Browse entries in the PDBbind-CN Database
HEADER 1M48_COMPLEX COMPND 1M48_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 71 SER SER SER THR LYS LYS THR GLN LEU GLN LEU GLU HIS SEQRES 2 A 71 LEU LEU LEU ASP LEU GLN MET ILE LEU ASN GLY ILE ASN SEQRES 3 A 71 ASN TYR LYS ASN PRO LYS LEU THR ARG MET LEU THR PHE SEQRES 4 A 71 LYS PHE TYR MET PRO LYS LYS ALA THR GLU LEU LYS HIS SEQRES 5 A 71 LEU GLN CYS LEU GLU GLU GLU LEU LYS PRO LEU GLU GLU SEQRES 6 A 71 VAL LEU ASN LEU ALA GLN SEQRES 1 A 52 ARG PRO ARG ASP LEU ILE SER ASN ILE ASN VAL ILE VAL SEQRES 2 A 52 LEU GLU LEU LYS GLY SER GLU THR THR PHE MET CYS GLU SEQRES 3 A 52 TYR ALA ASP GLU THR ALA THR ILE VAL GLU PHE LEU ASN SEQRES 4 A 52 ARG TRP ILE THR PHE CYS GLN SER ILE ILE SER THR LEU HET FRG A 237 64 SSBOND 1 CYS A 58 CYS A 105 ATOM 1 N SER A 4 22.646 9.384 29.750 1.00 78.85 N ATOM 2 CA SER A 4 21.314 9.180 30.387 1.00 78.21 C ATOM 3 C SER A 4 20.460 8.226 29.562 1.00 77.37 C ATOM 4 O SER A 4 20.913 7.677 28.557 1.00 77.68 O ATOM 5 CB SER A 4 20.587 10.517 30.573 1.00 77.42 C ATOM 6 OG SER A 4 20.304 11.126 29.328 1.00 76.01 O ATOM 7 HA SER A 4 21.478 8.737 31.369 1.00 0.00 H ATOM 8 HB2 SER A 4 21.217 11.185 31.160 1.00 0.00 H ATOM 9 HB3 SER A 4 19.651 10.342 31.104 1.00 0.00 H ATOM 10 HG SER A 4 19.836 11.985 29.481 1.00 0.00 H ATOM 11 HN3 SER A 4 22.516 9.786 28.800 1.00 0.00 H ATOM 12 HN2 SER A 4 23.138 8.470 29.677 1.00 0.00 H ATOM 13 HN1 SER A 4 23.210 10.038 30.330 1.00 0.00 H ATOM 14 N SER A 5 19.222 8.029 29.997 1.00 76.51 N ATOM 15 CA SER A 5 18.303 7.143 29.298 1.00 73.42 C ATOM 16 C SER A 5 17.211 7.958 28.599 1.00 69.61 C ATOM 17 O SER A 5 16.335 7.406 27.929 1.00 68.22 O ATOM 18 CB SER A 5 17.701 6.124 30.263 1.00 73.56 C ATOM 19 OG SER A 5 17.389 4.922 29.584 1.00 74.96 O ATOM 20 HA SER A 5 18.856 6.593 28.536 1.00 0.00 H ATOM 21 HB2 SER A 5 16.791 6.537 30.699 1.00 0.00 H ATOM 22 HB3 SER A 5 18.419 5.913 31.056 1.00 0.00 H ATOM 23 HG SER A 5 18.214 4.543 29.189 1.00 0.00 H ATOM 24 H SER A 5 18.901 8.519 30.857 1.00 0.00 H ATOM 25 N SER A 6 17.282 9.276 28.763 1.00 64.57 N ATOM 26 CA SER A 6 16.350 10.190 28.124 1.00 60.81 C ATOM 27 C SER A 6 16.895 10.482 26.729 1.00 56.91 C ATOM 28 O SER A 6 16.146 10.653 25.761 1.00 54.30 O ATOM 29 CB SER A 6 16.231 11.480 28.938 1.00 61.33 C ATOM 30 OG SER A 6 15.032 12.176 28.632 1.00 62.10 O ATOM 31 HA SER A 6 15.354 9.751 28.062 1.00 0.00 H ATOM 32 HB2 SER A 6 17.082 12.122 28.712 1.00 0.00 H ATOM 33 HB3 SER A 6 16.237 11.232 29.999 1.00 0.00 H ATOM 34 HG SER A 6 14.985 13.004 29.173 1.00 0.00 H ATOM 35 H SER A 6 18.031 9.666 29.370 1.00 0.00 H ATOM 36 N THR A 7 18.218 10.520 26.641 1.00 50.76 N ATOM 37 CA THR A 7 18.897 10.743 25.378 1.00 45.06 C ATOM 38 C THR A 7 18.816 9.488 24.516 1.00 36.79 C ATOM 39 O THR A 7 18.699 9.571 23.299 1.00 32.56 O ATOM 40 CB THR A 7 20.342 11.190 25.640 1.00 43.56 C ATOM 41 OG1 THR A 7 20.350 12.613 25.818 1.00 43.68 O ATOM 42 CG2 THR A 7 21.235 10.956 24.424 1.00 40.29 C ATOM 43 HA THR A 7 18.407 11.543 24.823 1.00 0.00 H ATOM 44 HB THR A 7 20.701 10.629 26.503 1.00 0.00 H ATOM 45 HG1 THR A 7 21.276 12.918 25.988 1.00 0.00 H ATOM 46 HG23 THR A 7 21.287 9.888 24.213 1.00 0.00 H ATOM 47 HG21 THR A 7 20.818 11.478 23.563 1.00 0.00 H ATOM 48 HG22 THR A 7 22.235 11.336 24.631 1.00 0.00 H ATOM 49 H THR A 7 18.785 10.386 27.502 1.00 0.00 H ATOM 50 N LYS A 8 18.856 8.323 25.151 1.00 34.33 N ATOM 51 CA LYS A 8 18.712 7.079 24.416 1.00 32.92 C ATOM 52 C LYS A 8 17.276 6.986 23.887 1.00 30.82 C ATOM 53 O LYS A 8 17.041 6.440 22.812 1.00 23.38 O ATOM 54 CB LYS A 8 19.074 5.875 25.294 1.00 35.23 C ATOM 55 CG LYS A 8 18.686 4.515 24.719 1.00 41.03 C ATOM 56 CD LYS A 8 19.472 4.158 23.463 1.00 46.59 C ATOM 57 CE LYS A 8 20.961 4.041 23.742 1.00 48.61 C ATOM 58 NZ LYS A 8 21.741 3.934 22.474 1.00 51.24 N ATOM 59 HA LYS A 8 19.403 7.066 23.573 1.00 0.00 H ATOM 60 HB2 LYS A 8 20.153 5.881 25.448 1.00 0.00 H ATOM 61 HB3 LYS A 8 18.570 5.993 26.253 1.00 0.00 H ATOM 62 HG2 LYS A 8 18.871 3.752 25.475 1.00 0.00 H ATOM 63 HG3 LYS A 8 17.624 4.531 24.473 1.00 0.00 H ATOM 64 HD2 LYS A 8 19.109 3.205 23.079 1.00 0.00 H ATOM 65 HD3 LYS A 8 19.313 4.934 22.715 1.00 0.00 H ATOM 66 HE2 LYS A 8 21.141 3.152 24.347 1.00 0.00 H ATOM 67 HE3 LYS A 8 21.291 4.924 24.289 1.00 0.00 H ATOM 68 HZ1 LYS A 8 21.434 3.090 21.950 1.00 0.00 H ATOM 69 HZ2 LYS A 8 21.577 4.782 21.895 1.00 0.00 H ATOM 70 HZ3 LYS A 8 22.754 3.855 22.697 1.00 0.00 H ATOM 71 H LYS A 8 18.991 8.301 26.182 1.00 0.00 H ATOM 72 N LYS A 9 16.319 7.535 24.632 1.00 28.59 N ATOM 73 CA LYS A 9 14.927 7.527 24.179 1.00 30.48 C ATOM 74 C LYS A 9 14.813 8.337 22.894 1.00 28.58 C ATOM 75 O LYS A 9 14.151 7.939 21.938 1.00 24.24 O ATOM 76 CB LYS A 9 14.007 8.110 25.246 1.00 32.32 C ATOM 77 CG LYS A 9 12.540 8.127 24.874 1.00 40.21 C ATOM 78 CD LYS A 9 11.738 8.726 26.031 1.00 46.70 C ATOM 79 CE LYS A 9 10.350 9.167 25.621 1.00 50.60 C ATOM 80 NZ LYS A 9 9.794 10.139 26.618 1.00 55.52 N ATOM 81 HA LYS A 9 14.622 6.497 23.993 1.00 0.00 H ATOM 82 HB2 LYS A 9 14.121 7.517 26.154 1.00 0.00 H ATOM 83 HB3 LYS A 9 14.320 9.136 25.442 1.00 0.00 H ATOM 84 HG2 LYS A 9 12.397 8.732 23.979 1.00 0.00 H ATOM 85 HG3 LYS A 9 12.200 7.109 24.682 1.00 0.00 H ATOM 86 HD2 LYS A 9 11.647 7.976 26.816 1.00 0.00 H ATOM 87 HD3 LYS A 9 12.278 9.591 26.417 1.00 0.00 H ATOM 88 HE2 LYS A 9 9.698 8.296 25.566 1.00 0.00 H ATOM 89 HE3 LYS A 9 10.399 9.645 24.642 1.00 0.00 H ATOM 90 HZ1 LYS A 9 9.743 9.685 27.552 1.00 0.00 H ATOM 91 HZ2 LYS A 9 10.413 10.973 26.670 1.00 0.00 H ATOM 92 HZ3 LYS A 9 8.841 10.431 26.321 1.00 0.00 H ATOM 93 H LYS A 9 16.562 7.973 25.543 1.00 0.00 H ATOM 94 N THR A 10 15.496 9.467 22.876 1.00 29.31 N ATOM 95 CA THR A 10 15.488 10.352 21.724 1.00 28.20 C ATOM 96 C THR A 10 16.152 9.720 20.504 1.00 25.26 C ATOM 97 O THR A 10 15.639 9.829 19.381 1.00 21.20 O ATOM 98 CB THR A 10 16.139 11.681 22.120 1.00 28.46 C ATOM 99 OG1 THR A 10 15.213 12.420 22.928 1.00 24.47 O ATOM 100 CG2 THR A 10 16.370 12.574 20.910 1.00 22.31 C ATOM 101 HA THR A 10 14.457 10.538 21.424 1.00 0.00 H ATOM 102 HB THR A 10 17.077 11.441 22.621 1.00 0.00 H ATOM 103 HG1 THR A 10 15.622 13.282 23.191 1.00 0.00 H ATOM 104 HG23 THR A 10 17.070 12.089 20.230 1.00 0.00 H ATOM 105 HG21 THR A 10 15.422 12.743 20.398 1.00 0.00 H ATOM 106 HG22 THR A 10 16.782 13.528 21.238 1.00 0.00 H ATOM 107 H THR A 10 16.056 9.731 23.711 1.00 0.00 H ATOM 108 N GLN A 11 17.275 9.040 20.734 1.00 24.82 N ATOM 109 CA GLN A 11 17.962 8.294 19.683 1.00 24.52 C ATOM 110 C GLN A 11 17.047 7.248 19.031 1.00 19.36 C ATOM 111 O GLN A 11 16.964 7.165 17.809 1.00 17.19 O ATOM 112 CB GLN A 11 19.210 7.605 20.253 1.00 22.02 C ATOM 113 CG GLN A 11 19.973 6.764 19.233 1.00 31.59 C ATOM 114 CD GLN A 11 21.071 5.881 19.836 1.00 33.67 C ATOM 115 OE1 GLN A 11 21.612 6.173 20.904 1.00 36.50 O ATOM 116 NE2 GLN A 11 21.402 4.802 19.137 1.00 30.33 N ATOM 117 HA GLN A 11 18.255 9.009 18.914 1.00 0.00 H ATOM 118 HB2 GLN A 11 19.882 8.373 20.636 1.00 0.00 H ATOM 119 HB3 GLN A 11 18.900 6.955 21.071 1.00 0.00 H ATOM 120 HG2 GLN A 11 19.259 6.119 18.720 1.00 0.00 H ATOM 121 HG3 GLN A 11 20.435 7.438 18.512 1.00 0.00 H ATOM 122 HE22 GLN A 11 20.918 4.595 18.240 1.00 0.00 H ATOM 123 HE21 GLN A 11 22.145 4.164 19.486 1.00 0.00 H ATOM 124 H GLN A 11 17.675 9.041 21.694 1.00 0.00 H ATOM 125 N LEU A 12 16.368 6.444 19.854 1.00 20.23 N ATOM 126 CA LEU A 12 15.508 5.382 19.343 1.00 21.90 C ATOM 127 C LEU A 12 14.337 5.945 18.551 1.00 20.00 C ATOM 128 O LEU A 12 13.943 5.374 17.530 1.00 18.20 O ATOM 129 CB LEU A 12 15.025 4.428 20.463 1.00 14.16 C ATOM 130 CG LEU A 12 16.161 3.830 21.330 1.00 17.74 C ATOM 131 CD1 LEU A 12 15.593 2.971 22.462 1.00 22.52 C ATOM 132 CD2 LEU A 12 17.123 3.001 20.525 1.00 19.77 C ATOM 133 HA LEU A 12 16.115 4.787 18.660 1.00 0.00 H ATOM 134 HB2 LEU A 12 14.353 4.983 21.117 1.00 0.00 H ATOM 135 HB3 LEU A 12 14.481 3.605 19.999 1.00 0.00 H ATOM 136 HG LEU A 12 16.704 4.679 21.745 1.00 0.00 H ATOM 137 HD21 LEU A 12 16.586 2.175 20.058 1.00 0.00 H ATOM 138 HD22 LEU A 12 17.579 3.622 19.754 1.00 0.00 H ATOM 139 HD23 LEU A 12 17.898 2.606 21.182 1.00 0.00 H ATOM 140 HD11 LEU A 12 14.954 3.585 23.097 1.00 0.00 H ATOM 141 HD12 LEU A 12 15.009 2.154 22.038 1.00 0.00 H ATOM 142 HD13 LEU A 12 16.413 2.564 23.054 1.00 0.00 H ATOM 143 H LEU A 12 16.454 6.578 20.882 1.00 0.00 H ATOM 144 N GLN A 13 13.804 7.074 19.006 1.00 20.65 N ATOM 145 CA GLN A 13 12.678 7.698 18.309 1.00 19.78 C ATOM 146 C GLN A 13 13.123 8.202 16.929 1.00 18.13 C ATOM 147 O GLN A 13 12.426 8.028 15.927 1.00 16.27 O ATOM 148 CB GLN A 13 12.093 8.817 19.160 1.00 17.42 C ATOM 149 CG GLN A 13 11.431 8.286 20.426 1.00 17.87 C ATOM 150 CD GLN A 13 10.966 9.393 21.368 1.00 23.76 C ATOM 151 OE1 GLN A 13 11.520 10.474 21.363 1.00 22.32 O ATOM 152 NE2 GLN A 13 9.968 9.096 22.194 1.00 20.42 N ATOM 153 HA GLN A 13 11.894 6.958 18.151 1.00 0.00 H ATOM 154 HB2 GLN A 13 12.894 9.501 19.442 1.00 0.00 H ATOM 155 HB3 GLN A 13 11.349 9.354 18.572 1.00 0.00 H ATOM 156 HG2 GLN A 13 10.566 7.687 20.141 1.00 0.00 H ATOM 157 HG3 GLN A 13 12.148 7.658 20.955 1.00 0.00 H ATOM 158 HE22 GLN A 13 9.526 8.155 22.159 1.00 0.00 H ATOM 159 HE21 GLN A 13 9.629 9.805 22.876 1.00 0.00 H ATOM 160 H GLN A 13 14.190 7.518 19.864 1.00 0.00 H ATOM 161 N LEU A 14 14.298 8.804 16.882 1.00 19.04 N ATOM 162 CA LEU A 14 14.875 9.237 15.612 1.00 20.77 C ATOM 163 C LEU A 14 15.118 8.042 14.676 1.00 21.27 C ATOM 164 O LEU A 14 14.869 8.128 13.474 1.00 22.42 O ATOM 165 CB LEU A 14 16.177 9.985 15.855 1.00 15.34 C ATOM 166 CG LEU A 14 16.033 11.417 16.333 1.00 19.60 C ATOM 167 CD1 LEU A 14 17.347 11.868 16.966 1.00 21.12 C ATOM 168 CD2 LEU A 14 15.626 12.301 15.132 1.00 17.81 C ATOM 169 HA LEU A 14 14.163 9.906 15.129 1.00 0.00 H ATOM 170 HB2 LEU A 14 16.744 9.436 16.607 1.00 0.00 H ATOM 171 HB3 LEU A 14 16.736 9.999 14.919 1.00 0.00 H ATOM 172 HG LEU A 14 15.256 11.503 17.093 1.00 0.00 H ATOM 173 HD21 LEU A 14 16.395 12.242 14.362 1.00 0.00 H ATOM 174 HD22 LEU A 14 14.678 11.948 14.727 1.00 0.00 H ATOM 175 HD23 LEU A 14 15.519 13.334 15.463 1.00 0.00 H ATOM 176 HD11 LEU A 14 17.583 11.221 17.811 1.00 0.00 H ATOM 177 HD12 LEU A 14 18.145 11.807 16.226 1.00 0.00 H ATOM 178 HD13 LEU A 14 17.248 12.897 17.311 1.00 0.00 H ATOM 179 H LEU A 14 14.821 8.973 17.765 1.00 0.00 H ATOM 180 N GLU A 15 15.599 6.929 15.239 1.00 20.04 N ATOM 181 CA GLU A 15 15.845 5.719 14.465 1.00 22.47 C ATOM 182 C GLU A 15 14.515 5.159 13.983 1.00 17.39 C ATOM 183 O GLU A 15 14.425 4.634 12.892 1.00 17.46 O ATOM 184 CB GLU A 15 16.586 4.674 15.288 1.00 21.55 C ATOM 185 CG GLU A 15 18.073 4.903 15.472 1.00 30.33 C ATOM 186 CD GLU A 15 18.695 3.836 16.369 1.00 35.89 C ATOM 187 OE1 GLU A 15 18.704 2.648 15.979 1.00 38.40 O ATOM 188 OE2 GLU A 15 19.144 4.172 17.480 1.00 37.93 O ATOM 189 HA GLU A 15 16.474 