066 0.867 4.181 1.00 0.00 H +ATOM 455 N SER A 33 13.437 -2.374 5.828 1.00 0.00 N +ATOM 456 CA SER A 33 13.857 -3.641 5.262 1.00 0.00 C +ATOM 457 C SER A 33 12.535 -4.301 4.834 1.00 0.00 C +ATOM 458 O SER A 33 11.562 -4.138 5.561 1.00 0.00 O +ATOM 459 CB SER A 33 14.487 -4.507 6.367 1.00 0.00 C +ATOM 460 OG SER A 33 13.691 -4.523 7.542 1.00 0.00 O +ATOM 461 H SER A 33 12.606 -2.216 5.675 1.00 0.00 H +ATOM 462 HA SER A 33 14.499 -3.539 4.542 1.00 0.00 H +ATOM 463 HB2 SER A 33 14.602 -5.414 6.042 1.00 0.00 H +ATOM 464 HB3 SER A 33 15.371 -4.168 6.579 1.00 0.00 H +ATOM 465 HG SER A 33 13.780 -3.795 7.951 1.00 0.00 H +ATOM 466 N PRO A 34 12.509 -5.063 3.704 1.00 0.00 N +ATOM 467 CA PRO A 34 13.690 -5.506 2.959 1.00 0.00 C +ATOM 468 C PRO A 34 14.428 -4.508 2.048 1.00 0.00 C +ATOM 469 O PRO A 34 15.514 -4.818 1.577 1.00 0.00 O +ATOM 470 CB PRO A 34 13.168 -6.660 2.081 1.00 0.00 C +ATOM 471 CG PRO A 34 11.807 -7.042 2.663 1.00 0.00 C +ATOM 472 CD PRO A 34 11.288 -5.745 3.278 1.00 0.00 C +ATOM 473 HA PRO A 34 14.367 -5.711 3.623 1.00 0.00 H +ATOM 474 HB2 PRO A 34 13.085 -6.383 1.155 1.00 0.00 H +ATOM 475 HB3 PRO A 34 13.778 -7.414 2.098 1.00 0.00 H +ATOM 476 HG2 PRO A 34 11.208 -7.374 1.976 1.00 0.00 H +ATOM 477 HG3 PRO A 34 11.890 -7.742 3.329 1.00 0.00 H +ATOM 478 HD2 PRO A 34 10.790 -5.218 2.634 1.00 0.00 H +ATOM 479 HD3 PRO A 34 10.694 -5.916 4.026 1.00 0.00 H +ATOM 480 N HIS A 35 13.833 -3.315 1.814 1.00 0.00 N +ATOM 481 CA HIS A 35 14.536 -2.401 0.906 1.00 0.00 C +ATOM 482 C HIS A 35 14.005 -0.962 0.989 1.00 0.00 C +ATOM 483 O HIS A 35 12.813 -0.723 1.110 1.00 0.00 O +ATOM 484 CB HIS A 35 14.444 -2.894 -0.558 1.00 0.00 C +ATOM 485 CG HIS A 35 13.022 -3.167 -1.021 1.00 0.00 C +ATOM 486 ND1 HIS A 35 11.888 -2.853 -0.350 1.00 0.00 N +ATOM 487 CD2 HIS A 35 12.647 -3.795 -2.222 1.00 0.00 C +ATOM 488 CE1 HIS A 35 10.871 -3.278 -1.115 1.00 0.00 C +ATOM 489 NE2 HIS A 35 11.297 -3.850 -2.254 1.00 0.00 N +ATOM 490 H HIS A 35 13.087 -3.040 2.143 1.00 0.00 H +ATOM 491 HA HIS A 35 15.463 -2.396 1.192 1.00 0.00 H +ATOM 492 HB2 HIS A 35 14.844 -2.229 -1.141 1.00 0.00 H +ATOM 493 HB3 HIS A 35 14.968 -3.705 -0.652 1.00 0.00 H +ATOM 494 HD1 HIS A 35 11.831 -2.460 0.413 1.00 0.00 H +ATOM 495 HD2 HIS A 35 13.224 -4.115 -2.877 1.00 0.00 H +ATOM 496 HE1 HIS A 35 9.975 -3.187 -0.884 1.00 0.00 H +ATOM 497 HE2 HIS A 35 10.809 -4.184 -2.878 1.00 0.00 H +ATOM 498 N ALA A 36 14.975 -0.028 0.880 1.00 0.00 N +ATOM 499 CA ALA A 36 14.687 1.405 0.844 1.00 0.00 C +ATOM 500 C ALA A 36 14.217 1.800 -0.575 1.00 0.00 C +ATOM 501 O ALA A 36 14.942 2.390 -1.365 1.00 0.00 O +ATOM 502 CB ALA A 36 15.950 2.178 1.238 1.00 0.00 C +ATOM 503 H ALA A 36 15.812 -0.218 0.826 1.00 0.00 H +ATOM 504 HA ALA A 36 13.980 1.622 1.471 1.00 0.00 H +ATOM 505 HB1 ALA A 36 15.767 3.130 1.216 1.00 0.00 H +ATOM 506 HB2 ALA A 36 16.221 1.921 2.133 1.00 0.00 H +ATOM 507 HB3 ALA A 36 16.663 1.972 0.614 1.00 0.00 H +ATOM 508 N HIS A 37 12.968 1.393 -0.833 1.00 0.00 N +ATOM 509 CA HIS A 37 12.293 1.615 -2.112 1.00 0.00 C +ATOM 510 C HIS A 37 11.895 3.103 -2.310 1.00 0.00 C +ATOM 511 O HIS A 37 12.119 3.957 -1.462 1.00 0.00 O +ATOM 512 CB HIS A 37 11.051 0.707 -2.111 1.00 0.00 C +ATOM 513 CG HIS A 37 10.247 1.033 -0.874 1.00 0.00 C +ATOM 514 ND1 HIS A 37 9.618 2.205 -0.668 1.00 0.00 N +ATOM 515 CD2 HIS A 37 10.069 0.242 0.267 1.00 0.00 C +ATOM 516 CE1 HIS A 37 9.079 2.139 0.550 1.00 0.00 C +ATOM 517 NE2 HIS A 37 9.332 0.963 1.140 1.00 0.00 N +ATOM 518 H HIS A 37 12.484 0.974 -0.258 1.00 0.00 H +ATOM 519 HA HIS A 37 12.887 1.402 -2.849 1.00 0.00 H +ATOM 520 HB2 HIS A 37 10.521 0.854 -2.910 1.00 0.00 H +ATOM 521 HB3 HIS A 37 11.312 -0.227 -2.111 1.00 0.00 H +ATOM 522 HD1 HIS A 37 9.573 2.867 -1.215 1.00 0.00 H +ATOM 523 HD2 HIS A 37 10.397 -0.618 0.399 1.00 0.00 H +ATOM 524 HE1 HIS A 37 8.588 2.825 0.942 1.00 0.00 H +ATOM 525 HE2 HIS A 37 9.075 0.715 1.922 1.00 0.00 H +ATOM 526 N GLY A 38 11.255 3.338 -3.478 1.00 0.00 N +ATOM 527 CA GLY A 38 10.745 4.667 -3.822 1.00 0.00 C +ATOM 528 C GLY A 38 9.362 4.890 -3.187 1.00 0.00 C +ATOM 529 O GLY A 38 8.850 4.028 -2.490 1.00 0.00 O +ATOM 530 H GLY A 38 11.111 2.737 -4.076 1.00 0.00 H +ATOM 531 HA2 GLY A 38 11.363 5.347 -3.513 1.00 0.00 H +ATOM 532 HA3 GLY A 38 10.683 4.757 -4.786 1.00 0.00 H +ATOM 533 N TYR A 39 8.782 6.080 -3.456 1.00 0.00 N +ATOM 534 CA TYR A 39 7.484 6.450 -2.867 1.00 0.00 C +ATOM 535 C TYR A 39 7.662 6.618 -1.342 1.00 0.00 C +ATOM 536 O TYR A 39 7.019 5.967 -0.530 1.00 0.00 O +ATOM 537 CB TYR A 39 6.342 5.452 -3.165 1.00 0.00 C +ATOM 538 CG TYR A 39 6.289 5.001 -4.598 1.00 0.00 C +ATOM 539 CD1 TYR A 39 5.735 5.785 -5.602 1.00 0.00 C +ATOM 540 CD2 TYR A 39 6.795 3.756 -4.930 1.00 0.00 C +ATOM 541 CE1 TYR A 39 5.700 5.322 -6.913 1.00 0.00 C +ATOM 542 CE2 TYR A 39 6.763 3.288 -6.230 1.00 0.00 C +ATOM 543 CZ TYR A 39 6.223 4.078 -7.236 1.00 0.00 C +ATOM 544 OH TYR A 39 6.198 3.654 -8.550 1.00 0.00 O +ATOM 545 H TYR A 39 9.124 6.677 -3.972 1.00 0.00 H +ATOM 546 HA TYR A 39 7.212 7.282 -3.284 1.00 0.00 H +ATOM 547 HB2 TYR A 39 6.446 4.675 -2.594 1.00 0.00 H +ATOM 548 HB3 TYR A 39 5.495 5.864 -2.933 1.00 0.00 H +ATOM 549 HD1 TYR A 39 5.386 6.622 -5.397 1.00 0.00 H +ATOM 550 HD2 TYR A 39 7.165 3.223 -4.264 1.00 0.00 H +ATOM 551 HE1 TYR A 39 5.323 5.851 -7.579 1.00 0.00 H +ATOM 552 HE2 TYR A 39 7.102 2.446 -6.431 1.00 0.00 H +ATOM 553 HH TYR A 39 5.946 4.285 -9.044 1.00 0.00 H +ATOM 554 N ILE A 40 8.624 7.505 -1.032 1.00 0.00 N +ATOM 555 CA ILE A 40 9.035 7.728 0.349 1.00 0.00 C +ATOM 556 C ILE A 40 8.248 8.936 0.905 1.00 0.00 C +ATOM 557 O ILE A 40 8.340 10.026 0.350 1.00 0.00 O +ATOM 558 CB ILE A 40 10.559 7.989 0.376 1.00 0.00 C +ATOM 559 CG1 ILE A 40 11.336 6.814 -0.260 1.00 0.00 C +ATOM 560 CG2 ILE A 40 11.054 8.254 1.809 1.00 0.00 C +ATOM 561 CD1 ILE A 40 12.841 7.071 -0.401 1.00 0.00 C +ATOM 562 H ILE A 40 9.044 