Browse entries in the PDBbind-CN Database
HEADER 1PY2_COMPLEX COMPND 1PY2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 26 SER THR LYS LYS THR GLN LEU GLN LEU GLU HIS LEU LEU SEQRES 2 A 26 LEU ASP LEU GLN MET ILE LEU ASN GLY ILE ASN ASN TYR SEQRES 1 A 40 PRO LYS LEU THR ARG MET LEU THR PHE LYS PHE TYR MET SEQRES 2 A 40 PRO LYS LYS ALA THR GLU LEU LYS HIS LEU GLN CYS LEU SEQRES 3 A 40 GLU GLU GLU LEU LYS PRO LEU GLU GLU VAL LEU ASN LEU SEQRES 4 A 40 ALA SEQRES 1 A 1 PHE SEQRES 1 A 17 ARG PRO ARG ASP LEU ILE SER ASN ILE ASN VAL ILE VAL SEQRES 2 A 17 LEU GLU LEU LYS SEQRES 1 A 33 GLU THR THR PHE MET CYS GLU TYR ALA ASP GLU THR ALA SEQRES 2 A 33 THR ILE VAL GLU PHE LEU ASN ARG TRP ILE THR PHE CYS SEQRES 3 A 33 GLN SER ILE ILE SER THR LEU HET FRH A 118 82 SSBOND 1 CYS A 58 CYS A 105 ATOM 1 N SER A 6 9.428 -20.242 0.382 1.00 94.47 N ATOM 2 CA SER A 6 10.174 -19.187 -0.364 1.00 90.94 C ATOM 3 C SER A 6 9.798 -17.782 0.104 1.00 88.06 C ATOM 4 O SER A 6 10.653 -16.898 0.176 1.00 85.17 O ATOM 5 CB SER A 6 9.935 -19.323 -1.870 1.00 92.57 C ATOM 6 OG SER A 6 10.832 -18.509 -2.606 1.00 90.46 O ATOM 7 HA SER A 6 11.234 -19.332 -0.156 1.00 0.00 H ATOM 8 HB2 SER A 6 8.912 -19.021 -2.097 1.00 0.00 H ATOM 9 HB3 SER A 6 10.078 -20.364 -2.161 1.00 0.00 H ATOM 10 HG SER A 6 10.655 -18.617 -3.574 1.00 0.00 H ATOM 11 HN3 SER A 6 8.407 -20.112 0.235 1.00 0.00 H ATOM 12 HN2 SER A 6 9.646 -20.167 1.396 1.00 0.00 H ATOM 13 HN1 SER A 6 9.713 -21.179 0.033 1.00 0.00 H ATOM 14 N THR A 7 8.518 -17.589 0.418 1.00 88.64 N ATOM 15 CA THR A 7 8.010 -16.299 0.882 1.00 86.05 C ATOM 16 C THR A 7 8.474 -15.972 2.301 1.00 83.15 C ATOM 17 O THR A 7 8.715 -14.809 2.627 1.00 80.99 O ATOM 18 CB THR A 7 6.471 -16.266 0.803 1.00 89.48 C ATOM 19 OG1 THR A 7 6.088 -16.471 -0.569 1.00120.77 O ATOM 20 CG2 THR A 7 6.070 -14.429 0.525 1.00117.64 C ATOM 21 HA THR A 7 8.420 -15.535 0.221 1.00 0.00 H ATOM 22 HB THR A 7 6.071 -16.882 1.608 1.00 0.00 H ATOM 23 HG1 THR A 7 5.101 -16.453 -0.641 1.00 0.00 H ATOM 24 HG23 THR A 7 6.255 -13.875 1.445 1.00 0.00 H ATOM 25 HG21 THR A 7 6.703 -14.037 -0.271 1.00 0.00 H ATOM 26 HG22 THR A 7 5.023 -14.326 0.242 1.00 0.00 H ATOM 27 H THR A 7 7.855 -18.386 0.330 1.00 0.00 H ATOM 28 N LYS A 8 8.596 -17.005 3.134 1.00 82.96 N ATOM 29 CA LYS A 8 9.040 -16.850 4.518 1.00 80.53 C ATOM 30 C LYS A 8 10.530 -16.529 4.609 1.00 75.70 C ATOM 31 O LYS A 8 10.959 -15.811 5.514 1.00 74.31 O ATOM 32 CB LYS A 8 8.720 -18.109 5.328 1.00 83.94 C ATOM 33 CG LYS A 8 7.780 -17.883 4.578 1.00 90.92 C ATOM 34 CD LYS A 8 7.248 -18.730 5.745 1.00 99.75 C ATOM 35 CE LYS A 8 5.880 -19.315 5.489 1.00105.63 C ATOM 36 NZ LYS A 8 5.372 -20.074 6.665 1.00111.70 N ATOM 37 HA LYS A 8 8.495 -16.005 4.939 1.00 0.00 H ATOM 38 HB2 LYS A 8 9.318 -19.001 5.143 1.00 0.00 H ATOM 39 HB3 LYS A 8 8.556 -17.999 6.400 1.00 0.00 H ATOM 40 HG2 LYS A 8 7.431 -16.854 4.497 1.00 0.00 H ATOM 41 HG3 LYS A 8 7.799 -18.338 3.588 1.00 0.00 H ATOM 42 HD2 LYS A 8 7.946 -19.548 5.924 1.00 0.00 H ATOM 43 HD3 LYS A 8 7.194 -18.100 6.633 1.00 0.00 H ATOM 44 HE2 LYS A 8 5.939 -19.988 4.633 1.00 0.00 H ATOM 45 HE3 LYS A 8 5.186 -18.505 5.266 1.00 0.00 H ATOM 46 HZ1 LYS A 8 6.025 -20.854 6.881 1.00 0.00 H ATOM 47 HZ2 LYS A 8 5.307 -19.438 7.485 1.00 0.00 H ATOM 48 HZ3 LYS A 8 4.431 -20.459 6.447 1.00 0.00 H ATOM 49 H LYS A 8 8.367 -17.958 2.786 1.00 0.00 H ATOM 50 N LYS A 9 11.310 -17.064 3.671 1.00 73.26 N ATOM 51 CA LYS A 9 12.749 -16.804 3.607 1.00 69.08 C ATOM 52 C LYS A 9 13.049 -15.373 3.161 1.00 65.05 C ATOM 53 O LYS A 9 14.039 -14.780 3.589 1.00 63.13 O ATOM 54 CB LYS A 9 13.440 -17.805 2.679 1.00 69.21 C ATOM 55 CG LYS A 9 14.683 -18.447 3.276 1.00 69.16 C ATOM 56 CD LYS A 9 15.761 -18.651 2.224 1.00 68.60 C ATOM 57 CE LYS A 9 17.103 -18.988 1.609 1.00 85.30 C ATOM 58 NZ LYS A 9 17.685 -20.079 0.785 1.00 88.36 N ATOM 59 HA LYS A 9 13.144 -16.927 4.615 1.00 0.00 H ATOM 60 HB2 LYS A 9 12.729 -18.595 2.436 1.00 0.00 H ATOM 61 HB3 LYS A 9 13.728 -17.284 1.766 1.00 0.00 H ATOM 62 HG2 LYS A 9 15.073 -17.802 4.063 1.00 0.00 H ATOM 63 HG3 LYS A 9 14.414 -19.414 3.701 1.00 0.00 H ATOM 64 HD2 LYS A 9 15.182 -19.336 1.605 1.00 0.00 H ATOM 65 HD3 LYS A 9 15.699 -17.646 1.807 1.00 0.00 H ATOM 66 HE2 LYS A 9 17.761 -18.981 2.478 1.00 0.00 H ATOM 67 HE3 LYS A 9 17.302 -18.108 0.997 1.00 0.00 H ATOM 68 HZ1 LYS A 9 17.606 -20.980 1.299 1.00 0.00 H ATOM 69 HZ2 LYS A 9 17.168 -20.146 -0.115 1.00 0.00 H ATOM 70 HZ3 LYS A 9 18.687 -19.873 0.596 1.00 0.00 H ATOM 71 H LYS A 9 10.881 -17.689 2.959 1.00 0.00 H ATOM 72 N THR A 10 12.189 -14.832 2.299 1.00 63.63 N ATOM 73 CA THR A 10 12.289 -13.446 1.847 1.00 60.13 C ATOM 74 C THR A 10 11.944 -12.481 2.985 1.00 59.19 C ATOM 75 O THR A 10 12.625 -11.469 3.178 1.00 56.83 O ATOM 76 CB THR A 10 11.374 -13.213 0.617 1.00 60.82 C ATOM 77 OG1 THR A 10 11.818 -14.032 -0.471 1.00 61.03 O ATOM 78 CG2 THR A 10 11.535 -11.799 0.065 1.00 58.71 C ATOM 79 HA THR A 10 13.318 -13.250 1.545 1.00 0.00 H ATOM 80 HB THR A 10 10.357 -13.420 0.949 1.00 0.00 H ATOM 81 HG1 THR A 10 11.776 -14.984 -0.204 1.00 0.00 H ATOM 82 HG23 THR A 10 11.222 -11.078 0.820 1.00 0.00 H ATOM 83 HG21 THR A 10 12.580 -11.627 -0.192 1.00 0.00 H ATOM 84 HG22 THR A 10 10.918 -11.686 -0.826 1.00 0.00 H ATOM 85 H THR A 10 11.414 -15.421 1.932 1.00 0.00 H ATOM 86 N GLN A 11 10.896 -12.813 3.737 1.00 60.70 N ATOM 87 CA GLN A 11 10.455 -12.009 4.876 1.00 60.47 C ATOM 88 C GLN A 11 11.502 -11.955 5.990 1.00 58.14 C ATOM 89 O GLN A 11 11.686 -10.914 6.622 1.00 57.05 O ATOM 90 CB GLN A 11 9.130 -12.543 5.426 1.00 64.82 C ATOM 91 CG GLN A 11 8.233 -11.476 6.036 1.00 67.13 C ATOM 92 CD GLN A 11 7.732 -11.850 7.419 1.00 70.41 C ATOM 93 OE1 GLN A 11 6.851 -12.700 7.557 1.00 73.97 O ATOM 94 NE2 GLN A 11 8.290 -11.217 8.444 1.00 69.73 N ATOM 95 HA GLN A 11 10.313 -10.991 4.512 1.00 0.00 H ATOM 96 HB2 GLN A 11 8.588 -13.020 4.609 1.00 0.00 H ATOM 97 HB3 GLN A 11 9.352 -13.284 6.194 1.00 0.00 H ATOM 98 HG2 GLN A 11 8.797 -10.546 6.109 1.00 0.00 H ATOM 99 HG3 GLN A 11 7.374 -11.327 5.382 1.00 0.00 H ATOM 100 HE22 GLN A 11 9.031 -10.507 8.276 1.00 0.00 H ATOM 101 HE21 GLN A 11 7.986 -11.431 9.415 1.00 0.00 H ATOM 102 H GLN A 11 10.370 -13.679 3.505 1.00 0.00 H ATOM 103 N LEU A 12 12.183 -13.076 6.218 1.00 57.49 N ATOM 104 CA LEU A 12 13.214 -13.166 7.251 1.00 55.95 C ATOM 105 C LEU A 12 14.546 -12.556 6.814 1.00 52.34 C ATOM 106 O LEU A 12 15.329 -12.104 7.652 1.00 51.05 O ATOM 107 CB LEU A 12 13.411 -14.619 7.693 1.00 57.84 C ATOM 108 CG LEU A 12 12.408 -15.162 8.713 1.00 61.03 C ATOM 109 CD1 LEU A 12 12.463 -16.680 8.755 1.00 63.45 C ATOM 110 CD2 LEU A 12 12.651 -14.578 10.101 1.00 61.94 C ATOM 111 HA LEU A 12 12.859 -12.578 8.098 1.00 0.00 H ATOM 112 HB2 LEU A 12 13.353 -15.247 6.804 1.00 0.00 H ATOM 113 HB3 LEU A 12 14.406 -14.701 8.130 1.00 0.00 H ATOM 114 HG LEU A 12 11.411 -14.856 8.396 1.00 0.00 H ATOM 115 HD21 LEU A 12 13.656 -14.838 10.432 1.00 0.00 H ATOM 116 HD22 LEU A 12 12.550 -13.493 10.060 1.00 0.00 H ATOM 117 HD23 LEU A 12 11.920 -14.986 10.799 1.00 0.00 H ATOM 118 HD11 LEU A 12 12.219 -17.079 7.770 1.00 0.00 H ATOM 119 HD12 LEU A 12 13.466 -16.998 9.039 1.00 0.00 H ATOM 120 HD13 LEU A 12 11.743 -17.048 9.486 1.00 0.00 H ATOM 121 H LEU A 12 11.975 -13.916 5.642 1.00 0.00 H ATOM 122 N GLN A 13 14.799 -12.553 5.506 1.00 50.88 N ATOM 123 CA GLN A 13 15.975 -11.895 4.940 1.00 48.53 C ATOM 124 C GLN A 13 15.852 -10.376 5.073 1.00 46.76 C ATOM 125 O GLN A 13 16.797 -9.704 5.490 1.00 45.29 O ATOM 126 CB GLN A 13 16.161 -12.288 3.472 1.00 48.21 C ATOM 127 CG GLN A 13 17.274 -13.299 3.224 1.00 49.09 C ATOM 128 CD GLN A 13 17.036 -14.158 1.988 1.00 50.57 C ATOM 129 OE1 GLN A 13 16.654 -13.650 0.931 1.00 49.75 O ATOM 130 NE2 GLN A 13 17.269 -15.459 2.118 1.00 52.59 N ATOM 131 HA GLN A 13 16.852 -12.224 5.497 1.00 0.00 H ATOM 132 HB2 GLN A 13 15.225 -12.717 3.113 1.00 0.00 H ATOM 133 HB3 GLN A 13 16.388 -11.386 2.904 1.00 0.00 H ATOM 134 HG2 GLN A 13 18.212 -12.759 3.096 1.00 0.00 H ATOM 135 HG3 GLN A 13 17.349 -13.953 4.093 1.00 0.00 H ATOM 136 HE22 GLN A 13 17.590 -15.841 3.030 1.00 0.00 H ATOM 137 HE21 GLN A 13 17.130 -16.096 1.307 1.00 0.00 H ATOM 138 H GLN A 13 14.137 -13.036 4.865 1.00 0.00 H ATOM 139 N LEU A 14 14.676 -9.852 4.726 1.00 47.08 N ATOM 140 CA LEU A 14 14.375 -8.425 4.843 1.00 45.94 C ATOM 141 C LEU A 14 14.382 -7.954 6.296 1.00 46.29 C ATOM 142 O LEU A 14 14.810 -6.836 6.586 1.00 45.43 O ATOM 143 CB LEU A 14 13.021 -8.109 4.203 1.00 47.21 C ATOM 144 CG LEU A 14 13.033 -7.701 2.729 1.00 46.65 C ATOM 145 CD1 LEU A 14 11.919 -8.405 1.974 1.00 48.41 C ATOM 146 CD2 LEU A 14 12.911 -6.192 2.587 1.00 46.82 C ATOM 147 HA LEU A 14 15.162 -7.887 4.314 1.00 0.00 H ATOM 148 HB2 LEU A 14 12.397 -8.998 4.294 1.00 0.00 H ATOM 149 HB3 LEU A 14 12.572 -7.292 4.768 1.00 0.00 H ATOM 150 HG LEU A 14 13.986 -8.005 2.296 1.00 0.00 H ATOM 151 HD21 LEU A 14 11.975 -5.860 3.037 1.00 0.00 H ATOM 152 HD22 LEU A 14 13.749 -5.712 3.093 1.00 0.00 H ATOM 153 HD23 LEU A 14 12.922 -5.926 1.530 1.00 0.00 H ATOM 154 HD11 LEU A 14 12.059 -9.484 2.045 1.00 0.00 H ATOM 155 HD12 LEU A 14 10.958 -8.133 2.410 1.00 0.00 H ATOM 156 HD13 LEU A 14 11.944 -8.102 0.927 1.00 0.00 H ATOM 157 H LEU A 14 13.940 -10.486 4.356 1.00 0.00 H ATOM 158 N GLU A 15 13.903 -8.812 7.197 1.00 48.30 N ATOM 159 CA GLU A 15 13.902 -8.526 8.630 1.00 50.11 C ATOM 160 C GLU A 15 15.322 -8.488 9.200 1.00 49.14 C ATOM 161 O GLU A 15 15.616 -7.692 10.096 1.00 49.97 O ATOM 162 CB GLU A 15 13.055 -9.556 9.381 1.00 53.84 C ATOM 163 CG GLU A 15 11.596 -9.161 9.551 1.00 57.61 C ATOM 164 CD GLU A 15 10.819 -10.135 10.416 1.00 61.57 C ATOM 165 OE1 GLU A 15 10.395 -9.739 11.522 1.00 64.42 O ATOM 166 OE2 GLU A 15 10.628 -11.296 9.993 1.00 62.51 O ATOM 167 HA GLU A 15 13.463 -7.538 8.768 1.00 0.00 H ATOM 168 HB2 GLU A 15 13.093 -10.496 8.831 1.00 0.00 H ATOM 169 HB3 GLU A 15 13.488 -9.698 10.371 1.00 0.00 H ATOM 170 HG2 GLU A 15 11.554 -8.175 10.013 1.00 0.00 H ATOM 171 HG3 GLU A 15 11.129 -9.120 8.567 1.00 0.00 H ATOM 172 H GLU A 15 13.515 -9.719 6.868 1.00 0.00 H ATOM 173 N HIS A 16 16.192 -9.351 8.674 1.00 47.70 N ATOM 174 CA HIS A 16 17.603 -9.374 9.054 1.00 46.12 C ATOM 175 C HIS A 16 18.331 -8.137 8.533 1.00 42.87 C ATOM 176 O HIS A 16 19.222 -7.605 9.199 1.00 42.48 O ATOM 177 CB HIS A 16 18.281 -10.644 8.534 1.00 47.37 C ATOM 178 CG HIS A 16 19.582 -10.960 9.209 1.00 48.89 C ATOM 179 ND1 HIS A 16 20.486 -11.861 8.690 1.00 50.16 N ATOM 180 CD2 HIS A 16 20.128 -10.501 10.360 1.00 49.92 C ATOM 181 CE1 HIS A 16 21.535 -11.942 9.490 1.00 51.22 C ATOM 182 NE2 HIS A 16 21.342 -11.126 10.510 1.00 51.35 N ATOM 183 HA HIS A 16 17.656 -9.370 10.143 1.00 0.00 H ATOM 184 HB2 HIS A 16 17.602 -11.483 8.687 1.00 0.00 H ATOM 185 HB3 HIS A 16 18.469 -10.521 7.467 1.00 0.00 H ATOM 186 HD2 HIS A 16 19.687 -9.772 11.040 1.00 0.00 H ATOM 187 HE1 HIS A 16 22.409 -12.574 9.334 1.00 0.00 H ATOM 188 H HIS A 16 15.853 -10.034 7.966 1.00 0.00 H ATOM 189 N LEU A 17 17.945 -7.688 7.340 1.00 40.01 N ATOM 190 CA LEU A 17 18.492 -6.467 6.756 1.00 37.57 C ATOM 191 C LEU A 17 18.037 -5.240 7.542 1.00 38.05 C ATOM 192 O LEU A 17 18.818 -4.313 7.764 1.00 37.29 O ATOM 193 CB LEU A 17 18.091 -6.344 5.282 1.00 36.21 C ATOM 194 CG LEU A 17 18.689 -5.193 4.462 1.00 34.12 C ATOM 195 CD1 LEU A 17 20.205 -5.286 4.398 1.00 32.48 C ATOM 196 CD2 LEU A 17 18.097 -5.167 3.062 1.00 34.17 C ATOM 197 HA LEU A 17 19.579 -6.522 6.811 1.00 0.00 H ATOM 198 HB2 LEU A 17 18.376 -7.274 4.790 1.00 0.00 H ATOM 199 HB3 LEU A 17 17.007 -6.235 5.250 1.00 0.00 H ATOM 200 HG LEU A 17 18.433 -4.261 4.965 1.00 0.00 H ATOM 201 HD21 LEU A 17 18.315 -6.109 2.559 1.00 0.00 H ATOM 202 HD22 LEU A 17 17.018 -5.030 3.128 1.00 0.00 H ATOM 203 HD23 LEU A 17 18.535 -4.343 2.499 1.00 0.00 H ATOM 204 HD11 LEU A 17 20.613 -5.241 5.408 1.00 0.00 H ATOM 205 HD12 LEU A 17 20.491 -6.229 3.931 1.00 0.00 H ATOM 206 HD13 LEU A 17 20.594 -4.455 3.810 1.00 0.00 H ATOM 207 H LEU A 17 17.231 -8.225 6.807 1.00 0.00 H ATOM 208 N LEU A 18 16.772 -5.254 7.961 1.00 40.11 N ATOM 209 CA LEU A 18 16.192 -4.181 8.765 1.00 41.33 C ATOM 210 C LEU A 18 16.918 -4.015 10.099 1.00 41.93 C ATOM 211 O LEU A 18 17.197 -2.893 10.520 1.00 42.82 O ATOM 212 CB LEU A 18 14.698 -4.440 8.999 1.00 43.85 C ATOM 213 CG LEU A 18 13.900 -3.428 9.827 1.00 45.65 C ATOM 214 CD1 LEU A 18 13.657 -2.156 9.036 1.00 45.47 C ATOM 215 CD2 LEU A 18 12.585 -4.033 10.290 1.00 48.18 C ATOM 216 HA LEU A 18 16.311 -3.251 8.209 1.00 0.00 H ATOM 217 HB2 LEU A 18 14.224 -4.499 8.019 1.00 0.00 H ATOM 218 HB3 LEU A 18 14.613 -5.404 9.500 1.00 0.00 H ATOM 219 HG LEU A 18 14.487 -3.171 10.709 1.00 0.00 H ATOM 220 HD21 LEU A 18 11.994 -4.323 9.421 1.00 0.00 H ATOM 221 HD22 LEU A 18 12.787 -4.911 10.904 1.00 0.00 H ATOM 222 HD23 LEU A 18 12.034 -3.297 10.876 1.00 0.00 H ATOM 223 HD11 LEU A 18 14.614 -1.711 8.763 1.00 0.00 H ATOM 224 HD12 LEU A 18 13.095 -2.393 8.133 1.00 0.00 H ATOM 225 HD13 LEU A 18 13.089 -1.454 9.646 1.00 0.00 H ATOM 226 H LEU A 18 16.172 -6.064 7.705 1.00 0.00 H ATOM 227 N LEU A 19 17.223 -5.138 10.744 1.00 42.13 N ATOM 228 CA LEU A 19 17.927 -5.147 12.024 1.00 42.93 C ATOM 229 C LEU A 19 19.346 -4.594 11.925 1.00 41.39 C ATOM 230 O LEU A 19 19.773 -3.825 12.785 1.00 41.64 O ATOM 231 CB LEU A 19 17.969 -6.563 12.597 1.00 44.95 C ATOM 232 CG LEU A 19 17.424 -6.735 14.013 1.00 48.31 C ATOM 233 CD1 LEU A 19 16.711 -8.066 14.127 1.00 50.75 C ATOM 234 CD2 LEU A 19 18.537 -6.630 15.043 1.00 48.90 C ATOM 235 HA LEU A 19 17.368 -4.490 12.690 1.00 0.00 H ATOM 236 HB2 LEU A 19 17.388 -7.206 11.936 1.00 0.00 H ATOM 237 HB3 LEU A 19 19.009 -6.890 12.599 1.00 0.00 H ATOM 238 HG LEU A 19 16.713 -5.933 14.214 1.00 0.00 H ATOM 239 HD21 LEU A 19 19.278 -7.408 14.856 1.00 0.00 H ATOM 240 HD22 LEU A 19 19.010 -5.651 14.967 1.00 0.00 H ATOM 241 HD23 LEU A 19 18.119 -6.756 16.042 1.00 0.00 H ATOM 242 HD11 LEU A 19 15.886 -8.097 13.415 1.00 0.00 H ATOM 243 HD12 LEU A 19 17.412 -8.872 13.908 1.00 0.00 H ATOM 244 HD13 LEU A 19 16.324 -8.184 15.139 1.00 0.00 H ATOM 245 H LEU A 19 16.949 -6.047 10.319 1.00 0.00 H ATOM 246 N ASP A 20 20.066 -4.991 10.877 1.00 40.67 N ATOM 247 CA ASP A 20 21.449 -4.562 10.666 1.00 39.66 C ATOM 248 C ASP A 20 21.554 -3.054 10.450 1.00 37.71 C ATOM 249 O ASP A 20 22.432 -2.401 11.017 1.00 37.31 O ATOM 250 CB ASP A 20 22.077 -5.316 9.489 1.00 38.90 C ATOM 251 CG ASP A 20 22.417 -6.762 9.826 1.00 40.54 C ATOM 252 OD1 ASP A 20 22.160 -7.198 10.969 1.00 42.07 O ATOM 253 OD2 ASP A 20 22.944 -7.540 9.001 1.00 40.68 O ATOM 254 HA ASP A 20 22.002 -4.802 11.574 1.00 0.00 H ATOM 255 HB2 ASP A 20 21.374 -5.309 8.656 1.00 0.00 H ATOM 256 HB3 ASP A 20 22.992 -4.802 9.195 1.00 0.00 H ATOM 257 H