5.972 13.612 1.00 0.00 H ATOM 190 HB2 GLU A 15 16.129 4.643 16.277 1.00 0.00 H ATOM 191 HB3 GLU A 15 16.455 3.709 14.798 1.00 0.00 H ATOM 192 HG2 GLU A 15 18.560 4.875 14.497 1.00 0.00 H ATOM 193 HG3 GLU A 15 18.228 5.882 15.926 1.00 0.00 H ATOM 194 H GLU A 15 15.804 6.927 16.259 1.00 0.00 H ATOM 195 N HIS A 16 13.475 5.303 14.801 1.00 19.46 N ATOM 196 CA HIS A 16 12.147 4.823 14.419 1.00 17.16 C ATOM 197 C HIS A 16 11.680 5.632 13.198 1.00 19.13 C ATOM 198 O HIS A 16 11.254 5.061 12.210 1.00 16.70 O ATOM 199 CB HIS A 16 11.167 4.922 15.609 1.00 16.34 C ATOM 200 CG HIS A 16 9.817 4.319 15.356 1.00 24.64 C ATOM 201 ND1 HIS A 16 9.070 4.592 14.233 1.00 26.77 N ATOM 202 CD2 HIS A 16 9.069 3.472 16.102 1.00 27.70 C ATOM 203 CE1 HIS A 16 7.928 3.926 14.284 1.00 23.52 C ATOM 204 NE2 HIS A 16 7.898 3.248 15.414 1.00 29.88 N ATOM 205 HA HIS A 16 12.182 3.768 14.147 1.00 0.00 H ATOM 206 HB2 HIS A 16 11.614 4.411 16.462 1.00 0.00 H ATOM 207 HB3 HIS A 16 11.029 5.976 15.850 1.00 0.00 H ATOM 208 HD2 HIS A 16 9.343 3.047 17.067 1.00 0.00 H ATOM 209 HE1 HIS A 16 7.147 3.936 13.523 1.00 0.00 H ATOM 210 H HIS A 16 13.608 5.763 15.724 1.00 0.00 H ATOM 211 N LEU A 17 11.792 6.955 13.274 1.00 20.82 N ATOM 212 CA LEU A 17 11.382 7.846 12.184 1.00 17.85 C ATOM 213 C LEU A 17 12.193 7.573 10.916 1.00 14.97 C ATOM 214 O LEU A 17 11.641 7.468 9.830 1.00 16.95 O ATOM 215 CB LEU A 17 11.524 9.315 12.609 1.00 13.54 C ATOM 216 CG LEU A 17 11.302 10.369 11.519 1.00 15.28 C ATOM 217 CD1 LEU A 17 9.960 10.194 10.848 1.00 13.32 C ATOM 218 CD2 LEU A 17 11.439 11.782 12.063 1.00 16.73 C ATOM 219 HA LEU A 17 10.333 7.648 11.962 1.00 0.00 H ATOM 220 HB2 LEU A 17 10.800 9.502 13.402 1.00 0.00 H ATOM 221 HB3 LEU A 17 12.532 9.450 13.000 1.00 0.00 H ATOM 222 HG LEU A 17 12.082 10.219 10.773 1.00 0.00 H ATOM 223 HD21 LEU A 17 10.700 11.941 12.849 1.00 0.00 H ATOM 224 HD22 LEU A 17 12.440 11.917 12.471 1.00 0.00 H ATOM 225 HD23 LEU A 17 11.274 12.498 11.258 1.00 0.00 H ATOM 226 HD11 LEU A 17 9.910 9.206 10.390 1.00 0.00 H ATOM 227 HD12 LEU A 17 9.168 10.292 11.591 1.00 0.00 H ATOM 228 HD13 LEU A 17 9.836 10.958 10.081 1.00 0.00 H ATOM 229 H LEU A 17 12.186 7.374 14.141 1.00 0.00 H ATOM 230 N LEU A 18 13.506 7.454 11.073 1.00 16.42 N ATOM 231 CA LEU A 18 14.404 7.137 9.971 1.00 18.74 C ATOM 232 C LEU A 18 14.022 5.821 9.264 1.00 16.10 C ATOM 233 O LEU A 18 13.940 5.775 8.047 1.00 16.98 O ATOM 234 CB LEU A 18 15.831 7.019 10.515 1.00 17.14 C ATOM 235 CG LEU A 18 16.908 6.419 9.650 1.00 18.43 C ATOM 236 CD1 LEU A 18 17.135 7.318 8.434 1.00 15.92 C ATOM 237 CD2 LEU A 18 18.178 6.286 10.466 1.00 22.33 C ATOM 238 HA LEU A 18 14.328 7.939 9.236 1.00 0.00 H ATOM 239 HB2 LEU A 18 16.156 8.027 10.773 1.00 0.00 H ATOM 240 HB3 LEU A 18 15.777 6.413 11.420 1.00 0.00 H ATOM 241 HG LEU A 18 16.609 5.431 9.301 1.00 0.00 H ATOM 242 HD21 LEU A 18 18.490 7.271 10.813 1.00 0.00 H ATOM 243 HD22 LEU A 18 17.991 5.640 11.324 1.00 0.00 H ATOM 244 HD23 LEU A 18 18.963 5.852 9.846 1.00 0.00 H ATOM 245 HD11 LEU A 18 16.209 7.397 7.864 1.00 0.00 H ATOM 246 HD12 LEU A 18 17.443 8.309 8.769 1.00 0.00 H ATOM 247 HD13 LEU A 18 17.914 6.887 7.805 1.00 0.00 H ATOM 248 H LEU A 18 13.910 7.593 12.021 1.00 0.00 H ATOM 249 N LEU A 19 13.784 4.760 10.022 1.00 16.28 N ATOM 250 CA LEU A 19 13.432 3.484 9.410 1.00 15.72 C ATOM 251 C LEU A 19 12.110 3.577 8.635 1.00 17.00 C ATOM 252 O LEU A 19 11.976 3.058 7.528 1.00 17.95 O ATOM 253 CB LEU A 19 13.409 2.362 10.459 1.00 15.76 C ATOM 254 CG LEU A 19 14.814 1.853 10.795 1.00 20.15 C ATOM 255 CD1 LEU A 19 14.826 1.005 12.093 1.00 19.35 C ATOM 256 CD2 LEU A 19 15.361 1.062 9.586 1.00 16.95 C ATOM 257 HA LEU A 19 14.204 3.234 8.683 1.00 0.00 H ATOM 258 HB2 LEU A 19 12.946 2.742 11.370 1.00 0.00 H ATOM 259 HB3 LEU A 19 12.818 1.532 10.072 1.00 0.00 H ATOM 260 HG LEU A 19 15.465 2.705 10.988 1.00 0.00 H ATOM 261 HD21 LEU A 19 14.703 0.219 9.377 1.00 0.00 H ATOM 262 HD22 LEU A 19 15.403 1.716 8.715 1.00 0.00 H ATOM 263 HD23 LEU A 19 16.361 0.695 9.816 1.00 0.00 H ATOM 264 HD11 LEU A 19 14.474 1.613 12.926 1.00 0.00 H ATOM 265 HD12 LEU A 19 14.170 0.143 11.968 1.00 0.00 H ATOM 266 HD13 LEU A 19 15.842 0.665 12.294 1.00 0.00 H ATOM 267 H LEU A 19 13.849 4.838 11.057 1.00 0.00 H ATOM 268 N ASP A 20 11.148 4.264 9.220 1.00 20.25 N ATOM 269 CA ASP A 20 9.871 4.487 8.569 1.00 17.24 C ATOM 270 C ASP A 20 10.059 5.164 7.225 1.00 19.14 C ATOM 271 O ASP A 20 9.476 4.736 6.213 1.00 16.46 O ATOM 272 CB ASP A 20 8.998 5.365 9.453 1.00 20.65 C ATOM 273 CG ASP A 20 8.405 4.612 10.640 1.00 26.61 C ATOM 274 OD1 ASP A 20 8.523 3.361 10.716 1.00 28.90 O ATOM 275 OD2 ASP A 20 7.796 5.202 11.560 1.00 27.82 O ATOM 276 HA ASP A 20 9.393 3.521 8.409 1.00 0.00 H ATOM 277 HB2 ASP A 20 9.603 6.189 9.831 1.00 0.00 H ATOM 278 HB3 ASP A 20 8.181 5.763 8.850 1.00 0.00 H ATOM 279 H ASP A 20 11.309 4.655 10.170 1.00 0.00 H ATOM 280 N LEU A 21 10.851 6.237 7.213 1.00 15.14 N ATOM 281 CA LEU A 21 11.039 6.988 5.987 1.00 19.18 C ATOM 282 C LEU A 21 11.781 6.121 4.977 1.00 16.69 C ATOM 283 O LEU A 21 11.485 6.162 3.793 1.00 17.38 O ATOM 284 CB LEU A 21 11.780 8.307 6.232 1.00 18.40 C ATOM 285 CG LEU A 21 11.046 9.405 7.020 1.00 23.51 C ATOM 286 CD1 LEU A 21 11.999 10.464 7.518 1.00 22.84 C ATOM 287 CD2 LEU A 21 9.945 10.040 6.176 1.00 19.09 C ATOM 288 HA LEU A 21 10.060 7.252 5.588 1.00 0.00 H ATOM 289 HB2 LEU A 21 12.694 8.071 6.777 1.00 0.00 H ATOM 290 HB3 LEU A 21 12.037 8.722 5.257 1.00 0.00 H ATOM 291 HG LEU A 21 10.589 8.929 7.888 1.00 0.00 H ATOM 292 HD21 LEU A 21 10.384 10.484 5.283 1.00 0.00 H ATOM 293 HD22 LEU A 21 9.224 9.275 5.886 1.00 0.00 H ATOM 294 HD23 LEU A 21 9.443 10.813 6.758 1.00 0.00 H ATOM 295 HD11 LEU A 21 12.739 10.006 8.174 1.00 0.00 H ATOM 296 HD12 LEU A 21 12.502 10.927 6.669 1.00 0.00 H ATOM 297 HD13 LEU A 21 11.442 11.222 8.070 1.00 0.00 H ATOM 298 H LEU A 21 11.334 6.535 8.084 1.00 0.00 H ATOM 299 N GLN A 22 12.741 5.342 5.463 1.00 20.92 N ATOM 300 CA GLN A 22 13.533 4.437 4.613 1.00 20.97 C ATOM 301 C GLN A 22 12.694 3.325 4.002 1.00 21.18 C ATOM 302 O GLN A 22 12.920 2.926 2.861 1.00 19.23 O ATOM 303 CB GLN A 22 14.697 3.853 5.404 1.00 20.79 C ATOM 304 CG GLN A 22 15.897 4.812 5.461 1.00 21.26 C ATOM 305 CD GLN A 22 17.058 4.294 6.304 1.00 20.97 C ATOM 306 OE1 GLN A 22 18.206 4.702 6.102 1.00 23.45 O ATOM 307 NE2 GLN A 22 16.758 3.435 7.272 1.00 16.47 N ATOM 308 HA GLN A 22 13.920 5.032 3.786 1.00 0.00 H ATOM 309 HB2 GLN A 22 14.363 3.647 6.421 1.00 0.00 H ATOM 310 HB3 GLN A 22 15.012 2.923 4.931 1.00 0.00 H ATOM 311 HG2 GLN A 22 16.256 4.975 4.445 1.00 0.00 H ATOM 312 HG3 GLN A 22 15.561 5.759 5.883 1.00 0.00 H ATOM 313 HE22 GLN A 22 15.775 3.121 7.402 1.00 0.00 H ATOM 314 HE21 GLN A 22 17.506 3.077 7.900 1.00 0.00 H ATOM 315 H GLN A 22 12.941 5.372 6.483 1.00 0.00 H ATOM 316 N MET A 23 11.718 2.834 4.755 1.00 17.67 N ATOM 317 CA MET A 23 10.830 1.806 4.229 1.00 21.49 C ATOM 318 C MET A 23 9.988 2.387 3.104 1.00 20.62 C ATOM 319 O MET A 23 9.772 1.740 2.078 1.00 20.16 O ATOM 320 CB MET A 23 9.943 1.235 5.339 1.00 23.59 C ATOM 321 CG MET A 23 10.708 0.286 6.255 1.00 33.20 C ATOM 322 SD MET A 23 9.824 -0.166 7.752 1.00 36.84 S ATOM 323 CE MET A 23 10.246 -1.883 7.900 1.00 39.16 C ATOM 324 HA MET A 23 11.430 0.987 3.832 1.00 0.00 H ATOM 325 HB2 MET A 23 9.551 2.059 5.935 1.00 0.00 H ATOM 326 HB3 MET A 23 9.115 0.692 4.883 1.00 0.00 H ATOM 327 HG2 MET A 23 11.643 0.767 6.542 1.00 0.00 H ATOM 328 HG3 MET A 23 10.926 -0.625 5.698 1.00 0.00 H ATOM 329 HE1 MET A 23 9.901 -2.418 7.015 1.00 0.00 H ATOM 330 HE2 MET A 23 11.328 -1.984 7.989 1.00 0.00 H ATOM 331 HE3 MET A 23 9.767 -2.298 8.787 1.00 0.00 H ATOM 332 H MET A 23 11.586 3.185 5.725 1.00 0.00 H ATOM 333 N ILE A 24 9.504 3.606 3.295 1.00 16.29 N ATOM 334 CA ILE A 24 8.758 4.263 2.212 1.00 21.26 C ATOM 335 C ILE A 24 9.627 4.375 0.944 1.00 20.74 C ATOM 336 O ILE A 24 9.233 3.954 -0.153 1.00 23.21 O ATOM 337 CB ILE A 24 8.237 5.641 2.640 1.00 22.63 C ATOM 338 CG1 ILE A 24 7.208 5.485 3.758 1.00 22.94 C ATOM 339 CG2 ILE A 24 7.581 6.355 1.450 1.00 17.39 C ATOM 340 CD1 ILE A 24 6.873 6.783 4.449 1.00 22.84 C ATOM 341 HA ILE A 24 7.892 3.642 1.983 1.00 0.00 H ATOM 342 HB ILE A 24 9.080 6.233 2.997 1.00 0.00 H ATOM 343 HG12 ILE A 24 6.293 5.074 3.331 1.00 0.00 H ATOM 344 HG13 ILE A 24 7.605 4.791 4.499 1.00 0.00 H ATOM 345 HD11 ILE A 24 7.777 7.202 4.891 1.00 0.00 H ATOM 346 HD12 ILE A 24 6.464 7.485 3.722 1.00 0.00 H ATOM 347 HD13 ILE A 24 6.137 6.597 5.231 1.00 0.00 H ATOM 348 HG21 ILE A 24 8.315 6.483 0.655 1.00 0.00 H ATOM 349 HG22 ILE A 24 6.747 5.756 1.084 1.00 0.00 H ATOM 350 HG23 ILE A 24 7.216 7.331 1.770 1.00 0.00 H ATOM 351 H ILE A 24 9.651 4.093 4.202 1.00 0.00 H ATOM 352 N LEU A 25 10.802 4.954 1.104 1.00 13.16 N ATOM 353 CA LEU A 25 11.745 5.099 -0.004 1.00 19.74 C ATOM 354 C LEU A 25 12.017 3.766 -0.718 1.00 17.88 C ATOM 355 O LEU A 25 11.975 3.668 -1.951 1.00 14.10 O ATOM 356 CB LEU A 25 13.069 5.689 0.507 1.00 17.20 C ATOM 357 CG LEU A 25 14.178 5.998 -0.499 1.00 20.91 C ATOM 358 CD1 LEU A 25 13.880 7.282 -1.308 1.00 17.63 C ATOM 359 CD2 LEU A 25 15.503 6.154 0.233 1.00 17.90 C ATOM 360 HA LEU A 25 11.289 5.774 -0.728 1.00 0.00 H ATOM 361 HB2 LEU A 25 12.828 6.623 1.015 1.00 0.00 H ATOM 362 HB3 LEU A 25 13.478 4.980 1.227 1.00 0.00 H ATOM 363 HG LEU A 25 14.232 5.166 -1.201 1.00 0.00 H ATOM 364 HD21 LEU A 25 15.426 6.971 0.950 1.00 0.00 H ATOM 365 HD22 LEU A 25 15.738 5.228 0.758 1.00 0.00 H ATOM 366 HD23 LEU A 25 16.291 6.374 -0.487 1.00 0.00 H ATOM 367 HD11 LEU A 25 12.946 7.156 -1.856 1.00 0.00 H ATOM 368 HD12 LEU A 25 13.791 8.127 -0.626 1.00 0.00 H ATOM 369 HD13 LEU A 25 14.693 7.464 -2.011 1.00 0.00 H ATOM 370 H LEU A 25 11.064 5.317 2.043 1.00 0.00 H ATOM 371 N ASN A 26 12.321 2.733 0.052 1.00 23.10 N ATOM 372 CA ASN A 26 12.581 1.443 -0.551 1.00 21.31 C ATOM 373 C ASN A 26 11.401 0.919 -1.381 1.00 20.83 C ATOM 374 O ASN A 26 11.609 0.231 -2.371 1.00 24.11 O ATOM 375 CB ASN A 26 12.950 0.404 0.501 1.00 25.25 C ATOM 376 CG ASN A 26 13.537 -0.827 -0.121 1.00 26.71 C ATOM 377 OD1 ASN A 26 14.538 -0.736 -0.833 1.00 29.25 O ATOM 378 ND2 ASN A 26 12.933 -1.985 0.126 1.00 21.00 N ATOM 379 HA ASN A 26 13.423 1.600 -1.226 1.00 0.00 H ATOM 380 HB2 ASN A 26 13.679 0.837 1.186 1.00 0.00 H ATOM 381 HB3 ASN A 26 12.053 0.127 1.055 1.00 0.00 H ATOM 382 HD22 ASN A 26 12.090 -2.012 0.734 1.00 0.00 H ATOM 383 HD21 ASN A 26 13.304 -2.864 -0.289 1.00 0.00 H ATOM 384 H ASN A 26 12.373 2.848 1.084 1.00 0.00 H ATOM 385 N GLY A 27 10.175 1.240 -0.972 1.00 23.05 N ATOM 386 CA GLY A 27 8.975 0.769 -1.650 1.00 24.98 C ATOM 387 C GLY A 27 8.831 1.304 -3.070 1.00 29.71 C ATOM 388 O GLY A 27 8.283 0.640 -3.959 1.00 31.84 O ATOM 389 HA3 GLY A 27 8.106 1.084 -1.072 1.00 0.00 H ATOM 390 HA2 GLY A 27 9.007 -0.320 -1.692 1.00 0.00 H ATOM 391 H GLY A 27 10.070 1.850 -0.136 1.00 0.00 H ATOM 