7.982 -1.611 1.00 0.00 H +ATOM 563 HA ILE A 40 8.846 6.954 0.902 1.00 0.00 H +ATOM 564 HB ILE A 40 10.728 8.785 -0.152 1.00 0.00 H +ATOM 565 HG12 ILE A 40 11.201 6.019 0.279 1.00 0.00 H +ATOM 566 HG13 ILE A 40 10.965 6.629 -1.137 1.00 0.00 H +ATOM 567 HG21 ILE A 40 12.011 8.414 1.797 1.00 0.00 H +ATOM 568 HG22 ILE A 40 10.601 9.032 2.169 1.00 0.00 H +ATOM 569 HG23 ILE A 40 10.863 7.483 2.365 1.00 0.00 H +ATOM 570 HD11 ILE A 40 13.265 6.298 -0.805 1.00 0.00 H +ATOM 571 HD12 ILE A 40 12.985 7.849 -0.963 1.00 0.00 H +ATOM 572 HD13 ILE A 40 13.226 7.229 0.475 1.00 0.00 H +ATOM 573 N PRO A 41 7.484 8.736 2.023 1.00 0.00 N +ATOM 574 CA PRO A 41 6.654 9.802 2.595 1.00 0.00 C +ATOM 575 C PRO A 41 7.344 11.159 2.833 1.00 0.00 C +ATOM 576 O PRO A 41 6.725 12.212 2.774 1.00 0.00 O +ATOM 577 CB PRO A 41 6.189 9.225 3.945 1.00 0.00 C +ATOM 578 CG PRO A 41 6.326 7.704 3.830 1.00 0.00 C +ATOM 579 CD PRO A 41 7.352 7.462 2.724 1.00 0.00 C +ATOM 580 HA PRO A 41 5.952 10.020 1.962 1.00 0.00 H +ATOM 581 HB2 PRO A 41 6.731 9.567 4.673 1.00 0.00 H +ATOM 582 HB3 PRO A 41 5.271 9.477 4.132 1.00 0.00 H +ATOM 583 HG2 PRO A 41 6.621 7.317 4.669 1.00 0.00 H +ATOM 584 HG3 PRO A 41 5.475 7.293 3.611 1.00 0.00 H +ATOM 585 HD2 PRO A 41 8.203 7.178 3.094 1.00 0.00 H +ATOM 586 HD3 PRO A 41 7.056 6.762 2.122 1.00 0.00 H +ATOM 587 N SER A 42 8.668 11.080 3.046 1.00 0.00 N +ATOM 588 CA SER A 42 9.492 12.257 3.282 1.00 0.00 C +ATOM 589 C SER A 42 9.477 13.277 2.124 1.00 0.00 C +ATOM 590 O SER A 42 9.876 14.422 2.292 1.00 0.00 O +ATOM 591 CB SER A 42 10.920 11.759 3.530 1.00 0.00 C +ATOM 592 OG SER A 42 10.841 10.544 4.270 1.00 0.00 O +ATOM 593 H SER A 42 9.104 10.339 3.056 1.00 0.00 H +ATOM 594 HA SER A 42 9.131 12.736 4.044 1.00 0.00 H +ATOM 595 HB2 SER A 42 11.379 11.614 2.688 1.00 0.00 H +ATOM 596 HB3 SER A 42 11.430 12.422 4.021 1.00 0.00 H +ATOM 597 HG SER A 42 11.616 10.253 4.415 1.00 0.00 H +ATOM 598 N LYS A 43 9.015 12.801 0.951 1.00 0.00 N +ATOM 599 CA LYS A 43 8.970 13.635 -0.244 1.00 0.00 C +ATOM 600 C LYS A 43 7.534 14.058 -0.591 1.00 0.00 C +ATOM 601 O LYS A 43 7.306 14.684 -1.619 1.00 0.00 O +ATOM 602 CB LYS A 43 9.553 12.824 -1.414 1.00 0.00 C +ATOM 603 CG LYS A 43 11.026 12.444 -1.196 1.00 0.00 C +ATOM 604 CD LYS A 43 11.649 11.785 -2.434 1.00 0.00 C +ATOM 605 CE LYS A 43 13.135 11.460 -2.229 1.00 0.00 C +ATOM 606 NZ LYS A 43 13.775 10.922 -3.431 1.00 0.00 N +ATOM 607 H LYS A 43 8.726 11.999 0.837 1.00 0.00 H +ATOM 608 HA LYS A 43 9.484 14.442 -0.081 1.00 0.00 H +ATOM 609 HB2 LYS A 43 9.029 12.017 -1.536 1.00 0.00 H +ATOM 610 HB3 LYS A 43 9.473 13.340 -2.232 1.00 0.00 H +ATOM 611 HG2 LYS A 43 11.532 13.239 -0.967 1.00 0.00 H +ATOM 612 HG3 LYS A 43 11.093 11.838 -0.442 1.00 0.00 H +ATOM 613 HD2 LYS A 43 11.167 10.970 -2.642 1.00 0.00 H +ATOM 614 HD3 LYS A 43 11.551 12.375 -3.197 1.00 0.00 H +ATOM 615 HE2 LYS A 43 13.602 12.264 -1.953 1.00 0.00 H +ATOM 616 HE3 LYS A 43 13.224 10.819 -1.507 1.00 0.00 H +ATOM 617 HZ1 LYS A 43 14.587 11.276 -3.519 1.00 0.00 H +ATOM 618 HZ2 LYS A 43 13.844 10.038 -3.360 1.00 0.00 H +ATOM 619 HZ3 LYS A 43 13.284 11.125 -4.145 1.00 0.00 H +ATOM 620 N PHE A 44 6.580 13.675 0.283 1.00 0.00 N +ATOM 621 CA PHE A 44 5.178 13.965 0.001 1.00 0.00 C +ATOM 622 C PHE A 44 4.505 14.723 1.157 1.00 0.00 C +ATOM 623 O PHE A 44 4.215 14.149 2.196 1.00 0.00 O +ATOM 624 CB PHE A 44 4.424 12.652 -0.240 1.00 0.00 C +ATOM 625 CG PHE A 44 4.948 11.945 -1.459 1.00 0.00 C +ATOM 626 CD1 PHE A 44 4.559 12.345 -2.732 1.00 0.00 C +ATOM 627 CD2 PHE A 44 5.824 10.877 -1.332 1.00 0.00 C +ATOM 628 CE1 PHE A 44 5.014 11.667 -3.855 1.00 0.00 C +ATOM 629 CE2 PHE A 44 6.289 10.205 -2.451 1.00 0.00 C +ATOM 630 CZ PHE A 44 5.881 10.594 -3.717 1.00 0.00 C +ATOM 631 H PHE A 44 6.728 13.259 1.021 1.00 0.00 H +ATOM 632 HA PHE A 44 5.147 14.528 -0.788 1.00 0.00 H +ATOM 633 HB2 PHE A 44 4.514 12.076 0.536 1.00 0.00 H +ATOM 634 HB3 PHE A 44 3.478 12.834 -0.350 1.00 0.00 H +ATOM 635 HD1 PHE A 44 3.989 13.073 -2.832 1.00 0.00 H +ATOM 636 HD2 PHE A 44 6.102 10.609 -0.486 1.00 0.00 H +ATOM 637 HE1 PHE A 44 4.737 11.933 -4.702 1.00 0.00 H +ATOM 638 HE2 PHE A 44 6.877 9.491 -2.352 1.00 0.00 H +ATOM 639 HZ PHE A 44 6.186 10.139 -4.468 1.00 0.00 H +ATOM 640 N PRO A 45 4.171 16.024 0.916 1.00 0.00 N +ATOM 641 CA PRO A 45 3.119 16.669 1.704 1.00 0.00 C +ATOM 642 C PRO A 45 1.706 16.211 1.258 1.00 0.00 C +ATOM 643 O PRO A 45 0.699 16.561 1.858 1.00 0.00 O +ATOM 644 CB PRO A 45 3.324 18.162 1.418 1.00 0.00 C +ATOM 645 CG PRO A 45 3.978 18.216 0.034 1.00 0.00 C +ATOM 646 CD PRO A 45 4.767 16.908 -0.092 1.00 0.00 C +ATOM 647 HA PRO A 45 3.174 16.448 2.647 1.00 0.00 H +ATOM 648 HB2 PRO A 45 2.480 18.640 1.426 1.00 0.00 H +ATOM 649 HB3 PRO A 45 3.890 18.574 2.090 1.00 0.00 H +ATOM 650 HG2 PRO A 45 3.311 18.291 -0.666 1.00 0.00 H +ATOM 651 HG3 PRO A 45 4.562 18.986 -0.047 1.00 0.00 H +ATOM 652 HD2 PRO A 45 4.689 16.532 -0.983 1.00 0.00 H +ATOM 653 HD3 PRO A 45 5.712 17.048 0.075 1.00 0.00 H +ATOM 654 N ASN A 46 1.697 15.405 0.173 1.00 0.00 N +ATOM 655 CA ASN A 46 0.460 14.843 -0.356 1.00 0.00 C +ATOM 656 C ASN A 46 -0.051 13.770 0.630 1.00 0.00 C +ATOM 657 O ASN A 46 0.723 13.169 1.362 1.00 0.00 O +ATOM 658 CB ASN A 46 0.761 14.225 -1.736 1.00 0.00 C +ATOM 659 CG ASN A 46 -0.494 13.621 -2.381 1.00 0.00 C +ATOM 660 OD1 ASN A 46 -0.890 12.506 -2.080 1.00 0.00 O +ATOM 661 ND2 ASN A 46 -1.104 14.414 -3.268 1.00 0.00 N +ATOM 662 H ASN A 46 2.404 15.179 -0.262 1.00 0.00 H +ATOM 663 HA ASN A 46 -0.223 15.524 -0.458 1.00 0.00 H +ATOM 664 HB2 ASN A 46 1.129 14.906 -2.321 1.00 0.00 H +ATOM 665 HB3 ASN A 46 1.438 13.537 -1.641 1.00 0.00 H +ATOM 666 HD21 ASN A 46 -1.819 14.146 -3.664 1.00 0.00 H +ATOM 667 HD22 ASN A 46 -0.781 15.192 -3.443 1.00 0.00 H +ATOM 668 N LYS A 47 -1.380 13.545 0.609 1.00 0.00 N +ATOM 669 CA LYS A 47 -1.975 12.564 1.510 1.00 0.00 C +ATOM 670 C LYS