ASP A 20 19.629 -5.630 10.183 1.00 0.00 H ATOM 258 N LEU A 21 20.649 -2.512 9.637 1.00 36.78 N ATOM 259 CA LEU A 21 20.585 -1.074 9.393 1.00 36.09 C ATOM 260 C LEU A 21 20.164 -0.331 10.656 1.00 38.92 C ATOM 261 O LEU A 21 20.663 0.761 10.935 1.00 39.36 O ATOM 262 CB LEU A 21 19.627 -0.757 8.238 1.00 34.14 C ATOM 263 CG LEU A 21 20.000 -1.232 6.826 1.00 31.47 C ATOM 264 CD1 LEU A 21 18.799 -1.125 5.904 1.00 30.96 C ATOM 265 CD2 LEU A 21 21.185 -0.463 6.249 1.00 29.70 C ATOM 266 HA LEU A 21 21.582 -0.736 9.111 1.00 0.00 H ATOM 267 HB2 LEU A 21 18.665 -1.206 8.485 1.00 0.00 H ATOM 268 HB3 LEU A 21 19.521 0.327 8.196 1.00 0.00 H ATOM 269 HG LEU A 21 20.304 -2.276 6.904 1.00 0.00 H ATOM 270 HD21 LEU A 21 20.937 0.597 6.194 1.00 0.00 H ATOM 271 HD22 LEU A 21 22.054 -0.601 6.892 1.00 0.00 H ATOM 272 HD23 LEU A 21 21.408 -0.837 5.250 1.00 0.00 H ATOM 273 HD11 LEU A 21 17.991 -1.747 6.289 1.00 0.00 H ATOM 274 HD12 LEU A 21 18.470 -0.087 5.857 1.00 0.00 H ATOM 275 HD13 LEU A 21 19.077 -1.465 4.906 1.00 0.00 H ATOM 276 H LEU A 21 19.965 -3.134 9.160 1.00 0.00 H ATOM 277 N GLN A 22 19.253 -0.941 11.415 1.00 41.93 N ATOM 278 CA GLN A 22 18.796 -0.406 12.698 1.00 45.19 C ATOM 279 C GLN A 22 19.903 -0.433 13.754 1.00 47.24 C ATOM 280 O GLN A 22 19.975 0.452 14.607 1.00 49.11 O ATOM 281 CB GLN A 22 17.580 -1.188 13.198 1.00 47.42 C ATOM 282 CG GLN A 22 16.325 -0.348 13.401 1.00 50.58 C ATOM 283 CD GLN A 22 15.044 -1.140 13.193 1.00 52.76 C ATOM 284 OE1 GLN A 22 14.736 -2.052 13.962 1.00 54.81 O ATOM 285 NE2 GLN A 22 14.293 -0.790 12.156 1.00 52.85 N ATOM 286 HA GLN A 22 18.516 0.635 12.535 1.00 0.00 H ATOM 287 HB2 GLN A 22 17.354 -1.967 12.470 1.00 0.00 H ATOM 288 HB3 GLN A 22 17.840 -1.648 14.152 1.00 0.00 H ATOM 289 HG2 GLN A 22 16.330 0.046 14.417 1.00 0.00 H ATOM 290 HG3 GLN A 22 16.342 0.480 12.692 1.00 0.00 H ATOM 291 HE22 GLN A 22 14.595 -0.013 11.534 1.00 0.00 H ATOM 292 HE21 GLN A 22 13.403 -1.293 11.965 1.00 0.00 H ATOM 293 H GLN A 22 18.849 -1.839 11.080 1.00 0.00 H ATOM 294 N MET A 23 20.758 -1.454 13.686 1.00 47.98 N ATOM 295 CA MET A 23 21.884 -1.604 14.606 1.00 49.87 C ATOM 296 C MET A 23 22.947 -0.531 14.383 1.00 48.43 C ATOM 297 O MET A 23 23.578 -0.070 15.337 1.00 50.08 O ATOM 298 CB MET A 23 22.508 -2.995 14.470 1.00 52.32 C ATOM 299 CG MET A 23 22.030 -3.997 15.508 1.00 57.30 C ATOM 300 SD MET A 23 22.064 -5.698 14.899 1.00 60.24 S ATOM 301 CE MET A 23 23.717 -6.215 15.400 1.00 60.90 C ATOM 302 HA MET A 23 21.494 -1.483 15.617 1.00 0.00 H ATOM 303 HB2 MET A 23 22.264 -3.384 13.481 1.00 0.00 H ATOM 304 HB3 MET A 23 23.589 -2.895 14.563 1.00 0.00 H ATOM 305 HG2 MET A 23 21.007 -3.747 15.790 1.00 0.00 H ATOM 306 HG3 MET A 23 22.674 -3.927 16.384 1.00 0.00 H ATOM 307 HE1 MET A 23 24.457 -5.570 14.927 1.00 0.00 H ATOM 308 HE2 MET A 23 23.807 -6.140 16.484 1.00 0.00 H ATOM 309 HE3 MET A 23 23.883 -7.247 15.091 1.00 0.00 H ATOM 310 H MET A 23 20.618 -2.173 12.948 1.00 0.00 H ATOM 311 N ILE A 24 23.141 -0.144 13.122 1.00 45.05 N ATOM 312 CA ILE A 24 24.089 0.911 12.765 1.00 43.53 C ATOM 313 C ILE A 24 23.572 2.285 13.210 1.00 44.66 C ATOM 314 O ILE A 24 24.311 3.059 13.824 1.00 45.65 O ATOM 315 CB ILE A 24 24.402 0.890 11.240 1.00 41.04 C ATOM 316 CG1 ILE A 24 25.122 -0.407 10.851 1.00 39.95 C ATOM 317 CG2 ILE A 24 25.241 2.108 10.832 1.00 40.39 C ATOM 318 CD1 ILE A 24 24.910 -0.833 9.411 1.00 37.43 C ATOM 319 HA ILE A 24 25.022 0.720 13.295 1.00 0.00 H ATOM 320 HB ILE A 24 23.453 0.935 10.705 1.00 0.00 H ATOM 321 HG12 ILE A 24 26.191 -0.265 11.011 1.00 0.00 H ATOM 322 HG13 ILE A 24 24.761 -1.205 11.500 1.00 0.00 H ATOM 323 HD11 ILE A 24 23.847 -0.993 9.234 1.00 0.00 H ATOM 324 HD12 ILE A 24 25.277 -0.052 8.745 1.00 0.00 H ATOM 325 HD13 ILE A 24 25.454 -1.758 9.223 1.00 0.00 H ATOM 326 HG21 ILE A 24 24.691 3.020 11.063 1.00 0.00 H ATOM 327 HG22 ILE A 24 26.182 2.100 11.382 1.00 0.00 H ATOM 328 HG23 ILE A 24 25.444 2.066 9.762 1.00 0.00 H ATOM 329 H ILE A 24 22.599 -0.609 12.366 1.00 0.00 H ATOM 330 N LEU A 25 22.303 2.565 12.914 1.00 44.47 N ATOM 331 CA LEU A 25 21.677 3.850 13.234 1.00 45.71 C ATOM 332 C LEU A 25 21.614 4.128 14.738 1.00 48.51 C ATOM 333 O LEU A 25 21.778 5.273 15.166 1.00 49.63 O ATOM 334 CB LEU A 25 20.278 3.941 12.608 1.00 45.58 C ATOM 335 CG LEU A 25 19.487 5.250 12.748 1.00 46.85 C ATOM 336 CD1 LEU A 25 19.936 6.299 11.735 1.00 46.48 C ATOM 337 CD2 LEU A 25 17.996 4.989 12.620 1.00 47.77 C ATOM 338 HA LEU A 25 22.314 4.622 12.802 1.00 0.00 H ATOM 339 HB2 LEU A 25 20.391 3.748 11.541 1.00 0.00 H ATOM 340 HB3 LEU A 25 19.674 3.152 13.057 1.00 0.00 H ATOM 341 HG LEU A 25 19.691 5.649 13.742 1.00 0.00 H ATOM 342 HD21 LEU A 25 17.787 4.552 11.643 1.00 0.00 H ATOM 343 HD22 LEU A 25 17.681 4.299 13.403 1.00 0.00 H ATOM 344 HD23 LEU A 25 17.454 5.929 12.722 1.00 0.00 H ATOM 345 HD11 LEU A 25 20.992 6.520 11.887 1.00 0.00 H ATOM 346 HD12 LEU A 25 19.786 5.915 10.726 1.00 0.00 H ATOM 347 HD13 LEU A 25 19.350 7.208 11.871 1.00 0.00 H ATOM 348 H LEU A 25 21.732 1.839 12.435 1.00 0.00 H ATOM 349 N ASN A 26 21.378 3.081 15.527 1.00 50.63 N ATOM 350 CA ASN A 26 21.326 3.188 16.985 1.00 54.36 C ATOM 351 C ASN A 26 22.671 3.597 17.593 1.00 55.91 C ATOM 352 O ASN A 26 22.717 4.411 18.519 1.00 57.41 O ATOM 353 CB ASN A 26 20.832 1.874 17.600 1.00 55.90 C ATOM 354 CG ASN A 26 20.737 1.934 19.114 1.00 59.88 C ATOM 355 OD1 ASN A 26 19.787 2.489 19.668 1.00 62.26 O ATOM 356 ND2 ASN A 26 21.725 1.358 19.791 1.00 60.99 N ATOM 357 HA ASN A 26 20.618 3.982 17.223 1.00 0.00 H ATOM 358 HB2 ASN A 26 19.844 1.650 17.197 1.00 0.00 H ATOM 359 HB3 ASN A 26 21.524 1.078 17.325 1.00 0.00 H ATOM 360 HD22 ASN A 26 22.508 0.901 19.281 1.00 0.00 H ATOM 361 HD21 ASN A 26 21.716 1.364 20.831 1.00 0.00 H ATOM 362 H ASN A 26 21.225 2.150 15.089 1.00 0.00 H ATOM 363 N GLY A 27 23.754 3.030 17.062 1.00 55.81 N ATOM 364 CA GLY A 27 25.102 3.345 17.506 1.00 57.32 C ATOM 365 C GLY A 27 25.574 4.721 17.071 1.00 57.76 C ATOM 366 O GLY A 27 26.399 5.341 17.746 1.00 60.09 O ATOM 367 HA3 GLY A 27 25.784 2.600 17.096 1.00 0.00 H ATOM 368 HA2 GLY A 27 25.127 3.299 18.595 1.00 0.00 H ATOM 369 H GLY A 27 23.630 2.334 16.299 1.00 0.00 H ATOM 370 N ILE A 28 25.049 5.191 15.940 1.00 56.28 N ATOM 371 CA ILE A 28 25.364 6.516 15.405 1.00 56.75 C ATOM 372 C ILE A 28 24.793 7.629 16.298 1.00 59.83 C ATOM 373 O ILE A 28 25.436 8.663 16.502 1.00 61.12 O ATOM 374 CB ILE A 28 24.863 6.633 13.934 1.00 54.22 C ATOM 375 CG1 ILE A 28 25.803 5.882 12.987 1.00 52.16 C ATOM 376 CG2 ILE A 28 24.741 8.086 13.486 1.00 54.51 C ATOM 377 CD1 ILE A 28 25.697 6.090 11.540 1.00 78.93 C ATOM 378 HA ILE A 28 26.447 6.643 15.402 1.00 0.00 H ATOM 379 HB ILE A 28 23.870 6.184 13.897 1.00 0.00 H ATOM 380 HG12 ILE A 28 26.820 6.152 13.271 1.00 0.00 H ATOM 381 HG13 ILE A 28 25.648 4.818 13.166 1.00 0.00 H ATOM 382 HD11 ILE A 28 24.699 5.806 11.206 1.00 0.00 H ATOM 383 HD12 ILE A 28 25.873 7.141 11.311 1.00 0.00 H ATOM 384 HD13 ILE A 28 26.441 5.477 11.031 1.00 0.00 H ATOM 385 HG21 ILE A 28 24.031 8.605 14.130 1.00 0.00 H ATOM 386 HG22 ILE A 28 25.716 8.569 13.554 1.00 0.00 H ATOM 387 HG23 ILE A 28 24.389 8.119 12.455 1.00 0.00 H ATOM 388 H ILE A 28 24.385 4.588 15.413 1.00 0.00 H ATOM 389 N ASN A 29 23.598 7.398 16.839 1.00 61.69 N ATOM 390 CA ASN A 29 22.942 8.357 17.729 1.00 65.42 C ATOM 391 C ASN A 29 23.563 8.423 19.127 1.00 68.16 C ATOM 392 O ASN A 29 23.340 9.383 19.866 1.00 70.35 O ATOM 393 CB ASN A 29 21.443 8.054 17.837 1.00 66.74 C ATOM 394 CG ASN A 29 20.723 8.155 16.501 1.00 65.49 C ATOM 395 OD1 ASN A 29 20.974 9.065 15.707 1.00 65.41 O ATOM 396 ND2 ASN A 29 19.815 7.219 16.251 1.00 64.85 N ATOM 397 HA ASN A 29 23.092 9.337 17.275 1.00 0.00 H ATOM 398 HB2 ASN A 29 21.319 7.043 18.224 1.00 0.00 H ATOM 399 HB3 ASN A 29 20.993 8.765 18.530 1.00 0.00 H ATOM 400 HD22 ASN A 29 19.635 6.469 16.949 1.00 0.00 H ATOM 401 HD21 ASN A 29 19.284 7.235 15.357 1.00 0.00 H ATOM 402 H ASN A 29 23.114 6.504 16.621 1.00 0.00 H ATOM 403 N ASN A 30 24.342 7.402 19.477 1.00 68.41 N ATOM 404 CA ASN A 30 24.981 7.314 20.790 1.00 71.61 C ATOM 405 C ASN A 30 26.282 8.113 20.909 1.00 73.00 C ATOM 406 O ASN A 30 26.860 8.209 21.996 1.00 76.01 O ATOM 407 CB ASN A 30 25.225 5.848 21.163 1.00 71.68 C ATOM 408 CG ASN A 30 25.025 5.582 22.642 1.00 74.81 C ATOM 409 OD1 ASN A 30 26.609 4.809 22.909 1.00106.95 O ATOM 410 ND2 ASN A 30 25.336 6.571 23.480 1.00108.93 N ATOM 411 HA ASN A 30 24.284 7.771 21.492 1.00 0.00 H ATOM 412 HB2 ASN A 30 24.532 5.224 20.599 1.00 0.00 H ATOM 413 HB3 ASN A 30 26.249 5.585 20.896 1.00 0.00 H ATOM 414 HD22 ASN A 30 24.653 7.334 23.660 1.00 0.00 H ATOM 415 HD21 ASN A 30 26.262 6.580 23.953 1.00 0.00 H ATOM 416 H ASN A 30 24.503 6.637 18.791 1.00 0.00 H ATOM 417 N TYR A 31 26.734 8.686 19.795 1.00 71.03 N ATOM 418 CA TYR A 31 27.974 9.462 19.767 1.00 71.87 C ATOM 419 C TYR A 31 27.792 10.866 20.344 1.00 74.11 C ATOM 420 O TYR A 31 26.699 11.431 20.308 1.00 74.09 O ATOM 421 CB TYR A 31 28.532 9.542 18.341 1.00 69.31 C ATOM 422 CG TYR A 31 28.992 8.216 17.767 1.00 67.26 C ATOM 423 CD1 TYR A 31 29.753 7.324 18.528 1.00 68.62 C ATOM 424 CD2 TYR A 31 28.674 7.857 16.459 1.00 64.56 C ATOM 425 CE1 TYR A 31 30.177 6.108 18.000 1.00 67.27 C ATOM 426 CE2 TYR A 31 29.093 6.642 15.921 1.00 63.02 C ATOM 427 CZ TYR A 31 29.844 5.775 16.697 1.00 64.46 C ATOM 428 OH TYR A 31 30.261 4.574 16.172 1.00 63.51 O ATOM 429 HA TYR A 31 28.690 8.939 20.401 1.00 0.00 H ATOM 430 HB3 TYR A 31 29.383 10.224 18.346 1.00 0.00 H ATOM 431 HB2 TYR A 31 27.752 9.941 17.692 1.00 0.00 H ATOM 432 HD2 TYR A 31 28.086 8.539 15.845 1.00 0.00 H ATOM 433 HE2 TYR A 31 28.832 6.376 14.897 1.00 0.00 H ATOM 434 HE1 TYR A 31 30.767 5.422 18.608 1.00 0.00 H ATOM 435 HD1 TYR A 31 30.019 7.585 19.552 1.00 0.00 H ATOM 436 HH TYR A 31 30.782 4.080 16.854 1.00 0.00 H ATOM 437 H TYR A 31 26.188 8.578 18.917 1.00 0.00 H TER 438 TYR A 31 ATOM 439 N PRO A 34 29.407 16.344 18.738 1.00 77.82 N ATOM 440 CA PRO A 34 30.747 16.617 18.207 1.00 78.10 C ATOM 441 C PRO A 34 31.178 15.576 17.172 1.00 74.80 C ATOM 442 O PRO A 34 31.507 15.946 16.043 1.00 73.64 O ATOM 443 CB PRO A 34 31.638 16.543 19.453 1.00 81.13 C ATOM 444 CG PRO A 34 30.724 16.853 20.584 1.00 83.33 C ATOM 445 CD PRO A 34 29.398 16.263 20.209 1.00 80.74 C ATOM 446 HA PRO A 34 30.800 17.573 17.687 1.00 0.00 H ATOM 447 HD3 PRO A 34 29.319 15.229 20.545 1.00 0.00 H ATOM 448 HD2 PRO A 34 28.577 16.844 20.629 1.00 0.00 H ATOM 449 HG3 PRO A 34 30.636 17.931 20.717 1.00 0.00 H ATOM 450 HG2 PRO A 34 31.093 16.403 21.506 1.00 0.00 H ATOM 451 HB2 PRO A 34 32.064 15.546 19.564 1.00 0.00 H ATOM 452 HB3 PRO A 34 32.443 17.276 19.396 1.00 0.00 H ATOM 453 N LYS A 35 31.170 14.301 17.558 1.00 73.32 N ATOM 454 CA LYS A 35 31.523 13.204 16.659 1.00 70.55 C ATOM 455 C LYS A 35 30.420 12.955 15.632 1.00 67.82 C ATOM 456 O LYS A 35 30.700 12.652 14.469 1.00 65.76 O ATOM 457 CB LYS A 35 31.797 11.926 17.457 1.00 70.58 C ATOM 458 CG LYS A 35 32.761 10.962 16.781 1.00 69.23 C ATOM 459 CD LYS A 35 32.444 9.517 17.134 1.00 67.74 C ATOM 460 CE LYS A 35 33.304 8.554 16.329 1.00 66.36 C ATOM 461 NZ LYS A 35 33.395 7.212 16.968 1.00 66.76 N ATOM 462 HA LYS A 35 32.429 13.489 16.124 1.00 0.00 H ATOM 463 HB2 LYS A 35 32.217 12.209 18.422 1.00 0.00 H ATOM 464 HB3 LYS A 35 30.850 11.410 17.612 1.00 0.00 H ATOM 465 HG2 LYS A 35 32.688 11.087 15.701 1.00 0.00 H ATOM 466 HG3 LYS A 35 33.776 11.191 17.104 1.00 0.00 H ATOM 467 HD2 LYS A 35 32.633 9.360 18.196 1.00 0.00 H ATOM 468 HD3 LYS A 35 31.393 9.320 16.920 1.00 0.00 H ATOM 469 HE2 LYS A 35 34.308 8.970 16.240 1.00 0.00 H ATOM 470 HE3 LYS A 35 32.870 8.441 15.336 1.00 0.00 H ATOM 471 HZ1 LYS A 35 33.816 7.308 17.914 1.00 0.00 H ATOM 472 HZ2 LYS A 35 32.442 6.803 17.051 1.00 0.00 H ATOM 473 HZ3 LYS A 35 33.991 6.591 16.384 1.00 0.00 H ATOM 474 H LYS A 35 30.902 14.077 18.538 1.00 0.00 H ATOM 475 N LEU A 36 29.172 13.088 16.077 1.00 68.19 N ATOM 476 CA LEU A 36 27.997 12.913 15.226 1.00 66.50 C ATOM 477 C LEU A 36 27.925 13.978 14.131 1.00 66.34 C ATOM 478 O LEU A 36 27.480 13.699 13.019 1.00 64.48 O ATOM 479 CB LEU A 36 26.720 12.920 16.081 1.00 67.62 C ATOM 480 CG LEU A 36 25.321 12.831 15.456 1.00 66.06 C ATOM 481 CD1 LEU A 36 25.179 11.642 14.517 1.00 63.15 C ATOM 482 CD2 LEU A 36 24.271 12.766 16.552 1.00 67.99 C ATOM 483 HA LEU A 36 28.084 11.947 14.729 1.00 0.00 H ATOM 484 HB2 LEU A 36 26.804 12.073 16.762 1.00 0.00 H ATOM 485 HB3 LEU A 36 26.740 13.848 16.652 1.00 0.00 H ATOM 486 HG LEU A 36 25.172 13.729 14.856 1.00 0.00 H ATOM 487 HD21 LEU A 36 24.447 11.886 17.170 1.00 0.00 H ATOM 488 HD22 LEU A 36 24.335 13.663 17.168 1.00 0.00 H ATOM 489 HD23 LEU A 36 23.281 12.703 16.101 1.00 0.00 H ATOM 490 HD11 LEU A 36 25.904 11.731 13.708 1.00 0.00 H ATOM 491 HD12 LEU A 36 25.360 10.720 15.070 1.00 0.00 H ATOM 492 HD13 LEU A 36 24.171 11.626 14.103 1.00 0.00 H ATOM 493 H LEU A 36 29.027 13.328 17.078 1.00 0.00 H ATOM 494 N THR A 37 28.372 15.190 14.455 1.00 68.93 N ATOM 495 CA THR A 37 28.420 16.296 13.499 1.00 69.28 C ATOM 496 C THR A 37 29.450 16.040 12.396 1.00 67.12 C ATOM 497 O THR A 37 29.241 16.416 11.240 1.00 66.20 O ATOM 498 CB THR A 37 28.723 17.627 14.228 1.00 72.76 C ATOM 499 OG1 THR A 37 27.868 17.754 15.371 1.00 74.25 O ATOM 500 CG2 THR A 37 28.327 18.819 13.368 1.00 73.88 C ATOM 501 HA THR A 37 27.441 16.370 13.026 1.00 0.00 H ATOM 502 HB THR A 37 29.786 17.615 14.469 1.00 0.00 H ATOM 503 HG1 THR A 37 28.064 18.606 15.835 1.00 0.00 H ATOM 504 HG23 THR A 37 28.925 18.822 12.456 1.00 0.00 H ATOM 505 HG21 THR A 37 27.270 18.745 13.111 1.00 0.00 H ATOM 506 HG22 THR A 37 28.504 19.740 13.923 1.00 0.00 H ATOM 507 H THR A 37 28.700 15.357 15.428 1.00 0.00 H ATOM 508 N ARG A 38 30.555 15.393 12.764 1.00 66.19 N ATOM 509 CA ARG A 38 31.622 15.062 11.824 1.00 65.05 C ATOM 510 C ARG A 38 31.233 13.931 10.876 1.00 61.90 C ATOM 511 O ARG A 38 31.703 13.883 9.739 1.00 61.35 O ATOM 512 CB ARG A 38 32.900 14.695 12.577 1.00 66.75 C ATOM 513 CG ARG A 38 33.916 15.818 12.642 1.00 70.23 C ATOM 514 CD ARG A 38 35.328 15.392 12.296 1.00 71.32 C ATOM 515 NE ARG A 38 36.245 15.599 13.415 1.00 74.67 N ATOM 516 CZ ARG A 38 37.491 16.044 13.296 1.00 77.50 C ATOM 517 NH1 ARG A 38 37.993 16.335 12.101 1.00 77.38 N ATOM 518 NH2 ARG A 38 38.243 16.197 14.378 1.00 80.79 N ATOM 519 HA ARG A 38 31.798 15.950 11.217 1.00 0.00 H ATOM 520 HB2 ARG A 38 32.631 14.415 13.596 1.00 0.00 H ATOM 521 HB3 ARG A 38 33.361 13.843 12.077 1.00 0.00 H ATOM 522 HG2 ARG A 38 33.612 16.597 11.943 1.00 0.00 H ATOM 523 HG3 ARG A 38 33.918 16.221 13.655 1.00 0.00 H ATOM 524 HD2 ARG A 38 35.674 15.975 11.443 1.00 0.00 H ATOM 525 HD3 ARG A 38 35.324 14.334 12.034 1.00 0.00 H ATOM 526 HE ARG A 38 