392 N ILE A 28 9.352 2.504 -3.280 1.00 30.21 N ATOM 393 CA ILE A 28 9.321 3.179 -4.564 1.00 29.52 C ATOM 394 C ILE A 28 10.069 2.381 -5.625 1.00 28.42 C ATOM 395 O ILE A 28 9.693 2.398 -6.794 1.00 26.57 O ATOM 396 CB ILE A 28 9.910 4.602 -4.381 1.00 29.19 C ATOM 397 CG1 ILE A 28 8.969 5.423 -3.499 1.00 24.57 C ATOM 398 CG2 ILE A 28 10.169 5.292 -5.713 1.00 28.30 C ATOM 399 CD1 ILE A 28 9.481 6.772 -3.161 1.00 24.76 C ATOM 400 HA ILE A 28 8.293 3.261 -4.917 1.00 0.00 H ATOM 401 HB ILE A 28 10.880 4.516 -3.892 1.00 0.00 H ATOM 402 HG12 ILE A 28 8.021 5.538 -4.024 1.00 0.00 H ATOM 403 HG13 ILE A 28 8.805 4.876 -2.571 1.00 0.00 H ATOM 404 HD11 ILE A 28 10.425 6.677 -2.624 1.00 0.00 H ATOM 405 HD12 ILE A 28 9.639 7.339 -4.078 1.00 0.00 H ATOM 406 HD13 ILE A 28 8.754 7.288 -2.534 1.00 0.00 H ATOM 407 HG21 ILE A 28 10.879 4.703 -6.294 1.00 0.00 H ATOM 408 HG22 ILE A 28 9.232 5.381 -6.263 1.00 0.00 H ATOM 409 HG23 ILE A 28 10.581 6.285 -5.532 1.00 0.00 H ATOM 410 H ILE A 28 9.808 2.989 -2.481 1.00 0.00 H ATOM 411 N ASN A 29 11.117 1.670 -5.205 1.00 27.04 N ATOM 412 CA ASN A 29 11.905 0.828 -6.103 1.00 32.16 C ATOM 413 C ASN A 29 11.101 -0.266 -6.813 1.00 30.48 C ATOM 414 O ASN A 29 11.541 -0.813 -7.819 1.00 31.31 O ATOM 415 CB ASN A 29 13.067 0.179 -5.350 1.00 29.75 C ATOM 416 CG ASN A 29 14.078 1.184 -4.853 1.00 29.77 C ATOM 417 OD1 ASN A 29 14.694 1.906 -5.643 1.00 29.61 O ATOM 418 ND2 ASN A 29 14.266 1.234 -3.538 1.00 25.75 N ATOM 419 HA ASN A 29 12.270 1.504 -6.876 1.00 0.00 H ATOM 420 HB2 ASN A 29 12.667 -0.365 -4.494 1.00 0.00 H ATOM 421 HB3 ASN A 29 13.570 -0.519 -6.020 1.00 0.00 H ATOM 422 HD22 ASN A 29 13.724 0.606 -2.911 1.00 0.00 H ATOM 423 HD21 ASN A 29 14.955 1.901 -3.136 1.00 0.00 H ATOM 424 H ASN A 29 11.383 1.717 -4.201 1.00 0.00 H ATOM 425 N ASN A 30 9.930 -0.595 -6.284 1.00 33.61 N ATOM 426 CA ASN A 30 9.087 -1.627 -6.881 1.00 36.03 C ATOM 427 C ASN A 30 7.951 -1.075 -7.735 1.00 37.69 C ATOM 428 O ASN A 30 7.282 -1.835 -8.440 1.00 31.23 O ATOM 429 CB ASN A 30 8.475 -2.506 -5.796 1.00 37.76 C ATOM 430 CG ASN A 30 9.517 -3.130 -4.907 1.00 44.58 C ATOM 431 OD1 ASN A 30 10.390 -3.852 -5.381 1.00 45.82 O ATOM 432 ND2 ASN A 30 9.444 -2.845 -3.607 1.00 48.63 N ATOM 433 HA ASN A 30 9.748 -2.199 -7.532 1.00 0.00 H ATOM 434 HB2 ASN A 30 7.812 -1.895 -5.183 1.00 0.00 H ATOM 435 HB3 ASN A 30 7.899 -3.300 -6.272 1.00 0.00 H ATOM 436 HD22 ASN A 30 8.686 -2.228 -3.252 1.00 0.00 H ATOM 437 HD21 ASN A 30 10.145 -3.240 -2.948 1.00 0.00 H ATOM 438 H ASN A 30 9.605 -0.107 -5.425 1.00 0.00 H ATOM 439 N TYR A 31 7.711 0.234 -7.664 1.00 40.00 N ATOM 440 CA TYR A 31 6.600 0.808 -8.423 1.00 41.99 C ATOM 441 C TYR A 31 6.822 0.689 -9.925 1.00 43.97 C ATOM 442 O TYR A 31 7.945 0.792 -10.416 1.00 37.18 O ATOM 443 CB TYR A 31 6.322 2.266 -8.045 1.00 46.33 C ATOM 444 CG TYR A 31 5.867 2.499 -6.615 1.00 50.00 C ATOM 445 CD1 TYR A 31 5.420 1.459 -5.812 1.00 52.97 C ATOM 446 CD2 TYR A 31 5.891 3.774 -6.070 1.00 53.72 C ATOM 447 CE1 TYR A 31 5.012 1.692 -4.499 1.00 54.09 C ATOM 448 CE2 TYR A 31 5.488 4.013 -4.771 1.00 53.97 C ATOM 449 CZ TYR A 31 5.050 2.974 -3.990 1.00 54.04 C ATOM 450 OH TYR A 31 4.655 3.224 -2.692 1.00 55.16 O ATOM 451 HA TYR A 31 5.720 0.223 -8.155 1.00 0.00 H ATOM 452 HB3 TYR A 31 5.545 2.643 -8.710 1.00 0.00 H ATOM 453 HB2 TYR A 31 7.239 2.834 -8.202 1.00 0.00 H ATOM 454 HD2 TYR A 31 6.236 4.608 -6.682 1.00 0.00 H ATOM 455 HE2 TYR A 31 5.518 5.025 -4.367 1.00 0.00 H ATOM 456 HE1 TYR A 31 4.665 0.866 -3.878 1.00 0.00 H ATOM 457 HD1 TYR A 31 5.387 0.446 -6.213 1.00 0.00 H ATOM 458 HH TYR A 31 5.414 3.609 -2.186 1.00 0.00 H ATOM 459 H TYR A 31 8.310 0.844 -7.072 1.00 0.00 H ATOM 460 N LYS A 32 5.737 0.454 -10.650 1.00 47.43 N ATOM 461 CA LYS A 32 5.816 0.357 -12.093 1.00 50.02 C ATOM 462 C LYS A 32 5.807 1.732 -12.745 1.00 46.92 C ATOM 463 O LYS A 32 5.287 2.703 -12.197 1.00 40.60 O ATOM 464 CB LYS A 32 4.707 -0.532 -12.642 1.00 57.18 C ATOM 465 CG LYS A 32 5.029 -2.011 -12.495 1.00 64.90 C ATOM 466 CD LYS A 32 4.005 -2.896 -13.192 1.00 70.35 C ATOM 467 CE LYS A 32 4.407 -4.375 -13.120 1.00 74.31 C ATOM 468 NZ LYS A 32 5.703 -4.652 -13.820 1.00 74.57 N ATOM 469 HA LYS A 32 6.768 -0.111 -12.344 1.00 0.00 H ATOM 470 HB2 LYS A 32 3.785 -0.318 -12.101 1.00 0.00 H ATOM 471 HB3 LYS A 32 4.567 -0.306 -13.699 1.00 0.00 H ATOM 472 HG2 LYS A 32 6.011 -2.201 -12.929 1.00 0.00 H ATOM 473 HG3 LYS A 32 5.047 -2.263 -11.435 1.00 0.00 H ATOM 474 HD2 LYS A 32 3.036 -2.767 -12.709 1.00 0.00 H ATOM 475 HD3 LYS A 32 3.931 -2.598 -14.238 1.00 0.00 H ATOM 476 HE2 LYS A 32 3.623 -4.974 -13.585 1.00 0.00 H ATOM 477 HE3 LYS A 32 4.507 -4.660 -12.073 1.00 0.00 H ATOM 478 HZ1 LYS A 32 5.616 -4.391 -14.823 1.00 0.00 H ATOM 479 HZ2 LYS A 32 6.460 -4.092 -13.379 1.00 0.00 H ATOM 480 HZ3 LYS A 32 5.928 -5.664 -13.742 1.00 0.00 H ATOM 481 H LYS A 32 4.818 0.338 -10.177 1.00 0.00 H ATOM 482 N ASN A 33 6.376 1.783 -13.936 1.00 43.84 N ATOM 483 CA ASN A 33 6.580 3.030 -14.662 1.00 46.30 C ATOM 484 C ASN A 33 5.460 4.065 -14.770 1.00 44.14 C ATOM 485 O ASN A 33 5.676 5.229 -14.446 1.00 48.51 O ATOM 486 CB ASN A 33 7.263 2.734 -15.983 1.00 45.57 C ATOM 487 CG ASN A 33 8.558 2.019 -15.756 1.00 48.12 C ATOM 488 OD1 ASN A 33 9.432 2.529 -15.047 1.00 46.67 O ATOM 489 ND2 ASN A 33 8.668 0.805 -16.266 1.00 48.45 N ATOM 490 HA ASN A 33 7.221 3.598 -13.988 1.00 0.00 H ATOM 491 HB2 ASN A 33 6.610 2.109 -16.592 1.00 0.00 H ATOM 492 HB3 ASN A 33 7.457 3.671 -16.504 1.00 0.00 H ATOM 493 HD22 ASN A 33 7.905 0.418 -16.858 1.00 0.00 H ATOM 494 HD21 ASN A 33 9.518 0.236 -16.076 1.00 0.00 H ATOM 495 H ASN A 33 6.692 0.895 -14.375 1.00 0.00 H ATOM 496 N PRO A 34 4.278 3.667 -15.213 1.00 39.53 N ATOM 497 CA PRO A 34 3.180 4.629 -15.327 1.00 37.86 C ATOM 498 C PRO A 34 2.974 5.280 -13.956 1.00 37.99 C ATOM 499 O PRO A 34 3.028 6.512 -13.823 1.00 38.12 O ATOM 500 CB PRO A 34 1.989 3.764 -15.749 1.00 37.22 C ATOM 501 CG PRO A 34 2.601 2.515 -16.317 1.00 38.00 C ATOM 502 CD PRO A 34 3.906 2.308 -15.632 1.00 32.38 C ATOM 503 HA PRO A 34 3.345 5.440 -16.037 1.00 0.00 H ATOM 504 HD3 PRO A 34 3.797 1.648 -14.771 1.00 0.00 H ATOM 505 HD2 PRO A 34 4.646 1.892 -16.316 1.00 0.00 H ATOM 506 HG3 PRO A 34 2.757 2.631 -17.390 1.00 0.00 H ATOM 507 HG2 PRO A 34 1.946 1.663 -16.136 1.00 0.00 H ATOM 508 HB2 PRO A 34 1.362 3.528 -14.889 1.00 0.00 H ATOM 509 HB3 PRO A 34 1.391 4.276 -16.503 1.00 0.00 H ATOM 510 N LYS A 35 2.791 4.445 -12.940 1.00 31.30 N ATOM 511 CA LYS A 35 2.665 4.911 -11.563 1.00 36.34 C ATOM 512 C LYS A 35 3.884 5.744 -11.137 1.00 33.48 C ATOM 513 O LYS A 35 3.749 6.867 -10.666 1.00 30.71 O ATOM 514 CB LYS A 35 2.492 3.712 -10.630 1.00 39.47 C ATOM 515 CG LYS A 35 2.432 4.037 -9.146 1.00 44.32 C ATOM 516 CD LYS A 35 2.400 2.751 -8.318 1.00 49.26 C ATOM 517 CE LYS A 35 1.156 1.918 -8.621 1.00 53.25 C ATOM 518 NZ LYS A 35 1.160 0.622 -7.875 1.00 54.64 N ATOM 519 HA LYS A 35 1.787 5.554 -11.499 1.00 0.00 H ATOM 520 HB2 LYS A 35 1.565 3.207 -10.901 1.00 0.00 H ATOM 521 HB3 LYS A 35 3.332 3.037 -10.792 1.00 0.00 H ATOM 522 HG2 LYS A 35 3.311 4.620 -8.870 1.00 0.00 H ATOM 523 HG3 LYS A 35 1.533 4.618 -8.942 1.00 0.00 H ATOM 524 HD2 LYS A 35 3.287 2.160 -8.548 1.00 0.00 H ATOM 525 HD3 LYS A 35 2.403 3.011 -7.260 1.00 0.00 H ATOM 526 HE2 LYS A 35 1.122 1.710 -9.690 1.00 0.00 H ATOM 527 HE3 LYS A 35 0.272 2.487 -8.335 1.00 0.00 H ATOM 528 HZ1 LYS A 35 1.998 0.069 -8.147 1.00 0.00 H ATOM 529 HZ2 LYS A 35 1.185 0.812 -6.853 1.00 0.00 H ATOM 530 HZ3 LYS A 35 0.299 0.087 -8.108 1.00 0.00 H ATOM 531 H LYS A 35 2.736 3.424 -13.132 1.00 0.00 H ATOM 532 N LEU A 36 5.075 5.182 -11.322 1.00 29.62 N ATOM 533 CA LEU A 36 6.311 5.845 -10.927 1.00 28.77 C ATOM 534 C LEU A 36 6.447 7.227 -11.565 1.00 23.90 C ATOM 535 O LEU A 36 6.770 8.215 -10.890 1.00 23.68 O ATOM 536 CB LEU A 36 7.511 4.963 -11.291 1.00 28.93 C ATOM 537 CG LEU A 36 8.866 5.438 -10.776 1.00 28.17 C ATOM 538 CD1 LEU A 36 8.835 5.409 -9.259 1.00 25.12 C ATOM 539 CD2 LEU A 36 9.982 4.569 -11.323 1.00 25.34 C ATOM 540 HA LEU A 36 6.284 5.992 -9.847 1.00 0.00 H ATOM 541 HB2 LEU A 36 7.329 3.967 -10.886 1.00 0.00 H ATOM 542 HB3 LEU A 36 7.567 4.907 -12.378 1.00 0.00 H ATOM 543 HG LEU A 36 9.061 6.455 -11.115 1.00 0.00 H ATOM 544 HD21 LEU A 36 9.826 3.538 -11.007 1.00 0.00 H ATOM 545 HD22 LEU A 36 9.980 4.621 -12.412 1.00 0.00 H ATOM 546 HD23 LEU A 36 10.939 4.926 -10.942 1.00 0.00 H ATOM 547 HD11 LEU A 36 8.045 6.069 -8.900 1.00 0.00 H ATOM 548 HD12 LEU A 36 8.641 4.391 -8.920 1.00 0.00 H ATOM 549 HD13 LEU A 36 9.796 5.746 -8.871 1.00 0.00 H ATOM 550 H LEU A 36 5.126 4.241 -11.762 1.00 0.00 H ATOM 551 N THR A 37 6.177 7.299 -12.865 1.00 22.78 N ATOM 552 CA THR A 37 6.299 8.561 -13.601 1.00 25.63 C ATOM 553 C THR A 37 5.416 9.654 -13.008 1.00 26.33 C ATOM 554 O THR A 37 5.908 10.746 -12.701 1.00 21.08 O ATOM 555 CB THR A 37 6.011 8.362 -15.091 1.00 25.95 C ATOM 556 OG1 THR A 37 6.989 7.472 -15.647 1.00 31.73 O ATOM 557 CG2 THR A 37 6.226 9.657 -15.860 1.00 27.76 C ATOM 558 HA THR A 37 7.332 8.894 -13.501 1.00 0.00 H ATOM 559 HB THR A 37 4.987 7.997 -15.172 1.00 0.00 H ATOM 560 HG1 THR A 37 6.943 6.600 -15.180 1.00 0.00 H ATOM 561 HG23 THR A 37 5.521 10.409 -15.507 1.00 0.00 H ATOM 562 HG21 THR A 37 7.245 10.009 -15.699 1.00 0.00 H ATOM 563 HG22 THR A 37 6.066 9.478 -16.923 1.00 0.00 H ATOM 564 H THR A 37 5.873 6.442 -13.370 1.00 0.00 H ATOM 565 N ARG A 38 4.135 9.339 -12.818 1.00 23.59 N ATOM 566 CA ARG A 38 3.185 10.268 -12.193 1.00 29.59 C ATOM 567 C ARG A 38 3.628 10.646 -10.786 1.00 24.42 C ATOM 568 O ARG A 38 3.608 11.816 -10.402 1.00 28.23 O ATOM 569 CB ARG A 38 1.785 9.647 -12.045 1.00 30.18 C ATOM 570 CG ARG A 38 1.210 8.888 -13.243 1.00 35.42 C ATOM 571 CD ARG A 38 0.263 9.676 -14.156 1.00 34.44 C ATOM 572 NE ARG A 38 -0.932 10.216 -13.505 1.00 33.30 N ATOM 573 CZ ARG A 38 -2.149 9.659 -13.501 1.00 35.31 C ATOM 574 NH1 ARG A 38 -2.392 8.496 -14.094 1.00 35.29 N ATOM 575 NH2 ARG A 38 -3.138 10.276 -12.873 1.00 32.67 N ATOM 576 HA ARG A 38 3.154 11.138 -12.849 1.00 0.00 H ATOM 577 HB2 ARG A 38 1.825 8.951 -11.207 1.00 0.00 H ATOM 578 HB3 ARG A 38 1.093 10.456 -11.810 1.00 0.00 H ATOM 579 HG2 ARG A 38 2.047 8.543 -13.850 1.00 0.00 H ATOM 580 HG3 ARG A 38 0.662 8.027 -12.859 1.00 0.00 H ATOM 581 HD2 ARG A 38 -0.061 9.012 -14.958 1.00 0.00 H ATOM 582 HD3 ARG A 38 0.821 10.510 -14.580 1.00 0.00 H ATOM 583 HE ARG A 38 -0.825 11.118 -12.998 1.00 0.00 H ATOM 584 HH12 ARG A 38 -3.350 8.091 -14.072 1.00 0.00 H ATOM 585 HH11 ARG A 38 -1.625 7.990 -14.580 1.00 0.00 H ATOM 586 HH22 ARG A 38 -4.089 9.855 -12.861 1.00 0.00 H ATOM 587 HH21 ARG A 38 -2.964 11.181 -12.391 1.00 0.00 H ATOM 588 H ARG A 38 3.797 8.404 -13.123 1.00 0.00 H ATOM 589 N MET A 39 3.980 9.643 -9.998 1.00 25.63 N ATOM 590 CA MET A 39 4.318 9.877 -8.604 1.00 22.79 C ATOM 591 C MET A 39 5.471 10.855 -8.454 1.00 23.54 C ATOM 592 O