A 47 -1.999 11.196 0.797 1.00 0.00 C +ATOM 671 O LYS A 47 -3.044 10.592 0.555 1.00 0.00 O +ATOM 672 CB LYS A 47 -3.379 13.072 1.901 1.00 0.00 C +ATOM 673 CG LYS A 47 -3.943 12.518 3.226 1.00 0.00 C +ATOM 674 CD LYS A 47 -4.406 11.054 3.187 1.00 0.00 C +ATOM 675 CE LYS A 47 -5.598 10.816 2.245 1.00 0.00 C +ATOM 676 NZ LYS A 47 -5.369 9.705 1.331 1.00 0.00 N +ATOM 677 H LYS A 47 -1.935 13.946 0.089 1.00 0.00 H +ATOM 678 HA LYS A 47 -1.464 12.450 2.327 1.00 0.00 H +ATOM 679 HB2 LYS A 47 -3.350 14.040 1.960 1.00 0.00 H +ATOM 680 HB3 LYS A 47 -3.997 12.849 1.187 1.00 0.00 H +ATOM 681 HG2 LYS A 47 -3.263 12.608 3.912 1.00 0.00 H +ATOM 682 HG3 LYS A 47 -4.693 13.071 3.497 1.00 0.00 H +ATOM 683 HD2 LYS A 47 -3.665 10.495 2.907 1.00 0.00 H +ATOM 684 HD3 LYS A 47 -4.650 10.775 4.083 1.00 0.00 H +ATOM 685 HE2 LYS A 47 -6.393 10.640 2.772 1.00 0.00 H +ATOM 686 HE3 LYS A 47 -5.769 11.622 1.734 1.00 0.00 H +ATOM 687 HZ1 LYS A 47 -5.919 9.775 0.635 1.00 0.00 H +ATOM 688 HZ2 LYS A 47 -4.526 9.724 1.046 1.00 0.00 H +ATOM 689 HZ3 LYS A 47 -5.521 8.937 1.753 1.00 0.00 H +ATOM 690 N ASN A 48 -0.763 10.745 0.491 1.00 0.00 N +ATOM 691 CA ASN A 48 -0.569 9.455 -0.159 1.00 0.00 C +ATOM 692 C ASN A 48 -0.058 8.426 0.865 1.00 0.00 C +ATOM 693 O ASN A 48 -0.867 7.806 1.549 1.00 0.00 O +ATOM 694 CB ASN A 48 0.194 9.533 -1.504 1.00 0.00 C +ATOM 695 CG ASN A 48 1.595 10.154 -1.433 1.00 0.00 C +ATOM 696 OD1 ASN A 48 2.060 10.556 -0.378 1.00 0.00 O +ATOM 697 ND2 ASN A 48 2.269 10.133 -2.593 1.00 0.00 N +ATOM 698 H ASN A 48 -0.037 11.176 0.655 1.00 0.00 H +ATOM 699 HA ASN A 48 -1.429 9.123 -0.461 1.00 0.00 H +ATOM 700 HB2 ASN A 48 0.273 8.636 -1.866 1.00 0.00 H +ATOM 701 HB3 ASN A 48 -0.339 10.046 -2.131 1.00 0.00 H +ATOM 702 HD21 ASN A 48 3.081 10.415 -2.624 1.00 0.00 H +ATOM 703 HD22 ASN A 48 1.889 9.838 -3.306 1.00 0.00 H +ATOM 704 N LEU A 49 1.270 8.226 0.925 1.00 0.00 N +ATOM 705 CA LEU A 49 1.839 7.182 1.771 1.00 0.00 C +ATOM 706 C LEU A 49 1.416 7.319 3.247 1.00 0.00 C +ATOM 707 O LEU A 49 0.791 8.287 3.675 1.00 0.00 O +ATOM 708 CB LEU A 49 3.365 7.105 1.583 1.00 0.00 C +ATOM 709 CG LEU A 49 3.856 6.765 0.150 1.00 0.00 C +ATOM 710 CD1 LEU A 49 2.807 6.126 -0.779 1.00 0.00 C +ATOM 711 CD2 LEU A 49 4.529 7.962 -0.524 1.00 0.00 C +ATOM 712 H LEU A 49 1.848 8.685 0.484 1.00 0.00 H +ATOM 713 HA LEU A 49 1.471 6.332 1.483 1.00 0.00 H +ATOM 714 HB2 LEU A 49 3.749 7.957 1.844 1.00 0.00 H +ATOM 715 HB3 LEU A 49 3.715 6.437 2.193 1.00 0.00 H +ATOM 716 HG LEU A 49 4.517 6.070 0.293 1.00 0.00 H +ATOM 717 HD11 LEU A 49 3.206 5.951 -1.646 1.00 0.00 H +ATOM 718 HD12 LEU A 49 2.497 5.292 -0.392 1.00 0.00 H +ATOM 719 HD13 LEU A 49 2.057 6.731 -0.885 1.00 0.00 H +ATOM 720 HD21 LEU A 49 4.821 7.710 -1.414 1.00 0.00 H +ATOM 721 HD22 LEU A 49 3.898 8.696 -0.586 1.00 0.00 H +ATOM 722 HD23 LEU A 49 5.296 8.240 0.001 1.00 0.00 H +ATOM 723 N LYS A 50 1.722 6.237 3.981 1.00 0.00 N +ATOM 724 CA LYS A 50 1.374 6.168 5.390 1.00 0.00 C +ATOM 725 C LYS A 50 2.329 5.149 6.020 1.00 0.00 C +ATOM 726 O LYS A 50 3.488 5.093 5.632 1.00 0.00 O +ATOM 727 CB LYS A 50 -0.134 5.854 5.501 1.00 0.00 C +ATOM 728 CG LYS A 50 -0.811 6.630 6.638 1.00 0.00 C +ATOM 729 CD LYS A 50 -2.223 7.104 6.270 1.00 0.00 C +ATOM 730 CE LYS A 50 -2.272 8.357 5.361 1.00 0.00 C +ATOM 731 NZ LYS A 50 -1.830 8.215 3.967 1.00 0.00 N +ATOM 732 H LYS A 50 2.128 5.543 3.676 1.00 0.00 H +ATOM 733 HA LYS A 50 1.489 6.997 5.881 1.00 0.00 H +ATOM 734 HB2 LYS A 50 -0.569 6.070 4.662 1.00 0.00 H +ATOM 735 HB3 LYS A 50 -0.254 4.902 5.646 1.00 0.00 H +ATOM 736 HG2 LYS A 50 -0.858 6.067 7.426 1.00 0.00 H +ATOM 737 HG3 LYS A 50 -0.266 7.398 6.870 1.00 0.00 H +ATOM 738 HD2 LYS A 50 -2.688 6.379 5.825 1.00 0.00 H +ATOM 739 HD3 LYS A 50 -2.710 7.294 7.087 1.00 0.00 H +ATOM 740 HE2 LYS A 50 -3.186 8.682 5.351 1.00 0.00 H +ATOM 741 HE3 LYS A 50 -1.730 9.047 5.776 1.00 0.00 H +ATOM 742 HZ1 LYS A 50 -1.918 8.994 3.546 1.00 0.00 H +ATOM 743 HZ2 LYS A 50 -0.976 7.964 3.950 1.00 0.00 H +ATOM 744 HZ3 LYS A 50 -2.327 7.600 3.559 1.00 0.00 H +ATOM 745 N LYS A 51 1.793 4.317 6.944 1.00 0.00 N +ATOM 746 CA LYS A 51 2.618 3.234 7.480 1.00 0.00 C +ATOM 747 C LYS A 51 2.757 2.151 6.403 1.00 0.00 C +ATOM 748 O LYS A 51 3.596 2.287 5.534 1.00 0.00 O +ATOM 749 CB LYS A 51 2.121 2.710 8.841 1.00 0.00 C +ATOM 750 CG LYS A 51 2.264 3.752 9.966 1.00 0.00 C +ATOM 751 CD LYS A 51 3.651 4.426 10.049 1.00 0.00 C +ATOM 752 CE LYS A 51 4.839 3.445 10.100 1.00 0.00 C +ATOM 753 NZ LYS A 51 6.129 4.107 9.909 1.00 0.00 N +ATOM 754 H LYS A 51 0.992 4.366 7.254 1.00 0.00 H +ATOM 755 HA LYS A 51 3.503 3.574 7.686 1.00 0.00 H +ATOM 756 HB2 LYS A 51 1.190 2.449 8.763 1.00 0.00 H +ATOM 757 HB3 LYS A 51 2.620 1.913 9.078 1.00 0.00 H +ATOM 758 HG2 LYS A 51 1.591 4.439 9.841 1.00 0.00 H +ATOM 759 HG3 LYS A 51 2.076 3.322 10.815 1.00 0.00 H +ATOM 760 HD2 LYS A 51 3.761 5.009 9.281 1.00 0.00 H +ATOM 761 HD3 LYS A 51 3.677 4.989 10.839 1.00 0.00 H +ATOM 762 HE2 LYS A 51 4.839 2.987 10.955 1.00 0.00 H +ATOM 763 HE3 LYS A 51 4.723 2.768 9.415 1.00 0.00 H +ATOM 764 HZ1 LYS A 51 6.660 3.587 9.420 1.00 0.00 H +ATOM 765 HZ2 LYS A 51 6.006 4.882 9.489 1.00 0.00 H +ATOM 766 HZ3 LYS A 51 6.507 4.256 10.701 1.00 0.00 H +ATOM 767 N ASN A 52 1.926 1.097 6.451 1.00 0.00 N +ATOM 768 CA ASN A 52 2.011 0.064 5.407 1.00 0.00 C +ATOM 769 C ASN A 52 0.726 -0.007 4.575 1.00 0.00 C +ATOM 770 O ASN A 52 0.679 -0.662 3.541 1.00 0.00 O +ATOM 771 CB ASN A 52 2.442 -1.280 6.023 1.00 0.00 C +ATOM 772 CG ASN A 52 1.416 -1.839 7.019 1.00 0.00 C +ATOM 773 OD1 ASN A 52 0.550 -1.126 7.515 1.00 0.00 O +ATOM 774 ND2 ASN A 52 1.556 -3.155 7.241 1.00 0.00 N +ATOM 775 H ASN A 52 1.329 0.965 7.055 1.00 0.00 H +ATOM 776 HA ASN A 52 2.702 0.307 4.771 1.00 0.00 H +ATOM 777 HB2 ASN A 52 2.581 -1.926 5.313 1.00 0.00 H +ATOM 778 HB3 ASN A 52 3.294 -1.166 6.473 1.00 0.00 H +ATOM 779 HD21 ASN A 52 1.012 -3.562 7.768 1.00 0.00 H +ATOM 780 HD22 ASN A 52 2.190 -3.591 6.856 1.00 0.00 H +ATOM 781 N TYR A 53 -0.302 0.715 5.057 1.00 0.00 N +ATOM 782 CA TYR A 53 -1.606 0.765 4.390 1.00 0.00 C +ATOM 783 C TYR A 53 -1.439 1.019 2.881 1.00 0.00 C +ATOM 784 O TYR A 53 -0.719 1.919 2.462 1.00 0.00 O +ATOM 785 CB TYR A 53 -2.485 1.851 5.034 1.00 0.00 C +ATOM 786 CG TYR A 53 -2.561 1.723 6.535 1.00 0.00 C +ATOM 787 CD1 TYR A 53 -2.806 0.492 7.138 1.00 0.00 C +ATOM 788 CD2 TYR A 53 -2.383 2.840 7.347 1.00 0.00 C +ATOM 789 CE1 TYR A 53 -2.853 0.375 8.520 1.00 0.00 C +ATOM 790 CE2 TYR A 53 -2.442 2.728 8.731 1.00 0.00 C +ATOM 791 CZ TYR A 53 -2.673 1.492 9.319 1.00 0.00 C +ATOM 792 OH TYR A 53 -2.733 1.362 10.691 1.00 0.00 O +ATOM 793 H TYR A 53 -0.258 1.185 5.776 1.00 0.00 H +ATOM 794 HA TYR A 53 -2.044 -0.094 4.499 1.00 0.00 H +ATOM 795 HB2 TYR A 53 -2.132 2.725 4.805 1.00 0.00 H +ATOM 796 HB3 TYR A 53 -3.380 1.800 4.663 1.00 0.00 H +ATOM 797 HD1 TYR A 53 -2.940 -0.261 6.608 1.00 0.00 H +ATOM 798 HD2 TYR A 53 -2.223 3.670 6.959 1.00 0.00 H +ATOM 799 HE1 TYR A 53 -3.006 -0.455 8.910 1.00 0.00 H +ATOM 800 HE2 TYR A 53 -2.327 3.482 9.264 1.00 0.00 H +ATOM 801 HH TYR A 53 -2.940 2.100 11.034 1.00 0.00 H +ATOM 802 N CYS A 54 -2.110 0.143 2.112 1.00 0.00 N +ATOM 803 CA CYS A 54 -1.978 0.177 0.660 1.00 0.00 C +ATOM 804 C CYS A 54 -2.410 1.526 0.083 1.00 0.00 C +ATOM 805 O CYS A 54 -3.310 2.165 0.605 1.00 0.00 O +ATOM 806 CB CYS A 54 -2.815 -0.966 0.094 1.00 0.00 C +ATOM 807 SG CYS A 54 -2.662 -2.411 1.163 1.00 0.00 S +ATOM 808 H CYS A 54 -2.637 -0.466 2.414 1.00 0.00 H +ATOM 809 HA CYS A 54 -1.047 0.066 0.410 1.00 0.00 H +ATOM 810 HB2 CYS A 54 -3.745 -0.697 0.029 1.00 0.00 H +ATOM 811 HB3 CYS A 54 -2.519 -1.183 -0.804 1.00 0.00 H +ATOM 812 N ARG A 55 -1.724 1.914 -1.005 1.00 0.00 N +ATOM 813 CA ARG A 55 -2.024 3.162 -1.694 1.00 0.00 C +ATOM 814 C ARG A 55 -2.038 2.848 -3.189 1.00 0.00 C +ATOM 815 O ARG A 55 -2.066 1.688 -3.586 1.00 0.00 O +ATOM 816 CB ARG A 55 -0.992 4.257 -1.342 1.00 0.00 C +ATOM 817 CG ARG A 55 -0.954 4.646 0.136 1.00 0.00 C +ATOM 818 CD ARG A 55 -2.275 5.236 0.640 1.00 0.00 C +ATOM 819 NE ARG A 55 -2.642 6.469 -0.060 1.00 0.00 N +ATOM 820 CZ ARG A 55 -3.554 6.579 -1.053 1.00 0.00 C +ATOM 821 NH1 ARG A 55 -4.368 5.579 -1.348 1.00 0.00 N +ATOM 822 NH2 ARG A 55 -3.654 7.703 -1.756 1.00 0.00 N +ATOM 823 H ARG A 55 -1.081 1.461 -1.354 1.00 0.00 H +ATOM 824 HA ARG A 55 -2.885 3.514 -1.417 1.00 0.00 H +ATOM 825 HB2 ARG A 55 -0.110 3.951 -1.606 1.00 0.00 H +ATOM 826 HB3 ARG A 55 -1.186 5.049 -1.868 1.00 0.00 H +ATOM 827 HG2 ARG A 55 -0.734 3.863 0.665 1.00 0.00 H +ATOM 828 HG3 ARG A 55 -0.244 5.292 0.276 1.00 0.00 H +ATOM 829 HD2 ARG A 55 -2.982 4.581 0.528 1.00 0.00 H +ATOM 830 HD3 ARG A 55 -2.204 5.416 1.590 1.00 0.00 H +ATOM 831 HE ARG A 55 -2.241 7.190 0.183 1.00 0.00 H +ATOM 832 HH11 ARG A 55 -4.323 4.843 -0.905 1.00 0.00 H +ATOM 833 HH12 ARG A 55 -4.942 5.665 -1.982 1.00 0.00 H +ATOM 834 HH21 ARG A 55 -3.137 8.367 -1.581 1.00 0.00 H +ATOM 835 HH22 ARG A 55 -4.236 7.766 -2.386 1.00 0.00 H +ATOM 836 N ASN A 56 -2.019 3.930 -3.997 1.00 0.00 N +ATOM 837 CA ASN A 56 -1.984 3.719 -5.436 1.00 0.00 C +ATOM 838 C ASN A 56 -1.186 4.839 -6.138 1.00 0.00 C +ATOM 839 O ASN A 56 -1.737 5.579 -6.940 1.00 0.00 O +ATOM 840 CB ASN A 56 -3.441 3.567 -5.963 1.00 0.00 C +ATOM 841 CG ASN A 56 -3.537 2.276 -6.766 1.00 0.00 C +ATOM 842 OD1 ASN A 56 -2.546 1.830 -7.324 1.00 0.00 O +ATOM 843 ND2 ASN A 56 -4.765 1.773 -6.900 1.00 0.00 N +ATOM 844 H ASN A 56 -2.026 4.750 -3.737 1.00 0.00 H +ATOM 845 HA ASN A 56 -1.513 2.897 -5.644 1.00 0.00 H +ATOM 846 HB2 ASN A 56 -4.067 3.549 -5.222 1.00 0.00 H +ATOM 847 HB3 ASN A 56 -3.679 4.326 -6.517 1.00 0.00 H +ATOM 848 HD21 ASN A 56 -4.897 1.090 -7.406 1.00 0.00 H +ATOM 849 HD22 ASN A 56 -5.425 2.131 -6.480 1.00 0.00 H +ATOM 850 N PRO A 57 0.143 4.961 -5.835 1.00 0.00 N +ATOM 851 CA PRO A 57 0.942 6.061 -6.394 1.00 0.00 C +ATOM 852 C PRO A 57 0.977 6.199 -7.934 1.00 0.00 C +ATOM 853 O PRO A 57 1.040 7.296 -8.471 1.00 0.00 O +ATOM 854 CB PRO A 57 2.362 5.779 -5.883 1.00 0.00 C +ATOM 855 CG PRO A 57 2.201 4.872 -4.664 1.00 0.00 C +ATOM 856 CD PRO A 57 0.903 4.110 -4.915 1.00 0.00 C +ATOM 857 HA PRO A 57 0.541 6.898 -6.113 1.00 0.00 H +ATOM 858 HB2 PRO A 57 2.898 5.348 -6.567 1.00 0.00 H +ATOM 859 HB3 PRO A 57 2.815 6.603 -5.645 1.00 0.00 H +ATOM 860 HG2 PRO A 57 2.953 4.266 -4.574 1.00 0.00 H +ATOM 861 HG3 PRO A 57 2.153 5.389 -3.844 1.00 0.00 H +ATOM 862 HD2 PRO A 57 1.076 3.238 -5.303 1.00 0.00 H +ATOM 863 HD3 PRO A 57 0.416 3.961 -4.089 1.00 0.00 H +ATOM 864 N ASP A 58 0.889 5.029 -8.596 1.00 0.00 N +ATOM 865 CA ASP A 58 0.857 4.956 -10.058 1.00 0.00 C +ATOM 866 C ASP A 58 -0.579 4.668 -10.547 1.00 0.00 C +ATOM 867 O ASP A 58 -0.869 4.598 -11.737 1.00 0.00 O +ATOM 868 CB ASP A 58 1.821 3.846 -10.516 1.00 0.00 C +ATOM 869 CG ASP A 58 1.391 2.450 -10.039 1.00 0.00 C +ATOM 870 OD1 ASP A 58 1.459 2.174 -8.845 1.00 0.00 O +ATOM 871 OD2 ASP A 58 1.019 1.613 -10.857 1.00 0.00 O +ATOM 872 H ASP A 58 0.847 4.264 -8.206 1.00 0.00 H +ATOM 873 HA ASP A 58 1.136 5.804 -10.438 1.00 0.00 H +ATOM 874 HB2 ASP A 58 1.875 3.850 -11.484 1.00 0.00 H +ATOM 875 HB3 ASP A 58 2.711 4.038 -10.181 1.00 0.00 H +ATOM 876 N ARG A 59 -1.445 4.514 -9.537 1.00 0.00 N +ATOM 877 CA ARG A 59 -2.852 4.208 -9.658 1.00 0.00 C +ATOM 878 C ARG A 59 -3.141 2.969 -10.538 1.00 0.00 C +ATOM 879 O ARG A 59 -3.834 2.992 -11.548 1.00 0.00 O +ATOM 880 CB ARG A 59 -3.744 5.450 -9.787 1.00 0.00 C +ATOM 881 CG ARG A 59 -3.818 6.076 -11.188 1.00 0.00 C +ATOM 882 CD ARG A 59 -2.796 7.200 -11.415 1.00 0.00 C +ATOM 883 NE ARG A 59 -2.920 7.743 -12.764 1.00 0.00 N +ATOM 884 CZ ARG A 59 -2.448 7.113 -13.866 1.00 0.00 C +ATOM 885 NH1 ARG A 59 -1.815 5.946 -13.772 1.00 0.00 N +ATOM 886 NH2 ARG A 59 -2.625 7.675 -15.059 1.00 0.00 N +ATOM 887 H ARG A 59 -1.199 4.593 -8.717 1.00 0.00 H +ATOM 888 HA ARG A 59 -3.162 3.876 -8.801 1.00 0.00 H +ATOM 889 HB2 ARG A 59 -4.643 5.213 -9.509 1.00 0.00 H +ATOM 890 HB3 ARG A 59 -3.424 6.123 -9.167 1.00 0.00 H +ATOM 891 HG2 ARG A 59 -3.677 5.383 -11.852 1.00 0.00 H +ATOM 892 HG3 ARG A 59 -4.711 6.428 -11.330 1.00 0.00 H +ATOM 893 HD2 ARG A 59 -2.933 7.905 -10.763 1.00 0.00 H +ATOM 894 HD3 ARG A 59 -1.898 6.859 -11.279 1.00 0.00 H +ATOM 895 HE ARG A 59 -3.313 8.502 -12.864 1.00 0.00 H +ATOM 896 HH11 ARG A 59 -1.700 5.580 -13.002 1.00 0.00 H +ATOM 897 HH12 ARG A 59 -1.521 5.558 -14.481 1.00 0.00 H +ATOM 898 HH21 ARG A 59 -3.035 8.429 -15.123 1.00 0.00 H +ATOM 899 HH22 ARG A 59 -2.330 7.285 -15.766 1.00 0.00 H +ATOM 900 N GLU A 60 -2.570 1.882 -9.992 1.00 0.00 N +ATOM 901 CA GLU A 60 -2.738 0.505 -10.426 1.00 0.00 C +ATOM 902 C GLU A 60 -4.216 0.139 -10.177 1.00 0.00 C +ATOM 903 O GLU A 60 -4.939 0.864 -9.502 1.00 0.00 O +ATOM 904 CB GLU A 60 -1.771 -0.312 -9.541 1.00 0.00 C +ATOM 905 CG GLU A 60 -1.869 -1.840 -9.576 1.00 0.00 C +ATOM 906 CD GLU A 60 -1.474 -2.392 -10.937 1.00 0.00 C +ATOM 907 OE1 GLU A 60 -2.319 -2.430 -11.827 1.00 0.00 O +ATOM 908 OE2 GLU A 60 -0.316 -2.770 -11.086 1.00 0.00 O +ATOM 909 H GLU A 60 -2.043 1.945 -9.316 1.00 0.00 H +ATOM 910 HA GLU A 60 -2.542 0.341 -11.362 1.00 0.00 H +ATOM 911 HB2 GLU A 60 -0.866 -0.068 -9.789 1.00 0.00 H +ATOM 912 HB3 GLU A 60 -1.900 -0.028 -8.622 1.00 0.00 H +ATOM 913 HG2 GLU A 60 -1.294 -2.218 -8.893 1.00 0.00 H +ATOM 914 HG3 GLU A 60 -2.776 -2.112 -9.366 1.00 0.00 H +ATOM 915 N LEU A 61 -4.636 -1.006 -10.745 1.00 0.00 N +ATOM 916 CA LEU A 61 -6.018 -1.446 -10.589 1.00 0.00 C +ATOM 917 C LEU A 61 -6.399 -1.558 -9.094 1.00 0.00 C +ATOM 918 O LEU A 61 -7.186 -0.784 -8.567 1.00 0.00 O +ATOM 919 CB LEU A 61 -6.195 -2.772 -11.355 1.00 0.00 C +ATOM 920 CG LEU A 61 -7.605 -3.382 -11.266 1.00 0.00 C +ATOM 921 CD1 LEU A 61 -8.683 -2.432 -11.804 1.00 0.00 C +ATOM 922 CD2 LEU A 61 -7.656 -4.728 -12.000 1.00 0.00 C +ATOM 923 H LEU A 61 -4.140 -1.528 -11.215 1.00 0.00 H +ATOM 924 HA LEU A 61 -6.627 -0.791 -10.965 1.00 0.00 H +ATOM 925 HB2 LEU A 61 -5.978 -2.623 -12.289 1.00 0.00 H +ATOM 926 HB3 LEU A 61 -5.555 -3.416 -11.014 1.00 0.00 H +ATOM 927 HG LEU A 61 -7.796 -3.528 -10.326 1.00 0.00 H +ATOM 928 HD11 LEU A 61 -9.553 -2.854 -11.730 1.00 0.00 H +ATOM 929 HD12 LEU A 61 -8.677 -1.611 -11.288 1.00 0.00 H +ATOM 930 HD13 LEU A 61 -8.501 -2.230 -12.735 1.00 0.00 H +ATOM 931 HD21 LEU A 61 -8.550 -5.099 -11.935 1.00 0.00 H +ATOM 932 HD22 LEU A 61 -7.428 -4.596 -12.934 1.00 0.00 H +ATOM 933 HD23 LEU A 61 -7.022 -5.341 -11.596 1.00 0.00 H +ATOM 934 N ARG A 62 -5.804 -2.575 -8.455 1.00 0.00 N +ATOM 935 CA ARG A 62 -6.001 -2.804 -7.027 1.00 0.00 C +ATOM 936 C ARG A 62 -4.899 -1.979 -6.304 1.00 0.00 C +ATOM 937 O ARG A 62 -3.776 -1.920 -6.790 1.00 0.00 O +ATOM 938 CB ARG A 62 -5.894 -4.330 -6.830 1.00 0.00 C +ATOM 939 CG ARG A 62 -6.182 -4.889 -5.425 1.00 0.00 C +ATOM 940 CD ARG A 62 -7.581 -5.496 -5.207 1.00 0.00 C +ATOM 941 NE ARG A 62 -8.595 -4.462 -4.997 1.00 0.00 N +ATOM 942 CZ ARG A 62 -9.581 -4.544 -4.067 1.00 0.00 C +ATOM 943 NH1 ARG A 62 -9.810 -5.642 -3.347 1.00 0.00 N +ATOM 944 NH2 ARG A 62 -10.352 -3.486 -3.840 1.00 0.00 N +ATOM 945 H ARG A 62 -5.282 -3.142 -8.837 1.00 0.00 H +ATOM 946 HA ARG A 62 -6.856 -2.521 -6.666 1.00 0.00 H +ATOM 947 HB2 ARG A 62 -6.505 -4.755 -7.452 1.00 0.00 H +ATOM 948 HB3 ARG A 62 -4.998 -4.602 -7.082 1.00 0.00 H +ATOM 949 HG2 ARG A 62 -5.520 -5.570 -5.226 1.00 0.00 H +ATOM 950 HG3 ARG A 62 -6.056 -4.175 -4.781 1.00 0.00 H +ATOM 951 HD2 ARG A 62 -7.823 -6.035 -5.976 1.00 0.00 H +ATOM 952 HD3 ARG A 62 -7.560 -6.089 -4.440 1.00 0.00 H +ATOM 953 HE ARG A 62 -8.565 -3.760 -5.493 1.00 0.00 H +ATOM 954 HH11 ARG A 62 -9.322 -6.341 -3.462 1.00 0.00 H +ATOM 955 HH12 ARG A 62 -10.446 -5.652 -2.768 1.00 0.00 H +ATOM 956 HH21 ARG A 62 -10.224 -2.758 -4.280 1.00 0.00 H +ATOM 957 HH22 ARG A 62 -10.979 -3.529 -3.253 1.00 0.00 H +ATOM 958 N PRO A 63 -5.224 -1.333 -5.147 1.00 0.00 N +ATOM 959 CA PRO A 63 -4.219 -0.574 -4.388 1.00 0.00 C +ATOM 960 C PRO A 63 -3.184 -1.559 -3.830 1.00 0.00 C +ATOM 961 O PRO A 63 -3.527 -2.683 -3.491 1.00 0.00 O +ATOM 962 CB PRO A 63 -5.012 0.112 -3.274 1.00 0.00 C +ATOM 963 CG PRO A 63 -6.217 -0.804 -3.085 1.00 0.00 C +ATOM 964 CD PRO A 63 -6.524 -1.365 -4.476 1.00 0.00 C +ATOM 965 HA PRO A 63 -3.734 0.079 -4.917 1.00 0.00 H +ATOM 966 HB2 PRO A 63 -4.491 0.190 -2.460 1.00 0.00 H +ATOM 967 HB3 PRO A 63 -5.281 1.009 -3.526 1.00 0.00 H +ATOM 968 HG2 PRO A 63 -6.020 -1.516 -2.457 1.00 0.00 H +ATOM 969 HG3 PRO A 63 -6.976 -0.315 -2.730 1.00 0.00 H +ATOM 970 HD2 PRO A 63 -6.880 -2.266 -4.428 1.00 0.00 H +ATOM 971 HD3 PRO A 63 -7.181 -0.825 -4.943 1.00 0.00 H +ATOM 972 N TRP A 64 -1.913 -1.124 -3.825 1.00 0.00 N +ATOM 973 CA TRP A 64 -0.814 -2.006 -3.440 1.00 0.00 C +ATOM 974 C TRP A 64 0.081 -1.347 -2.376 1.00 0.00 C +ATOM 975 O TRP A 64 -0.064 -0.180 -2.029 1.00 0.00 O +ATOM 976 CB TRP A 64 -0.025 -2.332 -4.728 1.00 0.00 C +ATOM 977 CG TRP A 64 0.572 -1.084 -5.336 1.00 0.00 C +ATOM 978 CD1 TRP A 64 -0.054 -0.215 -6.231 1.00 0.00 C +ATOM 979 CD2 TRP A 64 1.885 -0.548 -5.092 1.00 0.00 C +ATOM 980 NE1 TRP A 64 0.793 0.799 -6.530 1.00 0.00 N +ATOM 981 CE2 TRP A 64 1.991 0.641 -5.843 1.00 0.00 C +ATOM 982 CE3 TRP A 64 2.933 -0.971 -4.324 1.00 0.00 C +ATOM 983 CZ2 TRP A 64 3.142 1.380 -5.786 1.00 0.00 C +ATOM 984 CZ3 TRP A 64 4.106 -0.229 -4.266 1.00 0.00 C +ATOM 985 CH2 TRP A 64 4.209 0.954 -4.994 1.00 0.00 C +ATOM 986 H TRP A 64 -1.674 -0.326 -4.041 1.00 0.00 H +ATOM 987 HA TRP A 64 -1.152 -2.821 -3.037 1.00 0.00 H +ATOM 988 HB2 TRP A 64 0.681 -2.966 -4.526 1.00 0.00 H +ATOM 989 HB3 TRP A 64 -0.613 -2.758 -5.371 1.00 0.00 H +ATOM 990 HD1 TRP A 64 -0.915 -0.316 -6.568 1.00 0.00 H +ATOM 991 HE1 TRP A 64 0.615 1.447 -7.067 1.00 0.00 H +ATOM 992 