35.898 15.383 14.371 1.00 0.00 H ATOM 527 HH12 ARG A 38 38.970 16.683 12.018 1.00 0.00 H ATOM 528 HH11 ARG A 38 37.409 16.215 11.249 1.00 0.00 H ATOM 529 HH22 ARG A 38 39.219 16.545 14.288 1.00 0.00 H ATOM 530 HH21 ARG A 38 37.857 15.969 15.316 1.00 0.00 H ATOM 531 H ARG A 38 30.662 15.113 13.760 1.00 0.00 H ATOM 532 N MET A 39 30.378 13.028 11.351 1.00 59.94 N ATOM 533 CA MET A 39 29.922 11.886 10.561 1.00 56.78 C ATOM 534 C MET A 39 28.931 12.286 9.466 1.00 55.00 C ATOM 535 O MET A 39 28.726 11.540 8.504 1.00 53.18 O ATOM 536 CB MET A 39 29.304 10.820 11.471 1.00 57.05 C ATOM 537 CG MET A 39 29.575 9.390 11.023 1.00 56.15 C ATOM 538 SD MET A 39 28.626 8.164 11.944 1.00 56.15 S ATOM 539 CE MET A 39 29.368 6.642 11.347 1.00 55.01 C ATOM 540 HA MET A 39 30.800 11.474 10.063 1.00 0.00 H ATOM 541 HB2 MET A 39 29.710 10.948 12.474 1.00 0.00 H ATOM 542 HB3 MET A 39 28.225 10.973 11.495 1.00 0.00 H ATOM 543 HG2 MET A 39 30.636 9.180 11.158 1.00 0.00 H ATOM 544 HG3 MET A 39 29.320 9.304 9.967 1.00 0.00 H ATOM 545 HE1 MET A 39 29.236 6.574 10.267 1.00 0.00 H ATOM 546 HE2 MET A 39 30.432 6.640 11.586 1.00 0.00 H ATOM 547 HE3 MET A 39 28.885 5.791 11.827 1.00 0.00 H ATOM 548 H MET A 39 30.021 13.139 12.321 1.00 0.00 H ATOM 549 N LEU A 40 28.327 13.463 9.614 1.00 55.88 N ATOM 550 CA LEU A 40 27.337 13.958 8.657 1.00 55.28 C ATOM 551 C LEU A 40 27.966 14.558 7.396 1.00 55.08 C ATOM 552 O LEU A 40 27.270 14.799 6.408 1.00 54.94 O ATOM 553 CB LEU A 40 26.391 14.971 9.318 1.00 57.12 C ATOM 554 CG LEU A 40 25.588 14.531 10.547 1.00 57.29 C ATOM 555 CD1 LEU A 40 25.224 15.736 11.399 1.00 60.38 C ATOM 556 CD2 LEU A 40 24.338 13.748 10.171 1.00 55.86 C ATOM 557 HA LEU A 40 26.762 13.088 8.338 1.00 0.00 H ATOM 558 HB2 LEU A 40 26.995 15.827 9.618 1.00 0.00 H ATOM 559 HB3 LEU A 40 25.673 15.283 8.560 1.00 0.00 H ATOM 560 HG LEU A 40 26.224 13.861 11.126 1.00 0.00 H ATOM 561 HD21 LEU A 40 23.693 14.371 9.551 1.00 0.00 H ATOM 562 HD22 LEU A 40 24.624 12.854 9.616 1.00 0.00 H ATOM 563 HD23 LEU A 40 23.805 13.460 11.077 1.00 0.00 H ATOM 564 HD11 LEU A 40 26.135 16.235 11.729 1.00 0.00 H ATOM 565 HD12 LEU A 40 24.623 16.428 10.809 1.00 0.00 H ATOM 566 HD13 LEU A 40 24.654 15.406 12.268 1.00 0.00 H ATOM 567 H LEU A 40 28.567 14.051 10.438 1.00 0.00 H ATOM 568 N THR A 41 29.278 14.798 7.432 1.00 55.67 N ATOM 569 CA THR A 41 30.003 15.334 6.275 1.00 56.32 C ATOM 570 C THR A 41 30.139 14.290 5.167 1.00 53.93 C ATOM 571 O THR A 41 30.261 14.637 3.989 1.00 54.67 O ATOM 572 CB THR A 41 31.398 15.868 6.677 1.00 58.66 C ATOM 573 OG1 THR A 41 32.138 14.839 7.345 1.00 58.19 O ATOM 574 CG2 THR A 41 31.280 16.974 7.725 1.00 60.92 C ATOM 575 HA THR A 41 29.415 16.167 5.891 1.00 0.00 H ATOM 576 HB THR A 41 31.873 16.217 5.760 1.00 0.00 H ATOM 577 HG1 THR A 41 31.648 14.557 8.158 1.00 0.00 H ATOM 578 HG23 THR A 41 30.725 17.813 7.305 1.00 0.00 H ATOM 579 HG21 THR A 41 30.755 16.590 8.599 1.00 0.00 H ATOM 580 HG22 THR A 41 32.277 17.306 8.015 1.00 0.00 H ATOM 581 H THR A 41 29.803 14.599 8.307 1.00 0.00 H ATOM 582 N PHE A 42 30.125 13.017 5.562 1.00 50.77 N ATOM 583 CA PHE A 42 30.121 11.897 4.628 1.00 47.54 C ATOM 584 C PHE A 42 28.793 11.848 3.879 1.00 46.89 C ATOM 585 O PHE A 42 27.725 11.802 4.496 1.00 47.41 O ATOM 586 CB PHE A 42 30.348 10.583 5.377 1.00 45.68 C ATOM 587 CG PHE A 42 31.006 9.515 4.551 1.00 44.16 C ATOM 588 CD1 PHE A 42 30.275 8.785 3.617 1.00 42.25 C ATOM 589 CD2 PHE A 42 32.356 9.229 4.715 1.00 44.91 C ATOM 590 CE1 PHE A 42 30.882 7.795 2.853 1.00 41.50 C ATOM 591 CE2 PHE A 42 32.973 8.238 3.957 1.00 44.21 C ATOM 592 CZ PHE A 42 32.235 7.520 3.024 1.00 42.75 C ATOM 593 HA PHE A 42 30.929 12.036 3.910 1.00 0.00 H ATOM 594 HB2 PHE A 42 30.980 10.786 6.242 1.00 0.00 H ATOM 595 HB3 PHE A 42 29.381 10.209 5.714 1.00 0.00 H ATOM 596 HD2 PHE A 42 32.939 9.788 5.447 1.00 0.00 H ATOM 597 HE2 PHE A 42 34.033 8.026 4.095 1.00 0.00 H ATOM 598 HZ PHE A 42 32.715 6.744 2.428 1.00 0.00 H ATOM 599 HE1 PHE A 42 30.299 7.235 2.121 1.00 0.00 H ATOM 600 HD1 PHE A 42 29.213 8.993 3.483 1.00 0.00 H ATOM 601 H PHE A 42 30.117 12.813 6.582 1.00 0.00 H ATOM 602 N LYS A 43 28.866 11.862 2.550 1.00 46.46 N ATOM 603 CA LYS A 43 27.668 11.927 1.713 1.00 45.81 C ATOM 604 C LYS A 43 27.393 10.623 0.966 1.00 44.58 C ATOM 605 O LYS A 43 28.318 9.948 0.507 1.00 44.26 O ATOM 606 CB LYS A 43 27.755 13.099 0.727 1.00 46.43 C ATOM 607 CG LYS A 43 28.079 14.447 1.366 1.00 46.90 C ATOM 608 CD LYS A 43 26.838 15.120 1.944 1.00 46.20 C ATOM 609 CE LYS A 43 27.172 15.923 3.195 1.00 46.21 C ATOM 610 NZ LYS A 43 27.991 17.132 2.888 1.00 47.81 N ATOM 611 HA LYS A 43 26.828 12.089 2.389 1.00 0.00 H ATOM 612 HB2 LYS A 43 28.533 12.873 -0.002 1.00 0.00 H ATOM 613 HB3 LYS A 43 26.795 13.186 0.217 1.00 0.00 H ATOM 614 HG2 LYS A 43 28.801 14.292 2.168 1.00 0.00 H ATOM 615 HG3 LYS A 43 28.513 15.100 0.609 1.00 0.00 H ATOM 616 HD2 LYS A 43 26.416 15.790 1.195 1.00 0.00 H ATOM 617 HD3 LYS A 43 26.105 14.354 2.199 1.00 0.00 H ATOM 618 HE2 LYS A 43 27.729 15.287 3.882 1.00 0.00 H ATOM 619 HE3 LYS A 43 26.242 16.239 3.668 1.00 0.00 H ATOM 620 HZ1 LYS A 43 28.885 16.840 2.443 1.00 0.00 H ATOM 621 HZ2 LYS A 43 27.464 17.750 2.238 1.00 0.00 H ATOM 622 HZ3 LYS A 43 28.193 17.646 3.770 1.00 0.00 H ATOM 623 H LYS A 43 29.800 11.826 2.094 1.00 0.00 H ATOM 624 N PHE A 44 26.110 10.288 0.852 1.00 44.41 N ATOM 625 CA PHE A 44 25.665 9.073 0.176 1.00 43.13 C ATOM 626 C PHE A 44 24.717 9.407 -0.971 1.00 44.68 C ATOM 627 O PHE A 44 23.963 10.380 -0.902 1.00 45.31 O ATOM 628 CB PHE A 44 24.948 8.148 1.162 1.00 41.01 C ATOM 629 CG PHE A 44 25.855 7.507 2.175 1.00 39.63 C ATOM 630 CD1 PHE A 44 26.425 6.263 1.927 1.00 38.62 C ATOM 631 CD2 PHE A 44 26.124 8.136 3.387 1.00 39.78 C ATOM 632 CE1 PHE A 44 27.258 5.660 2.863 1.00 38.30 C ATOM 633 CE2 PHE A 44 26.955 7.542 4.330 1.00 39.57 C ATOM 634 CZ PHE A 44 27.523 6.301 4.068 1.00 39.00 C ATOM 635 HA PHE A 44 26.547 8.571 -0.223 1.00 0.00 H ATOM 636 HB2 PHE A 44 24.198 8.732 1.695 1.00 0.00 H ATOM 637 HB3 PHE A 44 24.456 7.358 0.595 1.00 0.00 H ATOM 638 HD2 PHE A 44 25.677 9.107 3.600 1.00 0.00 H ATOM 639 HE2 PHE A 44 27.161 8.049 5.273 1.00 0.00 H ATOM 640 HZ PHE A 44 28.174 5.831 4.805 1.00 0.00 H ATOM 641 HE1 PHE A 44 27.702 4.687 2.653 1.00 0.00 H ATOM 642 HD1 PHE A 44 26.216 5.754 0.986 1.00 0.00 H ATOM 643 H PHE A 44 25.393 10.920 1.263 1.00 0.00 H ATOM 644 N TYR A 45 24.760 8.593 -2.022 1.00 45.51 N ATOM 645 CA TYR A 45 23.807 8.705 -3.121 1.00 47.41 C ATOM 646 C TYR A 45 22.518 7.974 -2.756 1.00 47.53 C ATOM 647 O TYR A 45 22.553 6.880 -2.186 1.00 46.38 O ATOM 648 CB TYR A 45 24.396 8.143 -4.418 1.00 48.00 C ATOM 649 CG TYR A 45 25.359 9.076 -5.123 1.00 50.58 C ATOM 650 CD1 TYR A 45 24.931 10.302 -5.637 1.00 52.61 C ATOM 651 CD2 TYR A 45 26.701 8.729 -5.282 1.00 50.34 C ATOM 652 CE1 TYR A 45 25.815 11.159 -6.286 1.00 54.55 C ATOM 653 CE2 TYR A 45 27.593 9.577 -5.930 1.00 52.06 C ATOM 654 CZ TYR A 45 27.145 10.790 -6.429 1.00 54.39 C ATOM 655 OH TYR A 45 28.024 11.633 -7.071 1.00 56.28 O ATOM 656 HA TYR A 45 23.586 9.759 -3.287 1.00 0.00 H ATOM 657 HB3 TYR A 45 23.574 7.923 -5.099 1.00 0.00 H ATOM 658 HB2 TYR A 45 24.926 7.221 -4.181 1.00 0.00 H ATOM 659 HD2 TYR A 45 27.057 7.776 -4.891 1.00 0.00 H ATOM 660 HE2 TYR A 45 28.638 9.289 -6.045 1.00 0.00 H ATOM 661 HE1 TYR A 45 25.465 12.113 -6.679 1.00 0.00 H ATOM 662 HD1 TYR A 45 23.886 10.593 -5.528 1.00 0.00 H ATOM 663 HH TYR A 45 27.544 12.449 -7.362 1.00 0.00 H ATOM 664 H TYR A 45 25.493 7.856 -2.061 1.00 0.00 H ATOM 665 N MET A 46 21.387 8.588 -3.088 1.00 49.38 N ATOM 666 CA MET A 46 20.073 8.077 -2.704 1.00 49.27 C ATOM 667 C MET A 46 19.221 7.748 -3.928 1.00 50.76 C ATOM 668 O MET A 46 19.393 8.365 -4.978 1.00 52.30 O ATOM 669 CB MET A 46 19.350 9.104 -1.830 1.00 50.77 C ATOM 670 CG MET A 46 20.039 9.392 -0.512 1.00 50.30 C ATOM 671 SD MET A 46 19.585 8.213 0.762 1.00 50.10 S ATOM 672 CE MET A 46 18.323 9.138 1.630 1.00 51.32 C ATOM 673 HA MET A 46 20.223 7.156 -2.140 1.00 0.00 H ATOM 674 HB2 MET A 46 19.276 10.037 -2.389 1.00 0.00 H ATOM 675 HB3 MET A 46 18.349 8.729 -1.618 1.00 0.00 H ATOM 676 HG2 MET A 46 19.760 10.392 -0.181 1.00 0.00 H ATOM 677 HG3 MET A 46 21.118 9.349 -0.663 1.00 0.00 H ATOM 678 HE1 MET A 46 18.754 10.061 2.019 1.00 0.00 H ATOM 679 HE2 MET A 46 17.511 9.376 0.943 1.00 0.00 H ATOM 680 HE3 MET A 46 17.938 8.539 2.455 1.00 0.00 H ATOM 681 H MET A 46 21.439 9.466 -3.643 1.00 0.00 H ATOM 682 N PRO A 47 18.303 6.787 -3.799 1.00 51.09 N ATOM 683 CA PRO A 47 17.390 6.444 -4.898 1.00 52.91 C ATOM 684 C PRO A 47 16.315 7.506 -5.090 1.00 55.75 C ATOM 685 O PRO A 47 15.968 8.202 -4.133 1.00 56.48 O ATOM 686 CB PRO A 47 16.740 5.135 -4.430 1.00 51.42 C ATOM 687 CG PRO A 47 17.487 4.722 -3.214 1.00 49.27 C ATOM 688 CD PRO A 47 18.060 5.955 -2.608 1.00 49.23 C ATOM 689 HA PRO A 47 17.912 6.364 -5.851 1.00 0.00 H ATOM 690 HD3 PRO A 47 17.352 6.430 -1.928 1.00 0.00 H ATOM 691 HD2 PRO A 47 18.987 5.743 -2.075 1.00 0.00 H ATOM 692 HG3 PRO A 47 18.287 4.032 -3.483 1.00 0.00 H ATOM 693 HG2 PRO A 47 16.813 4.237 -2.508 1.00 0.00 H ATOM 694 HB2 PRO A 47 15.689 5.297 -4.193 1.00 0.00 H ATOM 695 HB3 PRO A 47 16.823 4.372 -5.204 1.00 0.00 H ATOM 696 N LYS A 48 15.802 7.624 -6.313 1.00 58.26 N ATOM 697 CA LYS A 48 14.713 8.552 -6.618 1.00 61.66 C ATOM 698 C LYS A 48 13.424 8.115 -5.920 1.00 62.22 C ATOM 699 O LYS A 48 12.750 8.926 -5.281 1.00 63.39 O ATOM 700 CB LYS A 48 14.499 8.661 -8.131 1.00 64.27 C ATOM 701 CG LYS A 48 15.550 9.494 -8.850 1.00 65.23 C ATOM 702 CD LYS A 48 14.980 10.156 -10.092 1.00 69.47 C ATOM 703 CE LYS A 48 16.085 10.708 -10.977 1.00 70.62 C ATOM 704 NZ LYS A 48 15.618 11.856 -11.800 1.00 74.77 N ATOM 705 HA LYS A 48 14.989 9.538 -6.243 1.00 0.00 H ATOM 706 HB2 LYS A 48 14.512 7.656 -8.552 1.00 0.00 H ATOM 707 HB3 LYS A 48 13.524 9.114 -8.307 1.00 0.00 H ATOM 708 HG2 LYS A 48 15.915 10.266 -8.173 1.00 0.00 H ATOM 709 HG3 LYS A 48 16.377 8.847 -9.141 1.00 0.00 H ATOM 710 HD2 LYS A 48 14.407 9.420 -10.656 1.00 0.00 H ATOM 711 HD3 LYS A 48 14.324 10.973 -9.791 1.00 0.00 H ATOM 712 HE2 LYS A 48 16.433 9.917 -11.641 1.00 0.00 H ATOM 713 HE3 LYS A 48 16.910 11.039 -10.346 1.00 0.00 H ATOM 714 HZ1 LYS A 48 14.835 11.547 -12.411 1.00 0.00 H ATOM 715 HZ2 LYS A 48 15.290 12.619 -11.174 1.00 0.00 H ATOM 716 HZ3 LYS A 48 16.403 12.201 -12.388 1.00 0.00 H ATOM 717 H LYS A 48 16.189 7.036 -7.078 1.00 0.00 H ATOM 718 N LYS A 49 13.097 6.830 -6.049 1.00 61.51 N ATOM 719 CA LYS A 49 11.971 6.221 -5.345 1.00 62.29 C ATOM 720 C LYS A 49 12.188 4.719 -5.204 1.00 60.25 C ATOM 721 O LYS A 49 12.323 4.005 -6.200 1.00 60.47 O ATOM 722 CB LYS A 49 10.649 6.499 -6.066 1.00 66.24 C ATOM 723 CG LYS A 49 10.855 4.007 -6.962 1.00 94.86 C ATOM 724 CD LYS A 49 10.057 3.741 -8.243 1.00100.83 C ATOM 725 CE LYS A 49 10.961 3.144 -9.319 1.00103.25 C ATOM 726 NZ LYS A 49 10.164 2.592 -10.446 1.00107.53 N ATOM 727 HA LYS A 49 11.914 6.668 -4.352 1.00 0.00 H ATOM 728 HB2 LYS A 49 9.797 6.687 -5.413 1.00 0.00 H ATOM 729 HB3 LYS A 49 10.694 7.272 -6.833 1.00 0.00 H ATOM 730 HG2 LYS A 49 11.906 3.800 -7.163 1.00 0.00 H ATOM 731 HG3 LYS A 49 10.494 3.332 -6.186 1.00 0.00 H ATOM 732 HD2 LYS A 49 9.249 3.043 -8.025 1.00 0.00 H ATOM 733 HD3 LYS A 49 9.637 4.679 -8.606 1.00 0.00 H ATOM 734 HE2 LYS A 49 11.557 2.344 -8.879 1.00 0.00 H ATOM 735 HE3 LYS A 49 11.623 3.922 -9.699 1.00 0.00 H ATOM 736 HZ1 LYS A 49 9.534 1.845 -10.090 1.00 0.00 H ATOM 737 HZ2 LYS A 49 9.597 3.352 -10.873 1.00 0.00 H ATOM 738 HZ3 LYS A 49 10.806 2.194 -11.161 1.00 0.00 H ATOM 739 H LYS A 49 13.669 6.233 -6.680 1.00 0.00 H ATOM 740 N ALA A 50 12.228 4.251 -3.960 1.00 59.09 N ATOM 741 CA ALA A 50 12.396 2.832 -3.668 1.00 57.82 C ATOM 742 C ALA A 50 11.067 2.214 -3.239 1.00 59.88 C ATOM 743 O ALA A 50 10.571 2.477 -2.140 1.00 60.44 O ATOM 744 CB ALA A 50 13.464 2.632 -2.598 1.00 55.35 C ATOM 745 HA ALA A 50 12.726 2.325 -4.575 1.00 0.00 H ATOM 746 HB1 ALA A 50 14.412 3.037 -2.953 1.00 0.00 H ATOM 747 HB2 ALA A 50 13.165 3.150 -1.687 1.00 0.00 H ATOM 748 HB3 ALA A 50 13.576 1.567 -2.393 1.00 0.00 H ATOM 749 H ALA A 50 12.136 4.919 -3.169 1.00 0.00 H ATOM 750 N THR A 51 10.494 1.401 -4.124 1.00 61.27 N ATOM 751 CA THR A 51 9.194 0.770 -3.886 1.00 62.99 C ATOM 752 C THR A 51 9.256 -0.752 -4.028 1.00 62.53 C ATOM 753 O THR A 51 8.648 -1.477 -3.238 1.00 63.68 O ATOM 754 CB THR A 51 8.113 1.352 -4.832 1.00 65.68 C ATOM 755 OG1 THR A 51 8.667 1.561 -6.137 1.00 65.15 O ATOM 756 CG2 THR A 51 7.706 2.754 -4.392 1.00 66.80 C ATOM 757 HA THR A 51 8.919 0.994 -2.855 1.00 0.00 H ATOM 758 HB THR A 51 7.280 0.649 -4.820 1.00 0.00 H ATOM 759 HG1 THR A 51 7.970 1.933 -6.734 1.00 0.00 H ATOM 760 HG23 THR A 51 7.266 2.707 -3.396 1.00 0.00 H ATOM 761 HG21 THR A 51 8.586 3.397 -4.372 1.00 0.00 H ATOM 762 HG22 THR A 51 6.976 3.156 -5.094 1.00 0.00 H ATOM 763 H THR A 51 10.988 1.207 -5.018 1.00 0.00 H ATOM 764 N GLU A 52 9.987 -1.223 -5.035 1.00 61.05 N ATOM 765 CA GLU A 52 10.131 -2.654 -5.298 1.00 60.06 C ATOM 766 C GLU A 52 11.484 -3.187 -4.817 1.00 57.07 C ATOM 767 O GLU A 52 12.399 -2.412 -4.526 1.00 54.82 O ATOM 768 CB GLU A 52 9.940 -2.945 -6.790 1.00 60.89 C ATOM 769 CG GLU A 52 8.723 -2.472 -7.465 1.00 75.96 C ATOM 770 CD GLU A 52 8.680 -2.719 -8.961 1.00 84.54 C ATOM 771 OE1 GLU A 52 9.682 -3.226 -9.508 1.00 81.59 O ATOM 772 OE2 GLU A 52 7.645 -2.404 -9.585 1.00 87.45 O ATOM 773 HA GLU A 52 9.355 -3.172 -4.734 1.00 0.00 H ATOM 774 HB2 GLU A 52 10.787 -2.500 -7.312 1.00 0.00 H ATOM 775 HB3 GLU A 52 9.970 -4.028 -6.909 1.00 0.00 H ATOM 776 HG2 GLU A 52 7.869 -2.977 -7.014 1.00 0.00 H ATOM 777 HG3 GLU A 52 8.639 -1.398 -7.297 1.00 0.00 H ATOM 778 H GLU A 52 10.474 -0.548 -5.658 1.00 0.00 H ATOM 779 N LEU A 53 11.594 -4.513 -4.738 1.00 56.69 N ATOM 780 CA LEU A 53 12.809 -5.191 -4.283 1.00 53.56 C ATOM 781 C LEU A 53 13.995 -5.003 -5.232 1.00 52.28 C ATOM 782 O LEU A 53 15.149 -5.150 -4.824 1.00 50.39 O ATOM 783 CB LEU A 53 12.542 -6.687 -4.088 1.00 54.04 C ATOM 784 CG LEU A 53 12.119 -7.154 -2.694 1.00 53.75 C ATOM 785 CD1 LEU A 53 10.900 -8.057 -2.781 1.00 56.22 C ATOM 786 CD2 LEU A 53 13.263 -7.868 -1.994 1.00 51.62 C ATOM 787 HA LEU A 53 13.080 -4.730 -3.333 1.00 0.00 H ATOM 788 HB2 LEU A 53 11.750 -6.971 -4.782 1.00 0.00 H ATOM 789 HB3 LEU A 53 13.458 -7.219 -4.347 1.00 0.00 H ATOM 790 HG LEU A 53 11.856 -6.275 -2.106 1.00 0.00 H ATOM 791 HD21 LEU A 53 13.561 -8.737 -2.581 1.00 0.00 H ATOM 792 HD22 LEU A 53 14.109 -7.187 -1.896 1.00 0.00 H ATOM 793 HD23 LEU A 53 12.937 -8.190 -1.005 1.00 0.00 H ATOM 794 HD11 LEU A 53 10.075 -7.509 -3.236 1.00 0.00 H ATOM 795 HD12 LEU A 53 11.138 -8.929 -3.390 1.00 0.00 H ATOM 796 HD13 LEU A 53 10.615 -8.378 -1.779 