MET A 39 5.493 11.672 -7.528 1.00 24.38 O ATOM 593 CB MET A 39 4.656 8.567 -7.914 1.00 27.91 C ATOM 594 CG MET A 39 5.094 8.753 -6.483 1.00 36.32 C ATOM 595 SD MET A 39 5.382 7.220 -5.674 1.00 42.75 S ATOM 596 CE MET A 39 7.072 6.952 -6.129 1.00 43.54 C ATOM 597 HA MET A 39 3.443 10.321 -8.129 1.00 0.00 H ATOM 598 HB2 MET A 39 3.773 7.929 -7.927 1.00 0.00 H ATOM 599 HB3 MET A 39 5.462 8.082 -8.464 1.00 0.00 H ATOM 600 HG2 MET A 39 4.316 9.294 -5.945 1.00 0.00 H ATOM 601 HG3 MET A 39 6.015 9.336 -6.470 1.00 0.00 H ATOM 602 HE1 MET A 39 7.151 6.904 -7.215 1.00 0.00 H ATOM 603 HE2 MET A 39 7.682 7.774 -5.755 1.00 0.00 H ATOM 604 HE3 MET A 39 7.419 6.014 -5.696 1.00 0.00 H ATOM 605 H MET A 39 4.015 8.677 -10.380 1.00 0.00 H ATOM 606 N LEU A 40 6.407 10.809 -9.394 1.00 18.58 N ATOM 607 CA LEU A 40 7.573 11.690 -9.334 1.00 21.47 C ATOM 608 C LEU A 40 7.322 13.146 -9.740 1.00 22.96 C ATOM 609 O LEU A 40 8.204 13.973 -9.611 1.00 22.89 O ATOM 610 CB LEU A 40 8.724 11.091 -10.141 1.00 22.69 C ATOM 611 CG LEU A 40 9.458 9.942 -9.457 1.00 24.35 C ATOM 612 CD1 LEU A 40 10.318 9.213 -10.487 1.00 23.60 C ATOM 613 CD2 LEU A 40 10.329 10.475 -8.314 1.00 18.95 C ATOM 614 HA LEU A 40 7.836 11.746 -8.278 1.00 0.00 H ATOM 615 HB2 LEU A 40 8.321 10.722 -11.084 1.00 0.00 H ATOM 616 HB3 LEU A 40 9.446 11.883 -10.341 1.00 0.00 H ATOM 617 HG LEU A 40 8.732 9.246 -9.036 1.00 0.00 H ATOM 618 HD21 LEU A 40 11.060 11.178 -8.713 1.00 0.00 H ATOM 619 HD22 LEU A 40 9.698 10.981 -7.583 1.00 0.00 H ATOM 620 HD23 LEU A 40 10.847 9.644 -7.835 1.00 0.00 H ATOM 621 HD11 LEU A 40 9.680 8.821 -11.279 1.00 0.00 H ATOM 622 HD12 LEU A 40 11.041 9.909 -10.912 1.00 0.00 H ATOM 623 HD13 LEU A 40 10.844 8.391 -10.002 1.00 0.00 H ATOM 624 H LEU A 40 6.310 10.138 -10.183 1.00 0.00 H ATOM 625 N THR A 41 6.114 13.475 -10.190 1.00 23.45 N ATOM 626 CA THR A 41 5.801 14.855 -10.553 1.00 21.87 C ATOM 627 C THR A 41 5.022 15.587 -9.437 1.00 14.68 C ATOM 628 O THR A 41 4.644 16.740 -9.575 1.00 20.03 O ATOM 629 CB THR A 41 4.985 14.896 -11.850 1.00 26.78 C ATOM 630 OG1 THR A 41 3.827 14.068 -11.694 1.00 24.71 O ATOM 631 CG2 THR A 41 5.758 14.231 -13.006 1.00 30.53 C ATOM 632 HA THR A 41 6.752 15.369 -10.697 1.00 0.00 H ATOM 633 HB THR A 41 4.758 15.942 -12.057 1.00 0.00 H ATOM 634 HG1 THR A 41 4.110 13.138 -11.505 1.00 0.00 H ATOM 635 HG23 THR A 41 6.669 14.795 -13.204 1.00 0.00 H ATOM 636 HG21 THR A 41 6.015 13.209 -12.729 1.00 0.00 H ATOM 637 HG22 THR A 41 5.134 14.220 -13.900 1.00 0.00 H ATOM 638 H THR A 41 5.384 12.741 -10.285 1.00 0.00 H ATOM 639 N PHE A 42 4.784 14.886 -8.348 1.00 16.55 N ATOM 640 CA PHE A 42 4.065 15.406 -7.199 1.00 18.44 C ATOM 641 C PHE A 42 5.122 16.119 -6.357 1.00 23.64 C ATOM 642 O PHE A 42 6.102 15.511 -5.923 1.00 25.59 O ATOM 643 CB PHE A 42 3.433 14.215 -6.477 1.00 19.91 C ATOM 644 CG PHE A 42 2.566 14.570 -5.296 1.00 22.52 C ATOM 645 CD1 PHE A 42 3.127 14.879 -4.065 1.00 22.79 C ATOM 646 CD2 PHE A 42 1.180 14.510 -5.401 1.00 22.34 C ATOM 647 CE1 PHE A 42 2.332 15.167 -2.965 1.00 21.89 C ATOM 648 CE2 PHE A 42 0.376 14.804 -4.304 1.00 23.23 C ATOM 649 CZ PHE A 42 0.961 15.134 -3.081 1.00 23.65 C ATOM 650 HA PHE A 42 3.261 16.102 -7.440 1.00 0.00 H ATOM 651 HB2 PHE A 42 2.820 13.671 -7.195 1.00 0.00 H ATOM 652 HB3 PHE A 42 4.237 13.568 -6.124 1.00 0.00 H ATOM 653 HD2 PHE A 42 0.721 14.231 -6.349 1.00 0.00 H ATOM 654 HE2 PHE A 42 -0.709 14.777 -4.400 1.00 0.00 H ATOM 655 HZ PHE A 42 0.334 15.365 -2.220 1.00 0.00 H ATOM 656 HE1 PHE A 42 2.793 15.419 -2.010 1.00 0.00 H ATOM 657 HD1 PHE A 42 4.212 14.896 -3.960 1.00 0.00 H ATOM 658 H PHE A 42 5.130 13.906 -8.309 1.00 0.00 H ATOM 659 N LYS A 43 4.968 17.420 -6.173 1.00 18.80 N ATOM 660 CA LYS A 43 6.002 18.184 -5.489 1.00 22.30 C ATOM 661 C LYS A 43 5.871 18.303 -3.975 1.00 20.02 C ATOM 662 O LYS A 43 4.772 18.342 -3.423 1.00 23.11 O ATOM 663 CB LYS A 43 6.152 19.566 -6.124 1.00 22.13 C ATOM 664 CG LYS A 43 6.335 19.567 -7.640 1.00 31.73 C ATOM 665 CD LYS A 43 7.158 18.384 -8.184 1.00 32.49 C ATOM 666 CE LYS A 43 8.597 18.331 -7.653 1.00 28.27 C ATOM 667 NZ LYS A 43 9.457 19.453 -8.143 1.00 29.74 N ATOM 668 HA LYS A 43 6.906 17.591 -5.629 1.00 0.00 H ATOM 669 HB2 LYS A 43 5.257 20.144 -5.891 1.00 0.00 H ATOM 670 HB3 LYS A 43 7.021 20.050 -5.679 1.00 0.00 H ATOM 671 HG2 LYS A 43 5.348 19.537 -8.102 1.00 0.00 H ATOM 672 HG3 LYS A 43 6.839 20.491 -7.922 1.00 0.00 H ATOM 673 HD2 LYS A 43 6.655 17.458 -7.905 1.00 0.00 H ATOM 674 HD3 LYS A 43 7.196 18.462 -9.271 1.00 0.00 H ATOM 675 HE2 LYS A 43 9.046 17.389 -7.967 1.00 0.00 H ATOM 676 HE3 LYS A 43 8.565 18.371 -6.564 1.00 0.00 H ATOM 677 HZ1 LYS A 43 9.507 19.422 -9.181 1.00 0.00 H ATOM 678 HZ2 LYS A 43 9.047 20.360 -7.841 1.00 0.00 H ATOM 679 HZ3 LYS A 43 10.413 19.354 -7.746 1.00 0.00 H ATOM 680 H LYS A 43 4.110 17.896 -6.516 1.00 0.00 H ATOM 681 N PHE A 44 7.024 18.310 -3.313 1.00 18.20 N ATOM 682 CA PHE A 44 7.124 18.505 -1.873 1.00 19.86 C ATOM 683 C PHE A 44 7.901 19.774 -1.534 1.00 20.92 C ATOM 684 O PHE A 44 8.832 20.170 -2.240 1.00 22.14 O ATOM 685 CB PHE A 44 7.785 17.303 -1.215 1.00 22.37 C ATOM 686 CG PHE A 44 6.939 16.058 -1.227 1.00 24.22 C ATOM 687 CD1 PHE A 44 6.074 15.784 -0.178 1.00 20.00 C ATOM 688 CD2 PHE A 44 7.006 15.168 -2.285 1.00 19.04 C ATOM 689 CE1 PHE A 44 5.306 14.638 -0.174 1.00 20.89 C ATOM 690 CE2 PHE A 44 6.230 14.014 -2.295 1.00 22.21 C ATOM 691 CZ PHE A 44 5.381 13.742 -1.227 1.00 15.34 C ATOM 692 HA PHE A 44 6.111 18.612 -1.486 1.00 0.00 H ATOM 693 HB2 PHE A 44 8.715 17.091 -1.742 1.00 0.00 H ATOM 694 HB3 PHE A 44 8.006 17.558 -0.179 1.00 0.00 H ATOM 695 HD2 PHE A 44 7.675 15.374 -3.120 1.00 0.00 H ATOM 696 HE2 PHE A 44 6.287 13.325 -3.137 1.00 0.00 H ATOM 697 HZ PHE A 44 4.781 12.832 -1.219 1.00 0.00 H ATOM 698 HE1 PHE A 44 4.637 14.437 0.662 1.00 0.00 H ATOM 699 HD1 PHE A 44 6.000 16.484 0.655 1.00 0.00 H ATOM 700 H PHE A 44 7.902 18.169 -3.852 1.00 0.00 H ATOM 701 N TYR A 45 7.511 20.421 -0.447 1.00 22.12 N ATOM 702 CA TYR A 45 8.212 21.615 -0.006 1.00 23.38 C ATOM 703 C TYR A 45 9.339 21.211 0.940 1.00 22.13 C ATOM 704 O TYR A 45 9.129 20.379 1.827 1.00 18.20 O ATOM 705 CB TYR A 45 7.268 22.603 0.667 1.00 27.93 C ATOM 706 CG TYR A 45 6.336 23.266 -0.311 1.00 35.20 C ATOM 707 CD1 TYR A 45 6.709 24.424 -0.990 1.00 36.09 C ATOM 708 CD2 TYR A 45 5.091 22.727 -0.574 1.00 37.35 C ATOM 709 CE1 TYR A 45 5.850 25.030 -1.890 1.00 40.78 C ATOM 710 CE2 TYR A 45 4.223 23.325 -1.473 1.00 41.26 C ATOM 711 CZ TYR A 45 4.608 24.473 -2.128 1.00 42.87 C ATOM 712 OH TYR A 45 3.747 25.065 -3.020 1.00 45.27 O ATOM 713 HA TYR A 45 8.630 22.118 -0.878 1.00 0.00 H ATOM 714 HB3 TYR A 45 7.861 23.372 1.162 1.00 0.00 H ATOM 715 HB2 TYR A 45 6.675 22.070 1.410 1.00 0.00 H ATOM 716 HD2 TYR A 45 4.786 21.813 -0.064 1.00 0.00 H ATOM 717 HE2 TYR A 45 3.242 22.889 -1.660 1.00 0.00 H ATOM 718 HE1 TYR A 45 6.151 25.941 -2.408 1.00 0.00 H ATOM 719 HD1 TYR A 45 7.692 24.859 -0.810 1.00 0.00 H ATOM 720 HH TYR A 45 4.173 25.874 -3.401 1.00 0.00 H ATOM 721 H TYR A 45 6.696 20.072 0.096 1.00 0.00 H ATOM 722 N MET A 46 10.503 21.812 0.729 1.00 17.47 N ATOM 723 CA MET A 46 11.710 21.543 1.517 1.00 22.60 C ATOM 724 C MET A 46 12.037 22.751 2.375 1.00 22.88 C ATOM 725 O MET A 46 11.901 23.885 1.926 1.00 29.46 O ATOM 726 CB MET A 46 12.888 21.243 0.589 1.00 26.14 C ATOM 727 CG MET A 46 12.505 20.307 -0.532 1.00 26.34 C ATOM 728 SD MET A 46 12.484 18.609 0.084 1.00 30.74 S ATOM 729 CE MET A 46 14.242 18.197 -0.166 1.00 20.64 C ATOM 730 HA MET A 46 11.530 20.678 2.156 1.00 0.00 H ATOM 731 HB2 MET A 46 13.244 22.179 0.159 1.00 0.00 H ATOM 732 HB3 MET A 46 13.687 20.785 1.172 1.00 0.00 H ATOM 733 HG2 MET A 46 13.231 20.392 -1.341 1.00 0.00 H ATOM 734 HG3 MET A 46 11.515 20.571 -0.905 1.00 0.00 H ATOM 735 HE1 MET A 46 14.489 18.291 -1.223 1.00 0.00 H ATOM 736 HE2 MET A 46 14.860 18.881 0.415 1.00 0.00 H ATOM 737 HE3 MET A 46 14.424 17.173 0.161 1.00 0.00 H ATOM 738 H MET A 46 10.563 22.512 -0.037 1.00 0.00 H ATOM 739 N PRO A 47 12.452 22.514 3.611 1.00 23.86 N ATOM 740 CA PRO A 47 12.761 23.615 4.531 1.00 29.73 C ATOM 741 C PRO A 47 14.092 24.240 4.180 1.00 27.86 C ATOM 742 O PRO A 47 14.986 23.524 3.720 1.00 26.90 O ATOM 743 CB PRO A 47 12.850 22.921 5.895 1.00 28.89 C ATOM 744 CG PRO A 47 13.184 21.506 5.585 1.00 24.91 C ATOM 745 CD PRO A 47 12.657 21.192 4.221 1.00 25.99 C ATOM 746 HA PRO A 47 12.022 24.416 4.500 1.00 0.00 H ATOM 747 HD3 PRO A 47 13.379 20.608 3.650 1.00 0.00 H ATOM 748 HD2 PRO A 47 11.717 20.643 4.284 1.00 0.00 H ATOM 749 HG3 PRO A 47 12.722 20.847 6.320 1.00 0.00 H ATOM 750 HG2 PRO A 47 14.265 21.369 5.604 1.00 0.00 H ATOM 751 HB2 PRO A 47 13.631 23.374 6.506 1.00 0.00 H ATOM 752 HB3 PRO A 47 11.897 22.984 6.420 1.00 0.00 H ATOM 753 N LYS A 48 14.223 25.547 4.358 1.00 32.81 N ATOM 754 CA LYS A 48 15.499 26.200 4.096 1.00 38.82 C ATOM 755 C LYS A 48 16.505 25.550 5.023 1.00 41.86 C ATOM 756 O LYS A 48 17.572 25.108 4.603 1.00 41.99 O ATOM 757 CB LYS A 48 15.421 27.708 4.357 1.00 40.64 C ATOM 758 CG LYS A 48 14.556 28.467 3.359 1.00 45.65 C ATOM 759 CD LYS A 48 14.994 29.920 3.216 1.00 50.25 C ATOM 760 CE LYS A 48 14.189 30.643 2.133 1.00 52.18 C ATOM 761 NZ LYS A 48 14.953 31.823 1.618 1.00 54.38 N ATOM 762 HA LYS A 48 15.784 26.084 3.050 1.00 0.00 H ATOM 763 HB2 LYS A 48 15.009 27.862 5.354 1.00 0.00 H ATOM 764 HB3 LYS A 48 16.431 28.116 4.315 1.00 0.00 H ATOM 765 HG2 LYS A 48 14.629 27.979 2.387 1.00 0.00 H ATOM 766 HG3 LYS A 48 13.521 28.443 3.700 1.00 0.00 H ATOM 767 HD2 LYS A 48 14.847 30.430 4.168 1.00 0.00 H ATOM 768 HD3 LYS A 48 16.051 29.947 2.950 1.00 0.00 H ATOM 769 HE2 LYS A 48 13.243 30.983 2.554 1.00 0.00 H ATOM 770 HE3 LYS A 48 13.993 29.955 1.311 1.00 0.00 H ATOM 771 HZ1 LYS A 48 15.139 32.482 2.400 1.00 0.00 H ATOM 772 HZ2 LYS A 48 15.855 31.501 1.213 1.00 0.00 H ATOM 773 HZ3 LYS A 48 14.394 32.303 0.884 1.00 0.00 H ATOM 774 H LYS A 48 13.412 26.109 4.686 1.00 0.00 H ATOM 775 N LYS A 49 16.119 25.451 6.289 1.00 43.60 N ATOM 776 CA LYS A 49 16.976 24.901 7.324 1.00 47.17 C ATOM 777 C LYS A 49 16.310 23.751 8.088 1.00 43.64 C ATOM 778 O LYS A 49 15.146 23.828 8.482 1.00 42.09 O ATOM 779 CB LYS A 49 17.371 26.028 8.293 1.00 51.70 C ATOM 780 CG LYS A 49 18.310 25.637 9.427 1.00 57.23 C ATOM 781 CD LYS A 49 18.621 26.842 10.328 1.00 60.31 C ATOM 782 CE LYS A 49 17.355 27.411 10.973 1.00 63.57 C ATOM 783 NZ LYS A 49 17.639 28.559 11.884 1.00 65.06 N ATOM 784 HA LYS A 49 17.862 24.484 6.845 1.00 0.00 H ATOM 785 HB2 LYS A 49 17.857 26.812 7.712 1.00 0.00 H ATOM 786 HB3 LYS A 49 16.457 26.421 8.738 1.00 0.00 H ATOM 787 HG2 LYS A 49 17.840 24.856 10.025 1.00 0.00 H ATOM 788 HG3 LYS A 49 19.241 25.258 9.004 1.00 0.00 H ATOM 789 HD2 LYS A 49 19.307 26.527 11.114 1.00 0.00 H ATOM 790 HD3 LYS A 49 19.092 27.620 9.727 1.00 0.00 H ATOM 791 HE2 LYS A 49 16.871 26.621 11.547 1.00 0.00 H ATOM 792 HE3 LYS