HE3 TRP A 64 2.861 -1.760 -3.837 1.00 0.00 H +ATOM 993 HZ2 TRP A 64 3.213 2.167 -6.276 1.00 0.00 H +ATOM 994 HZ3 TRP A 64 4.818 -0.520 -3.744 1.00 0.00 H +ATOM 995 HH2 TRP A 64 4.988 1.460 -4.952 1.00 0.00 H +ATOM 996 N CYS A 65 1.047 -2.174 -1.942 1.00 0.00 N +ATOM 997 CA CYS A 65 2.113 -1.751 -1.044 1.00 0.00 C +ATOM 998 C CYS A 65 3.249 -2.768 -1.217 1.00 0.00 C +ATOM 999 O CYS A 65 3.086 -3.798 -1.865 1.00 0.00 O +ATOM 1000 CB CYS A 65 1.654 -1.558 0.414 1.00 0.00 C +ATOM 1001 SG CYS A 65 0.468 -2.770 1.040 1.00 0.00 S +ATOM 1002 H CYS A 65 1.094 -3.002 -2.168 1.00 0.00 H +ATOM 1003 HA CYS A 65 2.424 -0.862 -1.277 1.00 0.00 H +ATOM 1004 HB2 CYS A 65 2.438 -1.574 0.986 1.00 0.00 H +ATOM 1005 HB3 CYS A 65 1.261 -0.675 0.496 1.00 0.00 H +ATOM 1006 N PHE A 66 4.418 -2.394 -0.662 1.00 0.00 N +ATOM 1007 CA PHE A 66 5.582 -3.268 -0.737 1.00 0.00 C +ATOM 1008 C PHE A 66 5.390 -4.410 0.265 1.00 0.00 C +ATOM 1009 O PHE A 66 4.768 -4.215 1.298 1.00 0.00 O +ATOM 1010 CB PHE A 66 6.849 -2.460 -0.436 1.00 0.00 C +ATOM 1011 CG PHE A 66 7.116 -1.451 -1.523 1.00 0.00 C +ATOM 1012 CD1 PHE A 66 7.555 -1.879 -2.772 1.00 0.00 C +ATOM 1013 CD2 PHE A 66 6.924 -0.088 -1.308 1.00 0.00 C +ATOM 1014 CE1 PHE A 66 7.792 -0.968 -3.791 1.00 0.00 C +ATOM 1015 CE2 PHE A 66 7.173 0.827 -2.326 1.00 0.00 C +ATOM 1016 CZ PHE A 66 7.610 0.383 -3.566 1.00 0.00 C +ATOM 1017 H PHE A 66 4.547 -1.651 -0.248 1.00 0.00 H +ATOM 1018 HA PHE A 66 5.678 -3.644 -1.626 1.00 0.00 H +ATOM 1019 HB2 PHE A 66 6.752 -2.005 0.415 1.00 0.00 H +ATOM 1020 HB3 PHE A 66 7.607 -3.059 -0.353 1.00 0.00 H +ATOM 1021 HD1 PHE A 66 7.691 -2.786 -2.925 1.00 0.00 H +ATOM 1022 HD2 PHE A 66 6.628 0.212 -0.479 1.00 0.00 H +ATOM 1023 HE1 PHE A 66 8.073 -1.267 -4.626 1.00 0.00 H +ATOM 1024 HE2 PHE A 66 7.047 1.736 -2.176 1.00 0.00 H +ATOM 1025 HZ PHE A 66 7.780 0.995 -4.245 1.00 0.00 H +ATOM 1026 N THR A 67 5.922 -5.599 -0.067 1.00 0.00 N +ATOM 1027 CA THR A 67 5.716 -6.736 0.826 1.00 0.00 C +ATOM 1028 C THR A 67 6.893 -6.827 1.807 1.00 0.00 C +ATOM 1029 O THR A 67 7.898 -6.139 1.676 1.00 0.00 O +ATOM 1030 CB THR A 67 5.525 -8.045 0.026 1.00 0.00 C +ATOM 1031 OG1 THR A 67 6.708 -8.810 -0.062 1.00 0.00 O +ATOM 1032 CG2 THR A 67 4.891 -7.844 -1.362 1.00 0.00 C +ATOM 1033 H THR A 67 6.385 -5.758 -0.774 1.00 0.00 H +ATOM 1034 HA THR A 67 4.901 -6.604 1.335 1.00 0.00 H +ATOM 1035 HB THR A 67 4.884 -8.553 0.547 1.00 0.00 H +ATOM 1036 HG1 THR A 67 7.127 -8.599 -0.759 1.00 0.00 H +ATOM 1037 HG21 THR A 67 4.802 -8.703 -1.805 1.00 0.00 H +ATOM 1038 HG22 THR A 67 4.015 -7.439 -1.262 1.00 0.00 H +ATOM 1039 HG23 THR A 67 5.456 -7.263 -1.895 1.00 0.00 H +ATOM 1040 N THR A 68 6.707 -7.730 2.785 1.00 0.00 N +ATOM 1041 CA THR A 68 7.749 -7.990 3.765 1.00 0.00 C +ATOM 1042 C THR A 68 8.697 -9.102 3.267 1.00 0.00 C +ATOM 1043 O THR A 68 9.720 -9.372 3.885 1.00 0.00 O +ATOM 1044 CB THR A 68 7.072 -8.375 5.092 1.00 0.00 C +ATOM 1045 OG1 THR A 68 5.901 -9.130 4.827 1.00 0.00 O +ATOM 1046 CG2 THR A 68 6.790 -7.143 5.973 1.00 0.00 C +ATOM 1047 H THR A 68 5.990 -8.193 2.889 1.00 0.00 H +ATOM 1048 HA THR A 68 8.292 -7.198 3.899 1.00 0.00 H +ATOM 1049 HB THR A 68 7.681 -8.930 5.604 1.00 0.00 H +ATOM 1050 HG1 THR A 68 5.246 -8.611 4.740 1.00 0.00 H +ATOM 1051 HG21 THR A 68 6.364 -7.425 6.798 1.00 0.00 H +ATOM 1052 HG22 THR A 68 7.625 -6.693 6.178 1.00 0.00 H +ATOM 1053 HG23 THR A 68 6.203 -6.533 5.499 1.00 0.00 H +ATOM 1054 N ASP A 69 8.312 -9.736 2.138 1.00 0.00 N +ATOM 1055 CA ASP A 69 9.139 -10.803 1.591 1.00 0.00 C +ATOM 1056 C ASP A 69 10.352 -10.181 0.855 1.00 0.00 C +ATOM 1057 O ASP A 69 10.176 -9.367 -0.043 1.00 0.00 O +ATOM 1058 CB ASP A 69 8.306 -11.649 0.619 1.00 0.00 C +ATOM 1059 CG ASP A 69 9.176 -12.753 0.009 1.00 0.00 C +ATOM 1060 OD1 ASP A 69 9.388 -13.768 0.664 1.00 0.00 O +ATOM 1061 OD2 ASP A 69 9.657 -12.562 -1.105 1.00 0.00 O +ATOM 1062 H ASP A 69 7.596 -9.561 1.695 1.00 0.00 H +ATOM 1063 HA ASP A 69 9.459 -11.373 2.308 1.00 0.00 H +ATOM 1064 HB2 ASP A 69 7.551 -12.042 1.085 1.00 0.00 H +ATOM 1065 HB3 ASP A 69 7.944 -11.086 -0.083 1.00 0.00 H +ATOM 1066 N PRO A 70 11.598 -10.595 1.230 1.00 0.00 N +ATOM 1067 CA PRO A 70 12.805 -10.096 0.563 1.00 0.00 C +ATOM 1068 C PRO A 70 12.958 -10.279 -0.963 1.00 0.00 C +ATOM 1069 O PRO A 70 13.945 -9.837 -1.539 1.00 0.00 O +ATOM 1070 CB PRO A 70 13.955 -10.835 1.268 1.00 0.00 C +ATOM 1071 CG PRO A 70 13.387 -11.271 2.618 1.00 0.00 C +ATOM 1072 CD PRO A 70 11.894 -11.475 2.362 1.00 0.00 C +ATOM 1073 HA PRO A 70 12.781 -9.129 0.640 1.00 0.00 H +ATOM 1074 HB2 PRO A 70 14.250 -11.600 0.749 1.00 0.00 H +ATOM 1075 HB3 PRO A 70 14.725 -10.256 1.383 1.00 0.00 H +ATOM 1076 HG2 PRO A 70 13.806 -12.088 2.929 1.00 0.00 H +ATOM 1077 HG3 PRO A 70 13.539 -10.597 3.299 1.00 0.00 H +ATOM 1078 HD2 PRO A 70 11.694 -12.401 2.153 1.00 0.00 H +ATOM 1079 HD3 PRO A 70 11.366 -11.240 3.141 1.00 0.00 H +ATOM 1080 N ASN A 71 11.984 -10.952 -1.600 1.00 0.00 N +ATOM 1081 CA ASN A 71 12.043 -11.168 -3.047 1.00 0.00 C +ATOM 1082 C ASN A 71 10.831 -10.529 -3.741 1.00 0.00 C +ATOM 1083 O ASN A 71 10.914 -10.156 -4.905 1.00 0.00 O +ATOM 1084 CB ASN A 71 12.135 -12.668 -3.389 1.00 0.00 C +ATOM 1085 CG ASN A 71 13.448 -13.355 -2.960 1.00 0.00 C +ATOM 1086 OD1 ASN A 71 13.564 -14.570 -3.022 1.00 0.00 O +ATOM 1087 ND2 ASN A 71 14.445 -12.554 -2.555 1.00 0.00 N +ATOM 1088 H ASN A 71 11.292 -11.285 -1.214 1.00 0.00 H +ATOM 1089 HA ASN A 71 12.848 -10.739 -3.376 1.00 0.00 H +ATOM 1090 HB2 ASN A 71 11.392 -13.128 -2.968 1.00 0.00 H +ATOM 1091 HB3 ASN A 71 12.028 -12.775 -4.347 1.00 0.00 H +ATOM 1092 HD21 ASN A 71 15.202 -12.892 -2.326 1.00 0.00 H +ATOM 1093 HD22 ASN A 71 14.327 -11.703 -2.524 1.00 0.00 H +ATOM 1094 N LYS A 72 9.715 -10.392 -2.998 1.00 0.00 N +ATOM 1095 CA LYS A 72 8.530 -9.789 -3.598 1.00 0.00 C +ATOM 1096 C LYS A 72 8.483 -8.299 -3.224 1.00 0.00 C +ATOM 1097 O LYS A 72 