1.00 0.00 H ATOM 797 H LEU A 53 10.777 -5.094 -5.013 1.00 0.00 H ATOM 798 N LYS A 54 13.704 -4.680 -6.491 1.00 53.53 N ATOM 799 CA LYS A 54 14.733 -4.468 -7.510 1.00 53.42 C ATOM 800 C LYS A 54 15.597 -3.238 -7.226 1.00 52.65 C ATOM 801 O LYS A 54 16.738 -3.152 -7.688 1.00 52.85 O ATOM 802 CB LYS A 54 14.097 -4.355 -8.898 1.00 55.36 C ATOM 803 CG LYS A 54 13.646 -5.883 -9.167 1.00 65.76 C ATOM 804 CD LYS A 54 13.319 -5.895 -10.643 1.00 70.20 C ATOM 805 CE LYS A 54 12.622 -7.184 -11.045 1.00 76.86 C ATOM 806 NZ LYS A 54 12.295 -7.202 -12.497 1.00 79.70 N ATOM 807 HA LYS A 54 15.390 -5.337 -7.481 1.00 0.00 H ATOM 808 HB2 LYS A 54 13.240 -3.681 -8.891 1.00 0.00 H ATOM 809 HB3 LYS A 54 14.818 -4.015 -9.641 1.00 0.00 H ATOM 810 HG2 LYS A 54 14.457 -6.575 -8.941 1.00 0.00 H ATOM 811 HG3 LYS A 54 12.771 -6.143 -8.571 1.00 0.00 H ATOM 812 HD2 LYS A 54 12.665 -5.052 -10.869 1.00 0.00 H ATOM 813 HD3 LYS A 54 14.243 -5.799 -11.212 1.00 0.00 H ATOM 814 HE2 LYS A 54 11.699 -7.280 -10.473 1.00 0.00 H ATOM 815 HE3 LYS A 54 13.277 -8.026 -10.819 1.00 0.00 H ATOM 816 HZ1 LYS A 54 11.665 -6.405 -12.719 1.00 0.00 H ATOM 817 HZ2 LYS A 54 13.172 -7.117 -13.050 1.00 0.00 H ATOM 818 HZ3 LYS A 54 11.821 -8.097 -12.733 1.00 0.00 H ATOM 819 H LYS A 54 12.705 -4.574 -6.761 1.00 0.00 H ATOM 820 N HIS A 55 15.049 -2.300 -6.455 1.00 52.23 N ATOM 821 CA HIS A 55 15.732 -1.051 -6.119 1.00 50.08 C ATOM 822 C HIS A 55 16.830 -1.213 -5.062 1.00 46.61 C ATOM 823 O HIS A 55 17.496 -0.240 -4.703 1.00 46.48 O ATOM 824 CB HIS A 55 14.718 0.006 -5.668 1.00 51.95 C ATOM 825 CG HIS A 55 13.649 0.290 -6.677 1.00 55.69 C ATOM 826 ND1 HIS A 55 12.306 0.274 -6.362 1.00 57.77 N ATOM 827 CD2 HIS A 55 13.722 0.599 -7.993 1.00 57.66 C ATOM 828 CE1 HIS A 55 11.599 0.560 -7.440 1.00 60.39 C ATOM 829 NE2 HIS A 55 12.434 0.761 -8.444 1.00 60.35 N ATOM 830 HA HIS A 55 16.231 -0.724 -7.032 1.00 0.00 H ATOM 831 HB2 HIS A 55 14.242 -0.344 -4.752 1.00 0.00 H ATOM 832 HB3 HIS A 55 15.255 0.933 -5.466 1.00 0.00 H ATOM 833 HD2 HIS A 55 14.632 0.700 -8.584 1.00 0.00 H ATOM 834 HE1 HIS A 55 10.512 0.620 -7.493 1.00 0.00 H ATOM 835 H HIS A 55 14.094 -2.463 -6.076 1.00 0.00 H ATOM 836 N LEU A 56 17.022 -2.438 -4.575 1.00 44.61 N ATOM 837 CA LEU A 56 18.074 -2.739 -3.602 1.00 42.19 C ATOM 838 C LEU A 56 19.478 -2.634 -4.207 1.00 41.61 C ATOM 839 O LEU A 56 20.479 -2.707 -3.490 1.00 39.62 O ATOM 840 CB LEU A 56 17.864 -4.126 -2.988 1.00 41.48 C ATOM 841 CG LEU A 56 16.945 -4.218 -1.768 1.00 41.43 C ATOM 842 CD1 LEU A 56 16.377 -5.619 -1.639 1.00 42.20 C ATOM 843 CD2 LEU A 56 17.677 -3.825 -0.495 1.00 40.67 C ATOM 844 HA LEU A 56 18.002 -1.986 -2.817 1.00 0.00 H ATOM 845 HB2 LEU A 56 17.446 -4.768 -3.763 1.00 0.00 H ATOM 846 HB3 LEU A 56 18.842 -4.505 -2.692 1.00 0.00 H ATOM 847 HG LEU A 56 16.124 -3.516 -1.913 1.00 0.00 H ATOM 848 HD21 LEU A 56 18.524 -4.494 -0.343 1.00 0.00 H ATOM 849 HD22 LEU A 56 18.034 -2.799 -0.585 1.00 0.00 H ATOM 850 HD23 LEU A 56 16.996 -3.901 0.353 1.00 0.00 H ATOM 851 HD11 LEU A 56 15.805 -5.862 -2.535 1.00 0.00 H ATOM 852 HD12 LEU A 56 17.194 -6.332 -1.524 1.00 0.00 H ATOM 853 HD13 LEU A 56 15.726 -5.667 -0.766 1.00 0.00 H ATOM 854 H LEU A 56 16.402 -3.208 -4.898 1.00 0.00 H ATOM 855 N GLN A 57 19.535 -2.461 -5.527 1.00 43.59 N ATOM 856 CA GLN A 57 20.787 -2.230 -6.244 1.00 45.01 C ATOM 857 C GLN A 57 21.402 -0.876 -5.885 1.00 44.92 C ATOM 858 O GLN A 57 22.615 -0.688 -6.000 1.00 44.75 O ATOM 859 CB GLN A 57 20.558 -2.317 -7.753 1.00 47.57 C ATOM 860 CG GLN A 57 21.273 -3.477 -8.420 1.00 49.80 C ATOM 861 CD GLN A 57 22.541 -3.045 -9.126 1.00 51.43 C ATOM 862 OE1 GLN A 57 22.506 -2.673 -10.299 1.00 54.02 O ATOM 863 NE2 GLN A 57 23.664 -3.091 -8.416 1.00 50.46 N ATOM 864 HA GLN A 57 21.488 -3.007 -5.940 1.00 0.00 H ATOM 865 HB2 GLN A 57 19.488 -2.425 -7.932 1.00 0.00 H ATOM 866 HB3 GLN A 57 20.909 -1.391 -8.207 1.00 0.00 H ATOM 867 HG2 GLN A 57 21.529 -4.214 -7.659 1.00 0.00 H ATOM 868 HG3 GLN A 57 20.602 -3.929 -9.151 1.00 0.00 H ATOM 869 HE22 GLN A 57 23.641 -3.413 -7.427 1.00 0.00 H ATOM 870 HE21 GLN A 57 24.565 -2.805 -8.849 1.00 0.00 H ATOM 871 H GLN A 57 18.649 -2.492 -6.071 1.00 0.00 H ATOM 872 N CYS A 58 20.554 0.059 -5.457 1.00 45.54 N ATOM 873 CA CYS A 58 20.995 1.370 -4.989 1.00 46.42 C ATOM 874 C CYS A 58 21.696 1.274 -3.637 1.00 44.13 C ATOM 875 O CYS A 58 22.634 2.026 -3.364 1.00 43.67 O ATOM 876 CB CYS A 58 19.812 2.333 -4.895 1.00 50.23 C ATOM 877 SG CYS A 58 19.433 3.191 -6.436 1.00 56.03 S ATOM 878 HA CYS A 58 21.710 1.754 -5.716 1.00 0.00 H ATOM 879 HB2 CYS A 58 20.038 3.080 -4.134 1.00 0.00 H ATOM 880 HB3 CYS A 58 18.932 1.765 -4.594 1.00 0.00 H ATOM 881 H CYS A 58 19.536 -0.154 -5.456 1.00 0.00 H ATOM 882 N LEU A 59 21.229 0.350 -2.797 1.00 42.52 N ATOM 883 CA LEU A 59 21.854 0.090 -1.503 1.00 41.00 C ATOM 884 C LEU A 59 23.161 -0.681 -1.680 1.00 41.05 C ATOM 885 O LEU A 59 24.163 -0.359 -1.041 1.00 41.02 O ATOM 886 CB LEU A 59 20.893 -0.669 -0.575 1.00 40.05 C ATOM 887 CG LEU A 59 21.386 -1.182 0.787 1.00 39.16 C ATOM 888 CD1 LEU A 59 21.931 -0.060 1.670 1.00 39.02 C ATOM 889 CD2 LEU A 59 20.274 -1.929 1.508 1.00 38.87 C ATOM 890 HA LEU A 59 22.085 1.048 -1.038 1.00 0.00 H ATOM 891 HB2 LEU A 59 20.055 -0.002 -0.376 1.00 0.00 H ATOM 892 HB3 LEU A 59 20.540 -1.538 -1.130 1.00 0.00 H ATOM 893 HG LEU A 59 22.211 -1.867 0.591 1.00 0.00 H ATOM 894 HD21 LEU A 59 19.430 -1.258 1.666 1.00 0.00 H ATOM 895 HD22 LEU A 59 19.956 -2.778 0.903 1.00 0.00 H ATOM 896 HD23 LEU A 59 20.642 -2.285 2.470 1.00 0.00 H ATOM 897 HD11 LEU A 59 22.770 0.421 1.167 1.00 0.00 H ATOM 898 HD12 LEU A 59 21.145 0.673 1.850 1.00 0.00 H ATOM 899 HD13 LEU A 59 22.266 -0.477 2.620 1.00 0.00 H ATOM 900 H LEU A 59 20.393 -0.203 -3.072 1.00 0.00 H ATOM 901 N GLU A 60 23.138 -1.685 -2.557 1.00 41.63 N ATOM 902 CA GLU A 60 24.303 -2.524 -2.836 1.00 43.18 C ATOM 903 C GLU A 60 25.503 -1.714 -3.322 1.00 43.01 C ATOM 904 O GLU A 60 26.640 -1.973 -2.916 1.00 43.99 O ATOM 905 CB GLU A 60 23.950 -3.606 -3.862 1.00 45.71 C ATOM 906 CG GLU A 60 24.988 -4.711 -3.993 1.00 47.93 C ATOM 907 CD GLU A 60 24.505 -5.866 -4.847 1.00 51.42 C ATOM 908 OE1 GLU A 60 24.419 -5.698 -6.083 1.00 53.45 O ATOM 909 OE2 GLU A 60 24.212 -6.943 -4.282 1.00 52.23 O ATOM 910 HA GLU A 60 24.588 -2.994 -1.895 1.00 0.00 H ATOM 911 HB2 GLU A 60 23.004 -4.060 -3.567 1.00 0.00 H ATOM 912 HB3 GLU A 60 23.835 -3.129 -4.835 1.00 0.00 H ATOM 913 HG2 GLU A 60 25.887 -4.294 -4.446 1.00 0.00 H ATOM 914 HG3 GLU A 60 25.225 -5.087 -2.998 1.00 0.00 H ATOM 915 H GLU A 60 22.252 -1.880 -3.065 1.00 0.00 H ATOM 916 N GLU A 61 25.237 -0.735 -4.185 1.00 41.98 N ATOM 917 CA GLU A 61 26.275 0.138 -4.732 1.00 41.24 C ATOM 918 C GLU A 61 26.884 1.050 -3.668 1.00 39.84 C ATOM 919 O GLU A 61 28.024 1.498 -3.807 1.00 41.00 O ATOM 920 CB GLU A 61 25.707 0.985 -5.870 1.00 42.01 C ATOM 921 CG GLU A 61 26.199 0.595 -7.254 1.00 43.53 C ATOM 922 CD GLU A 61 25.095 0.623 -8.295 1.00 44.25 C ATOM 923 OE1 GLU A 61 24.541 1.714 -8.554 1.00 44.22 O ATOM 924 OE2 GLU A 61 24.782 -0.448 -8.857 1.00 44.75 O ATOM 925 HA GLU A 61 27.069 -0.506 -5.110 1.00 0.00 H ATOM 926 HB2 GLU A 61 24.621 0.891 -5.856 1.00 0.00 H ATOM 927 HB3 GLU A 61 25.982 2.024 -5.691 1.00 0.00 H ATOM 928 HG2 GLU A 61 26.982 1.291 -7.556 1.00 0.00 H ATOM 929 HG3 GLU A 61 26.610 -0.414 -7.207 1.00 0.00 H ATOM 930 H GLU A 61 24.252 -0.585 -4.482 1.00 0.00 H ATOM 931 N GLU A 62 26.121 1.315 -2.609 1.00 37.33 N ATOM 932 CA GLU A 62 26.547 2.235 -1.558 1.00 35.87 C ATOM 933 C GLU A 62 27.076 1.534 -0.303 1.00 34.58 C ATOM 934 O GLU A 62 27.270 2.171 0.736 1.00 34.25 O ATOM 935 CB GLU A 62 25.410 3.202 -1.201 1.00 35.79 C ATOM 936 CG GLU A 62 25.058 4.195 -2.302 1.00 36.91 C ATOM 937 CD GLU A 62 26.123 5.260 -2.506 1.00 38.08 C ATOM 938 OE1 GLU A 62 26.475 5.947 -1.524 1.00 38.10 O ATOM 939 OE2 GLU A 62 26.606 5.410 -3.650 1.00 38.69 O ATOM 940 HA GLU A 62 27.389 2.795 -1.965 1.00 0.00 H ATOM 941 HB2 GLU A 62 24.521 2.614 -0.975 1.00 0.00 H ATOM 942 HB3 GLU A 62 25.706 3.765 -0.316 1.00 0.00 H ATOM 943 HG2 GLU A 62 24.931 3.648 -3.236 1.00 0.00 H ATOM 944 HG3 GLU A 62 24.121 4.686 -2.040 1.00 0.00 H ATOM 945 H GLU A 62 25.193 0.852 -2.528 1.00 0.00 H ATOM 946 N LEU A 63 27.332 0.232 -0.413 1.00 33.87 N ATOM 947 CA LEU A 63 27.793 -0.567 0.724 1.00 33.66 C ATOM 948 C LEU A 63 29.275 -0.370 1.047 1.00 35.42 C ATOM 949 O LEU A 63 29.668 -0.416 2.216 1.00 36.71 O ATOM 950 CB LEU A 63 27.481 -2.053 0.513 1.00 32.95 C ATOM 951 CG LEU A 63 26.022 -2.483 0.711 1.00 32.05 C ATOM 952 CD1 LEU A 63 25.841 -3.947 0.362 1.00 31.01 C ATOM 953 CD2 LEU A 63 25.535 -2.207 2.130 1.00 31.95 C ATOM 954 HA LEU A 63 27.238 -0.204 1.589 1.00 0.00 H ATOM 955 HB2 LEU A 63 27.766 -2.309 -0.507 1.00 0.00 H ATOM 956 HB3 LEU A 63 28.092 -2.622 1.214 1.00 0.00 H ATOM 957 HG LEU A 63 25.414 -1.884 0.033 1.00 0.00 H ATOM 958 HD21 LEU A 63 26.153 -2.758 2.839 1.00 0.00 H ATOM 959 HD22 LEU A 63 25.608 -1.139 2.336 1.00 0.00 H ATOM 960 HD23 LEU A 63 24.497 -2.527 2.225 1.00 0.00 H ATOM 961 HD11 LEU A 63 26.117 -4.108 -0.680 1.00 0.00 H ATOM 962 HD12 LEU A 63 26.478 -4.554 1.006 1.00 0.00 H ATOM 963 HD13 LEU A 63 24.798 -4.228 0.510 1.00 0.00 H ATOM 964 H LEU A 63 27.200 -0.232 -1.335 1.00 0.00 H ATOM 965 N LYS A 64 30.088 -0.154 0.015 1.00 35.89 N ATOM 966 CA LYS A 64 31.500 0.189 0.198 1.00 36.34 C ATOM 967 C LYS A 64 31.686 1.578 0.838 1.00 36.31 C ATOM 968 O LYS A 64 32.508 1.718 1.745 1.00 37.30 O ATOM 969 CB LYS A 64 32.280 0.069 -1.119 1.00 37.34 C ATOM 970 CG LYS A 64 33.200 -0.612 -1.601 1.00 54.01 C ATOM 971 CD LYS A 64 33.670 -1.252 -0.308 1.00 55.12 C ATOM 972 CE LYS A 64 35.165 -1.015 -0.103 1.00 55.67 C ATOM 973 NZ LYS A 64 35.975 -2.219 -0.444 1.00 58.19 N ATOM 974 HA LYS A 64 31.914 -0.538 0.898 1.00 0.00 H ATOM 975 HB2 LYS A 64 31.478 -0.102 -1.837 1.00 0.00 H ATOM 976 HB3 LYS A 64 32.666 1.081 -1.241 1.00 0.00 H ATOM 977 HG2 LYS A 64 32.840 -1.347 -2.321 1.00 0.00 H ATOM 978 HG3 LYS A 64 33.972 0.002 -2.065 1.00 0.00 H ATOM 979 HD2 LYS A 64 33.120 -0.818 0.527 1.00 0.00 H ATOM 980 HD3 LYS A 64 33.479 -2.324 -0.349 1.00 0.00 H ATOM 981 HE2 LYS A 64 35.340 -0.757 0.941 1.00 0.00 H ATOM 982 HE3 LYS A 64 35.480 -0.187 -0.738 1.00 0.00 H ATOM 983 HZ1 LYS A 64 35.686 -3.013 0.162 1.00 0.00 H ATOM 984 HZ2 LYS A 64 35.820 -2.469 -1.442 1.00 0.00 H ATOM 985 HZ3 LYS A 64 36.983 -2.012 -0.290 1.00 0.00 H ATOM 986 H LYS A 64 29.709 -0.231 -0.950 1.00 0.00 H ATOM 987 N PRO A 65 30.955 2.599 0.371 1.00 36.11 N ATOM 988 CA PRO A 65 30.895 3.888 1.078 1.00 36.67 C ATOM 989 C PRO A 65 30.349 3.784 2.506 1.00 36.25 C ATOM 990 O PRO A 65 30.768 4.563 3.363 1.00 36.79 O ATOM 991 CB PRO A 65 29.941 4.718 0.212 1.00 36.82 C ATOM 992 CG PRO A 65 30.031 4.109 -1.135 1.00 36.70 C ATOM 993 CD PRO A 65 30.187 2.644 -0.888 1.00 35.74 C ATOM 994 HA PRO A 65 31.891 4.315 1.199 1.00 0.00 H ATOM 995 HD3 PRO A 65 29.217 2.160 -0.773 1.00 0.00 H ATOM 996 HD2 PRO A 65 30.736 2.166 -1.699 1.00 0.00 H ATOM 997 HG3 PRO A 65 30.893 4.500 -1.676 1.00 0.00 H ATOM 998 HG2 PRO A 65 29.124 4.307 -1.707 1.00 0.00 H ATOM 999 HB2 PRO A 65 28.922 4.657 0.595 1.00 0.00 H ATOM 1000 HB3 PRO A 65 30.255 5.761 0.184 1.00 0.00 H ATOM 1001 N LEU A 66 29.433 2.848 2.752 1.00 35.69 N ATOM 1002 CA LEU A 66 28.921 2.604 4.100 1.00 36.02 C ATOM 1003 C LEU A 66 30.001 1.997 4.997 1.00 38.12 C ATOM 1004 O LEU A 66 30.103 2.345 6.174 1.00 38.67 O ATOM 1005 CB LEU A 66 27.676 1.708 4.062 1.00 35.05 C ATOM 1006 CG LEU A 66 27.002 1.293 5.380 1.00 35.62 C ATOM 1007 CD1 LEU A 66 26.601 2.497 6.233 1.00 35.94 C ATOM 1008 CD2 LEU A 66 25.795 0.401 5.113 1.00 33.89 C ATOM 1009 HA LEU A 66 28.632 3.565 4.525 1.00 0.00 H ATOM 1010 HB2 LEU A 66 26.924 2.234 3.473 1.00 0.00 H ATOM 1011 HB3 LEU A 66 27.961 0.790 3.549 1.00 0.00 H ATOM 1012 HG LEU A 66 27.740 0.727 5.949 1.00 0.00 H ATOM 1013 HD21 LEU A 66 25.072 0.943 4.503 1.00 0.00 H ATOM 1014 HD22 LEU A 66 26.118 -0.496 4.585 1.00 0.00 H ATOM 1015 HD23 LEU A 66 25.335 0.121 6.061 1.00 0.00 H ATOM 1016 HD11 LEU A 66 27.489 3.080 6.477 1.00 0.00 H ATOM 1017 HD12 LEU A 66 25.899 3.118 5.676 1.00 0.00 H ATOM 1018 HD13 LEU A 66 26.130 2.149 7.152 1.00 0.00 H ATOM 1019 H LEU A 66 29.072 2.275 1.963 1.00 0.00 H ATOM 1020 N GLU A 67 30.799 1.097 4.427 1.00 39.42 N ATOM 1021 CA GLU A 67 31.928 0.483 5.122 1.00 42.28 C ATOM 1022 C GLU A 67 32.995 1.522 5.470 1.00 44.96 C ATOM 1023 O GLU A 67 33.615 1.452 6.534 1.00 46.17 O ATOM 1024 CB GLU A 67 32.532 -0.624 4.256 1.00 44.31 C ATOM 1025 CG GLU A 67 33.463 -1.579 4.986 1.00 47.27 C ATOM 1026 CD GLU A 67 34.034 -2.642 4.067 1.00 49.42 C ATOM 1027 OE1 GLU A 67 34.996 -2.341 3.330 1.00 51.61 O ATOM 1028 OE2 GLU A 67 33.520 -3.780 4.078 1.00 50.08 O ATOM 1029 HA GLU A 67 31.562 0.053 6.054 1.00 0.00 H ATOM 1030 HB2 GLU A 67 31.714 -1.207 3.833 1.00 0.00 H ATOM 1031 HB3 GLU A 67 33.095 -0.153 3.450 1.00 0.00 H ATOM 1032 HG2 GLU A 67 34.286 -1.007 5.415 1.00 0.00 H ATOM 1033 HG3 GLU A 67 32.907 -2.068 5.785 1.00 0.00 H ATOM 1034 H GLU A 67 30.610 0.818 3.443 1.00 0.00 H ATOM 1035 N GLU A 68 33.194 2.481 4.565 1.00 46.08 N ATOM 1036 CA GLU A 68 34.193 3.536 4.725 1.00 47.84 C ATOM 1037 C GLU A 68 33.913 4.433 5.927 1.00 48.80 C ATOM 1038 O GLU A 68 34.793 4.643 6.763 1.00 50.88 O ATOM 1039 CB GLU A 68 34.220 4.443 3.411 1.00 86.38 C ATOM 1040 CG GLU A 68 35.318 4.079 2.423 1.00 91.92 C ATOM 1041 CD GLU A 68 35.145 4.767 1.082 1.00 94.74 C ATOM 1042 OE1 GLU A 68 35.305 6.006 1.019 1.00 96.89 O ATOM 1043 OE2 GLU A 68 34.847 4.070 0.089 1.00 95.38 O ATOM 1044 HA GLU A 68 35.153 3.046 4.888 1.00 0.00 H ATOM 1045 HB2 GLU A 68 33.259 4.343 2.906 1.00 0.00 H ATOM 1046 HB3 GLU A 68 34.363 5.480 3.714 1.00 0.00 H ATOM 1047 HG2 GLU A 68 36.279 4.372 2.845 1.00 0.00 H ATOM 1048 HG3 GLU A 68 35.305 3.000 2.267 1.00 0.00 H ATOM 1049 H GLU A 68 32.610 2.478 3.704 1.00 0.00 H ATOM 1050 N VAL A 69 32.688 4.949 6.009 1.00 48.05 N ATOM 1051 CA VAL A 69 32.282 5.837 7.103 1.00 49.13 C ATOM 1052 C VAL A 69 32.296 5.148 8.476 1.00 49.86 C ATOM 1053 O VAL A 69 32.569 5.788 9.494 1.00 50.75 O ATOM 1054 CB VAL A 69 30.908 6.526 6.820 1.00 48.06 C ATOM 1055 CG1 VAL A 69 29.745 5.544 6.932 1.00 46.71 C ATOM 1056 CG2 VAL A 69 30.697 7.729 7.737 1.00 49.21 C ATOM 1057 HA VAL A 69 33.039 6.620 7.146 1.00 0.00 H ATOM 1058 HB VAL A 69 30.933 6.883 5.790 1.00 0.00 H ATOM 1059 HG11 VAL A 69 29.879 4.740 6.209 1.00 0.00 H ATOM 1060 HG12 VAL A 69 29.718 5.128 7.939 1.00 0.00 H ATOM 1061 HG13 VAL A 69 28.810 6.065 6.728 1.00 0.00 H ATOM 1062 HG21 VAL A 69 30.715 7.400 8.776 1.00 0.00 H ATOM 1063 HG22 VAL A 69 31.493 8.455 7.571 1.00 0.00 H ATOM 1064 HG23 VAL A 69 29.733 8.188 7.517 1.00 0.00 H ATOM 1065 H VAL A 69 31.994 