A 49 16.683 27.749 10.184 1.00 0.00 H ATOM 793 HZ1 LYS A 49 18.273 28.246 12.647 1.00 0.00 H ATOM 794 HZ2 LYS A 49 18.094 29.323 11.345 1.00 0.00 H ATOM 795 HZ3 LYS A 49 16.747 28.905 12.293 1.00 0.00 H ATOM 796 H LYS A 49 15.167 25.780 6.549 1.00 0.00 H ATOM 797 N ALA A 50 17.057 22.676 8.282 1.00 41.36 N ATOM 798 CA ALA A 50 16.593 21.568 9.106 1.00 39.39 C ATOM 799 C ALA A 50 17.831 20.997 9.758 1.00 31.18 C ATOM 800 O ALA A 50 18.499 20.167 9.159 1.00 34.16 O ATOM 801 CB ALA A 50 15.883 20.520 8.265 1.00 41.07 C ATOM 802 HA ALA A 50 15.868 21.900 9.849 1.00 0.00 H ATOM 803 HB1 ALA A 50 15.023 20.973 7.773 1.00 0.00 H ATOM 804 HB2 ALA A 50 16.571 20.132 7.514 1.00 0.00 H ATOM 805 HB3 ALA A 50 15.548 19.706 8.908 1.00 0.00 H ATOM 806 H ALA A 50 17.995 22.621 7.837 1.00 0.00 H ATOM 807 N THR A 51 18.162 21.491 10.954 1.00 28.85 N ATOM 808 CA THR A 51 19.340 21.031 11.709 1.00 26.28 C ATOM 809 C THR A 51 19.027 20.812 13.178 1.00 26.53 C ATOM 810 O THR A 51 19.900 20.390 13.937 1.00 28.48 O ATOM 811 CB THR A 51 20.490 22.044 11.681 1.00 26.04 C ATOM 812 OG1 THR A 51 19.991 23.331 12.047 1.00 30.29 O ATOM 813 CG2 THR A 51 21.078 22.223 10.273 1.00 28.17 C ATOM 814 HA THR A 51 19.627 20.101 11.219 1.00 0.00 H ATOM 815 HB THR A 51 21.251 21.665 12.363 1.00 0.00 H ATOM 816 HG1 THR A 51 20.732 23.988 12.030 1.00 0.00 H ATOM 817 HG23 THR A 51 21.481 21.272 9.926 1.00 0.00 H ATOM 818 HG21 THR A 51 20.294 22.557 9.593 1.00 0.00 H ATOM 819 HG22 THR A 51 21.874 22.967 10.305 1.00 0.00 H ATOM 820 H THR A 51 17.562 22.232 11.370 1.00 0.00 H ATOM 821 N GLU A 52 17.822 21.182 13.600 1.00 23.48 N ATOM 822 CA GLU A 52 17.393 20.970 14.978 1.00 25.12 C ATOM 823 C GLU A 52 16.033 20.254 15.005 1.00 23.65 C ATOM 824 O GLU A 52 15.310 20.234 13.992 1.00 15.29 O ATOM 825 CB GLU A 52 17.320 22.290 15.754 1.00 30.92 C ATOM 826 CG GLU A 52 18.652 23.015 15.928 1.00 36.64 C ATOM 827 CD GLU A 52 19.758 22.130 16.490 1.00 43.36 C ATOM 828 OE1 GLU A 52 19.470 21.285 17.370 1.00 41.81 O ATOM 829 OE2 GLU A 52 20.926 22.288 16.054 1.00 43.11 O ATOM 830 HA GLU A 52 18.136 20.341 15.468 1.00 0.00 H ATOM 831 HB2 GLU A 52 16.640 22.956 15.224 1.00 0.00 H ATOM 832 HB3 GLU A 52 16.919 22.077 16.745 1.00 0.00 H ATOM 833 HG2 GLU A 52 18.971 23.390 14.955 1.00 0.00 H ATOM 834 HG3 GLU A 52 18.502 23.854 16.608 1.00 0.00 H ATOM 835 H GLU A 52 17.168 21.635 12.930 1.00 0.00 H ATOM 836 N LEU A 53 15.709 19.673 16.161 1.00 23.46 N ATOM 837 CA LEU A 53 14.472 18.934 16.349 1.00 25.71 C ATOM 838 C LEU A 53 13.211 19.742 16.018 1.00 25.67 C ATOM 839 O LEU A 53 12.268 19.210 15.459 1.00 23.22 O ATOM 840 CB LEU A 53 14.402 18.336 17.760 1.00 21.79 C ATOM 841 CG LEU A 53 15.313 17.127 18.020 1.00 27.83 C ATOM 842 CD1 LEU A 53 15.331 16.708 19.485 1.00 21.90 C ATOM 843 CD2 LEU A 53 14.967 15.954 17.110 1.00 26.92 C ATOM 844 HA LEU A 53 14.493 18.120 15.624 1.00 0.00 H ATOM 845 HB2 LEU A 53 14.674 19.118 18.469 1.00 0.00 H ATOM 846 HB3 LEU A 53 13.373 18.025 17.941 1.00 0.00 H ATOM 847 HG LEU A 53 16.325 17.449 17.776 1.00 0.00 H ATOM 848 HD21 LEU A 53 13.935 15.651 17.287 1.00 0.00 H ATOM 849 HD22 LEU A 53 15.085 16.256 16.069 1.00 0.00 H ATOM 850 HD23 LEU A 53 15.634 15.119 17.326 1.00 0.00 H ATOM 851 HD11 LEU A 53 15.693 17.536 20.094 1.00 0.00 H ATOM 852 HD12 LEU A 53 14.322 16.439 19.797 1.00 0.00 H ATOM 853 HD13 LEU A 53 15.991 15.849 19.608 1.00 0.00 H ATOM 854 H LEU A 53 16.369 19.752 16.961 1.00 0.00 H ATOM 855 N LYS A 54 13.206 21.025 16.349 1.00 24.13 N ATOM 856 CA LYS A 54 12.052 21.871 16.063 1.00 26.86 C ATOM 857 C LYS A 54 11.734 21.985 14.568 1.00 24.90 C ATOM 858 O LYS A 54 10.586 22.253 14.187 1.00 19.34 O ATOM 859 CB LYS A 54 12.222 23.247 16.699 1.00 25.67 C ATOM 860 CG LYS A 54 13.278 24.132 16.063 1.00 32.81 C ATOM 861 CD LYS A 54 13.485 25.399 16.902 1.00 34.77 C ATOM 862 CE LYS A 54 14.502 26.335 16.251 1.00 39.35 C ATOM 863 NZ LYS A 54 15.045 27.359 17.203 1.00 39.40 N ATOM 864 HA LYS A 54 11.190 21.379 16.513 1.00 0.00 H ATOM 865 HB2 LYS A 54 11.266 23.767 16.638 1.00 0.00 H ATOM 866 HB3 LYS A 54 12.489 23.103 17.746 1.00 0.00 H ATOM 867 HG2 LYS A 54 14.218 23.583 16.001 1.00 0.00 H ATOM 868 HG3 LYS A 54 12.956 24.413 15.060 1.00 0.00 H ATOM 869 HD2 LYS A 54 12.533 25.921 16.999 1.00 0.00 H ATOM 870 HD3 LYS A 54 13.845 25.116 17.891 1.00 0.00 H ATOM 871 HE2 LYS A 54 14.019 26.852 15.422 1.00 0.00 H ATOM 872 HE3 LYS A 54 15.331 25.738 15.871 1.00 0.00 H ATOM 873 HZ1 LYS A 54 14.264 27.942 17.566 1.00 0.00 H ATOM 874 HZ2 LYS A 54 15.517 26.878 17.995 1.00 0.00 H ATOM 875 HZ3 LYS A 54 15.729 27.965 16.706 1.00 0.00 H ATOM 876 H LYS A 54 14.037 21.435 16.820 1.00 0.00 H ATOM 877 N HIS A 55 12.753 21.798 13.732 1.00 22.09 N ATOM 878 CA HIS A 55 12.582 21.811 12.288 1.00 23.50 C ATOM 879 C HIS A 55 11.691 20.666 11.790 1.00 23.01 C ATOM 880 O HIS A 55 11.176 20.724 10.681 1.00 17.81 O ATOM 881 CB HIS A 55 13.937 21.848 11.564 1.00 23.98 C ATOM 882 CG HIS A 55 14.731 23.078 11.862 1.00 27.53 C ATOM 883 ND1 HIS A 55 16.101 23.071 11.976 1.00 29.84 N ATOM 884 CD2 HIS A 55 14.341 24.353 12.095 1.00 30.04 C ATOM 885 CE1 HIS A 55 16.526 24.288 12.253 1.00 32.77 C ATOM 886 NE2 HIS A 55 15.477 25.085 12.334 1.00 37.05 N ATOM 887 HA HIS A 55 12.055 22.732 12.040 1.00 0.00 H ATOM 888 HB2 HIS A 55 14.518 20.978 11.871 1.00 0.00 H ATOM 889 HB3 HIS A 55 13.757 21.803 10.490 1.00 0.00 H ATOM 890 HD2 HIS A 55 13.317 24.728 12.093 1.00 0.00 H ATOM 891 HE1 HIS A 55 17.566 24.585 12.391 1.00 0.00 H ATOM 892 H HIS A 55 13.703 21.637 14.125 1.00 0.00 H ATOM 893 N LEU A 56 11.498 19.650 12.628 1.00 21.10 N ATOM 894 CA LEU A 56 10.626 18.527 12.307 1.00 20.40 C ATOM 895 C LEU A 56 9.191 18.981 12.030 1.00 20.91 C ATOM 896 O LEU A 56 8.416 18.264 11.413 1.00 18.86 O ATOM 897 CB LEU A 56 10.645 17.504 13.431 1.00 20.32 C ATOM 898 CG LEU A 56 11.802 16.500 13.328 1.00 16.56 C ATOM 899 CD1 LEU A 56 11.898 15.690 14.592 1.00 14.78 C ATOM 900 CD2 LEU A 56 11.601 15.589 12.149 1.00 15.32 C ATOM 901 HA LEU A 56 11.008 18.066 11.396 1.00 0.00 H ATOM 902 HB2 LEU A 56 10.732 18.035 14.379 1.00 0.00 H ATOM 903 HB3 LEU A 56 9.706 16.951 13.410 1.00 0.00 H ATOM 904 HG LEU A 56 12.731 17.053 13.189 1.00 0.00 H ATOM 905 HD21 LEU A 56 10.665 15.043 12.269 1.00 0.00 H ATOM 906 HD22 LEU A 56 11.562 16.182 11.235 1.00 0.00 H ATOM 907 HD23 LEU A 56 12.430 14.884 12.091 1.00 0.00 H ATOM 908 HD11 LEU A 56 12.076 16.356 15.436 1.00 0.00 H ATOM 909 HD12 LEU A 56 10.965 15.147 14.746 1.00 0.00 H ATOM 910 HD13 LEU A 56 12.722 14.982 14.506 1.00 0.00 H ATOM 911 H LEU A 56 11.987 19.658 13.546 1.00 0.00 H ATOM 912 N GLN A 57 8.847 20.171 12.497 1.00 20.03 N ATOM 913 CA GLN A 57 7.556 20.755 12.183 1.00 21.85 C ATOM 914 C GLN A 57 7.399 20.876 10.674 1.00 21.01 C ATOM 915 O GLN A 57 6.305 20.716 10.142 1.00 21.05 O ATOM 916 CB GLN A 57 7.406 22.140 12.810 1.00 25.04 C ATOM 917 CG GLN A 57 5.982 22.677 12.699 1.00 27.18 C ATOM 918 CD GLN A 57 5.823 24.091 13.243 1.00 26.16 C ATOM 919 OE1 GLN A 57 6.285 24.399 14.341 1.00 30.53 O ATOM 920 NE2 GLN A 57 5.171 24.944 12.477 1.00 24.98 N ATOM 921 HA GLN A 57 6.785 20.101 12.591 1.00 0.00 H ATOM 922 HB2 GLN A 57 7.676 22.079 13.864 1.00 0.00 H ATOM 923 HB3 GLN A 57 8.081 22.829 12.303 1.00 0.00 H ATOM 924 HG2 GLN A 57 5.694 22.677 11.648 1.00 0.00 H ATOM 925 HG3 GLN A 57 5.319 22.016 13.257 1.00 0.00 H ATOM 926 HE22 GLN A 57 4.799 24.636 11.556 1.00 0.00 H ATOM 927 HE21 GLN A 57 5.029 25.924 12.794 1.00 0.00 H ATOM 928 H GLN A 57 9.513 20.696 13.099 1.00 0.00 H ATOM 929 N CYS A 58 8.493 21.159 9.980 1.00 15.06 N ATOM 930 CA CYS A 58 8.437 21.307 8.524 1.00 21.53 C ATOM 931 C CYS A 58 8.198 19.982 7.787 1.00 20.32 C ATOM 932 O CYS A 58 7.811 19.954 6.603 1.00 19.28 O ATOM 933 CB CYS A 58 9.700 22.016 8.034 1.00 27.72 C ATOM 934 SG CYS A 58 10.028 23.491 9.021 1.00 29.77 S ATOM 935 HA CYS A 58 7.568 21.921 8.287 1.00 0.00 H ATOM 936 HB2 CYS A 58 9.567 22.305 6.992 1.00 0.00 H ATOM 937 HB3 CYS A 58 10.547 21.335 8.115 1.00 0.00 H ATOM 938 H CYS A 58 9.400 21.277 10.475 1.00 0.00 H ATOM 939 N LEU A 59 8.428 18.883 8.489 1.00 19.93 N ATOM 940 CA LEU A 59 8.143 17.557 7.966 1.00 18.13 C ATOM 941 C LEU A 59 6.671 17.249 8.292 1.00 17.04 C ATOM 942 O LEU A 59 5.931 16.737 7.459 1.00 16.20 O ATOM 943 CB LEU A 59 9.086 16.502 8.579 1.00 18.87 C ATOM 944 CG LEU A 59 8.708 15.032 8.324 1.00 18.71 C ATOM 945 CD1 LEU A 59 8.566 14.728 6.828 1.00 16.20 C ATOM 946 CD2 LEU A 59 9.651 14.055 9.002 1.00 20.11 C ATOM 947 HA LEU A 59 8.309 17.526 6.889 1.00 0.00 H ATOM 948 HB2 LEU A 59 10.083 16.667 8.169 1.00 0.00 H ATOM 949 HB3 LEU A 59 9.107 16.659 9.657 1.00 0.00 H ATOM 950 HG LEU A 59 7.730 14.889 8.783 1.00 0.00 H ATOM 951 HD21 LEU A 59 10.663 14.209 8.627 1.00 0.00 H ATOM 952 HD22 LEU A 59 9.632 14.222 10.079 1.00 0.00 H ATOM 953 HD23 LEU A 59 9.333 13.035 8.785 1.00 0.00 H ATOM 954 HD11 LEU A 59 7.786 15.360 6.403 1.00 0.00 H ATOM 955 HD12 LEU A 59 9.512 14.929 6.326 1.00 0.00 H ATOM 956 HD13 LEU A 59 8.299 13.680 6.695 1.00 0.00 H ATOM 957 H LEU A 59 8.826 18.971 9.446 1.00 0.00 H ATOM 958 N GLU A 60 6.243 17.613 9.498 1.00 15.99 N ATOM 959 CA GLU A 60 4.859 17.390 9.908 1.00 13.66 C ATOM 960 C GLU A 60 3.885 18.090 8.965 1.00 15.19 C ATOM 961 O GLU A 60 2.857 17.537 8.612 1.00 18.28 O ATOM 962 CB GLU A 60 4.625 17.883 11.338 1.00 13.34 C ATOM 963 CG GLU A 60 3.258 17.562 11.939 1.00 20.38 C ATOM 964 CD GLU A 60 3.116 18.176 13.330 1.00 17.76 C ATOM 965 OE1 GLU A 60 3.605 19.321 13.543 1.00 18.19 O ATOM 966 OE2 GLU A 60 2.516 17.525 14.196 1.00 17.20 O ATOM 967 HA GLU A 60 4.679 16.316 9.867 1.00 0.00 H ATOM 968 HB2 GLU A 60 5.385 17.431 11.976 1.00 0.00 H ATOM 969 HB3 GLU A 60 4.746 18.966 11.342 1.00 0.00 H ATOM 970 HG2 GLU A 60 2.480 17.963 11.290 1.00 0.00 H ATOM 971 HG3 GLU A 60 3.145 16.480 12.013 1.00 0.00 H ATOM 972 H GLU A 60 6.906 18.064 10.160 1.00 0.00 H ATOM 973 N GLU A 61 4.229 19.296 8.546 1.00 19.23 N ATOM 974 CA GLU A 61 3.356 20.065 7.656 1.00 23.23 C ATOM 975 C GLU A 61 3.160 19.371 6.297 1.00 23.81 C ATOM 976 O GLU A 61 2.099 19.479 5.683 1.00 24.42 O ATOM 977 CB GLU A 61 3.851 21.524 7.517 1.00 26.29 C ATOM 978 CG GLU A 61 3.879 22.289 8.841 1.00 26.31 C ATOM 979 CD GLU A 61 4.201 23.778 8.717 1.00 24.96 C ATOM 980 OE1 GLU A 61 4.323 24.306 7.598 1.00 28.28 O ATOM 981 OE2 GLU A 61 4.326 24.435 9.760 1.00 24.77 O ATOM 982 HA GLU A 61 2.368 20.106 8.114 1.00 0.00 H ATOM 983 HB2 GLU A 61 4.861 21.508 7.106 1.00 0.00 H ATOM 984 HB3 GLU A 61 3.188 22.049 6.829 1.00 0.00 H ATOM 985 HG2 GLU A 61 2.900 22.192 9.309 1.00 0.00 H ATOM 986 HG3 GLU A 61 4.633 21.831 9.481 1.00 0.00 H ATOM 987 H GLU A 61 5.134 19.705 8.853 1.00 0.00 H ATOM 988 N GLU A 62 4.162 18.619 5.853 1.00 16.95 N ATOM 989 CA GLU A 62 4.095 17.948 4.575 1.00 16.66 C ATOM 990 C GLU A 62 3.603 16.511 4.679 1.00 17.72 C ATOM 991 O GLU A 62 3.722 15.746 