8.105 -7.922 -2.123 1.00 0.00 O +ATOM 1098 CB LYS A 72 7.256 -10.510 -3.120 1.00 0.00 C +ATOM 1099 CG LYS A 72 6.012 -10.080 -3.916 1.00 0.00 C +ATOM 1100 CD LYS A 72 5.913 -10.774 -5.285 1.00 0.00 C +ATOM 1101 CE LYS A 72 4.986 -10.062 -6.279 1.00 0.00 C +ATOM 1102 NZ LYS A 72 3.838 -9.420 -5.649 1.00 0.00 N +ATOM 1103 H LYS A 72 9.633 -10.634 -2.177 1.00 0.00 H +ATOM 1104 HA LYS A 72 8.576 -9.877 -4.563 1.00 0.00 H +ATOM 1105 HB2 LYS A 72 7.377 -11.469 -3.206 1.00 0.00 H +ATOM 1106 HB3 LYS A 72 7.115 -10.325 -2.178 1.00 0.00 H +ATOM 1107 HG2 LYS A 72 5.216 -10.280 -3.398 1.00 0.00 H +ATOM 1108 HG3 LYS A 72 6.032 -9.119 -4.046 1.00 0.00 H +ATOM 1109 HD2 LYS A 72 6.801 -10.835 -5.671 1.00 0.00 H +ATOM 1110 HD3 LYS A 72 5.597 -11.682 -5.155 1.00 0.00 H +ATOM 1111 HE2 LYS A 72 5.496 -9.394 -6.763 1.00 0.00 H +ATOM 1112 HE3 LYS A 72 4.669 -10.705 -6.932 1.00 0.00 H +ATOM 1113 HZ1 LYS A 72 3.187 -9.322 -6.248 1.00 0.00 H +ATOM 1114 HZ2 LYS A 72 3.548 -9.924 -4.975 1.00 0.00 H +ATOM 1115 HZ3 LYS A 72 4.078 -8.621 -5.339 1.00 0.00 H +ATOM 1116 N ARG A 73 8.863 -7.484 -4.229 1.00 0.00 N +ATOM 1117 CA ARG A 73 8.851 -6.031 -4.075 1.00 0.00 C +ATOM 1118 C ARG A 73 7.416 -5.525 -3.792 1.00 0.00 C +ATOM 1119 O ARG A 73 7.017 -5.364 -2.648 1.00 0.00 O +ATOM 1120 CB ARG A 73 9.526 -5.392 -5.311 1.00 0.00 C +ATOM 1121 CG ARG A 73 9.454 -3.854 -5.395 1.00 0.00 C +ATOM 1122 CD ARG A 73 10.266 -3.308 -6.576 1.00 0.00 C +ATOM 1123 NE ARG A 73 9.759 -1.997 -6.980 1.00 0.00 N +ATOM 1124 CZ ARG A 73 10.498 -1.044 -7.588 1.00 0.00 C +ATOM 1125 NH1 ARG A 73 11.799 -1.223 -7.798 1.00 0.00 N +ATOM 1126 NH2 ARG A 73 9.905 0.074 -7.985 1.00 0.00 N +ATOM 1127 H ARG A 73 9.128 -7.760 -4.999 1.00 0.00 H +ATOM 1128 HA ARG A 73 9.368 -5.758 -3.301 1.00 0.00 H +ATOM 1129 HB2 ARG A 73 10.459 -5.656 -5.322 1.00 0.00 H +ATOM 1130 HB3 ARG A 73 9.117 -5.762 -6.109 1.00 0.00 H +ATOM 1131 HG2 ARG A 73 8.528 -3.578 -5.484 1.00 0.00 H +ATOM 1132 HG3 ARG A 73 9.786 -3.469 -4.569 1.00 0.00 H +ATOM 1133 HD2 ARG A 73 11.201 -3.237 -6.328 1.00 0.00 H +ATOM 1134 HD3 ARG A 73 10.216 -3.925 -7.323 1.00 0.00 H +ATOM 1135 HE ARG A 73 8.933 -1.821 -6.819 1.00 0.00 H +ATOM 1136 HH11 ARG A 73 12.179 -1.952 -7.546 1.00 0.00 H +ATOM 1137 HH12 ARG A 73 12.260 -0.610 -8.186 1.00 0.00 H +ATOM 1138 HH21 ARG A 73 9.062 0.184 -7.854 1.00 0.00 H +ATOM 1139 HH22 ARG A 73 10.363 0.689 -8.373 1.00 0.00 H +ATOM 1140 N TRP A 74 6.679 -5.239 -4.881 1.00 0.00 N +ATOM 1141 CA TRP A 74 5.322 -4.719 -4.751 1.00 0.00 C +ATOM 1142 C TRP A 74 4.290 -5.854 -4.829 1.00 0.00 C +ATOM 1143 O TRP A 74 4.542 -6.927 -5.378 1.00 0.00 O +ATOM 1144 CB TRP A 74 5.065 -3.630 -5.808 1.00 0.00 C +ATOM 1145 CG TRP A 74 5.078 -4.151 -7.230 1.00 0.00 C +ATOM 1146 CD1 TRP A 74 6.202 -4.387 -8.027 1.00 0.00 C +ATOM 1147 CD2 TRP A 74 3.930 -4.368 -8.070 1.00 0.00 C +ATOM 1148 NE1 TRP A 74 5.801 -4.724 -9.278 1.00 0.00 N +ATOM 1149 CE2 TRP A 74 4.413 -4.718 -9.353 1.00 0.00 C +ATOM 1150 CE3 TRP A 74 2.586 -4.243 -7.847 1.00 0.00 C +ATOM 1151 CZ2 TRP A 74 3.531 -4.922 -10.381 1.00 0.00 C +ATOM 1152 CZ3 TRP A 74 1.688 -4.447 -8.891 1.00 0.00 C +ATOM 1153 CH2 TRP A 74 2.161 -4.779 -10.159 1.00 0.00 C +ATOM 1154 H TRP A 74 6.950 -5.340 -5.691 1.00 0.00 H +ATOM 1155 HA TRP A 74 5.226 -4.309 -3.877 1.00 0.00 H +ATOM 1156 HB2 TRP A 74 4.206 -3.215 -5.631 1.00 0.00 H +ATOM 1157 HB3 TRP A 74 5.739 -2.938 -5.719 1.00 0.00 H +ATOM 1158 HD1 TRP A 74 7.086 -4.323 -7.744 1.00 0.00 H +ATOM 1159 HE1 TRP A 74 6.329 -4.914 -9.930 1.00 0.00 H +ATOM 1160 HE3 TRP A 74 2.273 -4.022 -7.000 1.00 0.00 H +ATOM 1161 HZ2 TRP A 74 3.845 -5.155 -11.225 1.00 0.00 H +ATOM 1162 HZ3 TRP A 74 0.774 -4.362 -8.742 1.00 0.00 H +ATOM 1163 HH2 TRP A 74 1.562 -4.906 -10.859 1.00 0.00 H +ATOM 1164 N GLU A 75 3.090 -5.540 -4.302 1.00 0.00 N +ATOM 1165 CA GLU A 75 1.990 -6.476 -4.458 1.00 0.00 C +ATOM 1166 C GLU A 75 0.659 -5.786 -4.129 1.00 0.00 C +ATOM 1167 O GLU A 75 0.559 -4.936 -3.252 1.00 0.00 O +ATOM 1168 CB GLU A 75 2.165 -7.744 -3.609 1.00 0.00 C +ATOM 1169 CG GLU A 75 1.211 -8.849 -4.097 1.00 0.00 C +ATOM 1170 CD GLU A 75 1.488 -10.190 -3.428 1.00 0.00 C +ATOM 1171 OE1 GLU A 75 2.560 -10.735 -3.666 1.00 0.00 O +ATOM 1172 OE2 GLU A 75 0.625 -10.681 -2.704 1.00 0.00 O +ATOM 1173 H GLU A 75 2.909 -4.819 -3.870 1.00 0.00 H +ATOM 1174 HA GLU A 75 1.986 -6.761 -5.385 1.00 0.00 H +ATOM 1175 HB2 GLU A 75 3.083 -8.053 -3.663 1.00 0.00 H +ATOM 1176 HB3 GLU A 75 1.988 -7.544 -2.677 1.00 0.00 H +ATOM 1177 HG2 GLU A 75 0.295 -8.584 -3.919 1.00 0.00 H +ATOM 1178 HG3 GLU A 75 1.297 -8.946 -5.058 1.00 0.00 H +ATOM 1179 N LEU A 76 -0.339 -6.221 -4.919 1.00 0.00 N +ATOM 1180 CA LEU A 76 -1.708 -5.752 -4.796 1.00 0.00 C +ATOM 1181 C LEU A 76 -2.295 -6.237 -3.460 1.00 0.00 C +ATOM 1182 O LEU A 76 -2.117 -7.385 -3.082 1.00 0.00 O +ATOM 1183 CB LEU A 76 -2.544 -6.354 -5.937 1.00 0.00 C +ATOM 1184 CG LEU A 76 -2.010 -6.121 -7.363 1.00 0.00 C +ATOM 1185 CD1 LEU A 76 -2.949 -6.776 -8.385 1.00 0.00 C +ATOM 1186 CD2 LEU A 76 -1.826 -4.634 -7.687 1.00 0.00 C +ATOM 1187 H LEU A 76 -0.227 -6.802 -5.543 1.00 0.00 H +ATOM 1188 HA LEU A 76 -1.724 -4.783 -4.835 1.00 0.00 H +ATOM 1189 HB2 LEU A 76 -2.617 -7.310 -5.791 1.00 0.00 H +ATOM 1190 HB3 LEU A 76 -3.441 -5.989 -5.883 1.00 0.00 H +ATOM 1191 HG LEU A 76 -1.132 -6.531 -7.414 1.00 0.00 H +ATOM 1192 HD11 LEU A 76 -2.608 -6.626 -9.281 1.00 0.00 H +ATOM 1193 HD12 LEU A 76 -2.999 -7.729 -8.214 1.00 0.00 H +ATOM 1194 HD13 LEU A 76 -3.834 -6.387 -8.307 1.00 0.00 H +ATOM 1195 HD21 LEU A 76 -1.489 -4.539 -8.592 1.00 0.00 H +ATOM 1196 HD22 LEU A 76 -2.679 -4.178 -7.610 1.00 0.00 H +ATOM 1197 HD23 LEU A 76 -1.193 -4.243 -7.064 1.00 0.00 H +ATOM 1198 N CYS A 77 -2.992 -5.317 -2.787 1.00 0.00 N +ATOM 1199 CA CYS A 77 -3.682 -5.585 -1.534 1.00 0.00 C +ATOM 1200 C CYS A 77 -5.134 -5.944 -1.791 1.00 0.00 C +ATOM 1201 O CYS A 77 -5.762 -5.343 -2.650 1.00 0.00 O +ATOM 1202 CB CYS A 77 -3.697 -4.316 -0.700 1.00 0.00 C +ATOM 1203 SG CYS A 77 -2.069 -3.844 -0.134 1.00 0.00 S +ATOM 1204 H CYS A 77 -3.075 -4.505 -3.056 1.00 0.00 H +ATOM 1205 HA CYS A 77 -3.224 -6.314 -1.086 1.00 0.00 H +ATOM 1206 HB2 CYS A 77 -4.075 -3.593 -1.225 1.00 0.00 H +ATOM 1207 HB3 CYS A 77 -4.277 -4.444 0.067 1.00 0.00 H +ATOM 1208 N ASP A 78 -5.669 -6.886 -0.983 1.00 0.00 N +ATOM 1209 CA ASP A 78 -7.106 -7.120 -1.141 1.00 0.00 C +ATOM 1210 C ASP A 78 -7.815 -6.236 -0.105 1.00 0.00 C +ATOM 1211 O ASP A 78 -7.762 -6.446 1.100 1.00 0.00 O +ATOM 1212 CB ASP A 78 -7.547 -8.586 -1.031 1.00 0.00 C +ATOM 1213 CG ASP A 78 -9.005 -8.689 -1.530 1.00 0.00 C +ATOM 1214 OD1 ASP A 78 -9.292 -8.170 -2.615 1.00 0.00 O +ATOM 1215 OD2 ASP A 78 -9.836 -9.256 -0.829 1.00 0.00 O +ATOM 1216 H ASP A 78 -5.257 -7.356 -0.393 1.00 0.00 H +ATOM 1217 HA ASP A 78 -7.353 -6.886 -2.050 1.00 0.00 H +ATOM 1218 HB2 ASP A 78 -6.967 -9.155 -1.561 1.00 0.00 H +ATOM 1219 HB3 ASP A 78 -7.481 -8.891 -0.113 1.00 0.00 H +ATOM 1220 N ILE A 79 -8.439 -5.204 -0.688 1.00 0.00 N +ATOM 1221 CA ILE A 79 -9.132 -4.162 0.046 1.00 0.00 C +ATOM 1222 C ILE A 79 -10.654 -4.337 -0.178 1.00 0.00 C +ATOM 1223 O ILE A 79 -11.091 -4.566 -1.308 1.00 0.00 O +ATOM 1224 CB ILE A 79 -8.616 -2.830 -0.522 1.00 0.00 C +ATOM 1225 CG1 ILE A 79 -7.095 -2.666 -0.372 1.00 0.00 C +ATOM 1226 CG2 ILE A 79 -9.323 -1.607 0.044 1.00 0.00 C +ATOM 1227 CD1 ILE A 79 -6.558 -2.867 1.043 1.00 0.00 C +ATOM 1228 H ILE A 79 -8.466 -5.097 -1.541 1.00 0.00 H +ATOM 1229 HA ILE A 79 -8.973 -4.195 1.002 1.00 0.00 H +ATOM 1230 HB ILE A 79 -8.829 -2.879 -1.467 1.00 0.00 H +ATOM 1231 HG12 ILE A 79 -6.656 -3.298 -0.962 1.00 0.00 H +ATOM 1232 HG13 ILE A 79 -6.848 -1.778 -0.673 1.00 0.00 H +ATOM 1233 HG21 ILE A 79 -8.951 -0.805 -0.354 1.00 0.00 H +ATOM 1234 HG22 ILE A 79 -10.270 -1.658 -0.158 1.00 0.00 H +ATOM 1235 HG23 ILE A 79 -9.199 -1.577 1.006 1.00 0.00 H +ATOM 1236 HD11 ILE A 79 -5.596 -2.745 1.044 1.00 0.00 H +ATOM 1237 HD12 ILE A 79 -6.966 -2.220 1.639 1.00 0.00 H +ATOM 1238 HD13 ILE A 79 -6.771 -3.764 1.346 1.00 0.00 H +ATOM 1239 N PRO A 80 -11.441 -4.228 0.935 1.00 0.00 N +ATOM 1240 CA PRO A 80 -12.865 -4.551 0.923 1.00 0.00 C +ATOM 1241 C PRO A 80 -13.722 -3.599 0.069 1.00 0.00 C +ATOM 1242 O PRO A 80 -13.682 -2.376 0.181 1.00 0.00 O +ATOM 1243 CB PRO A 80 -13.290 -4.492 2.398 1.00 0.00 C +ATOM 1244 CG PRO A 80 -12.256 -3.586 3.064 1.00 0.00 C +ATOM 1245 CD PRO A 80 -10.977 -3.807 2.258 1.00 0.00 C +ATOM 1246 HA PRO A 80 -13.005 -5.419 0.514 1.00 0.00 H +ATOM 1247 HB2 PRO A 80 -14.186 -4.133 2.492 1.00 0.00 H +ATOM 1248 HB3 PRO A 80 -13.295 -5.375 2.799 1.00 0.00 H +ATOM 1249 HG2 PRO A 80 -12.533 -2.657 3.039 1.00 0.00 H +ATOM 1250 HG3 PRO A 80 -12.130 -3.820 3.997 1.00 0.00 H +ATOM 1251 HD2 PRO A 80 -10.449 -2.995 2.205 1.00 0.00 H +ATOM 1252 HD3 PRO A 80 -10.415 -4.484 2.667 1.00 0.00 H +ATOM 1253 N ARG A 81 -14.500 -4.275 -0.791 1.00 0.00 N +ATOM 1254 CA ARG A 81 -15.439 -3.604 -1.669 1.00 0.00 C +ATOM 1255 C ARG A 81 -16.610 -3.060 -0.827 1.00 0.00 C +ATOM 1256 O ARG A 81 -17.127 -3.765 0.029 1.00 0.00 O +ATOM 1257 CB ARG A 81 -15.954 -4.655 -2.675 1.00 0.00 C +ATOM 1258 CG ARG A 81 -16.386 -4.043 -4.010 1.00 0.00 C +ATOM 1259 CD ARG A 81 -15.172 -3.815 -4.918 1.00 0.00 C +ATOM 1260 NE ARG A 81 -15.495 -2.893 -5.992 1.00 0.00 N +ATOM 1261 CZ ARG A 81 -16.122 -3.209 -7.139 1.00 0.00 C +ATOM 1262 NH1 ARG A 81 -16.526 -4.454 -7.370 1.00 0.00 N +ATOM 1263 NH2 ARG A 81 -16.321 -2.240 -8.025 1.00 0.00 N +ATOM 1264 H ARG A 81 -14.490 -5.131 -0.873 1.00 0.00 H +ATOM 1265 HA ARG A 81 -15.022 -2.864 -2.137 1.00 0.00 H +ATOM 1266 HB2 ARG A 81 -15.257 -5.310 -2.836 1.00 0.00 H +ATOM 1267 HB3 ARG A 81 -16.705 -5.129 -2.284 1.00 0.00 H +ATOM 1268 HG2 ARG A 81 -17.020 -4.630 -4.451 1.00 0.00 H +ATOM 1269 HG3 ARG A 81 -16.841 -3.201 -3.853 1.00 0.00 H +ATOM 1270 HD2 ARG A 81 -14.434 -3.463 -4.396 1.00 0.00 H +ATOM 1271 HD3 ARG A 81 -14.878 -4.661 -5.290 1.00 0.00 H +ATOM 1272 HE ARG A 81 -15.265 -2.071 -5.885 1.00 0.00 H +ATOM 1273 HH11 ARG A 81 -16.387 -5.067 -6.783 1.00 0.00 H +ATOM 1274 HH12 ARG A 81 -16.926 -4.647 -8.106 1.00 0.00 H +ATOM 1275 HH21 ARG A 81 -16.052 -1.441 -7.856 1.00 0.00 H +ATOM 1276 HH22 ARG A 81 -16.719 -2.412 -8.768 1.00 0.00 H +ATOM 1277 N CYS A 82 -17.023 -1.809 -1.106 1.00 0.00 N +ATOM 1278 CA CYS A 82 -18.199 -1.305 -0.391 1.00 0.00 C +ATOM 1279 C CYS A 82 -19.456 -2.041 -0.893 1.00 0.00 C +ATOM 1280 O CYS A 82 -19.912 -1.812 -2.006 1.00 0.00 O +ATOM 1281 CB CYS A 82 -18.408 0.194 -0.628 1.00 0.00 C +ATOM 1282 SG CYS A 82 -17.119 1.266 0.045 1.00 0.00 S +ATOM 1283 H CYS A 82 -16.660 -1.270 -1.670 1.00 0.00 H +ATOM 1284 HA CYS A 82 -18.052 -1.458 0.556 1.00 0.00 H +ATOM 1285 HB2 CYS A 82 -18.472 0.350 -1.583 1.00 0.00 H +ATOM 1286 HB3 CYS A 82 -19.259 0.453 -0.240 1.00 0.00 H +ATOM 1287 N THR A 83 -19.986 -2.906 -0.013 1.00 0.00 N +ATOM 1288 CA THR A 83 -21.193 -3.666 -0.311 1.00 0.00 C +ATOM 1289 C THR A 83 -22.186 -3.456 0.845 1.00 0.00 C +ATOM 1290 O THR A 83 -23.266 -2.915 0.619 1.00 0.00 O +ATOM 1291 CB THR A 83 -20.815 -5.155 -0.435 1.00 0.00 C +ATOM 1292 OG1 THR A 83 -20.112 -5.599 0.713 1.00 0.00 O +ATOM 1293 CG2 THR A 83 -19.916 -5.419 -1.648 1.00 0.00 C +ATOM 1294 OXT THR A 83 -21.851 -3.847 1.966 1.00 0.00 O +ATOM 1295 H THR A 83 -19.653 -3.062 0.764 1.00 0.00 H +ATOM 1296 HA THR A 83 -21.599 -3.374 -1.142 1.00 0.00 H +ATOM 1297 HB THR A 83 -21.652 -5.635 -0.534 1.00 0.00 H +ATOM 1298 HG1 THR A 83 -19.905 -6.408 0.620 1.00 0.00 H +ATOM 1299 HG21 THR A 83 -19.700 -6.364 -1.692 1.00 0.00 H +ATOM 1300 HG22 THR A 83 -20.380 -5.156 -2.458 1.00 0.00 H +ATOM 1301 HG23 THR A 83 -19.098 -4.905 -1.563 1.00 0.00 H +TER 1302 THR A 83 +CONECT 63 1282 +CONECT 359 1001 +CONECT 807 1203 +CONECT 1001 359 +CONECT 1203 807 +CONECT 1282 63 +END