4.714 5.271 1.00 0.00 H ATOM 1066 N LEU A 70 32.016 3.845 8.487 1.00 49.66 N ATOM 1067 CA LEU A 70 32.044 3.048 9.713 1.00 50.46 C ATOM 1068 C LEU A 70 33.472 2.794 10.185 1.00 53.24 C ATOM 1069 O LEU A 70 33.722 2.666 11.384 1.00 54.98 O ATOM 1070 CB LEU A 70 31.310 1.718 9.518 1.00 47.90 C ATOM 1071 CG LEU A 70 29.781 1.730 9.418 1.00 45.68 C ATOM 1072 CD1 LEU A 70 29.280 0.333 9.091 1.00 44.87 C ATOM 1073 CD2 LEU A 70 29.115 2.255 10.687 1.00 46.02 C ATOM 1074 HA LEU A 70 31.530 3.623 10.483 1.00 0.00 H ATOM 1075 HB2 LEU A 70 31.689 1.274 8.597 1.00 0.00 H ATOM 1076 HB3 LEU A 70 31.572 1.080 10.362 1.00 0.00 H ATOM 1077 HG LEU A 70 29.508 2.416 8.616 1.00 0.00 H ATOM 1078 HD21 LEU A 70 29.391 1.621 11.530 1.00 0.00 H ATOM 1079 HD22 LEU A 70 29.447 3.276 10.874 1.00 0.00 H ATOM 1080 HD23 LEU A 70 28.033 2.241 10.560 1.00 0.00 H ATOM 1081 HD11 LEU A 70 29.703 0.010 8.140 1.00 0.00 H ATOM 1082 HD12 LEU A 70 29.586 -0.355 9.879 1.00 0.00 H ATOM 1083 HD13 LEU A 70 28.192 0.346 9.021 1.00 0.00 H ATOM 1084 H LEU A 70 31.769 3.378 7.591 1.00 0.00 H ATOM 1085 N ASN A 71 34.399 2.718 9.232 1.00 54.81 N ATOM 1086 CA ASN A 71 35.822 2.590 9.532 1.00 58.29 C ATOM 1087 C ASN A 71 36.410 3.889 10.081 1.00 60.88 C ATOM 1088 O ASN A 71 37.290 3.861 10.943 1.00 63.75 O ATOM 1089 CB ASN A 71 36.596 2.151 8.286 1.00 58.59 C ATOM 1090 CG ASN A 71 36.780 0.648 8.211 1.00 58.92 C ATOM 1091 OD1 ASN A 71 36.080 -0.037 7.466 1.00 56.96 O ATOM 1092 ND2 ASN A 71 37.729 0.128 8.981 1.00 62.14 N ATOM 1093 HA ASN A 71 35.921 1.828 10.305 1.00 0.00 H ATOM 1094 HB2 ASN A 71 36.050 2.480 7.402 1.00 0.00 H ATOM 1095 HB3 ASN A 71 37.579 2.623 8.301 1.00 0.00 H ATOM 1096 HD22 ASN A 71 38.297 0.746 9.596 1.00 0.00 H ATOM 1097 HD21 ASN A 71 37.904 -0.897 8.969 1.00 0.00 H ATOM 1098 H ASN A 71 34.098 2.751 8.237 1.00 0.00 H ATOM 1099 N LEU A 72 35.910 5.017 9.578 1.00 60.78 N ATOM 1100 CA LEU A 72 36.385 6.342 9.982 1.00 63.20 C ATOM 1101 C LEU A 72 35.880 6.765 11.363 1.00 64.80 C ATOM 1102 O LEU A 72 36.422 7.693 11.966 1.00 68.15 O ATOM 1103 CB LEU A 72 36.002 7.397 8.936 1.00 62.29 C ATOM 1104 CG LEU A 72 36.711 7.365 7.577 1.00 62.40 C ATOM 1105 CD1 LEU A 72 35.899 8.119 6.534 1.00 60.77 C ATOM 1106 CD2 LEU A 72 38.125 7.927 7.663 1.00 65.57 C ATOM 1107 HA LEU A 72 37.471 6.271 10.048 1.00 0.00 H ATOM 1108 HB2 LEU A 72 34.934 7.290 8.746 1.00 0.00 H ATOM 1109 HB3 LEU A 72 36.195 8.375 9.378 1.00 0.00 H ATOM 1110 HG LEU A 72 36.791 6.321 7.273 1.00 0.00 H ATOM 1111 HD21 LEU A 72 38.083 8.962 8.004 1.00 0.00 H ATOM 1112 HD22 LEU A 72 38.708 7.334 8.368 1.00 0.00 H ATOM 1113 HD23 LEU A 72 38.591 7.886 6.679 1.00 0.00 H ATOM 1114 HD11 LEU A 72 34.918 7.654 6.433 1.00 0.00 H ATOM 1115 HD12 LEU A 72 35.780 9.156 6.848 1.00 0.00 H ATOM 1116 HD13 LEU A 72 36.419 8.085 5.576 1.00 0.00 H ATOM 1117 H LEU A 72 35.151 4.954 8.869 1.00 0.00 H ATOM 1118 N ALA A 73 34.847 6.083 11.853 1.00 63.51 N ATOM 1119 CA ALA A 73 34.284 6.359 13.173 1.00 64.80 C ATOM 1120 C ALA A 73 34.864 5.431 14.237 1.00 66.67 C ATOM 1121 O ALA A 73 35.048 4.236 14.004 1.00 66.10 O ATOM 1122 CB ALA A 73 32.768 6.247 13.139 1.00 63.26 C ATOM 1123 HA ALA A 73 34.556 7.380 13.441 1.00 0.00 H ATOM 1124 HB1 ALA A 73 32.368 6.967 12.425 1.00 0.00 H ATOM 1125 HB2 ALA A 73 32.486 5.238 12.837 1.00 0.00 H ATOM 1126 HB3 ALA A 73 32.367 6.456 14.131 1.00 0.00 H ATOM 1127 H ALA A 73 34.426 5.327 11.276 1.00 0.00 H TER 1128 ALA A 73 ATOM 1129 N PHE A 78 32.239 0.975 16.612 1.00 94.48 N ATOM 1130 CA PHE A 78 32.514 0.792 15.192 1.00 92.45 C ATOM 1131 C PHE A 78 33.890 1.334 14.825 1.00 93.71 C ATOM 1132 O PHE A 78 34.759 0.590 14.372 1.00 94.76 O ATOM 1133 CB PHE A 78 31.437 1.476 14.343 1.00 90.07 C ATOM 1134 CG PHE A 78 30.064 0.884 14.510 1.00 89.41 C ATOM 1135 CD1 PHE A 78 29.138 1.474 15.367 1.00 90.21 C ATOM 1136 CD2 PHE A 78 29.693 -0.262 13.810 1.00 87.97 C ATOM 1137 CE1 PHE A 78 27.864 0.931 15.526 1.00 89.64 C ATOM 1138 CE2 PHE A 78 28.422 -0.813 13.962 1.00 87.40 C ATOM 1139 CZ PHE A 78 27.506 -0.215 14.822 1.00 88.29 C ATOM 1140 HA PHE A 78 32.501 -0.278 14.985 1.00 0.00 H ATOM 1141 HB2 PHE A 78 31.394 2.528 14.624 1.00 0.00 H ATOM 1142 HB3 PHE A 78 31.722 1.393 13.294 1.00 0.00 H ATOM 1143 HD2 PHE A 78 30.406 -0.734 13.134 1.00 0.00 H ATOM 1144 HE2 PHE A 78 28.146 -1.710 13.408 1.00 0.00 H ATOM 1145 HZ PHE A 78 26.511 -0.643 14.944 1.00 0.00 H ATOM 1146 HE1 PHE A 78 27.150 1.403 16.200 1.00 0.00 H ATOM 1147 HD1 PHE A 78 29.413 2.372 15.920 1.00 0.00 H ATOM 1148 HN3 PHE A 78 32.270 1.989 16.842 1.00 0.00 H ATOM 1149 HN2 PHE A 78 32.956 0.470 17.171 1.00 0.00 H ATOM 1150 HN1 PHE A 78 31.296 0.597 16.833 1.00 0.00 H TER 1151 PHE A 78 ATOM 1152 N ARG A 81 33.361 -5.474 14.227 1.00 77.67 N ATOM 1153 CA ARG A 81 34.142 -5.082 13.060 1.00 76.98 C ATOM 1154 C ARG A 81 33.235 -4.615 11.920 1.00 73.94 C ATOM 1155 O ARG A 81 32.257 -5.293 11.589 1.00 73.09 O ATOM 1156 CB ARG A 81 35.034 -6.235 12.604 1.00 78.59 C ATOM 1157 HA ARG A 81 34.778 -4.243 13.344 1.00 0.00 H ATOM 1158 HB2 ARG A 81 35.714 -6.508 13.411 1.00 0.00 H ATOM 1159 HB3 ARG A 81 34.413 -7.092 12.344 1.00 0.00 H ATOM 1160 HN3 ARG A 81 32.722 -6.253 13.969 1.00 0.00 H ATOM 1161 HN2 ARG A 81 32.802 -4.661 14.558 1.00 0.00 H ATOM 1162 HN1 ARG A 81 34.003 -5.786 14.983 1.00 0.00 H ATOM 1163 N PRO A 82 33.554 -3.461 11.328 1.00 73.26 N ATOM 1164 CA PRO A 82 32.757 -2.900 10.228 1.00 70.78 C ATOM 1165 C PRO A 82 32.801 -3.751 8.957 1.00 70.27 C ATOM 1166 O PRO A 82 31.784 -3.854 8.269 1.00 68.24 O ATOM 1167 CB PRO A 82 33.416 -1.537 9.975 1.00 70.64 C ATOM 1168 CG PRO A 82 34.212 -1.259 11.203 1.00 73.29 C ATOM 1169 CD PRO A 82 34.695 -2.594 11.671 1.00 75.26 C ATOM 1170 HA PRO A 82 31.700 -2.847 10.489 1.00 0.00 H ATOM 1171 HD3 PRO A 82 35.598 -2.898 11.142 1.00 0.00 H ATOM 1172 HD2 PRO A 82 34.886 -2.594 12.744 1.00 0.00 H ATOM 1173 HG3 PRO A 82 33.589 -0.790 11.964 1.00 0.00 H ATOM 1174 HG2 PRO A 82 35.055 -0.607 10.973 1.00 0.00 H ATOM 1175 HB2 PRO A 82 34.064 -1.581 9.100 1.00 0.00 H ATOM 1176 HB3 PRO A 82 32.659 -0.767 9.826 1.00 0.00 H ATOM 1177 N ARG A 83 33.956 -4.347 8.662 1.00 72.12 N ATOM 1178 CA ARG A 83 34.134 -5.182 7.473 1.00 71.36 C ATOM 1179 C ARG A 83 33.273 -6.447 7.512 1.00 70.80 C ATOM 1180 O ARG A 83 32.779 -6.897 6.476 1.00 70.01 O ATOM 1181 CB ARG A 83 35.608 -5.554 7.294 1.00 73.69 C ATOM 1182 CG ARG A 83 35.840 -6.049 6.376 1.00 97.61 C ATOM 1183 CD ARG A 83 36.183 -7.410 6.873 1.00104.83 C ATOM 1184 NE ARG A 83 37.537 -7.233 7.212 1.00111.43 N ATOM 1185 CZ ARG A 83 38.373 -7.005 6.227 1.00113.51 C ATOM 1186 NH1 ARG A 83 37.951 -6.985 4.982 1.00112.03 N ATOM 1187 NH2 ARG A 83 39.672 -6.800 6.481 1.00116.35 N ATOM 1188 HA ARG A 83 33.804 -4.591 6.619 1.00 0.00 H ATOM 1189 HB2 ARG A 83 36.197 -4.638 7.343 1.00 0.00 H ATOM 1190 HB3 ARG A 83 35.893 -6.212 8.115 1.00 0.00 H ATOM 1191 HG2 ARG A 83 34.982 -6.071 5.704 1.00 0.00 H ATOM 1192 HG3 ARG A 83 36.685 -5.582 5.870 1.00 0.00 H ATOM 1193 HD2 ARG A 83 36.059 -8.164 6.096 1.00 0.00 H ATOM 1194 HD3 ARG A 83 35.584 -7.683 7.742 1.00 0.00 H ATOM 1195 HE ARG A 83 37.861 -7.281 8.199 1.00 0.00 H ATOM 1196 HH12 ARG A 83 38.622 -6.803 4.208 1.00 0.00 H ATOM 1197 HH11 ARG A 83 36.946 -7.151 4.771 1.00 0.00 H ATOM 1198 HH22 ARG A 83 40.333 -6.619 5.698 1.00 0.00 H ATOM 1199 HH21 ARG A 83 40.020 -6.821 7.461 1.00 0.00 H ATOM 1200 H ARG A 83 34.764 -4.213 9.303 1.00 0.00 H ATOM 1201 N ASP A 84 33.099 -7.005 8.709 1.00 71.18 N ATOM 1202 CA ASP A 84 32.288 -8.204 8.911 1.00 70.58 C ATOM 1203 C ASP A 84 30.792 -7.918 8.775 1.00 67.10 C ATOM 1204 O ASP A 84 30.042 -8.747 8.256 1.00 66.91 O ATOM 1205 CB ASP A 84 32.578 -8.822 10.282 1.00 73.97 C ATOM 1206 CG ASP A 84 33.880 -9.599 10.311 1.00 77.64 C ATOM 1207 OD1 ASP A 84 33.874 -10.788 9.928 1.00 79.30 O ATOM 1208 OD2 ASP A 84 34.959 -9.107 10.704 1.00 79.36 O ATOM 1209 HA ASP A 84 32.562 -8.911 8.128 1.00 0.00 H ATOM 1210 HB2 ASP A 84 32.632 -8.022 11.021 1.00 0.00 H ATOM 1211 HB3 ASP A 84 31.763 -9.498 10.540 1.00 0.00 H ATOM 1212 H ASP A 84 33.559 -6.570 9.534 1.00 0.00 H ATOM 1213 N LEU A 85 30.372 -6.743 9.244 1.00 64.03 N ATOM 1214 CA LEU A 85 28.963 -6.348 9.232 1.00 60.80 C ATOM 1215 C LEU A 85 28.431 -6.091 7.820 1.00 57.46 C ATOM 1216 O LEU A 85 27.342 -6.551 7.471 1.00 56.76 O ATOM 1217 CB LEU A 85 28.744 -5.115 10.114 1.00 60.83 C ATOM 1218 CG LEU A 85 27.197 -4.492 9.957 1.00 57.92 C ATOM 1219 CD1 LEU A 85 26.136 -5.581 10.031 1.00 56.64 C ATOM 1220 CD2 LEU A 85 27.020 -3.494 11.077 1.00 59.90 C ATOM 1221 HA LEU A 85 28.399 -7.188 9.637 1.00 0.00 H ATOM 1222 HB2 LEU A 85 28.906 -5.394 11.155 1.00 0.00 H ATOM 1223 HB3 LEU A 85 29.463 -4.347 9.829 1.00 0.00 H ATOM 1224 HG LEU A 85 27.076 -4.021 8.981 1.00 0.00 H ATOM 1225 HD21 LEU A 85 27.141 -4.000 12.035 1.00 0.00 H ATOM 1226 HD22 LEU A 85 27.769 -2.707 10.983 1.00 0.00 H ATOM 1227 HD23 LEU A 85 26.023 -3.057 11.019 1.00 0.00 H ATOM 1228 HD11 LEU A 85 26.298 -6.300 9.228 1.00 0.00 H ATOM 1229 HD12 LEU A 85 26.204 -6.088 10.993 1.00 0.00 H ATOM 1230 HD13 LEU A 85 25.148 -5.132 9.925 1.00 0.00 H ATOM 1231 H LEU A 85 31.073 -6.081 9.634 1.00 0.00 H ATOM 1232 N ILE A 86 29.207 -5.359 7.020 1.00 55.17 N ATOM 1233 CA ILE A 86 28.828 -5.023 5.645 1.00 52.27 C ATOM 1234 C ILE A 86 28.824 -6.263 4.747 1.00 52.23 C ATOM 1235 O ILE A 86 28.023 -6.359 3.816 1.00 51.65 O ATOM 1236 CB ILE A 86 29.759 -3.910 5.069 1.00 51.18 C ATOM 1237 CG1 ILE A 86 29.794 -2.676 5.987 1.00 50.24 C ATOM 1238 CG2 ILE A 86 29.348 -3.517 3.647 1.00 50.20 C ATOM 1239 CD1 ILE A 86 28.436 -2.065 6.316 1.00 49.27 C ATOM 1240 HA ILE A 86 27.810 -4.633 5.665 1.00 0.00 H ATOM 1241 HB ILE A 86 30.766 -4.324 5.025 1.00 0.00 H ATOM 1242 HG12 ILE A 86 30.268 -2.968 6.924 1.00 0.00 H ATOM 1243 HG13 ILE A 86 30.398 -1.911 5.499 1.00 0.00 H ATOM 1244 HD11 ILE A 86 27.948 -1.750 5.394 1.00 0.00 H ATOM 1245 HD12 ILE A 86 27.818 -2.807 6.821 1.00 0.00 H ATOM 1246 HD13 ILE A 86 28.575 -1.203 6.968 1.00 0.00 H ATOM 1247 HG21 ILE A 86 29.410 -4.390 2.998 1.00 0.00 H ATOM 1248 HG22 ILE A 86 28.325 -3.142 3.657 1.00 0.00 H ATOM 1249 HG23 ILE A 86 30.018 -2.740 3.278 1.00 0.00 H ATOM 1250 H ILE A 86 30.117 -5.013 7.386 1.00 0.00 H ATOM 1251 N SER A 87 29.717 -7.206 5.043 1.00 53.46 N ATOM 1252 CA SER A 87 29.786 -8.482 4.331 1.00 54.17 C ATOM 1253 C SER A 87 28.496 -9.292 4.485 1.00 53.53 C ATOM 1254 O SER A 87 28.055 -9.953 3.543 1.00 53.43 O ATOM 1255 CB SER A 87 30.984 -9.300 4.819 1.00 56.61 C ATOM 1256 OG SER A 87 31.487 -10.134 3.791 1.00 58.55 O ATOM 1257 HA SER A 87 29.911 -8.258 3.272 1.00 0.00 H ATOM 1258 HB2 SER A 87 30.673 -9.920 5.660 1.00 0.00 H ATOM 1259 HB3 SER A 87 31.772 -8.619 5.143 1.00 0.00 H ATOM 1260 HG SER A 87 32.259 -10.650 4.134 1.00 0.00 H ATOM 1261 H SER A 87 30.393 -7.028 5.813 1.00 0.00 H ATOM 1262 N ASN A 88 27.903 -9.231 5.676 1.00 52.92 N ATOM 1263 CA ASN A 88 26.630 -9.891 5.956 1.00 52.63 C ATOM 1264 C ASN A 88 25.459 -9.209 5.251 1.00 49.27 C ATOM 1265 O ASN A 88 24.546 -9.876 4.760 1.00 49.51 O ATOM 1266 CB ASN A 88 26.374 -9.951 7.465 1.00 55.11 C ATOM 1267 CG ASN A 88 27.034 -11.147 8.121 1.00 59.14 C ATOM 1268 OD1 ASN A 88 26.459 -12.236 8.174 1.00 61.07 O ATOM 1269 ND2 ASN A 88 28.250 -10.952 8.623 1.00 60.43 N ATOM 1270 HA ASN A 88 26.704 -10.905 5.564 1.00 0.00 H ATOM 1271 HB2 ASN A 88 26.765 -9.042 7.922 1.00 0.00 H ATOM 1272 HB3 ASN A 88 25.299 -10.008 7.635 1.00 0.00 H ATOM 1273 HD22 ASN A 88 28.696 -10.015 8.555 1.00 0.00 H ATOM 1274 HD21 ASN A 88 28.754 -11.736 9.083 1.00 0.00 H ATOM 1275 H ASN A 88 28.364 -8.692 6.437 1.00 0.00 H ATOM 1276 N ILE A 89 25.497 -7.878 5.209 1.00 45.70 N ATOM 1277 CA ILE A 89 24.477 -7.084 4.531 1.00 42.46 C ATOM 1278 C ILE A 89 24.551 -7.305 3.019 1.00 41.05 C ATOM 1279 O ILE A 89 23.518 -7.425 2.356 1.00 41.17 O ATOM 1280 CB ILE A 89 24.622 -5.578 4.894 1.00 41.74 C ATOM 1281 CG1 ILE A 89 24.311 -5.348 6.378 1.00 42.00 C ATOM 1282 CG2 ILE A 89 23.713 -4.710 4.024 1.00 40.53 C ATOM 1283 CD1 ILE A 89 25.002 -4.133 6.982 1.00 41.50 C ATOM 1284 HA ILE A 89 23.494 -7.411 4.871 1.00 0.00 H ATOM 1285 HB ILE A 89 25.655 -5.288 4.702 1.00 0.00 H ATOM 1286 HG12 ILE A 89 23.234 -5.217 6.485 1.00 0.00 H ATOM 1287 HG13 ILE A 89 24.625 -6.231 6.934 1.00 0.00 H ATOM 1288 HD11 ILE A 89 26.082 -4.251 6.896 1.00 0.00 H ATOM 1289 HD12 ILE A 89 24.690 -3.236 6.447 1.00 0.00 H ATOM 1290 HD13 ILE A 89 24.727 -4.045 8.033 1.00 0.00 H ATOM 1291 HG21 ILE A 89 23.980 -4.843 2.976 1.00 0.00 H ATOM 1292 HG22 ILE A 89 22.675 -5.007 4.176 1.00 0.00 H ATOM 1293 HG23 ILE A 89 23.837 -3.663 4.302 1.00 0.00 H ATOM 1294 H ILE A 89 26.284 -7.385 5.678 1.00 0.00 H ATOM 1295 N ASN A 90 25.774 -7.376 2.493 1.00 39.90 N ATOM 1296 CA ASN A 90 26.015 -7.591 1.065 1.00 38.67 C ATOM 1297 C ASN A 90 25.380 -8.873 0.524 1.00 38.83 C ATOM 1298 O ASN A 90 24.801 -8.868 -0.563 1.00 38.70 O ATOM 1299 CB ASN A 90 27.519 -7.556 0.754 1.00 38.62 C ATOM 1300 CG ASN A 90 27.814 -7.532 -0.741 1.00 38.08 C ATOM 1301 OD1 ASN A 90 28.375 -8.481 -1.287 1.00 39.29 O ATOM 1302 ND2 ASN A 90 27.439 -6.445 -1.405 1.00 37.10 N ATOM 1303 HA ASN A 90 25.523 -6.767 0.548 1.00 0.00 H ATOM 1304 HB2 ASN A 90 27.948 -6.663 1.208 1.00 0.00 H ATOM 1305 HB3 ASN A 90 27.985 -8.441 1.187 1.00 0.00 H ATOM 1306 HD22 ASN A 90 26.967 -5.666 -0.903 1.00 0.00 H ATOM 1307 HD21 ASN A 90 27.617 -6.373 -2.427 1.00 0.00 H ATOM 1308 H ASN A 90 26.593 -7.274 3.125 1.00 0.00 H ATOM 1309 N VAL A 91 25.488 -9.958 1.289 1.00 39.84 N ATOM 1310 CA VAL A 91 24.893 -11.241 0.917 1.00 41.55 C ATOM 1311 C VAL A 91 23.368 -11.131 0.881 1.00 41.34 C ATOM 1312 O VAL A 91 22.745 -11.432 -0.138 1.00 40.89 O ATOM 1313 CB VAL A 91 25.338 -12.389 1.871 1.00 43.59 C ATOM 1314 CG1 VAL A 91 24.598 -13.689 1.557 1.00 44.49 C ATOM 1315 CG2 VAL A 91 26.846 -12.608 1.788 1.00 44.77 C ATOM 1316 HA VAL A 91 25.253 -11.492 -0.081 1.00 0.00 H ATOM 1317 HB VAL A 91 25.084 -12.089 2.888 1.00 0.00 H ATOM 1318 HG11 VAL A 91 23.526 -13.533 1.677 1.00 0.00 H ATOM 1319 HG12 VAL A 91 24.811 -13.988 0.531 1.00 0.00 H ATOM 1320 HG13 VAL A 91 24.932 -14.470 2.241 1.00 0.00 H ATOM 1321 HG21 VAL A 91 27.118 -12.874 0.766 1.00 0.00 H ATOM 1322 HG22 VAL A 91 27.361 -11.692 2.075 1.00 0.00 H ATOM 1323 HG23 VAL A 91 27.132 -13.414 2.463 1.00 0.00 H ATOM 1324 H VAL A 91 26.015 -9.890 2.183 1.00 0.00 H ATOM 1325 N ILE A 92 22.788 -10.677 1.992 1.00 42.01 N ATOM 1326 CA ILE A 92 21.338 -10.533 2.143 1.00 43.01 C ATOM 1327 C ILE A 92 20.705 -9.696 1.022 1.00 41.97 C ATOM 1328 O ILE A 92 19.700 -10.103 0.437 1.00 43.27 O ATOM 1329 CB ILE A 92 20.994 -9.956 3.554 1.00 44.14 C ATOM 1330 CG1 ILE A 92 21.374 -10.944 4.670 1.00 46.16 C ATOM 1331 CG2 ILE A 92 19.521 -9.539 