3.722 1.00 24.57 O ATOM 992 CB GLU A 62 5.472 17.973 3.910 1.00 15.01 C ATOM 993 CG GLU A 62 5.896 19.364 3.446 1.00 19.26 C ATOM 994 CD GLU A 62 5.160 19.749 2.183 1.00 23.55 C ATOM 995 OE1 GLU A 62 5.524 19.205 1.115 1.00 21.73 O ATOM 996 OE2 GLU A 62 4.210 20.562 2.265 1.00 24.30 O ATOM 997 HA GLU A 62 3.367 18.489 3.970 1.00 0.00 H ATOM 998 HB2 GLU A 62 6.208 17.608 4.626 1.00 0.00 H ATOM 999 HB3 GLU A 62 5.450 17.311 3.044 1.00 0.00 H ATOM 1000 HG2 GLU A 62 5.669 20.088 4.229 1.00 0.00 H ATOM 1001 HG3 GLU A 62 6.968 19.366 3.251 1.00 0.00 H ATOM 1002 H GLU A 62 5.014 18.511 6.439 1.00 0.00 H ATOM 1003 N LEU A 63 3.062 16.138 5.827 1.00 15.98 N ATOM 1004 CA LEU A 63 2.623 14.762 6.006 1.00 19.33 C ATOM 1005 C LEU A 63 1.346 14.402 5.244 1.00 18.91 C ATOM 1006 O LEU A 63 1.268 13.309 4.731 1.00 16.91 O ATOM 1007 CB LEU A 63 2.600 14.356 7.476 1.00 14.90 C ATOM 1008 CG LEU A 63 3.971 14.132 8.144 1.00 18.69 C ATOM 1009 CD1 LEU A 63 3.756 13.761 9.594 1.00 20.48 C ATOM 1010 CD2 LEU A 63 4.765 13.051 7.453 1.00 21.31 C ATOM 1011 HA LEU A 63 3.385 14.145 5.530 1.00 0.00 H ATOM 1012 HB2 LEU A 63 2.085 15.141 8.030 1.00 0.00 H ATOM 1013 HB3 LEU A 63 2.036 13.427 7.555 1.00 0.00 H ATOM 1014 HG LEU A 63 4.543 15.057 8.067 1.00 0.00 H ATOM 1015 HD21 LEU A 63 4.210 12.114 7.490 1.00 0.00 H ATOM 1016 HD22 LEU A 63 4.934 13.334 6.414 1.00 0.00 H ATOM 1017 HD23 LEU A 63 5.723 12.927 7.957 1.00 0.00 H ATOM 1018 HD11 LEU A 63 3.227 14.569 10.100 1.00 0.00 H ATOM 1019 HD12 LEU A 63 3.165 12.847 9.650 1.00 0.00 H ATOM 1020 HD13 LEU A 63 4.722 13.601 10.074 1.00 0.00 H ATOM 1021 H LEU A 63 2.951 16.826 6.599 1.00 0.00 H ATOM 1022 N LYS A 64 0.370 15.306 5.134 1.00 23.55 N ATOM 1023 CA LYS A 64 -0.840 15.000 4.334 1.00 25.50 C ATOM 1024 C LYS A 64 -0.506 14.782 2.862 1.00 22.31 C ATOM 1025 O LYS A 64 -0.914 13.775 2.282 1.00 21.12 O ATOM 1026 CB LYS A 64 -1.974 16.031 4.473 1.00 25.48 C ATOM 1027 CG LYS A 64 -2.842 15.888 5.721 1.00 29.72 C ATOM 1028 CD LYS A 64 -3.379 14.478 5.923 1.00 30.53 C ATOM 1029 CE LYS A 64 -4.662 14.218 5.138 1.00 29.02 C ATOM 1030 NZ LYS A 64 -5.370 13.009 5.658 1.00 29.87 N ATOM 1031 HA LYS A 64 -1.218 14.070 4.759 1.00 0.00 H ATOM 1032 HB2 LYS A 64 -1.525 17.024 4.487 1.00 0.00 H ATOM 1033 HB3 LYS A 64 -2.621 15.939 3.601 1.00 0.00 H ATOM 1034 HG2 LYS A 64 -2.244 16.159 6.591 1.00 0.00 H ATOM 1035 HG3 LYS A 64 -3.687 16.571 5.635 1.00 0.00 H ATOM 1036 HD2 LYS A 64 -2.621 13.766 5.598 1.00 0.00 H ATOM 1037 HD3 LYS A 64 -3.583 14.331 6.984 1.00 0.00 H ATOM 1038 HE2 LYS A 64 -4.413 14.062 4.088 1.00 0.00 H ATOM 1039 HE3 LYS A 64 -5.318 15.083 5.230 1.00 0.00 H ATOM 1040 HZ1 LYS A 64 -4.749 12.180 5.568 1.00 0.00 H ATOM 1041 HZ2 LYS A 64 -5.613 13.155 6.659 1.00 0.00 H ATOM 1042 HZ3 LYS A 64 -6.239 12.854 5.108 1.00 0.00 H ATOM 1043 H LYS A 64 0.459 16.226 5.610 1.00 0.00 H ATOM 1044 N PRO A 65 0.230 15.719 2.263 1.00 19.46 N ATOM 1045 CA PRO A 65 0.674 15.567 0.874 1.00 21.34 C ATOM 1046 C PRO A 65 1.393 14.235 0.677 1.00 17.10 C ATOM 1047 O PRO A 65 1.186 13.582 -0.336 1.00 18.25 O ATOM 1048 CB PRO A 65 1.627 16.742 0.681 1.00 22.12 C ATOM 1049 CG PRO A 65 1.179 17.763 1.670 1.00 24.59 C ATOM 1050 CD PRO A 65 0.662 17.000 2.852 1.00 23.31 C ATOM 1051 HA PRO A 65 -0.147 15.565 0.157 1.00 0.00 H ATOM 1052 HD3 PRO A 65 1.447 16.845 3.592 1.00 0.00 H ATOM 1053 HD2 PRO A 65 -0.176 17.519 3.317 1.00 0.00 H ATOM 1054 HG3 PRO A 65 0.389 18.381 1.244 1.00 0.00 H ATOM 1055 HG2 PRO A 65 2.015 18.397 1.965 1.00 0.00 H ATOM 1056 HB2 PRO A 65 2.655 16.440 0.880 1.00 0.00 H ATOM 1057 HB3 PRO A 65 1.555 17.133 -0.334 1.00 0.00 H ATOM 1058 N LEU A 66 2.210 13.834 1.646 1.00 17.87 N ATOM 1059 CA LEU A 66 2.911 12.549 1.582 1.00 17.92 C ATOM 1060 C LEU A 66 1.868 11.433 1.581 1.00 21.46 C ATOM 1061 O LEU A 66 1.898 10.523 0.747 1.00 16.87 O ATOM 1062 CB LEU A 66 3.843 12.372 2.783 1.00 16.60 C ATOM 1063 CG LEU A 66 4.649 11.067 2.833 1.00 17.89 C ATOM 1064 CD1 LEU A 66 5.509 10.911 1.575 1.00 20.78 C ATOM 1065 CD2 LEU A 66 5.532 11.013 4.059 1.00 18.24 C ATOM 1066 HA LEU A 66 3.516 12.515 0.676 1.00 0.00 H ATOM 1067 HB2 LEU A 66 4.552 13.200 2.778 1.00 0.00 H ATOM 1068 HB3 LEU A 66 3.234 12.421 3.686 1.00 0.00 H ATOM 1069 HG LEU A 66 3.934 10.246 2.882 1.00 0.00 H ATOM 1070 HD21 LEU A 66 6.229 11.851 4.041 1.00 0.00 H ATOM 1071 HD22 LEU A 66 4.913 11.073 4.954 1.00 0.00 H ATOM 1072 HD23 LEU A 66 6.089 10.076 4.063 1.00 0.00 H ATOM 1073 HD11 LEU A 66 4.865 10.894 0.696 1.00 0.00 H ATOM 1074 HD12 LEU A 66 6.201 11.750 1.503 1.00 0.00 H ATOM 1075 HD13 LEU A 66 6.071 9.979 1.634 1.00 0.00 H ATOM 1076 H LEU A 66 2.356 14.449 2.472 1.00 0.00 H ATOM 1077 N GLU A 67 0.909 11.518 2.504 1.00 24.55 N ATOM 1078 CA GLU A 67 -0.118 10.481 2.579 1.00 27.52 C ATOM 1079 C GLU A 67 -0.938 10.403 1.288 1.00 27.49 C ATOM 1080 O GLU A 67 -1.228 9.309 0.794 1.00 30.92 O ATOM 1081 CB GLU A 67 -1.059 10.682 3.782 1.00 23.58 C ATOM 1082 CG GLU A 67 -2.149 9.610 3.865 1.00 25.27 C ATOM 1083 CD GLU A 67 -3.343 10.008 4.720 1.00 25.45 C ATOM 1084 OE1 GLU A 67 -3.559 11.217 4.947 1.00 25.23 O ATOM 1085 OE2 GLU A 67 -4.063 9.105 5.195 1.00 26.29 O ATOM 1086 HA GLU A 67 0.412 9.538 2.715 1.00 0.00 H ATOM 1087 HB2 GLU A 67 -0.467 10.650 4.697 1.00 0.00 H ATOM 1088 HB3 GLU A 67 -1.536 11.658 3.693 1.00 0.00 H ATOM 1089 HG2 GLU A 67 -2.504 9.402 2.855 1.00 0.00 H ATOM 1090 HG3 GLU A 67 -1.710 8.706 4.288 1.00 0.00 H ATOM 1091 H GLU A 67 0.892 12.319 3.167 1.00 0.00 H ATOM 1092 N GLU A 68 -1.304 11.565 0.748 1.00 25.22 N ATOM 1093 CA GLU A 68 -2.110 11.631 -0.474 1.00 33.60 C ATOM 1094 C GLU A 68 -1.436 10.926 -1.638 1.00 36.57 C ATOM 1095 O GLU A 68 -2.014 10.029 -2.258 1.00 34.09 O ATOM 1096 CB GLU A 68 -2.379 13.066 -0.905 1.00 37.45 C ATOM 1097 CG GLU A 68 -3.180 13.936 0.045 1.00 47.68 C ATOM 1098 CD GLU A 68 -3.323 15.332 -0.526 1.00 54.95 C ATOM 1099 OE1 GLU A 68 -2.386 15.752 -1.245 1.00 59.14 O ATOM 1100 OE2 GLU A 68 -4.357 16.000 -0.286 1.00 57.47 O ATOM 1101 HA GLU A 68 -3.048 11.134 -0.226 1.00 0.00 H ATOM 1102 HB2 GLU A 68 -1.414 13.549 -1.058 1.00 0.00 H ATOM 1103 HB3 GLU A 68 -2.919 13.029 -1.851 1.00 0.00 H ATOM 1104 HG2 GLU A 68 -4.169 13.501 0.186 1.00 0.00 H ATOM 1105 HG3 GLU A 68 -2.667 13.989 1.005 1.00 0.00 H ATOM 1106 H GLU A 68 -1.009 12.450 1.207 1.00 0.00 H ATOM 1107 N VAL A 69 -0.209 11.331 -1.936 1.00 34.40 N ATOM 1108 CA VAL A 69 0.488 10.723 -3.052 1.00 33.19 C ATOM 1109 C VAL A 69 0.683 9.229 -2.834 1.00 32.96 C ATOM 1110 O VAL A 69 0.629 8.459 -3.788 1.00 40.87 O ATOM 1111 CB VAL A 69 1.815 11.459 -3.420 1.00 33.26 C ATOM 1112 CG1 VAL A 69 2.901 11.188 -2.412 1.00 33.60 C ATOM 1113 CG2 VAL A 69 2.271 11.049 -4.808 1.00 31.09 C ATOM 1114 HA VAL A 69 -0.153 10.840 -3.926 1.00 0.00 H ATOM 1115 HB VAL A 69 1.615 12.531 -3.409 1.00 0.00 H ATOM 1116 HG11 VAL A 69 2.578 11.533 -1.430 1.00 0.00 H ATOM 1117 HG12 VAL A 69 3.101 10.117 -2.374 1.00 0.00 H ATOM 1118 HG13 VAL A 69 3.807 11.718 -2.705 1.00 0.00 H ATOM 1119 HG21 VAL A 69 2.440 9.972 -4.830 1.00 0.00 H ATOM 1120 HG22 VAL A 69 1.502 11.312 -5.534 1.00 0.00 H ATOM 1121 HG23 VAL A 69 3.197 11.569 -5.053 1.00 0.00 H ATOM 1122 H VAL A 69 0.249 12.077 -1.375 1.00 0.00 H ATOM 1123 N LEU A 70 0.862 8.808 -1.588 1.00 27.03 N ATOM 1124 CA LEU A 70 1.036 7.394 -1.290 1.00 31.27 C ATOM 1125 C LEU A 70 -0.251 6.570 -1.400 1.00 32.00 C ATOM 1126 O LEU A 70 -0.195 5.367 -1.675 1.00 32.88 O ATOM 1127 CB LEU A 70 1.632 7.191 0.097 1.00 30.66 C ATOM 1128 CG LEU A 70 3.131 7.403 0.279 1.00 32.35 C ATOM 1129 CD1 LEU A 70 3.487 7.127 1.730 1.00 31.20 C ATOM 1130 CD2 LEU A 70 3.968 6.527 -0.671 1.00 29.95 C ATOM 1131 HA LEU A 70 1.722 7.031 -2.055 1.00 0.00 H ATOM 1132 HB2 LEU A 70 1.124 7.881 0.771 1.00 0.00 H ATOM 1133 HB3 LEU A 70 1.412 6.166 0.396 1.00 0.00 H ATOM 1134 HG LEU A 70 3.369 8.436 0.025 1.00 0.00 H ATOM 1135 HD21 LEU A 70 3.751 5.476 -0.480 1.00 0.00 H ATOM 1136 HD22 LEU A 70 3.716 6.770 -1.703 1.00 0.00 H ATOM 1137 HD23 LEU A 70 5.028 6.717 -0.500 1.00 0.00 H ATOM 1138 HD11 LEU A 70 2.934 7.810 2.375 1.00 0.00 H ATOM 1139 HD12 LEU A 70 3.224 6.099 1.978 1.00 0.00 H ATOM 1140 HD13 LEU A 70 4.557 7.275 1.875 1.00 0.00 H ATOM 1141 H LEU A 70 0.878 9.500 -0.812 1.00 0.00 H ATOM 1142 N ASN A 71 -1.398 7.190 -1.149 1.00 32.77 N ATOM 1143 CA ASN A 71 -2.656 6.467 -1.288 1.00 38.35 C ATOM 1144 C ASN A 71 -2.840 6.199 -2.771 1.00 44.55 C ATOM 1145 O ASN A 71 -3.166 5.082 -3.179 1.00 46.89 O ATOM 1146 CB ASN A 71 -3.844 7.238 -0.690 1.00 39.34 C ATOM 1147 CG ASN A 71 -3.978 7.031 0.810 1.00 39.14 C ATOM 1148 OD1 ASN A 71 -4.205 7.977 1.568 1.00 37.89 O ATOM 1149 ND2 ASN A 71 -3.830 5.786 1.245 1.00 35.89 N ATOM 1150 HA ASN A 71 -2.621 5.533 -0.728 1.00 0.00 H ATOM 1151 HB2 ASN A 71 -3.705 8.301 -0.885 1.00 0.00 H ATOM 1152 HB3 ASN A 71 -4.760 6.898 -1.173 1.00 0.00 H ATOM 1153 HD22 ASN A 71 -3.639 5.018 0.570 1.00 0.00 H ATOM 1154 HD21 ASN A 71 -3.905 5.578 2.261 1.00 0.00 H ATOM 1155 H ASN A 71 -1.399 8.187 -0.854 1.00 0.00 H ATOM 1156 N LEU A 72 -2.574 7.222 -3.576 1.00 48.50 N ATOM 1157 CA LEU A 72 -2.644 7.107 -5.029 1.00 52.10 C ATOM 1158 C LEU A 72 -1.810 5.940 -5.581 1.00 54.85 C ATOM 1159 O LEU A 72 -2.224 5.267 -6.523 1.00 56.28 O ATOM 1160 CB LEU A 72 -2.211 8.422 -5.684 1.00 49.16 C ATOM 1161 CG LEU A 72 -3.146 9.625 -5.555 1.00 46.55 C ATOM 1162 CD1 LEU A 72 -2.544 10.835 -6.246 1.00 46.32 C ATOM 1163 CD2 LEU A 72 -4.516 9.333 -6.131 1.00 45.55 C ATOM 1164 HA LEU A 72 -3.684 6.895 -5.278 1.00 0.00 H ATOM 1165 HB2 LEU A 72 -1.254 8.705 -5.244 1.00 0.00 H ATOM 1166 HB3 LEU A 72 -2.077 8.227 -6.748 1.00 0.00 H ATOM 1167 HG LEU A 72 -3.266 9.836 -4.492 1.00 0.00 H ATOM 1168 HD21 LEU A 72 -4.419 9.085 -7.188 1.00 0.00 H ATOM 1169 HD22 LEU A 72 -4.961 8.493 -5.598 1.00 0.00 H ATOM 1170 HD23 LEU A 72 -5.150 10.212 -6.020 1.00 0.00 H ATOM 1171 HD11 LEU A 72 -1.586 11.076 -5.785 1.00 0.00 H ATOM 1172 HD12 LEU A 72 -2.394 10.611 -7.302 1.00 0.00 H ATOM 1173 HD13 LEU A 72 -3.221 11.683 -6.146 1.00 0.00 H ATOM 1174 H LEU A 72 -2.307 8.135 -3.156 1.00 0.00 H ATOM 1175 N ALA A 73 -0.654 5.686 -4.979 1.00 56.80 N ATOM 1176 CA ALA A 73 0.252 4.634 -5.451 1.00 61.31 C ATOM 1177 C ALA A 73 0.278 3.348 -4.624 1.00 65.45 C ATOM 1178 O ALA A 73 1.359 2.840 -4.327 1.00 68.84 O ATOM 1179 CB ALA A 73 1.671 5.186 -5.550 1.00 59.44 C ATOM 1180 HA ALA A 73 -0.149 4.344 -6.422 1.00 0.00 H ATOM 1181 HB1 ALA A 73 1.687 6.020 -6.252 1.00 0.00 H ATOM 1182 HB2 ALA A 73 1.995 5.530 -4.568 1.00 0.00 H ATOM 1183 HB3 ALA A 73 2.341 4.401 -5.901 1.00 0.00 H ATOM 1184 H ALA A 73 -0.383 6.250 -4.148 1.00 0.00 H ATOM 1185 N GLN A 74 -0.875 2.808 -4.249 1.00 66.25 N ATOM 1186 CA GLN A 74 -0.857 1.569 -3.473 1.00 65.37 C ATOM 1187 C GLN A 74 -1.602 0.441 -4.174 1.00 65.08 C ATOM 1188 O GLN A 74 -0.990 -0.540 -4.592 1.00 64.32 O ATOM 1189 CB GLN A 74 -1.389 1.780 -2.051 1.00 66.39 C ATOM 1190 CG GLN A 74 -2.840 2.246 -1.976 1.00 66.02 C ATOM 1191 CD GLN A 74 -3.387 2.285 -0.550 1.00 65.06 C ATOM 1192 OE1 GLN A 74 -4.209 3.145 -0.221 1.00 63.53 O ATOM 1193 NE2 GLN A 74 -2.943 1.350 0.290 1.00 63.30 N ATOM 1194 HA GLN A 74 0.188 1.268 -3.395 1.00 0.00 H ATOM 1195 HB2 GLN A 74 -1.307 0.835 -1.514 1.00 0.00 H ATOM 1196 HB3 GLN A 74 -0.766 2.529 -1.563 1.00 0.00 H ATOM 1197 HG2 GLN A 74 -2.905 3.248 -2.400 1.00 0.00 H ATOM 1198 HG3 GLN A 74 -3.454 1.564 -2.564 1.00 0.00 H ATOM 1199 HE22 GLN A 74 -2.250 0.646 -0.035 1.00 0.00 H ATOM 1200 HE21 GLN A 74 -3.290 1.324 1.270 1.00 0.00 H ATOM 1201 H GLN A 74 -1.777 3.259 -4.503 1.00 0.00 H TER 1202 GLN A 74 ATOM 1203 N ARG A 81 -1.058 0.241 5.612 1.00 51.10 N ATOM 1204 CA ARG A 81 -2.068 1.238 5.284 1.00 53.34 C ATOM 1205 C ARG A 81 -1.487 2.640 5.465 1.00 53.46 C ATOM 1206 O ARG A 81 -1.053 3.011 6.559 1.00 52.77 O ATOM 1207 CB ARG A 81 -3.293 1.048 6.145 1.00 55.03 C ATOM 1208 HA ARG A 81 -2.366 1.116 4.243 1.00 0.00 H ATOM 1209 HB2 ARG A 81 -3.706 0.054 5.973 1.00 0.00 H ATOM 1210 HB3 ARG A 81 -3.018 1.152 7.194 1.00 0.00 H ATOM 1211 HN3 ARG A 81 -0.758 0.365 6.600 1.00 0.00 H ATOM 1212 HN2 ARG A 81 -0.239 0.359 4.982 1.00 0.00 H ATOM 1213 HN1 ARG A 81 -1.459 -0.711 5.487 1.00 0.00 H ATOM 1214 N PRO A 82 -1.453 3.402 4.379 1.00 53.20 N ATOM 1215 CA PRO A 82 -0.861 4.746 4.380 1.00 49.93 C ATOM 1216 C PRO A 82 -1.304 5.620 5.554 1.00 45.49 C ATOM 1217 O PRO A 82 -0.450 6.230 6.193 1.00 40.95 O ATOM 1218 CB PRO A 82 -1.307 5.319 3.040 1.00 52.75 C ATOM 1219 CG PRO A 82 -1.407 4.102 2.161 1.00 53.16 C ATOM 1220 CD PRO A 82 -1.955 3.015 3.050 1.00 53.24 C ATOM 1221 HA PRO A 82 0.221 4.710 4.503 1.00 0.00 H ATOM 1222 HD3 PRO A 82 -3.045 3.002 3.029 1.00 0.00 H ATOM 1223 HD2 PRO A 82 -1.575 2.037 2.755 1.00 0.00 H ATOM 1224 HG3 PRO A 82 -0.425 3.825 1.779 1.00 0.00 H ATOM 1225 HG2 PRO A 82 -2.081 4.288 1.325 1.00 0.00 H ATOM 1226 HB2 PRO A 82 -2.272 5.817 3.130 1.00 0.00 H ATOM 1227 HB3 PRO A 82 -0.571 6.023 2.651 1.00 0.00 H ATOM 1228 N ARG A 83 -2.600 5.666 5.836 1.00 45.70 N ATOM 1229 CA ARG A 83 -3.108 6.432 6.969 1.00 47.23 C ATOM 1230 C ARG A 83 -2.385 6.040 8.251 1.00 42.60 C ATOM 1231 O ARG A 83 -1.978 6.899 9.037 1.00 41.03 O ATOM 1232 CB ARG A 83 -4.604 6.194 7.139 1.00 55.49 C ATOM 1233 CG ARG A 83 -5.189 6.886 8.353 1.00 63.69 C ATOM 1234 CD ARG A 83 -6.096 6.004 9.193 1.00 68.73 C ATOM 1235 NE ARG A 83 -7.357 5.702 8.523 1.00 72.70 N ATOM 1236 CZ ARG A 83 -8.358 6.566 8.384 1.00 74.00 C ATOM 1237 NH1 ARG A 83 -8.260 7.797 8.867 1.00 74.11 N ATOM 1238 NH2 ARG A 83 -9.468 6.202 7.763 1.00 74.05 N ATOM 1239 HA ARG A 83 -2.929 7.489 6.770 1.00 0.00 H ATOM 1240 HB2 ARG A 83 -5.116 6.563 6.250 1.00 0.00 H ATOM 1241 HB3 ARG A 83 -4.775 5.122 7.236 1.00 0.00 H ATOM 1242 HG2 ARG A 83 -4.367 7.229 8.981 1.00 0.00 H ATOM 1243 HG3 ARG A 83 -5.767 7.745 8.012 1.00 0.00 H ATOM 1244 HD2 ARG A 83 -6.312 6.516 10.131 1.00 0.00 H ATOM 1245 HD3 ARG A 83 -5.578 5.068 9.402 1.00 0.00 H ATOM 1246 HE ARG A 83 -7.481 4.748 8.128 1.00 0.00 H ATOM 1247 HH12 ARG A 83 -9.049 8.465 8.753 1.00 0.00 H ATOM 1248 HH11 ARG A 83 -7.394 8.095 9.360 1.00 0.00 H ATOM 1249 HH22 ARG A 83 -10.250 6.879 7.655 1.00 0.00 H ATOM 1250 HH21 ARG A 83 -9.559 5.238 7.382 1.00 0.00 H ATOM 1251 H ARG A 83 -3.269 5.144 5.235 1.00 0.00 H ATOM 1252 N ASP A 84 -2.223 4.734 8.445 1.00 40.03 N ATOM 1253 CA ASP A 84 -1.550 4.189 9.621 1.00 37.57 C ATOM 1254 C ASP A 84 -0.063 4.511 9.718 1.00 33.11 C ATOM 1255 O ASP A 84 0.419 4.878 10.785 1.00 31.99 O ATOM 1256 CB ASP A 84 -1.762 2.679 9.696 1.00 39.74 C ATOM 1257 CG ASP A 84 -3.212 2.326 9.833 1.00 47.07 C ATOM 1258 OD1 ASP A 84 -3.920 3.057 10.553 1.00 46.41 O ATOM 1259 OD2 ASP A 84 -3.744 1.367 9.242 1.00 52.16 O ATOM 1260 HA ASP A 84 -2.012 4.687 10.473 1.00 0.00 H ATOM 1261 HB2 ASP A 84 -1.372 2.222 8.786 1.00 0.00 H ATOM 1262 HB3 ASP A 84 -1.221 2.289 10.558 1.00 0.00 H ATOM 1263 H ASP A 84 -2.591 4.074 7.730 1.00 0.00 H ATOM 1264 N LEU A 85 0.667 4.363 8.619 1.00 29.94 N ATOM 1265 CA LEU A 85 2.091 4.669 8.636 1.00 28.69 C ATOM 1266 C LEU A 85 2.337 6.165 8.845 1.00 27.27 C ATOM 1267 O LEU A 85 3.216 6.545 9.616 1.00 26.79 O ATOM 1268 CB LEU A 85 2.782 4.189 7.356 1.00 31.13 C ATOM 1269 CG LEU A 85 4.245 4.608 7.169 1.00 33.82 C ATOM 1270 CD1 LEU A 85 5.085 4.318 8.403 1.00 32.25 C ATOM 1271 CD2 LEU A 85 4.842 3.931 5.944 1.00 35.15 C ATOM 1272 HA LEU A 85 2.525 4.131 9.479 1.00 0.00 H ATOM 1273 HB2 LEU A 85 2.746 3.100 7.349 1.00 0.00 H ATOM 1274 HB3 LEU A 85 2.216 4.576 6.509 1.00 0.00 H ATOM 1275 HG LEU A 85 4.256 5.687 7.017 1.00 0.00 H ATOM 1276 HD21 LEU A 85 4.797 2.849 6.070 1.00 0.00 H ATOM 1277 HD22 LEU A 85 4.275 4.219 5.059 1.00 0.00 H ATOM 1278 HD23 LEU A 85 5.881 4.241 5.829 1.00 0.00 H ATOM 1279 HD11 LEU A 85 4.680 4.866 9.254 1.00 0.00 H ATOM 1280 HD12 LEU A 85 5.062 3.249 8.614 1.00 0.00 H ATOM 1281 HD13 LEU A 85 6.113 4.632 8.223 1.00 0.00 H ATOM 1282 H LEU A 85 0.220 4.027 7.742 1.00 0.00 H ATOM 1283 N ILE A 86 1.560 7.004 8.171 1.00 20.37 N ATOM 1284 CA ILE A 86 1.728 8.450 8.301 1.00 27.46 C ATOM 1285 C ILE A 86 1.391 8.918 9.723 1.00 27.36 C ATOM 1286 O ILE A 86 2.076 9.770 10.297 1.00 29.65 O ATOM 1287 CB ILE A 86 0.856 9.197 7.276 1.00 25.20 C ATOM 1288 CG1 ILE A 86 1.323 8.915 5.847 1.00 27.54 C ATOM 1289 CG2 ILE A 86 0.869 10.699 7.570 1.00 25.14 C ATOM 1290 CD1 ILE A 86 2.754 9.353 5.543 1.00 28.96 C ATOM 1291 HA ILE A 86 2.774 8.681 8.102 1.00 0.00 H ATOM 1292 HB ILE A 86 -0.168 8.834 7.365 1.00 0.00 H ATOM 1293 HG12 ILE A 86 1.252 7.841 5.672 1.00 0.00 H ATOM 1294 HG13 ILE A 86 0.655 9.438 5.162 1.00 0.00 H ATOM 1295 HD11 ILE A 86 2.844 10.428 5.697 1.00 0.00 H ATOM 1296 HD12 ILE A 86 3.442 8.830 6.208 1.00 0.00 H ATOM 1297 HD13 ILE A 86 2.994 9.112 4.507 1.00 0.00 H ATOM 1298 HG21 ILE A 86 0.476 10.875 8.571 1.00 0.00 H ATOM 1299 HG22 ILE A 86 1.892 11.071 7.509 1.00 0.00 H ATOM 1300 HG23 ILE A 86 0.249 11.217 6.838 1.00 0.00 H ATOM 1301 H ILE A 86 0.822 6.628 7.542 1.00 0.00 H ATOM 1302 N SER A 87 0.328 8.353 10.285 1.00 26.85 N ATOM 1303 CA SER A 87 -0.073 8.671 11.645 1.00 30.25 C ATOM 1304 C SER A 87 1.037 8.272 12.631 1.00 30.48 C ATOM 1305 O SER A 87 1.327 8.998 13.580 1.00 32.36 O ATOM 1306 CB SER A 87 -1.406 7.988 11.959 1.00 31.32 C ATOM 1307 OG SER A 87 -1.773 8.162 13.305 1.00 39.48 O ATOM 1308 HA SER A 87 -0.221 9.746 11.749 1.00 0.00 H ATOM 1309 HB2 SER A 87 -1.315 6.922 11.752 1.00 0.00 H ATOM 1310 HB3 SER A 87 -2.181 8.415 11.323 1.00 0.00 H ATOM 1311 HG SER A 87 -1.076 7.771 13.889 1.00 0.00 H ATOM 1312 H SER A 87 -0.230 7.667 9.738 1.00 0.00 H ATOM 1313 N ASN A 88 1.680 7.137 12.382 1.00 28.17 N ATOM 1314 CA ASN A 88 2.790 6.720 13.224 1.00 29.62 C ATOM 1315 C ASN A 88 3.967 7.666 13.100 1.00 17.58 C ATOM 1316 O ASN A 88 4.620 7.942 14.088 1.00 22.01 O ATOM 1317 CB ASN A 88 3.211 5.277 12.953 1.00 34.73 C ATOM 1318 CG ASN A 88 2.220 4.275 13.522 1.00 42.69 C ATOM 1319 OD1 ASN A 88 1.562 4.547 14.525 1.00 45.18 O ATOM 1320 ND2 ASN A 88 2.106 3.117 12.883 1.00 43.05 N ATOM 1321 HA ASN A 88 2.435 6.761 14.254 1.00 0.00 H ATOM 1322 HB2 ASN A 88 3.282 5.128 11.876 1.00 0.00 H ATOM 1323 HB3 ASN A 88 4.186 5.104 13.408 1.00 0.00 H ATOM 1324 HD22 ASN A 88 2.683 2.930 12.038 1.00 0.00 H ATOM 1325 HD21 ASN A 88 1.440 2.397 13.227 1.00 0.00 H ATOM 1326 H ASN A 88 1.388 6.543 11.580 1.00 0.00 H ATOM 1327 N ILE A 89 4.217 8.200 11.905 1.00 25.98 N ATOM 1328 CA ILE A 89 5.308 9.163 11.744 1.00 21.83 C ATOM 1329 C ILE A 89 5.029 10.467 12.505 1.00 20.30 C ATOM 1330 O ILE A 89 5.926 11.065 13.109 1.00 19.03 O ATOM 1331 CB ILE A 89 5.592 9.436 10.256 1.00 25.93 C ATOM 1332 CG1 ILE A 89 6.167 8.165 9.607 1.00 24.56 C ATOM 1333 CG2 ILE A 89 6.515 10.624 10.105 1.00 20.63 C ATOM 1334 CD1 ILE A 89 6.404 8.264 8.121 1.00 23.75 C ATOM 1335 HA ILE A 89 6.203 8.718 12.179 1.00 0.00 H ATOM 1336 HB ILE A 89 4.665 9.688 9.740 1.00 0.00 H ATOM 1337 HG12 ILE A 89 7.119 7.939 10.088 1.00 0.00 H ATOM 1338 HG13 ILE A 89 5.469 7.347 9.785 1.00 0.00 H ATOM 1339 HD11 ILE A 89 5.461 8.475 7.617 1.00 0.00 H ATOM 1340 HD12 ILE A 89 7.112 9.068 7.920 1.00 0.00 H ATOM 1341 HD13 ILE A 89 6.809 7.321 7.755 1.00 0.00 H ATOM 1342 HG21 ILE A 89 6.047 11.504 10.545 1.00 0.00 H ATOM 1343 HG22 ILE A 89 7.456 10.418 10.615 1.00 0.00 H ATOM 1344 HG23 ILE A 89 6.705 10.803 9.047 1.00 0.00 H ATOM 1345 H ILE A 89 3.636 7.932 11.085 1.00 0.00 H ATOM 1346 N ASN A 90 3.785 10.917 12.454 1.00 20.01 N ATOM 1347 CA ASN A 90 3.380 12.129 13.164 1.00 19.83 C ATOM 1348 C ASN A 90 3.530 11.933 14.687 1.00 19.73 C ATOM 1349 O ASN A 90 3.972 12.845 15.398 1.00 21.33 O ATOM 1350 CB ASN A 90 1.948 12.499 12.756 1.00 18.79 C ATOM 1351 CG ASN A 90 1.626 13.993 12.901 1.00 18.99 C ATOM 1352 OD1 ASN A 90 0.795 14.514 12.157 1.00 22.79 O ATOM 1353 ND2 ASN A 90 2.277 14.679 13.844 1.00 20.10 N ATOM 1354 HA ASN A 90 4.030 12.960 12.890 1.00 0.00 H ATOM 1355 HB2 ASN A 90 1.804 12.216 11.713 1.00 0.00 H ATOM 1356 HB3 ASN A 90 1.256 11.936 13.383 1.00 0.00 H ATOM 1357 HD22 ASN A 90 2.971 14.198 14.451 1.00 0.00 H ATOM 1358 HD21 ASN A 90 2.090 15.694 13.972 1.00 0.00 H ATOM 1359 H ASN A 90 3.079 10.396 11.896 1.00 0.00 H ATOM 1360 N VAL A 91 3.180 10.741 15.177 1.00 20.62 N ATOM 1361 CA VAL A 91 3.309 10.425 16.606 1.00 19.59 C ATOM 1362 C VAL A 91 4.780 10.556 17.027 1.00 21.15 C ATOM 1363 O VAL A 91 5.103 11.200 18.017 1.00 20.89 O ATOM 1364 CB VAL A 91 2.771 9.012 16.933 1.00 23.37 C ATOM 1365 CG1 VAL A 91 3.205 8.548 18.330 1.00 20.67 C ATOM 1366 CG2 VAL A 91 1.238 8.972 16.817 1.00 23.73 C ATOM 1367 HA VAL A 91 2.704 11.135 17.170 1.00 0.00 H ATOM 1368 HB VAL A 91 3.200 8.326 16.202 1.00 0.00 H ATOM 1369 HG11 VAL A 91 4.293 8.521 18.381 1.00 0.00 H ATOM 1370 HG12 VAL A 91 2.822 9.243 19.077 1.00 0.00 H ATOM 1371 HG13 VAL A 91 2.807 7.551 18.521 1.00 0.00 H ATOM 1372 HG21 VAL A 91 0.803 9.685 17.517 1.00 0.00 H ATOM 1373 HG22 VAL A 91 0.945 9.234 15.800 1.00 0.00 H ATOM 1374 HG23 VAL A 91 0.883 7.968 17.052 1.00 0.00 H ATOM 1375 H VAL A 91 2.806 10.017 14.530 1.00 0.00 H ATOM 1376 N ILE A 92 5.677 9.973 16.241 1.00 21.40 N ATOM 1377 CA ILE A 92 7.099 10.082 16.555 1.00 19.17 C ATOM 1378 C ILE A 92 7.565 11.531 16.442 1.00 19.43 C ATOM 1379 O ILE A 92 8.300 12.005 17.304 1.00 18.95 O ATOM 1380 CB ILE A 92 7.956 9.168 15.648 1.00 22.55 C ATOM 1381 CG1 ILE A 92 7.595 7.693 15.849 1.00 24.51 C ATOM 1382 CG2 ILE A 92 9.454 9.399 15.917 1.00 19.87 C ATOM 1383 CD1 ILE A 92 7.957 7.122 17.224 1.00 29.60 C ATOM 1384 HA ILE A 92 7.233 9.748 17.584 1.00 0.00 H ATOM 1385 HB ILE A 92 7.743 9.426 14.611 1.00 0.00 H ATOM 1386 HG12 ILE A 92 6.519 7.585 15.710 1.00 0.00 H ATOM 1387 HG13 ILE A 92 8.118 7.110 15.091 1.00 0.00 H ATOM 1388 HD11 ILE A 92 9.033 7.206 17.379 1.00 0.00 H ATOM 1389 HD12 ILE A 92 7.432 7.682 17.998 1.00 0.00 H ATOM 