3.654 1.00 44.80 C ATOM 1332 CD1 ILE A 92 20.880 -12.382 4.477 1.00 49.62 C ATOM 1333 HA ILE A 92 20.902 -11.528 2.058 1.00 0.00 H ATOM 1334 HB ILE A 92 21.594 -9.056 3.690 1.00 0.00 H ATOM 1335 HG12 ILE A 92 22.461 -10.969 4.740 1.00 0.00 H ATOM 1336 HG13 ILE A 92 20.959 -10.569 5.606 1.00 0.00 H ATOM 1337 HD11 ILE A 92 19.791 -12.386 4.420 1.00 0.00 H ATOM 1338 HD12 ILE A 92 21.295 -12.787 3.554 1.00 0.00 H ATOM 1339 HD13 ILE A 92 21.203 -12.992 5.320 1.00 0.00 H ATOM 1340 HG21 ILE A 92 19.310 -8.772 2.909 1.00 0.00 H ATOM 1341 HG22 ILE A 92 18.886 -10.406 3.474 1.00 0.00 H ATOM 1342 HG23 ILE A 92 19.324 -9.143 4.650 1.00 0.00 H ATOM 1343 H ILE A 92 23.396 -10.411 2.793 1.00 0.00 H ATOM 1344 N VAL A 93 21.305 -8.543 0.727 1.00 40.09 N ATOM 1345 CA VAL A 93 20.832 -7.665 -0.346 1.00 39.86 C ATOM 1346 C VAL A 93 20.857 -8.382 -1.699 1.00 41.37 C ATOM 1347 O VAL A 93 19.864 -8.368 -2.431 1.00 42.72 O ATOM 1348 CB VAL A 93 21.646 -6.338 -0.413 1.00 38.39 C ATOM 1349 CG1 VAL A 93 21.321 -5.547 -1.678 1.00 37.76 C ATOM 1350 CG2 VAL A 93 21.380 -5.483 0.814 1.00 37.52 C ATOM 1351 HA VAL A 93 19.799 -7.406 -0.113 1.00 0.00 H ATOM 1352 HB VAL A 93 22.703 -6.604 -0.439 1.00 0.00 H ATOM 1353 HG11 VAL A 93 21.566 -6.148 -2.554 1.00 0.00 H ATOM 1354 HG12 VAL A 93 20.259 -5.302 -1.689 1.00 0.00 H ATOM 1355 HG13 VAL A 93 21.907 -4.628 -1.691 1.00 0.00 H ATOM 1356 HG21 VAL A 93 20.318 -5.243 0.865 1.00 0.00 H ATOM 1357 HG22 VAL A 93 21.673 -6.032 1.709 1.00 0.00 H ATOM 1358 HG23 VAL A 93 21.959 -4.562 0.746 1.00 0.00 H ATOM 1359 H VAL A 93 22.139 -8.256 1.278 1.00 0.00 H ATOM 1360 N LEU A 94 21.985 -9.021 -2.008 1.00 42.23 N ATOM 1361 CA LEU A 94 22.165 -9.736 -3.273 1.00 44.17 C ATOM 1362 C LEU A 94 21.245 -10.950 -3.403 1.00 46.41 C ATOM 1363 O LEU A 94 20.804 -11.281 -4.505 1.00 48.43 O ATOM 1364 CB LEU A 94 23.625 -10.155 -3.453 1.00 44.73 C ATOM 1365 CG LEU A 94 24.238 -9.212 -3.494 1.00 59.31 C ATOM 1366 CD1 LEU A 94 25.654 -9.722 -3.335 1.00 59.55 C ATOM 1367 CD2 LEU A 94 23.926 -9.011 -4.978 1.00 56.25 C ATOM 1368 HA LEU A 94 21.889 -9.041 -4.066 1.00 0.00 H ATOM 1369 HB2 LEU A 94 23.943 -10.772 -2.613 1.00 0.00 H ATOM 1370 HB3 LEU A 94 23.741 -10.717 -4.379 1.00 0.00 H ATOM 1371 HG LEU A 94 24.087 -8.367 -2.823 1.00 0.00 H ATOM 1372 HD21 LEU A 94 24.288 -9.869 -5.544 1.00 0.00 H ATOM 1373 HD22 LEU A 94 22.849 -8.915 -5.112 1.00 0.00 H ATOM 1374 HD23 LEU A 94 24.420 -8.106 -5.332 1.00 0.00 H ATOM 1375 HD11 LEU A 94 25.747 -10.242 -2.382 1.00 0.00 H ATOM 1376 HD12 LEU A 94 25.885 -10.409 -4.149 1.00 0.00 H ATOM 1377 HD13 LEU A 94 26.347 -8.881 -3.360 1.00 0.00 H ATOM 1378 H LEU A 94 22.768 -9.011 -1.324 1.00 0.00 H ATOM 1379 N GLU A 95 20.961 -11.605 -2.280 1.00 47.01 N ATOM 1380 CA GLU A 95 20.036 -12.738 -2.255 1.00 49.48 C ATOM 1381 C GLU A 95 18.586 -12.279 -2.410 1.00 50.34 C ATOM 1382 O GLU A 95 17.766 -12.989 -2.994 1.00 52.62 O ATOM 1383 CB GLU A 95 20.201 -13.558 -0.970 1.00 50.42 C ATOM 1384 CG GLU A 95 21.547 -14.262 -0.841 1.00 51.46 C ATOM 1385 CD GLU A 95 21.425 -15.759 -0.629 1.00 54.73 C ATOM 1386 OE1 GLU A 95 20.704 -16.177 0.302 1.00 56.54 O ATOM 1387 OE2 GLU A 95 22.061 -16.521 -1.389 1.00 56.63 O ATOM 1388 HA GLU A 95 20.282 -13.375 -3.104 1.00 0.00 H ATOM 1389 HB2 GLU A 95 20.084 -12.887 -0.119 1.00 0.00 H ATOM 1390 HB3 GLU A 95 19.416 -14.314 -0.945 1.00 0.00 H ATOM 1391 HG2 GLU A 95 22.118 -14.087 -1.753 1.00 0.00 H ATOM 1392 HG3 GLU A 95 22.081 -13.835 0.008 1.00 0.00 H ATOM 1393 H GLU A 95 21.411 -11.302 -1.393 1.00 0.00 H ATOM 1394 N LEU A 96 18.281 -11.091 -1.891 1.00 49.50 N ATOM 1395 CA LEU A 96 16.934 -10.526 -1.979 1.00 51.64 C ATOM 1396 C LEU A 96 16.571 -10.078 -3.395 1.00 53.50 C ATOM 1397 O LEU A 96 15.420 -10.214 -3.815 1.00 55.20 O ATOM 1398 CB LEU A 96 16.765 -9.363 -0.996 1.00 50.41 C ATOM 1399 CG LEU A 96 16.376 -9.717 0.444 1.00 50.71 C ATOM 1400 CD1 LEU A 96 16.585 -8.523 1.363 1.00 49.28 C ATOM 1401 CD2 LEU A 96 14.937 -10.215 0.529 1.00 52.61 C ATOM 1402 HA LEU A 96 16.245 -11.327 -1.709 1.00 0.00 H ATOM 1403 HB2 LEU A 96 17.712 -8.825 -0.958 1.00 0.00 H ATOM 1404 HB3 LEU A 96 15.991 -8.706 -1.394 1.00 0.00 H ATOM 1405 HG LEU A 96 17.026 -10.528 0.773 1.00 0.00 H ATOM 1406 HD21 LEU A 96 14.263 -9.437 0.171 1.00 0.00 H ATOM 1407 HD22 LEU A 96 14.825 -11.107 -0.088 1.00 0.00 H ATOM 1408 HD23 LEU A 96 14.698 -10.456 1.565 1.00 0.00 H ATOM 1409 HD11 LEU A 96 17.634 -8.229 1.342 1.00 0.00 H ATOM 1410 HD12 LEU A 96 15.967 -7.692 1.023 1.00 0.00 H ATOM 1411 HD13 LEU A 96 16.303 -8.795 2.380 1.00 0.00 H ATOM 1412 H LEU A 96 19.024 -10.547 -1.408 1.00 0.00 H ATOM 1413 N LYS A 97 17.553 -9.544 -4.119 1.00 54.05 N ATOM 1414 CA LYS A 97 17.363 -9.143 -5.513 1.00 55.63 C ATOM 1415 C LYS A 97 17.841 -10.235 -6.467 1.00 57.22 C ATOM 1416 O LYS A 97 17.383 -10.325 -7.606 1.00 59.30 O ATOM 1417 CB LYS A 97 18.077 -7.816 -5.805 1.00 54.81 C ATOM 1418 CG LYS A 97 19.599 -7.867 -5.712 1.00 54.25 C ATOM 1419 CD LYS A 97 20.253 -7.189 -6.905 1.00 55.01 C ATOM 1420 CE LYS A 97 21.712 -7.596 -7.038 1.00 55.09 C ATOM 1421 NZ LYS A 97 22.252 -7.302 -8.394 1.00 56.44 N ATOM 1422 HA LYS A 97 16.295 -8.996 -5.675 1.00 0.00 H ATOM 1423 HB2 LYS A 97 17.810 -7.503 -6.815 1.00 0.00 H ATOM 1424 HB3 LYS A 97 17.719 -7.075 -5.090 1.00 0.00 H ATOM 1425 HG2 LYS A 97 19.916 -7.362 -4.800 1.00 0.00 H ATOM 1426 HG3 LYS A 97 19.917 -8.909 -5.678 1.00 0.00 H ATOM 1427 HD2 LYS A 97 19.720 -7.474 -7.812 1.00 0.00 H ATOM 1428 HD3 LYS A 97 20.196 -6.108 -6.776 1.00 0.00 H ATOM 1429 HE2 LYS A 97 21.798 -8.666 -6.849 1.00 0.00 H ATOM 1430 HE3 LYS A 97 22.299 -7.050 -6.299 1.00 0.00 H ATOM 1431 HZ1 LYS A 97 21.702 -7.825 -9.106 1.00 0.00 H ATOM 1432 HZ2 LYS A 97 22.181 -6.281 -8.580 1.00 0.00 H ATOM 1433 HZ3 LYS A 97 23.249 -7.595 -8.440 1.00 0.00 H ATOM 1434 H LYS A 97 18.485 -9.408 -3.679 1.00 0.00 H TER 1435 LYS A 97 ATOM 1436 N GLU A 100 19.790 -12.302 -10.971 1.00 93.06 N ATOM 1437 CA GLU A 100 18.634 -12.788 -11.717 1.00 95.41 C ATOM 1438 C GLU A 100 18.036 -11.706 -12.615 1.00 96.05 C ATOM 1439 O GLU A 100 17.618 -11.985 -13.740 1.00 98.82 O ATOM 1440 CB GLU A 100 17.567 -13.332 -10.763 1.00 95.34 C ATOM 1441 CG GLU A 100 17.909 -14.682 -10.153 1.00 96.24 C ATOM 1442 CD GLU A 100 16.736 -15.314 -9.426 1.00 97.39 C ATOM 1443 OE1 GLU A 100 16.240 -14.710 -8.449 1.00 95.87 O ATOM 1444 OE2 GLU A 100 16.312 -16.418 -9.830 1.00 99.82 O ATOM 1445 HA GLU A 100 18.982 -13.596 -12.361 1.00 0.00 H ATOM 1446 HB2 GLU A 100 17.433 -12.614 -9.954 1.00 0.00 H ATOM 1447 HB3 GLU A 100 16.633 -13.433 -11.316 1.00 0.00 H ATOM 1448 HG2 GLU A 100 18.228 -15.354 -10.950 1.00 0.00 H ATOM 1449 HG3 GLU A 100 18.726 -14.547 -9.445 1.00 0.00 H ATOM 1450 HN3 GLU A 100 19.503 -11.503 -10.370 1.00 0.00 H ATOM 1451 HN2 GLU A 100 20.525 -11.990 -11.637 1.00 0.00 H ATOM 1452 HN1 GLU A 100 20.164 -13.068 -10.375 1.00 0.00 H ATOM 1453 N THR A 101 17.996 -10.475 -12.109 1.00 93.88 N ATOM 1454 CA THR A 101 17.472 -9.337 -12.862 1.00 94.57 C ATOM 1455 C THR A 101 18.469 -8.182 -12.862 1.00 92.50 C ATOM 1456 O THR A 101 18.946 -7.763 -11.805 1.00 90.84 O ATOM 1457 CB THR A 101 16.111 -8.878 -12.286 1.00 95.03 C ATOM 1458 OG1 THR A 101 15.300 -10.021 -11.985 1.00 96.59 O ATOM 1459 CG2 THR A 101 15.298 -8.145 -13.346 1.00 97.44 C ATOM 1460 HA THR A 101 17.318 -9.656 -13.893 1.00 0.00 H ATOM 1461 HB THR A 101 16.333 -8.258 -11.418 1.00 0.00 H ATOM 1462 HG1 THR A 101 14.431 -9.720 -11.617 1.00 0.00 H ATOM 1463 HG23 THR A 101 15.831 -7.245 -13.652 1.00 0.00 H ATOM 1464 HG21 THR A 101 15.157 -8.796 -14.209 1.00 0.00 H ATOM 1465 HG22 THR A 101 14.327 -7.872 -12.933 1.00 0.00 H ATOM 1466 H THR A 101 18.350 -10.318 -11.144 1.00 0.00 H ATOM 1467 N THR A 102 18.781 -7.680 -14.054 1.00 92.99 N ATOM 1468 CA THR A 102 19.700 -6.555 -14.208 1.00 91.08 C ATOM 1469 C THR A 102 18.930 -5.240 -14.306 1.00 90.19 C ATOM 1470 O THR A 102 18.304 -4.948 -15.330 1.00 92.94 O ATOM 1471 CB THR A 102 20.614 -6.744 -15.441 1.00 93.34 C ATOM 1472 OG1 THR A 102 20.551 -8.102 -15.896 1.00 94.56 O ATOM 1473 CG2 THR A 102 22.075 -6.569 -15.052 1.00 92.30 C ATOM 1474 HA THR A 102 20.335 -6.518 -13.323 1.00 0.00 H ATOM 1475 HB THR A 102 20.284 -6.023 -16.188 1.00 0.00 H ATOM 1476 HG1 THR A 102 21.139 -8.212 -16.685 1.00 0.00 H ATOM 1477 HG23 THR A 102 22.233 -5.554 -14.687 1.00 0.00 H ATOM 1478 HG21 THR A 102 22.329 -7.283 -14.268 1.00 0.00 H ATOM 1479 HG22 THR A 102 22.705 -6.745 -15.924 1.00 0.00 H ATOM 1480 H THR A 102 18.357 -8.103 -14.904 1.00 0.00 H ATOM 1481 N PHE A 103 18.977 -4.458 -13.230 1.00 86.07 N ATOM 1482 CA PHE A 103 18.259 -3.188 -13.156 1.00 84.15 C ATOM 1483 C PHE A 103 19.216 -2.025 -12.918 1.00 81.17 C ATOM 1484 O PHE A 103 19.919 -1.984 -11.904 1.00 78.91 O ATOM 1485 CB PHE A 103 17.189 -3.240 -12.055 1.00 83.34 C ATOM 1486 CG PHE A 103 16.255 -2.056 -12.048 1.00 84.24 C ATOM 1487 CD1 PHE A 103 15.188 -1.986 -12.940 1.00 87.06 C ATOM 1488 CD2 PHE A 103 16.437 -1.017 -11.139 1.00 82.93 C ATOM 1489 CE1 PHE A 103 14.321 -0.893 -12.933 1.00 88.46 C ATOM 1490 CE2 PHE A 103 15.576 0.080 -11.123 1.00 84.20 C ATOM 1491 CZ PHE A 103 14.516 0.141 -12.023 1.00 87.01 C ATOM 1492 HA PHE A 103 17.766 -3.024 -14.114 1.00 0.00 H ATOM 1493 HB2 PHE A 103 16.596 -4.144 -12.196 1.00 0.00 H ATOM 1494 HB3 PHE A 103 17.693 -3.285 -11.089 1.00 0.00 H ATOM 1495 HD2 PHE A 103 17.264 -1.062 -10.430 1.00 0.00 H ATOM 1496 HE2 PHE A 103 15.733 0.887 -10.408 1.00 0.00 H ATOM 1497 HZ PHE A 103 13.841 0.997 -12.015 1.00 0.00 H ATOM 1498 HE1 PHE A 103 13.492 -0.849 -13.639 1.00 0.00 H ATOM 1499 HD1 PHE A 103 15.028 -2.795 -13.653 1.00 0.00 H ATOM 1500 H PHE A 103 19.545 -4.762 -12.413 1.00 0.00 H ATOM 1501 N MET A 104 19.240 -1.090 -13.865 1.00 80.82 N ATOM 1502 CA MET A 104 20.017 0.137 -13.733 1.00 78.13 C ATOM 1503 C MET A 104 19.317 1.072 -12.751 1.00 74.88 C ATOM 1504 O MET A 104 18.179 1.490 -12.983 1.00 76.37 O ATOM 1505 CB MET A 104 20.183 0.816 -15.095 1.00 81.33 C ATOM 1506 CG MET A 104 21.626 1.021 -15.524 1.00 81.73 C ATOM 1507 SD MET A 104 21.784 2.235 -16.849 1.00 85.45 S ATOM 1508 CE MET A 104 23.084 1.497 -17.840 1.00 87.18 C ATOM 1509 HA MET A 104 21.010 -0.105 -13.354 1.00 0.00 H ATOM 1510 HB2 MET A 104 19.688 0.200 -15.846 1.00 0.00 H ATOM 1511 HB3 MET A 104 19.699 1.791 -15.051 1.00 0.00 H ATOM 1512 HG2 MET A 104 22.027 0.069 -15.872 1.00 0.00 H ATOM 1513 HG3 MET A 104 22.202 1.364 -14.664 1.00 0.00 H ATOM 1514 HE1 MET A 104 23.985 1.393 -17.236 1.00 0.00 H ATOM 1515 HE2 MET A 104 22.762 0.515 -18.186 1.00 0.00 H ATOM 1516 HE3 MET A 104 23.292 2.136 -18.698 1.00 0.00 H ATOM 1517 H MET A 104 18.684 -1.240 -14.731 1.00 0.00 H ATOM 1518 N CYS A 105 19.997 1.384 -11.650 1.00 69.94 N ATOM 1519 CA CYS A 105 19.412 2.196 -10.586 1.00 66.45 C ATOM 1520 C CYS A 105 19.412 3.685 -10.912 1.00 66.68 C ATOM 1521 O CYS A 105 20.324 4.189 -11.572 1.00 67.17 O ATOM 1522 CB CYS A 105 20.124 1.949 -9.256 1.00 62.85 C ATOM 1523 SG CYS A 105 18.994 1.805 -7.851 1.00 60.90 S ATOM 1524 HA CYS A 105 18.371 1.884 -10.499 1.00 0.00 H ATOM 1525 HB2 CYS A 105 20.804 2.780 -9.069 1.00 0.00 H ATOM 1526 HB3 CYS A 105 20.695 1.024 -9.336 1.00 0.00 H ATOM 1527 H CYS A 105 20.973 1.040 -11.544 1.00 0.00 H ATOM 1528 N GLU A 106 18.380 4.377 -10.437 1.00 66.26 N ATOM 1529 CA GLU A 106 18.244 5.815 -10.640 1.00 67.00 C ATOM 1530 C GLU A 106 18.461 6.565 -9.334 1.00 64.05 C ATOM 1531 O GLU A 106 17.771 6.319 -8.342 1.00 63.34 O ATOM 1532 CB GLU A 106 16.869 6.151 -11.218 1.00 70.35 C ATOM 1533 CG GLU A 106 16.668 5.690 -12.651 1.00 73.08 C ATOM 1534 CD GLU A 106 15.218 5.746 -13.075 1.00 76.04 C ATOM 1535 OE1 GLU A 106 14.430 4.889 -12.624 1.00 76.24 O ATOM 1536 OE2 GLU A 106 14.869 6.651 -13.858 1.00 78.94 O ATOM 1537 HA GLU A 106 19.007 6.129 -11.352 1.00 0.00 H ATOM 1538 HB2 GLU A 106 16.111 5.676 -10.596 1.00 0.00 H ATOM 1539 HB3 GLU A 106 16.739 7.233 -11.185 1.00 0.00 H ATOM 1540 HG2 GLU A 106 17.251 6.332 -13.311 1.00 0.00 H ATOM 1541 HG3 GLU A 106 17.020 4.662 -12.741 1.00 0.00 H ATOM 1542 H GLU A 106 17.644 3.875 -9.902 1.00 0.00 H ATOM 1543 N TYR A 107 19.426 7.479 -9.345 1.00 62.38 N ATOM 1544 CA TYR A 107 19.763 8.255 -8.161 1.00 60.00 C ATOM 1545 C TYR A 107 19.113 9.634 -8.176 1.00 62.87 C ATOM 1546 O TYR A 107 18.975 10.257 -9.231 1.00 65.38 O ATOM 1547 CB TYR A 107 21.281 8.386 -8.021 1.00 57.80 C ATOM 1548 CG TYR A 107 21.972 7.111 -7.590 1.00 54.20 C ATOM 1549 CD1 TYR A 107 21.759 6.570 -6.321 1.00 51.94 C ATOM 1550 CD2 TYR A 107 22.844 6.446 -8.450 1.00 54.04 C ATOM 1551 CE1 TYR A 107 22.393 5.400 -5.921 1.00 49.64 C ATOM 1552 CE2 TYR A 107 23.484 5.275 -8.059 1.00 52.11 C ATOM 1553 CZ TYR A 107 23.254 4.759 -6.794 1.00 49.92 C ATOM 1554 OH TYR A 107 23.884 3.603 -6.402 1.00 48.36 O ATOM 1555 HA TYR A 107 19.369 7.717 -7.299 1.00 0.00 H ATOM 1556 HB3 TYR A 107 21.492 9.158 -7.280 1.00 0.00 H ATOM 1557 HB2 TYR A 107 21.690 8.688 -8.985 1.00 0.00 H ATOM 1558 HD2 TYR A 107 23.027 6.850 -9.445 1.00 0.00 H ATOM 1559 HE2 TYR A 107 24.163 4.766 -8.744 1.00 0.00 H ATOM 1560 HE1 TYR A 107 22.213 4.990 -4.927 1.00 0.00 H ATOM 1561 HD1 TYR A 107 21.083 7.075 -5.631 1.00 0.00 H ATOM 1562 HH TYR A 107 23.630 2.867 -7.013 1.00 0.00 H ATOM 1563 H TYR A 107 19.955 7.644 -10.225 1.00 0.00 H ATOM 1564 N ALA A 108 18.712 10.095 -6.994 1.00 62.78 N ATOM 1565 CA ALA A 108 18.129 11.422 -6.823 1.00 65.42 C ATOM 1566 C ALA A 108 19.195 12.506 -6.967 1.00 66.79 C ATOM 1567 O ALA A 108 20.390 12.235 -6.812 1.00 65.10 O ATOM 1568 CB ALA A 108 17.437 11.523 -5.471 1.00 64.49 C ATOM 1569 HA ALA A 108 17.386 11.576 -7.605 1.00 0.00 H ATOM 1570 HB1 ALA A 108 16.646 10.775 -5.412 1.00 0.00 H ATOM 1571 HB2 ALA A 108 18.164 11.348 -4.678 1.00 0.00 H ATOM 1572 HB3 ALA A 108 17.007 12.518 -5.358 1.00 0.00 H ATOM 1573 H ALA A 108 18.818 9.485 -6.158 1.00 0.00 H ATOM 1574 N ASP A 109 18.753 13.727 -7.263 1.00 70.14 N ATOM 1575 CA ASP A 109 19.651 14.864 -7.472 1.00 72.13 C ATOM 1576 C ASP A 109 20.402 15.282 -6.206 1.00 70.54 C ATOM 1577 O ASP A 109 21.537 15.756 -6.285 1.00 71.56 O ATOM 1578 CB ASP A 109 18.878 16.058 -8.041 1.00 76.90 C ATOM 1579 CG ASP A 109 19.367 16.468 -9.418 1.00 80.12 C ATOM 1580 OD1 ASP A 109 18.946 15.840 -10.411 1.00 81.48 O ATOM 1581 OD2 ASP A 109 20.171 17.405 -9.605 1.00 81.97 O ATOM 1582 HA ASP A 109 20.402 14.534 -8.189 1.00 0.00 H ATOM 1583 HB2 ASP A 109 17.824 15.791 -8.110 1.00 0.00 H ATOM 1584 HB3 ASP A 109 18.993 16.904 -7.363 1.00 0.00 H ATOM 1585 H ASP A 109 17.728 13.879 -7.349 1.00 0.00 H ATOM 1586 N GLU A 110 19.768 15.101 -5.049 1.00 68.52 N ATOM 1587 CA GLU A 110 20.351 15.496 -3.769 1.00 66.36 C ATOM 1588 C GLU A 110 20.975 14.321 -3.020 1.00 61.93 C ATOM 1589 O GLU A 110 20.392 13.236 -2.948 1.00 60.23 O ATOM 1590 CB GLU A 110 19.300 16.178 -2.889 1.00 68.34 C ATOM 1591 CG GLU A 110 19.672 17.505 -2.125 1.00103.69 C ATOM 1592 CD GLU A 110 19.327 17.602 -0.649 1.00104.58 C ATOM 1593 OE1 GLU A 110 18.384 18.347 -0.302 1.00107.25 O ATOM 1594 OE2 GLU A 110 20.004 16.938 0.166 1.00102.84 O ATOM 1595 HA GLU A 110 21.152 16.200 -3.993 1.00 0.00 H ATOM 1596 HB2 GLU A 110 18.450 16.409 -3.531 1.00 0.00 H ATOM 1597 HB3 GLU A 110 18.998 15.452 -2.135 1.00 0.00 H ATOM 1598 HG2 GLU A 110 20.750 17.639 -2.215 1.00 0.00 H ATOM 1599 HG3 GLU A 110 19.162 18.324 -2.631 1.00 0.00 H ATOM 1600 H GLU A 110 18.825 14.663 -5.057 1.00 0.00 H ATOM 1601 N THR A 111 22.165 14.550 -2.470 1.00 60.23 N ATOM 1602 CA THR A 111 22.863 13.556 -1.654 1.00 56.19 C ATOM 1603 C THR A 111 22.475 13.705 -0.182 1.00 54.81 C ATOM 1604 O THR A 111 21.963 14.749 0.228 1.00 57.27 O ATOM 1605 CB THR A 111 24.394 13.674 -1.829 1.00 56.27 C ATOM 1606 OG1 THR A 111 24.776 15.054 -1.864 1.00 58.86 O ATOM 1607 CG2 THR A 111 24.819 13.154 -3.197 1.00 56.56 C ATOM 1608 HA THR A 111 22.561 12.565 -1.993 1.00 0.00 H ATOM 1609 HB THR A 111 24.846 13.119 -1.007 1.00 0.00 H ATOM 1610 HG1 THR A 111 25.757 15.121 -1.976 1.00 0.00 H ATOM 1611 HG23 THR A 111 24.570 12.096 -3.276 1.00 0.00 H ATOM 1612 HG21 THR A 111 24.296 13.711 -3.974 1.00 0.00 H ATOM 1613 HG22 THR A 111 25.895 13.285 -3.316 1.00 0.00 H ATOM 1614 H THR A 111 22.617 15.473 -2.627 1.00 0.00 H ATOM 1615 N ALA A 112 22.722 12.662 0.608 1.00 51.56 N ATOM 1616 CA ALA A 112 22.281 12.634 2.003 1.00 50.14 C ATOM 1617 C ALA A 112 23.354 12.184 2.997 1.00 48.08 C ATOM 1618 O ALA A 112 24.364 11.583 2.619 1.00 46.73 O ATOM 1619 CB ALA A 112 21.036 11.767 2.140 1.00 49.56 C ATOM 1620 HA ALA A 112 22.054 13.667 2.265 1.00 0.00 H ATOM 1621 HB1 ALA A 112 20.239 12.177 1.520 1.00 0.00 H ATOM 1622 HB2 ALA A 112 21.264 10.752 1.816 1.00 0.00 H ATOM 1623 HB3 ALA A 112 20.717 11.754 3.182 1.00 0.00 H ATOM 1624 H ALA A 112 23.241 11.847 0.224 1.00 0.00 H ATOM 1625 N THR A 113 23.108 12.482 4.272 1.00 47.53 N ATOM 1626 CA THR A 113 23.977 12.069 5.372 1.00 46.18 C ATOM 1627 C THR A 113 23.743 10.599 5.733 1.00 43.55 C ATOM 1628 O THR A 113 22.825 9.963 5.210 1.00 42.42 O ATOM 1629 CB THR A 113 23.737 12.960 6.613 1.00 48.30 C ATOM 1630 OG1 THR A 113 22.355 12.898 6.994 1.00 49.10 O ATOM 1631 CG2 THR A 113 23.947 14.434 6.280 1.00 50.47 C ATOM 1632 HA THR A 113 25.010 12.185 5.045 1.00 0.00 H ATOM 1633 HB THR A 113 24.421 12.606 7.384 1.00 0.00 H ATOM 1634 HG1 THR A 113 22.207 13.470 7.788 1.00 0.00 H ATOM 1635 HG23 THR A 113 24.981 14.592 5.974 1.00 0.00 H ATOM 1636 HG21 THR A 113 23.279 14.721 5.468 1.00 0.00 H ATOM 1637 HG22 THR A 113 23.731 15.039 7.161 1.00 0.00 H ATOM 1638 H THR A 113 22.256 13.035 4.495 1.00 0.00 H ATOM 1639 N ILE A 114 24.575 10.073 6.632 1.00 42.01 N ATOM 1640 CA ILE A 114 24.455 8.693 7.112 1.00 39.57 C ATOM 1641 C ILE A 114 23.106 8.419 7.793 1.00 39.62 C ATOM 1642 O ILE A 114 22.518 7.352 7.607 1.00 39.18 O ATOM 1643 CB ILE A 114 25.660 8.316 8.038 1.00 39.89 C ATOM 1644 CG1 ILE A 114 25.465 6.940 8.685 1.00 39.06 C ATOM 1645 CG2 ILE A 114 25.904 9.380 9.110 1.00 42.05 C ATOM 1646 CD1 ILE A 114 26.060 5.796 7.900 1.00 37.55 C ATOM 1647 HA ILE A 114 24.488 8.046 6.235 1.00 0.00 H ATOM 1648 HB ILE A 114 26.544 8.270 7.401 1.00 0.00 H ATOM 1649 HG12 ILE A 114 25.930 6.957 9.671 1.00 0.00 H ATOM 1650 HG13 ILE A 114 24.395 6.761 8.792 1.00 0.00 H ATOM 1651 HD11 ILE A 114 25.598 5.754 6.914 1.00 0.00 H ATOM 1652 HD12 ILE A 114 27.134 5.950 7.793 1.00 0.00 H ATOM 1653 HD13 ILE A 114 25.877 4.860 8.428 1.00 0.00 H ATOM 1654 HG21 ILE A 114 26.124 10.334 8.630 1.00 0.00 H ATOM 1655 HG22 ILE A 114 25.013 9.481 9.729 1.00 0.00 H ATOM 1656 HG23 ILE A 114 26.748 9.081 9.731 1.00 0.00 H ATOM 1657 H ILE A 114 25.341 10.667 7.009 1.00 0.00 H ATOM 1658 N VAL A 115 22.620 9.391 8.560 1.00 40.86 N ATOM 1659 CA VAL A 115 21.347 9.269 9.272 1.00 41.73 C ATOM 1660 C VAL A 115 20.165 9.209 8.296 1.00 41.66 C ATOM 1661 O VAL A 115 19.243 8.411 8.480 1.00 41.13 O ATOM 1662 CB VAL A 115 21.156 10.415 10.302 1.00 43.69 C ATOM 1663 CG1 VAL A 115 19.844 10.263 11.057 1.00 45.44 C ATOM 1664 CG2 VAL A 115 22.322 10.456 11.280 1.00 44.00 C ATOM 1665 HA VAL A 115 21.376 8.329 9.824 1.00 0.00 H ATOM 1666 HB VAL A 115 21.125 11.355 9.751 1.00 0.00 H ATOM 1667 HG11 VAL A 115 19.015 10.288 10.350 1.00 0.00 H ATOM 1668 HG12 VAL A 115 19.841 9.312 11.589 1.00 0.00 H ATOM 1669 HG13 VAL A 115 19.740 11.081 11.770 1.00 0.00 H ATOM 1670 HG21 VAL A 115 22.381 9.507 11.813 1.00 0.00 H ATOM 1671 HG22 VAL A 115 23.249 10.624 10.732 1.00 0.00 H ATOM 1672 HG23 VAL A 115 22.168 11.266 11.993 1.00 0.00 H ATOM 1673 H VAL A 115 23.165 10.271 8.658 1.00 0.00 H ATOM 1674 N GLU A 116 20.206 10.041 7.258 1.00 42.37 N ATOM 1675 CA GLU A 116 19.158 10.058 6.239 1.00 43.26 C ATOM 1676 C GLU A 116 19.231 8.835 5.325 1.00 40.64 C ATOM 1677 O GLU A 116 18.203 8.344 4.853 1.00 41.40 O ATOM 1678 CB GLU A 116 19.227 11.343 5.415 1.00 46.20 C ATOM 1679 CG GLU A 116 17.868 11.887 5.008 1.00 49.97 C ATOM 1680 CD GLU A 116 17.957 13.253 4.360 1.00 53.55 C ATOM 1681 OE1 GLU A 116 18.177 13.316 3.131 1.00 53.79 O ATOM 1682 OE2 GLU A 116 17.805 14.265 5.078 1.00 56.73 O ATOM 1683 HA GLU A 116 18.201 10.023 6.759 1.00 0.00 H ATOM 1684 HB2 GLU A 116 19.738 12.103 6.006 1.00 0.00 H ATOM 1685 HB3 GLU A 116 19.801 11.141 4.511 1.00 0.00 H ATOM 1686 HG2 GLU A 116 17.412 11.194 4.301 1.00 0.00 H ATOM 1687 HG3 GLU A 116 17.241 11.962 5.897 1.00 0.00 H ATOM 1688 H GLU A 116 21.007 10.698 7.169 1.00 0.00 H ATOM 1689 N PHE A 117 20.450 8.353 5.086 1.00 37.65 N ATOM 1690 CA PHE A 117 20.690 7.170 4.261 1.00 34.28 C ATOM 1691 C PHE A 117 20.114 5.906 4.901 1.00 33.79 C ATOM 1692 O PHE A 117 19.442 5.119 4.233 1.00 33.46 O ATOM 1693 CB PHE A 117 22.193 7.002 3.998 1.00 31.97 C ATOM 1694 CG PHE A 117 22.555 5.726 3.287 1.00 29.85 C ATOM 1695 CD1 PHE A 117 22.404 5.614 1.908 1.00 30.17 C ATOM 1696 CD2 PHE A 117 23.060 4.640 3.994 1.00 28.37 C ATOM 1697 CE1 PHE A 117 22.741 4.435 1.244 1.00 28.68 C ATOM 1698 CE2 PHE A 117 23.400 3.459 3.340 1.00 27.71 C ATOM 1699 CZ PHE A 117 23.242 3.359 1.961 1.00 27.42 C ATOM 1700 HA PHE A 117 20.177 7.318 3.311 1.00 0.00 H ATOM 1701 HB2 PHE A 117 22.530 7.841 3.389 1.00 0.00 H ATOM 1702 HB3 PHE A 117 22.712 7.019 4.956 1.00 0.00 H ATOM 1703 HD2 PHE A 117 23.191 4.714 5.074 1.00 0.00 H ATOM 1704 HE2 PHE A 117 23.789 2.614 3.907 1.00 0.00 H ATOM 1705 HZ PHE A 117 23.511 2.437 1.446 1.00 0.00 H ATOM 1706 HE1 PHE A 117 22.611 4.359 0.164 1.00 0.00 H ATOM 1707 HD1 PHE A 117 22.017 6.459 1.339 1.00 0.00 H ATOM 1708 H PHE A 117 21.268 8.840 5.505 1.00 0.00 H ATOM 1709 N LEU A 118 20.386 5.723 6.192 1.00 33.98 N ATOM 1710 CA LEU A 118 19.936 4.544 6.927 1.00 33.29 C ATOM 1711 C LEU A 118 18.423 4.537 7.110 1.00 34.61 C ATOM 1712 O LEU A 118 17.772 3.523 6.857 1.00 35.79 O ATOM 1713 CB LEU A 118 20.626 4.453 8.292 1.00 33.11 C ATOM 1714 CG LEU A 118 22.105 4.069 8.352 1.00 31.36 C ATOM 1715 CD1 LEU A 118 22.713 4.610 9.632 1.00 32.52 C ATOM 1716 CD2 LEU A 118 22.294 2.564 8.268 1.00 29.84 C ATOM 1717 HA LEU A 118 20.211 3.673 6.332 1.00 0.00 H ATOM 1718 HB2 LEU A 118 20.530 5.431 8.764 1.00 0.00 H ATOM 1719 HB3 LEU A 118 20.080 3.713 8.877 1.00 0.00 H ATOM 1720 HG LEU A 118 22.612 4.508 7.493 1.00 0.00 H ATOM 1721 HD21 LEU A 118 21.779 2.087 9.102 1.00 0.00 H ATOM 1722 HD22 LEU A 118 21.880 2.199 7.328 1.00 0.00 H ATOM 1723 HD23 LEU A 118 23.358 2.330 8.314 1.00 0.00 H ATOM 1724 HD11 LEU A 118 22.617 5.696 9.648 1.00 0.00 H ATOM 1725 HD12 LEU A 118 22.190 4.185 10.489 1.00 0.00 H ATOM 1726 HD13 LEU A 118 23.767 4.337 9.676 1.00 0.00 H ATOM 1727 H LEU A 118 20.939 6.446 6.695 1.00 0.00 H ATOM 1728 N ASN A 119 17.876 5.674 7.539 1.00 36.20 N ATOM 1729 CA ASN A 119 16.444 5.807 7.807 1.00 39.21 C ATOM 1730 C ASN A 119 15.569 5.530 6.587 1.00 39.78 C ATOM 1731 O ASN A 119 14.499 4.931 6.710 1.00 41.68 O ATOM 1732 CB ASN A 119 16.124 7.191 8.381 1.00 41.04 C ATOM 1733 CG ASN A 119 16.243 7.238 9.894 1.00 42.10 C ATOM 1734 OD1 ASN A 119 17.168 7.844 10.435 1.00 42.16 O ATOM 1735 ND2 ASN A 119 15.302 6.600 10.583 1.00 43.40 N ATOM 1736 HA ASN A 119 16.205 5.041 8.545 1.00 0.00 H ATOM 1737 HB2 ASN A 119 16.817 7.915 7.953 1.00 0.00 H ATOM 1738 HB3 ASN A 119 15.104 7.458 8.102 1.00 0.00 H ATOM 1739 HD22 ASN A 119 14.539 6.101 10.082 1.00 0.00 H ATOM 1740 HD21 ASN A 119 15.329 6.600 11.623 1.00 0.00 H ATOM 1741 H ASN A 119 18.491 6.499 7.689 1.00 0.00 H ATOM 1742 N ARG A 120 16.037 5.962 5.417 1.00 39.23 N ATOM 1743 CA ARG A 120 15.327 5.748 4.159 1.00 39.05 C ATOM 1744 C ARG A 120 15.254 4.266 3.797 1.00 36.44 C ATOM 1745 O ARG A 120 14.226 3.791 3.312 1.00 38.13 O ATOM 1746 CB ARG A 120 15.985 6.549 3.029 1.00 40.16 C ATOM 1747 CG ARG A 120 15.203 6.573 1.716 1.00 43.44 C ATOM 1748 CD ARG A 120 14.056 7.584 1.669 1.00 48.14 C ATOM 1749 NE ARG A 120 14.519 8.971 1.586 1.00 50.73 N ATOM 1750 CZ ARG A 120 14.955 9.566 0.477 1.00 52.32 C ATOM 1751 NH1 ARG A 120 15.008 8.903 -0.674 1.00 52.09 N ATOM 1752 NH2 ARG A 120 15.347 10.833 0.519 1.00 53.80 N ATOM 1753 HA ARG A 120 14.305 6.103 4.291 1.00 0.00 H ATOM 1754 HB2 ARG A 120 16.107 7.577 3.369 1.00 0.00 H ATOM 1755 HB3 ARG A 120 16.965 6.114 2.832 1.00 0.00 H ATOM 1756 HG2 ARG A 120 15.899 6.812 0.911 1.00 0.00 H ATOM 1757 HG3 ARG A 120 14.786 5.579 1.551 1.00 0.00 H ATOM 1758 HD2 ARG A 120 13.456 7.471 2.572 1.00 0.00 H ATOM 1759 HD3 ARG A 120 13.440 7.370 0.796 1.00 0.00 H ATOM 1760 HE ARG A 120 14.506 9.535 2.460 1.00 0.00 H ATOM 1761 HH12 ARG A 120 15.350 9.379 -1.533 1.00 0.00 H ATOM 1762 HH11 ARG A 120 14.707 7.908 -0.716 1.00 0.00 H ATOM 1763 HH22 ARG A 120 15.688 11.301 -0.345 1.00 0.00 H ATOM 1764 HH21 ARG A 120 15.313 11.358 1.416 1.00 0.00 H ATOM 1765 H ARG A 120 16.943 6.472 5.399 1.00 0.00 H ATOM 1766 N TRP A 121 16.345 3.544 4.045 1.00 33.26 N ATOM 1767 CA TRP A 121 16.409 2.116 3.750 1.00 31.94 C ATOM 1768 C TRP A 121 15.712 1.268 4.811 1.00 34.19 C ATOM 1769 O TRP A 121 15.189 0.195 4.503 1.00 34.93 O ATOM 1770 CB TRP A 121 17.857 1.668 3.553 1.00 29.13 C ATOM 1771 CG TRP A 121 18.415 2.061 2.218 1.00 27.36 C ATOM 1772 CD1 TRP A 121 19.438 2.934 1.982 1.00 26.12 C ATOM 1773 CD2 TRP A 121 17.979 1.601 0.933 1.00 26.76 C ATOM 1774 NE1 TRP A 121 19.666 3.044 0.631 1.00 25.50 N ATOM 1775 CE2 TRP A 121 18.784 2.237 -0.037 1.00 25.86 C ATOM 1776 CE3 TRP A 121 16.985 0.710 0.498 1.00 27.04 C ATOM 1777 CZ2 TRP A 121 18.631 2.012 -1.409 1.00 26.38 C ATOM 1778 CZ3 TRP A 121 16.831 0.488 -0.867 1.00 27.11 C ATOM 1779 CH2 TRP A 121 17.651 1.138 -1.803 1.00 26.61 C ATOM 1780 HA TRP A 121 15.867 1.958 2.818 1.00 0.00 H ATOM 1781 HB2 TRP A 121 18.470 2.120 4.333 1.00 0.00 H ATOM 1782 HB3 TRP A 121 17.900 0.583 3.642 1.00 0.00 H ATOM 1783 HE1 TRP A 121 20.391 3.643 0.188 1.00 0.00 H ATOM 1784 HD1 TRP A 121 19.994 3.467 2.754 1.00 0.00 H ATOM 1785 HZ2 TRP A 121 19.268 2.513 -2.138 1.00 0.00 H ATOM 1786 HH2 TRP A 121 17.505 0.944 -2.866 1.00 0.00 H ATOM 1787 HZ3 TRP A 121 16.062 -0.201 -1.215 1.00 0.00 H ATOM 1788 HE3 TRP A 121 16.344 0.200 1.218 1.00 0.00 H ATOM 1789 H TRP A 121 17.176 4.011 4.461 1.00 0.00 H ATOM 1790 N ILE A 122 15.709 1.752 6.054 1.00 35.74 N ATOM 1791 CA ILE A 122 14.930 1.134 7.126 1.00 38.35 C ATOM 1792 C ILE A 122 13.440 1.205 6.780 1.00 42.40 C ATOM 1793 O ILE A 122 12.725 0.207 6.890 1.00 44.95 O ATOM 1794 CB ILE A 122 15.229 1.810 8.494 1.00 39.11 C ATOM 1795 CG1 ILE A 122 16.574 1.326 9.048 1.00 37.45 C ATOM 1796 CG2 ILE A 122 14.113 1.537 9.507 1.00 40.96 C ATOM 1797 CD1 ILE A 122 17.282 2.329 9.943 1.00 36.73 C ATOM 1798 HA ILE A 122 15.217 0.087 7.218 1.00 0.00 H ATOM 1799 HB ILE A 122 15.279 2.886 8.328 1.00 0.00 H ATOM 1800 HG12 ILE A 122 16.398 0.418 9.625 1.00 0.00 H ATOM 1801 HG13 ILE A 122 17.228 1.099 8.206 1.00 0.00 H ATOM 1802 HD11 ILE A 122 17.479 3.241 9.380 1.00 0.00 H ATOM 1803 HD12 ILE A 122 16.649 2.560 10.800 1.00 0.00 H ATOM 1804 HD13 ILE A 122 18.224 1.904 10.289 1.00 0.00 H ATOM 1805 HG21 ILE A 122 13.172 1.931 9.124 1.00 0.00 H ATOM 1806 HG22 ILE A 122 14.021 0.462 9.664 1.00 0.00 H ATOM 1807 HG23 ILE A 122 14.354 2.024 10.452 1.00 0.00 H ATOM 1808 H ILE A 122 16.279 2.596 6.267 1.00 0.00 H ATOM 1809 N THR A 123 12.993 2.384 6.345 1.00 43.95 N ATOM 1810 CA THR A 123 11.605 2.602 5.937 1.00 46.73 C ATOM 1811 C THR A 123 11.242 1.761 4.709 1.00 46.97 C ATOM 1812 O THR A 123 10.133 1.227 4.626 1.00 48.55 O ATOM 1813 CB THR A 123 11.342 4.108 5.681 1.00 48.45 C ATOM 1814 OG1 THR A 123 11.761 4.870 6.821 1.00 48.34 O ATOM 1815 CG2 THR A 123 9.845 4.398 5.609 1.00 51.48 C ATOM 1816 HA THR A 123 10.961 2.277 6.754 1.00 0.00 H ATOM 1817 HB THR A 123 11.866 4.361 4.759 1.00 0.00 H ATOM 1818 HG1 THR A 123 12.728 4.726 6.975 1.00 0.00 H ATOM 1819 HG23 THR A 123 9.412 3.862 4.764 1.00 0.00 H ATOM 1820 HG21 THR A 123 9.368 4.070 6.532 1.00 0.00 H ATOM 1821 HG22 THR A 123 9.690 5.469 5.479 1.00 0.00 H ATOM 1822 H THR A 123 13.659 3.181 6.294 1.00 0.00 H ATOM 1823 N PHE A 124 12.183 1.641 3.772 1.00 45.53 N ATOM 1824 CA PHE A 124 12.006 0.795 2.592 1.00 45.53 C ATOM 1825 C PHE A 124 11.744 -0.656 2.992 1.00 45.68 C ATOM 1826 O PHE A 124 10.817 -1.285 2.481 1.00 47.33 O ATOM 1827 CB PHE A 124 13.229 0.877 1.668 1.00 43.39 C ATOM 1828 CG PHE A 124 13.335 -0.268 0.689 1.00 42.57 C ATOM 1829 CD1 PHE A 124 12.594 -0.265 -0.489 1.00 43.63 C ATOM 1830 CD2 PHE A 124 14.175 -1.350 0.949 1.00 40.90 C ATOM 1831 CE1 PHE A 124 12.688 -1.320 -1.394 1.00 43.52 C ATOM 1832 CE2 PHE A 124 14.274 -2.409 0.053 1.00 40.67 C ATOM 1833 CZ PHE A 124 13.529 -2.394 -1.122 1.00 42.12 C ATOM 1834 HA PHE A 124 11.137 1.165 2.049 1.00 0.00 H ATOM 1835 HB2 PHE A 124 13.171 1.807 1.103 1.00 0.00 H ATOM 1836 HB3 PHE A 124 14.127 0.884 2.286 1.00 0.00 H ATOM 1837 HD2 PHE A 124 14.762 -1.366 1.867 1.00 0.00 H ATOM 1838 HE2 PHE A 124 14.934 -3.249 0.271 1.00 0.00 H ATOM 1839 HZ PHE A 124 13.604 -3.222 -1.827 1.00 0.00 H ATOM 1840 HE1 PHE A 124 12.103 -1.304 -2.314 1.00 0.00 H ATOM 1841 HD1 PHE A 124 11.932 0.573 -0.706 1.00 0.00 H ATOM 1842 H PHE A 124 13.073 2.167 3.884 1.00 0.00 H ATOM 1843 N CYS A 125 12.566 -1.171 3.905 1.00 44.09 N ATOM 1844 CA CYS A 125 12.451 -2.545 4.387 1.00 44.37 C ATOM 1845 C CYS A 125 11.124 -2.795 5.106 1.00 47.46 C ATOM 1846 O CYS A 125 10.528 -3.864 4.962 1.00 48.22 O ATOM 1847 CB CYS A 125 13.627 -2.888 5.306 1.00 42.67 C ATOM 1848 SG CYS A 125 15.190 -3.170 4.443 1.00 40.06 S ATOM 1849 HA CYS A 125 12.475 -3.197 3.514 1.00 0.00 H ATOM 1850 HB2 CYS A 125 13.375 -3.792 5.860 1.00 0.00 H ATOM 1851 HB3 CYS A 125 13.767 -2.063 6.004 1.00 0.00 H ATOM 1852 HG CYS A 125 15.541 -2.032 3.746 1.00 0.00 H ATOM 1853 H CYS A 125 13.321 -0.569 4.291 1.00 0.00 H ATOM 1854 N GLN A 126 10.669 -1.799 5.865 1.00 48.99 N ATOM 1855 CA GLN A 126 9.403 -1.872 6.594 1.00 52.07 C ATOM 1856 C GLN A 126 8.188 -1.859 5.661 1.00 54.53 C ATOM 1857 O GLN A 126 7.109 -2.322 6.034 1.00 57.42 O ATOM 1858 CB GLN A 126 9.302 -0.729 7.609 1.00 52.71 C ATOM 1859 CG GLN A 126 10.184 -0.911 8.843 1.00 51.43 C ATOM 1860 CD GLN A 126 10.388 0.369 9.643 1.00 51.48 C ATOM 1861 OE1 GLN A 126 10.652 0.313 10.842 1.00 51.95 O ATOM 1862 NE2 GLN A 126 10.275 1.519 8.984 1.00 51.38 N ATOM 1863 HA GLN A 126 9.395 -2.826 7.121 1.00 0.00 H ATOM 1864 HB2 GLN A 126 9.594 0.197 7.113 1.00 0.00 H ATOM 1865 HB3 GLN A 126 8.265 -0.653 7.937 1.00 0.00 H ATOM 1866 HG2 GLN A 126 9.719 -1.653 9.492 1.00 0.00 H ATOM 1867 HG3 GLN A 126 11.159 -1.274 8.519 1.00 0.00 H ATOM 1868 HE22 GLN A 126 10.050 1.517 7.969 1.00 0.00 H ATOM 1869 HE21 GLN A 126 10.412 2.421 9.484 1.00 0.00 H ATOM 1870 H GLN A 126 11.239 -0.932 5.942 1.00 0.00 H ATOM 1871 N SER A 127 8.376 -1.330 4.454 1.00 53.95 N ATOM 1872 CA SER A 127 7.317 -1.269 3.450 1.00 56.77 C ATOM 1873 C SER A 127 7.087 -2.614 2.760 1.00 58.39 C ATOM 1874 O SER A 127 5.947 -2.965 2.447 1.00 61.41 O ATOM 1875 CB SER A 127 7.623 -0.188 2.409 1.00 55.81 C ATOM 1876 OG SER A 127 6.843 0.118 1.669 1.00 94.52 O ATOM 1877 HA SER A 127 6.398 -1.013 3.977 1.00 0.00 H ATOM 1878 HB2 SER A 127 8.480 -0.539 1.834 1.00 0.00 H ATOM 1879 HB3 SER A 127 7.901 0.710 2.961 1.00 0.00 H ATOM 1880 HG SER A 127 7.209 0.822 1.077 1.00 0.00 H ATOM 1881 H SER A 127 9.313 -0.945 4.217 1.00 0.00 H ATOM 1882 N ILE A 128 8.168 -3.359 2.526 1.00 57.23 N ATOM 1883 CA ILE A 128 8.089 -4.654 1.843 1.00 58.41 C ATOM 1884 C ILE A 128 7.479 -5.734 2.739 1.00 61.37 C ATOM 1885 O ILE A 128 6.662 -6.535 2.278 1.00 64.30 O ATOM 1886 CB ILE A 128 9.477 -5.106 1.295 1.00 55.57 C ATOM 1887 CG1 ILE A 128 10.250 -3.934 0.664 1.00 53.79 C ATOM 1888 CG2 ILE A 128 9.322 -6.272 0.307 1.00 56.14 C ATOM 1889 CD1 ILE A 128 9.644 -3.355 -0.618 1.00 54.98 C ATOM 1890 HA ILE A 128 7.424 -4.517 0.990 1.00 0.00 H ATOM 1891 HB ILE A 128 10.067 -5.458 2.141 1.00 0.00 H ATOM 1892 HG12 ILE A 128 10.305 -3.133 1.401 1.00 0.00 H ATOM 1893 HG13 ILE A 128 11.257 -4.282 0.432 1.00 0.00 H ATOM 1894 HD11 ILE A 128 9.593 -4.134 -1.378 1.00 0.00 H ATOM 1895 HD12 ILE A 128 8.641 -2.984 -0.409 1.00 0.00 H ATOM 1896 HD13 ILE A 128 10.268 -2.536 -0.976 1.00 0.00 H ATOM 1897 HG21 ILE A 128 8.852 -7.115 0.813 1.00 0.00 H ATOM 1898 HG22 ILE A 128 8.699 -5.957 -0.530 1.00 0.00 H ATOM 1899 HG23 ILE A 128 10.305 -6.568 -0.060 1.00 0.00 H ATOM 1900 H ILE A 128 9.097 -3.010 2.838 1.00 0.00 H ATOM 1901 N ILE A 129 7.875 -5.744 4.013 1.00 61.79 N ATOM 1902 CA ILE A 129 7.331 -6.682 5.002 1.00 64.75 C ATOM 1903 C ILE A 129 5.818 -6.495 5.171 1.00 70.18 C ATOM 1904 O ILE A 129 5.089 -7.457 5.424 1.00 72.89 O ATOM 1905 CB ILE A 129 8.069 -6.543 6.368 1.00 62.57 C ATOM 1906 CG1 ILE A 129 9.568 -6.819 6.204 1.00 58.72 C ATOM 1907 CG2 ILE A 129 7.477 -7.497 7.413 1.00 64.91 C ATOM 1908 CD1 ILE A 129 10.442 -6.216 7.292 1.00 56.46 C ATOM 1909 HA ILE A 129 7.500 -7.693 4.630 1.00 0.00 H ATOM 1910 HB ILE A 129 7.933 -5.519 6.715 1.00 0.00 H ATOM 1911 HG12 ILE A 129 9.718 -7.899 6.206 1.00 0.00 H ATOM 1912 HG13 ILE A 129 9.887 -6.411 5.245 1.00 0.00 H ATOM 1913 HD11 ILE A 129 10.317 -5.133 7.298 1.00 0.00 H ATOM 1914 HD12 ILE A 129 10.148 -6.623 8.260 1.00 0.00 H ATOM 1915 HD13 ILE A 129 11.486 -6.461 7.095 1.00 0.00 H ATOM 1916 HG21 ILE A 129 6.422 -7.264 7.560 1.00 0.00 H ATOM 1917 HG22 ILE A 129 7.578 -8.525 7.064 1.00 0.00 H ATOM 1918 HG23 ILE A 129 8.011 -7.378 8.356 1.00 0.00 H ATOM 1919 H ILE A 129 8.597 -5.060 4.317 1.00 0.00 H ATOM 1920 N SER A 130 5.359 -5.255 5.011 1.00 72.67 N ATOM 1921 CA SER A 130 3.941 -4.922 5.127 1.00 78.35 C ATOM 1922 C SER A 130 3.119 -5.356 3.908 1.00 81.80 C ATOM 1923 O SER A 130 1.897 -5.499 4.003 1.00 85.74 O ATOM 1924 CB SER A 130 3.768 -3.421 5.372 1.00 78.63 C ATOM 1925 OG SER A 130 2.727 -3.274 5.685 1.00115.77 O ATOM 1926 HA SER A 130 3.558 -5.482 5.980 1.00 0.00 H ATOM 1927 HB2 SER A 130 3.968 -2.864 4.457 1.00 0.00 H ATOM 1928 HB3 SER A 130 4.448 -3.086 6.155 1.00 0.00 H ATOM 1929 HG SER A 130 2.121 -3.588 4.968 1.00 0.00 H ATOM 1930 H SER A 130 6.035 -4.495 4.795 1.00 0.00 H ATOM 1931 N THR A 131 3.788 -5.570 2.775 1.00 81.21 N ATOM 1932 CA THR A 131 3.108 -5.925 1.525 1.00 84.66 C ATOM 1933 C THR A 131 3.085 -7.435 1.253 1.00 86.30 C ATOM 1934 O THR A 131 3.365 -7.881 0.135 1.00 85.79 O ATOM 1935 CB THR A 131 3.715 -5.157 0.320 1.00 83.11 C ATOM 1936 OG1 THR A 131 5.144 -5.142 0.422 1.00 79.58 O ATOM 1937 CG2 THR A 131 3.338 -3.681 0.368 1.00 84.29 C ATOM 1938 HA THR A 131 2.069 -5.619 1.650 1.00 0.00 H ATOM 1939 HB THR A 131 3.348 -5.652 -0.579 1.00 0.00 H ATOM 1940 HG1 THR A 131 5.409 -4.693 1.263 1.00 0.00 H ATOM 1941 HG23 THR A 131 2.255 -3.581 0.296 1.00 0.00 H ATOM 1942 HG21 THR A 131 3.682 -3.250 1.308 1.00 0.00 H ATOM 1943 HG22 THR A 131 3.808 -3.160 -0.466 1.00 0.00 H ATOM 1944 H THR A 131 4.824 -5.482 2.778 1.00 0.00 H ATOM 1945 N LEU A 132 2.746 -8.211 2.280 1.00 89.03 N ATOM 1946 CA LEU A 132 2.578 -9.661 2.151 1.00 91.79 C ATOM 1947 C LEU A 132 1.579 -10.200 3.172 1.00 96.07 C ATOM 1948 O LEU A 132 1.550 -9.759 4.322 1.00 96.79 O ATOM 1949 CB LEU A 132 3.920 -10.396 2.273 1.00 89.17 C ATOM 1950 CG LEU A 132 4.843 -10.081 3.454 1.00 86.99 C ATOM 1951 CD1 LEU A 132 4.773 -11.180 4.504 1.00 88.48 C ATOM 1952 CD2 LEU A 132 6.273 -9.875 2.974 1.00 83.05 C ATOM 1953 HA LEU A 132 2.179 -9.849 1.154 1.00 0.00 H ATOM 1954 HB2 LEU A 132 3.696 -11.462 2.320 1.00 0.00 H ATOM 1955 HB3 LEU A 132 4.483 -10.184 1.364 1.00 0.00 H ATOM 1956 HG LEU A 132 4.503 -9.155 3.917 1.00 0.00 H ATOM 1957 HD21 LEU A 132 6.624 -10.782 2.482 1.00 0.00 H ATOM 1958 HD22 LEU A 132 6.302 -9.044 2.270 1.00 0.00 H ATOM 1959 HD23 LEU A 132 6.913 -9.652 3.828 1.00 0.00 H ATOM 1960 HD11 LEU A 132 3.750 -11.266 4.870 1.00 0.00 H ATOM 1961 HD12 LEU A 132 5.082 -12.126 4.059 1.00 0.00 H ATOM 1962 HD13 LEU A 132 5.437 -10.933 5.332 1.00 0.00 H ATOM 1963 H LEU A 132 2.594 -7.771 3.210 1.00 0.00 H TER 1964 LEU A 132 HETATM 1965 O45 FRH A 1 32.968 9.661 -1.913 1.00 -0.39 O HETATM 1966 C26 FRH A 1 31.885 9.975 -1.440 1.00 0.22 C HETATM 1967 C25 FRH A 1 30.621 9.741 -2.219 1.00 0.16 C HETATM 1968 C32 FRH A 1 30.559 10.621 -3.465 1.00 0.00 C HETATM 1969 C36 FRH A 1 29.883 11.967 -3.219 1.00 -0.04 C HETATM 1970 C38 FRH A 1 28.368 11.841 -3.105 1.00 -0.06 C HETATM 1971 H5 FRH A 1 27.930 12.834 -2.929 1.00 0.02 H HETATM 1972 H6 FRH A 1 28.117 11.176 -2.266 1.00 0.02 H HETATM 1973 H7 FRH A 1 27.964 11.422 -4.038 1.00 0.02 H HETATM 1974 C37 FRH A 1 30.246 12.952 -4.323 1.00 -0.06 C HETATM 1975 H8 FRH A 1 31.340 13.034 -4.396 1.00 0.02 H HETATM 1976 H9 FRH A 1 29.819 13.938 -4.089 1.00 0.02 H HETATM 1977 H10 FRH A 1 29.841 12.595 -5.281 1.00 0.02 H HETATM 1978 H4 FRH A 1 30.261 12.364 -2.265 1.00 0.03 H HETATM 1979 H2 FRH A 1 29.997 10.085 -4.244 1.00 0.03 H HETATM 1980 H3 FRH A 1 31.586 10.805 -3.815 1.00 0.03 H HETATM 1981 N5 FRH A 1 30.514 8.350 -2.609 1.00 -0.25 N HETATM 1982 C17 FRH A 1 29.382 7.664 -2.507 1.00 0.29 C HETATM 1983 N4 FRH A 1 28.653 7.726 -1.393 1.00 -0.28 N HETATM 1984 H12 FRH A 1 27.776 7.191 -1.321 1.00 0.26 H HETATM 1985 H13 FRH A 1 28.967 8.309 -0.604 1.00 0.26 H HETATM 1986 N1 FRH A 1 28.984 6.908 -3.528 1.00 -0.28 N HETATM 1987 H14 FRH A 1 29.550 6.863 -4.387 1.00 0.26 H HETATM 1988 H15 FRH A 1 28.110 6.368 -3.459 1.00 0.26 H HETATM 1989 H11 FRH A 1 31.349 7.875 -2.980 1.00 0.27 H HETATM 1990 H1 FRH A 1 29.767 9.992 -1.573 1.00 0.10 H HETATM 1991 N2 FRH A 1 31.732 10.524 -0.233 1.00 -0.27 N HETATM 1992 C28 FRH A 1 32.747 10.486 0.808 1.00 0.12 C HETATM 1993 C14 FRH A 1 32.695 11.726 1.675 1.00 0.20 C HETATM 1994 O44 FRH A 1 31.650 12.356 1.740 1.00 -0.39 O HETATM 1995 N6 FRH A 1 33.802 12.099 2.336 1.00 -0.27 N HETATM 1996 C22 FRH A 1 33.844 13.352 3.099 1.00 0.04 C HETATM 1997 C15 FRH A 1 34.167 12.997 4.552 1.00 -0.02 C HETATM 1998 C19 FRH A 1 35.497 12.248 4.622 1.00 0.02 C HETATM 1999 C27 FRH A 1 35.377 10.976 3.783 1.00 -0.02 C HETATM 2000 C29 FRH A 1 35.041 11.314 2.330 1.00 0.04 C HETATM 2001 H26 FRH A 1 35.856 11.902 1.883 1.00 0.05 H HETATM 2002 H27 FRH A 1 34.897 10.389 1.753 1.00 0.05 H HETATM 2003 H24 FRH A 1 34.580 10.343 4.200 1.00 0.03 H HETATM 2004 H25 FRH A 1 36.332 10.431 3.815 1.00 0.03 H HETATM 2005 C23 FRH A 1 35.903 11.919 6.040 1.00 0.07 C HETATM 2006 C11 FRH A 1 35.261 11.804 7.129 1.00 -0.05 C HETATM 2007 C13 FRH A 1 36.020 11.488 8.102 1.00 0.02 C HETATM 2008 N7 FRH A 1 37.234 11.232 7.619 1.00 -0.23 N HETATM 2009 N3 FRH A 1 37.157 11.668 6.395 1.00 -0.21 N HETATM 2010 C34 FRH A 1 38.383 11.828 5.623 1.00 0.06 C HETATM 2011 H29 FRH A 1 39.244 11.522 6.235 1.00 0.06 H HETATM 2012 H30 FRH A 1 38.497 12.882 5.330 1.00 0.06 H HETATM 2013 H31 FRH A 1 38.333 11.200 4.721 1.00 0.06 H HETATM 2014 C24 FRH A 1 35.784 11.379 9.585 1.00 -0.01 C HETATM 2015 C10 FRH A 1 36.753 11.885 10.452 1.00 -0.06 C HETATM 2016 C33 FRH A 1 36.580 11.801 11.831 1.00 -0.03 C HETATM 2017 C30 FRH A 1 35.432 11.201 12.349 1.00 0.11 C HETATM 2018 C16 FRH A 1 34.469 10.699 11.485 1.00 0.08 C HETATM 2019 C21 FRH A 1 34.640 10.781 10.110 1.00 0.05 C HETATM 2020 CL8 FRH A 1 33.363 10.110 9.043 1.00 -0.07 CL HETATM 2021 CL9 FRH A 1 32.991 9.931 12.157 1.00 -0.08 CL HETATM 2022 O43 FRH A 1 35.231 11.105 13.704 1.00 -0.30 O HETATM 2023 C35 FRH A 1 36.290 10.801 14.613 1.00 0.14 C HETATM 2024 C18 FRH A 1 36.356 11.900 15.646 1.00 0.13 C HETATM 2025 C39 FRH A 1 36.762 11.796 16.838 1.00 -0.06 C HETATM 2026 C12 FRH A 1 36.386 12.772 17.561 1.00 -0.06 C HETATM 2027 C31 FRH A 1 35.868 13.758 16.807 1.00 0.14 C HETATM 2028 O42 FRH A 1 35.950 13.272 15.455 1.00 -0.25 O HETATM 2029 C20 FRH A 1 35.322 15.040 17.249 1.00 0.08 C HETATM 2030 O40 FRH A 1 34.610 15.692 16.454 1.00 -0.56 O HETATM 2031 O41 FRH A 1 35.577 15.455 18.402 1.00 -0.56 O HETATM 2032 H37 FRH A 1 36.472 12.805 18.646 1.00 0.04 H HETATM 2033 H36 FRH A 1 37.365 10.966 17.204 1.00 0.02 H HETATM 2034 H34 FRH A 1 37.244 10.745 14.068 1.00 0.08 H HETATM 2035 H35 FRH A 1 36.092 9.838 15.106 1.00 0.08 H HETATM 2036 H33 FRH A 1 37.334 12.200 12.499 1.00 0.05 H HETATM 2037 H32 FRH A 1 37.647 12.347 10.049 1.00 0.06 H HETATM 2038 H28 FRH A 1 34.187 11.958 7.221 1.00 0.02 H HETATM 2039 H23 FRH A 1 36.279 12.887 4.186 1.00 0.05 H HETATM 2040 H21 FRH A 1 33.368 12.359 4.958 1.00 0.03 H HETATM 2041 H22 FRH A 1 34.237 13.920 5.146 1.00 0.03 H HETATM 2042 H19 FRH A 1 32.869 13.858 3.044 1.00 0.05 H HETATM 2043 H20 FRH A 1 34.623 14.013 2.692 1.00 0.05 H HETATM 2044 H17 FRH A 1 33.739 10.419 0.338 1.00 0.08 H HETATM 2045 H18 FRH A 1 32.580 9.601 1.439 1.00 0.08 H HETATM 2046 H16 FRH A 1 30.869 10.989 -0.033 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 877 876 1523 CONECT 1129 1130 1148 1149 1150 CONECT 1148 1129 CONECT 1149 1129 CONECT 1150 1129 CONECT 1152 1153 1160 1161 1162 CONECT 1160 1152 CONECT 1161 1152 CONECT 1162 1152 CONECT 1436 1437 1450 1451 1452 CONECT 1450 1436 CONECT 1451 1436 CONECT 1452 1436 CONECT 1523 877 1522 CONECT 1965 1966 CONECT 1966 1965 1967 1991 CONECT 1967 1966 1968 1981 1990 CONECT 1968 1967 1969 1979 1980 CONECT 1969 1968 1970 1974 1978 CONECT 1970 1969 1971 1972 1973 CONECT 1971 1970 CONECT 1972 1970 CONECT 1973 1970 CONECT 1974 1969 1975 1976 1977 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1974 CONECT 1978 1969 CONECT 1979 1968 CONECT 1980 1968 CONECT 1981 1967 1982 1989 CONECT 1982 1981 1983 1986 CONECT 1983 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1982 1987 1988 CONECT 1987 1986 CONECT 1988 1986 CONECT 1989 1981 CONECT 1990 1967 CONECT 1991 1966 1992 2046 CONECT 1992 1991 1993 2044 2045 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 2000 CONECT 1996 1995 1997 2042 2043 CONECT 1997 1996 1998 2040 2041 CONECT 1998 1997 1999 2005 2039 CONECT 1999 1998 2000 2003 2004 CONECT 2000 1995 1999 2001 2002 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 1999 CONECT 2004 1999 CONECT 2005 1998 2006 2009 CONECT 2006 2005 2007 2038 CONECT 2007 2006 2008 2014 CONECT 2008 2007 2009 CONECT 2009 2005 2008 2010 CONECT 2010 2009 2011 2012 2013 CONECT 2011 2010 CONECT 2012 2010 CONECT 2013 2010 CONECT 2014 2007 2015 2019 CONECT 2015 2014 2016 2037 CONECT 2016 2015 2017 2036 CONECT 2017 2016 2018 2022 CONECT 2018 2017 2019 2021 CONECT 2019 2014 2018 2020 CONECT 2020 2019 CONECT 2021 2018 CONECT 2022 2017 2023 CONECT 2023 2022 2024 2034 2035 CONECT 2024 2023 2025 2028 CONECT 2025 2024 2026 2033 CONECT 2026 2025 2027 2032 CONECT 2027 2026 2028 2029 CONECT 2028 2024 2027 CONECT 2029 2027 2030 2031 CONECT 2030 2029 CONECT 2031 2029 CONECT 2032 2026 CONECT 2033 2025 CONECT 2034 2023 CONECT 2035 2023 CONECT 2036 2016 CONECT 2037 2015 CONECT 2038 2006 CONECT 2039 1998 CONECT 2040 1997 CONECT 2041 1997 CONECT 2042 1996 CONECT 2043 1996 CONECT 2044 1992 CONECT 2045 1992 CONECT 2046 1991 MASTER 0 0 0 0 0 0 0 0 2041 5 100 12 END
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Structure:
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Related entries of code: 1py2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1m48
RCSB PDB
PDBbind
133aa, >1M48_1|Chains... at 96%
1pw6
RCSB PDB
PDBbind
133aa, >1PW6_1|Chains... at 96%
1z92
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PDBbind
133aa, >1Z92_1|Chain... at 96%
2b5i
RCSB PDB
PDBbind
133aa, >2B5I_1|Chain... at 96%
2erj
RCSB PDB
PDBbind
133aa, >2ERJ_4|Chains... at 96%
5lqb
RCSB PDB
PDBbind
132aa, >5LQB_1|Chain... at 96%
5m5e
RCSB PDB
PDBbind
160aa, >5M5E_3|Chain... *
5utz
RCSB PDB
PDBbind
133aa, >5UTZ_3|Chains... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1py2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
interleukin-2
Ligand Name
FRH
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.06uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc. v125 pp. 15280-1, 2003
Ligand Properties
Formula
C
3
0
H
3
8
Cl
2
N
7
O
6
Molecular Weight
663.572
Exact Mass
662.226
No. of atoms
83
No. of bonds
86
Polar Surface Area
192.91
LOGP Value
6.26 (
Computed with XLOGP3
)
3.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
CC(C[C@H](C(=O)NCC(=O)N1CC[C@H](CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)[NH+]=C(N)N)C
InChI String
InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/p+1/t21-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P60568
Entrez Gene ID
NCBI Entrez Gene ID:
3558
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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