1390 HD13 ILE A 92 7.663 6.073 17.270 1.00 0.00 H ATOM 1391 HG21 ILE A 92 9.703 10.440 15.710 1.00 0.00 H ATOM 1392 HG22 ILE A 92 9.674 9.172 16.960 1.00 0.00 H ATOM 1393 HG23 ILE A 92 10.043 8.748 15.271 1.00 0.00 H ATOM 1394 H ILE A 92 5.368 9.440 15.403 1.00 0.00 H ATOM 1395 N VAL A 93 7.148 12.225 15.379 1.00 19.82 N ATOM 1396 CA VAL A 93 7.526 13.619 15.194 1.00 22.05 C ATOM 1397 C VAL A 93 7.142 14.419 16.454 1.00 25.61 C ATOM 1398 O VAL A 93 7.961 15.134 17.015 1.00 29.32 O ATOM 1399 CB VAL A 93 6.934 14.220 13.873 1.00 20.88 C ATOM 1400 CG1 VAL A 93 6.969 15.756 13.869 1.00 17.15 C ATOM 1401 CG2 VAL A 93 7.689 13.697 12.651 1.00 21.75 C ATOM 1402 HA VAL A 93 8.607 13.686 15.070 1.00 0.00 H ATOM 1403 HB VAL A 93 5.893 13.901 13.825 1.00 0.00 H ATOM 1404 HG11 VAL A 93 6.383 16.134 14.707 1.00 0.00 H ATOM 1405 HG12 VAL A 93 8.001 16.095 13.964 1.00 0.00 H ATOM 1406 HG13 VAL A 93 6.548 16.125 12.934 1.00 0.00 H ATOM 1407 HG21 VAL A 93 8.739 13.979 12.726 1.00 0.00 H ATOM 1408 HG22 VAL A 93 7.606 12.611 12.611 1.00 0.00 H ATOM 1409 HG23 VAL A 93 7.259 14.129 11.747 1.00 0.00 H ATOM 1410 H VAL A 93 6.543 11.761 14.671 1.00 0.00 H ATOM 1411 N LEU A 94 5.900 14.264 16.913 1.00 28.32 N ATOM 1412 CA LEU A 94 5.448 14.950 18.125 1.00 30.41 C ATOM 1413 C LEU A 94 6.264 14.567 19.355 1.00 27.45 C ATOM 1414 O LEU A 94 6.583 15.415 20.182 1.00 26.97 O ATOM 1415 CB LEU A 94 3.986 14.626 18.409 1.00 32.33 C ATOM 1416 CG LEU A 94 2.947 15.579 17.829 1.00 36.11 C ATOM 1417 CD1 LEU A 94 1.562 15.055 18.153 1.00 35.60 C ATOM 1418 CD2 LEU A 94 3.158 16.945 18.423 1.00 32.34 C ATOM 1419 HA LEU A 94 5.580 16.015 17.936 1.00 0.00 H ATOM 1420 HB2 LEU A 94 3.784 13.633 18.008 1.00 0.00 H ATOM 1421 HB3 LEU A 94 3.855 14.613 19.491 1.00 0.00 H ATOM 1422 HG LEU A 94 3.048 15.648 16.746 1.00 0.00 H ATOM 1423 HD21 LEU A 94 3.046 16.890 19.506 1.00 0.00 H ATOM 1424 HD22 LEU A 94 4.160 17.296 18.177 1.00 0.00 H ATOM 1425 HD23 LEU A 94 2.420 17.635 18.015 1.00 0.00 H ATOM 1426 HD11 LEU A 94 1.438 14.064 17.715 1.00 0.00 H ATOM 1427 HD12 LEU A 94 1.442 14.993 19.235 1.00 0.00 H ATOM 1428 HD13 LEU A 94 0.813 15.732 17.741 1.00 0.00 H ATOM 1429 H LEU A 94 5.240 13.644 16.401 1.00 0.00 H ATOM 1430 N GLU A 95 6.573 13.282 19.493 1.00 24.86 N ATOM 1431 CA GLU A 95 7.337 12.830 20.650 1.00 27.56 C ATOM 1432 C GLU A 95 8.740 13.429 20.656 1.00 28.54 C ATOM 1433 O GLU A 95 9.276 13.760 21.712 1.00 34.92 O ATOM 1434 CB GLU A 95 7.397 11.299 20.708 1.00 30.87 C ATOM 1435 CG GLU A 95 6.107 10.634 21.199 1.00 36.83 C ATOM 1436 CD GLU A 95 5.620 11.237 22.507 1.00 39.26 C ATOM 1437 OE1 GLU A 95 6.268 10.984 23.538 1.00 36.88 O ATOM 1438 OE2 GLU A 95 4.615 11.988 22.509 1.00 40.01 O ATOM 1439 HA GLU A 95 6.820 13.182 21.543 1.00 0.00 H ATOM 1440 HB2 GLU A 95 7.613 10.928 19.706 1.00 0.00 H ATOM 1441 HB3 GLU A 95 8.205 11.014 21.381 1.00 0.00 H ATOM 1442 HG2 GLU A 95 5.334 10.763 20.442 1.00 0.00 H ATOM 1443 HG3 GLU A 95 6.293 9.571 21.349 1.00 0.00 H ATOM 1444 H GLU A 95 6.269 12.596 18.773 1.00 0.00 H ATOM 1445 N LEU A 96 9.328 13.553 19.473 1.00 27.14 N ATOM 1446 CA LEU A 96 10.660 14.121 19.316 1.00 25.63 C ATOM 1447 C LEU A 96 10.762 15.615 19.545 1.00 29.75 C ATOM 1448 O LEU A 96 11.668 16.087 20.235 1.00 26.30 O ATOM 1449 CB LEU A 96 11.171 13.852 17.904 1.00 26.23 C ATOM 1450 CG LEU A 96 11.833 12.490 17.718 1.00 26.07 C ATOM 1451 CD1 LEU A 96 12.123 12.241 16.249 1.00 26.78 C ATOM 1452 CD2 LEU A 96 13.107 12.455 18.550 1.00 24.91 C ATOM 1453 HA LEU A 96 11.254 13.634 20.089 1.00 0.00 H ATOM 1454 HB2 LEU A 96 10.326 13.917 17.218 1.00 0.00 H ATOM 1455 HB3 LEU A 96 11.900 14.622 17.653 1.00 0.00 H ATOM 1456 HG LEU A 96 11.165 11.697 18.054 1.00 0.00 H ATOM 1457 HD21 LEU A 96 13.779 13.245 18.216 1.00 0.00 H ATOM 1458 HD22 LEU A 96 12.858 12.608 19.600 1.00 0.00 H ATOM 1459 HD23 LEU A 96 13.593 11.487 18.428 1.00 0.00 H ATOM 1460 HD11 LEU A 96 11.189 12.263 15.687 1.00 0.00 H ATOM 1461 HD12 LEU A 96 12.792 13.016 15.876 1.00 0.00 H ATOM 1462 HD13 LEU A 96 12.595 11.265 16.133 1.00 0.00 H ATOM 1463 H LEU A 96 8.818 13.232 18.625 1.00 0.00 H ATOM 1464 N LYS A 97 9.864 16.379 18.938 1.00 27.98 N ATOM 1465 CA LYS A 97 9.991 17.831 19.065 1.00 27.92 C ATOM 1466 C LYS A 97 9.221 18.425 20.243 1.00 27.24 C ATOM 1467 O LYS A 97 9.591 19.486 20.768 1.00 23.90 O ATOM 1468 CB LYS A 97 9.670 18.557 17.751 1.00 24.74 C ATOM 1469 CG LYS A 97 8.208 18.824 17.468 1.00 31.99 C ATOM 1470 CD LYS A 97 8.061 19.973 16.479 1.00 30.41 C ATOM 1471 CE LYS A 97 6.606 20.384 16.356 1.00 29.09 C ATOM 1472 NZ LYS A 97 6.163 20.957 17.660 1.00 29.66 N ATOM 1473 HA LYS A 97 11.043 18.003 19.291 1.00 0.00 H ATOM 1474 HB2 LYS A 97 10.185 19.517 17.768 1.00 0.00 H ATOM 1475 HB3 LYS A 97 10.061 17.951 16.933 1.00 0.00 H ATOM 1476 HG2 LYS A 97 7.753 17.927 17.047 1.00 0.00 H ATOM 1477 HG3 LYS A 97 7.703 19.084 18.398 1.00 0.00 H ATOM 1478 HD2 LYS A 97 8.646 20.824 16.827 1.00 0.00 H ATOM 1479 HD3 LYS A 97 8.428 19.656 15.503 1.00 0.00 H ATOM 1480 HE2 LYS A 97 5.997 19.514 16.111 1.00 0.00 H ATOM 1481 HE3 LYS A 97 6.500 21.132 15.571 1.00 0.00 H ATOM 1482 HZ1 LYS A 97 6.268 20.240 18.406 1.00 0.00 H ATOM 1483 HZ2 LYS A 97 6.748 21.786 17.890 1.00 0.00 H ATOM 1484 HZ3 LYS A 97 5.166 21.244 17.590 1.00 0.00 H ATOM 1485 H LYS A 97 9.090 15.957 18.386 1.00 0.00 H ATOM 1486 N GLY A 98 8.181 17.716 20.670 1.00 25.46 N ATOM 1487 CA GLY A 98 7.309 18.190 21.720 1.00 28.51 C ATOM 1488 C GLY A 98 6.337 19.155 21.075 1.00 29.57 C ATOM 1489 O GLY A 98 6.520 19.538 19.923 1.00 30.00 O ATOM 1490 HA3 GLY A 98 7.889 18.699 22.490 1.00 0.00 H ATOM 1491 HA2 GLY A 98 6.769 17.355 22.166 1.00 0.00 H ATOM 1492 H GLY A 98 7.989 16.791 20.235 1.00 0.00 H ATOM 1493 N SER A 99 5.286 19.523 21.800 1.00 31.61 N ATOM 1494 CA SER A 99 4.295 20.461 21.283 1.00 28.99 C ATOM 1495 C SER A 99 4.496 21.843 21.890 1.00 27.54 C ATOM 1496 O SER A 99 3.774 22.795 21.568 1.00 29.70 O ATOM 1497 CB SER A 99 2.881 19.993 21.610 1.00 23.36 C ATOM 1498 OG SER A 99 2.653 20.011 23.010 1.00 25.13 O ATOM 1499 HA SER A 99 4.425 20.508 20.202 1.00 0.00 H ATOM 1500 HB2 SER A 99 2.746 18.977 21.239 1.00 0.00 H ATOM 1501 HB3 SER A 99 2.164 20.654 21.123 1.00 0.00 H ATOM 1502 HG SER A 99 3.299 19.408 23.456 1.00 0.00 H ATOM 1503 H SER A 99 5.167 19.134 22.757 1.00 0.00 H ATOM 1504 N GLU A 100 5.469 21.950 22.784 1.00 33.42 N ATOM 1505 CA GLU A 100 5.705 23.233 23.445 1.00 41.32 C ATOM 1506 C GLU A 100 6.487 24.198 22.579 1.00 40.07 C ATOM 1507 O GLU A 100 6.270 25.394 22.657 1.00 34.08 O ATOM 1508 CB GLU A 100 6.389 23.051 24.799 1.00 48.49 C ATOM 1509 CG GLU A 100 5.498 22.366 25.819 1.00 57.33 C ATOM 1510 CD GLU A 100 6.045 22.455 27.228 1.00 61.09 C ATOM 1511 OE1 GLU A 100 7.117 23.076 27.411 1.00 61.27 O ATOM 1512 OE2 GLU A 100 5.395 21.907 28.146 1.00 63.07 O ATOM 1513 HA GLU A 100 4.722 23.673 23.614 1.00 0.00 H ATOM 1514 HB2 GLU A 100 7.286 22.448 24.658 1.00 0.00 H ATOM 1515 HB3 GLU A 100 6.669 24.032 25.183 1.00 0.00 H ATOM 1516 HG2 GLU A 100 4.515 22.837 25.796 1.00 0.00 H ATOM 1517 HG3 GLU A 100 5.402 21.315 25.548 1.00 0.00 H ATOM 1518 H GLU A 100 6.061 21.126 23.014 1.00 0.00 H ATOM 1519 N THR A 101 7.389 23.682 21.750 1.00 45.24 N ATOM 1520 CA THR A 101 8.171 24.561 20.886 1.00 52.20 C ATOM 1521 C THR A 101 7.349 25.100 19.725 1.00 52.87 C ATOM 1522 O THR A 101 6.704 24.343 18.997 1.00 51.28 O ATOM 1523 CB THR A 101 9.407 23.845 20.319 1.00 56.82 C ATOM 1524 OG1 THR A 101 10.167 23.252 21.382 1.00 58.67 O ATOM 1525 CG2 THR A 101 10.365 24.877 19.703 1.00 59.38 C ATOM 1526 HA THR A 101 8.488 25.393 21.515 1.00 0.00 H ATOM 1527 HB THR A 101 9.052 23.109 19.598 1.00 0.00 H ATOM 1528 HG1 THR A 101 9.603 22.595 21.863 1.00 0.00 H ATOM 1529 HG23 THR A 101 9.868 25.384 18.876 1.00 0.00 H ATOM 1530 HG21 THR A 101 10.648 25.607 20.462 1.00 0.00 H ATOM 1531 HG22 THR A 101 11.257 24.369 19.336 1.00 0.00 H ATOM 1532 H THR A 101 7.537 22.653 21.717 1.00 0.00 H ATOM 1533 N THR A 102 7.384 26.414 19.559 1.00 55.18 N ATOM 1534 CA THR A 102 6.714 27.052 18.444 1.00 56.92 C ATOM 1535 C THR A 102 7.771 27.302 17.388 1.00 56.71 C ATOM 1536 O THR A 102 8.935 27.561 17.703 1.00 56.63 O ATOM 1537 CB THR A 102 6.051 28.377 18.866 1.00 58.95 C ATOM 1538 OG1 THR A 102 7.055 29.359 19.160 1.00 61.32 O ATOM 1539 CG2 THR A 102 5.301 28.209 20.185 1.00 61.62 C ATOM 1540 HA THR A 102 5.916 26.413 18.065 1.00 0.00 H ATOM 1541 HB THR A 102 5.394 28.671 18.048 1.00 0.00 H ATOM 1542 HG1 THR A 102 7.609 29.514 18.354 1.00 0.00 H ATOM 1543 HG23 THR A 102 4.508 27.472 20.059 1.00 0.00 H ATOM 1544 HG21 THR A 102 5.994 27.870 20.955 1.00 0.00 H ATOM 1545 HG22 THR A 102 4.868 29.165 20.479 1.00 0.00 H ATOM 1546 H THR A 102 7.903 27.000 20.244 1.00 0.00 H ATOM 1547 N PHE A 103 7.373 27.200 16.131 1.00 52.99 N ATOM 1548 CA PHE A 103 8.305 27.417 15.047 1.00 48.41 C ATOM 1549 C PHE A 103 7.556 27.632 13.736 1.00 46.27 C ATOM 1550 O PHE A 103 6.546 26.992 13.482 1.00 50.60 O ATOM 1551 CB PHE A 103 9.285 26.248 14.949 1.00 48.66 C ATOM 1552 CG PHE A 103 10.230 26.363 13.797 1.00 48.34 C ATOM 1553 CD1 PHE A 103 11.227 27.329 13.792 1.00 46.37 C ATOM 1554 CD2 PHE A 103 10.104 25.529 12.703 1.00 45.19 C ATOM 1555 CE1 PHE A 103 12.087 27.447 12.715 1.00 47.87 C ATOM 1556 CE2 PHE A 103 10.959 25.641 11.628 1.00 43.84 C ATOM 1557 CZ PHE A 103 11.948 26.600 11.627 1.00 48.29 C ATOM 1558 HA PHE A 103 8.882 28.319 15.250 1.00 0.00 H ATOM 1559 HB2 PHE A 103 9.866 26.205 15.870 1.00 0.00 H ATOM 1560 HB3 PHE A 103 8.714 25.326 14.838 1.00 0.00 H ATOM 1561 HD2 PHE A 103 9.319 24.773 12.690 1.00 0.00 H ATOM 1562 HE2 PHE A 103 10.852 24.969 10.776 1.00 0.00 H ATOM 1563 HZ PHE A 103 12.619 26.692 10.773 1.00 0.00 H ATOM 1564 HE1 PHE A 103 12.871 28.204 12.722 1.00 0.00 H ATOM 1565 HD1 PHE A 103 11.333 28.000 14.644 1.00 0.00 H ATOM 1566 H PHE A 103 6.383 26.962 15.921 1.00 0.00 H ATOM 1567 N MET A 104 8.033 28.566 12.923 1.00 44.59 N ATOM 1568 CA MET A 104 7.421 28.837 11.635 1.00 42.85 C ATOM 1569 C MET A 104 8.359 28.374 10.530 1.00 38.86 C ATOM 1570 O MET A 104 9.481 28.860 10.391 1.00 30.83 O ATOM 1571 CB MET A 104 7.096 30.321 11.462 1.00 48.26 C ATOM 1572 CG MET A 104 6.140 30.580 10.306 1.00 51.44 C ATOM 1573 SD MET A 104 6.160 32.270 9.729 1.00 57.36 S ATOM 1574 CE MET A 104 7.621 32.257 8.653 1.00 57.36 C ATOM 1575 HA MET A 104 6.480 28.290 11.580 1.00 0.00 H ATOM 1576 HB2 MET A 104 6.640 30.688 12.381 1.00 0.00 H ATOM 1577 HB3 MET A 104 8.024 30.862 11.276 1.00 0.00 H ATOM 1578 HG2 MET A 104 5.129 30.339 10.634 1.00 0.00 H ATOM 1579 HG3 MET A 104 6.417 29.929 9.477 1.00 0.00 H ATOM 1580 HE1 MET A 104 8.500 31.988 9.239 1.00 0.00 H ATOM 1581 HE2 MET A 104 7.477 31.528 7.856 1.00 0.00 H ATOM 1582 HE3 MET A 104 7.761 33.248 8.220 1.00 0.00 H ATOM 1583 H MET A 104 8.865 29.117 13.216 1.00 0.00 H ATOM 1584 N CYS A 105 7.885 27.421 9.744 1.00 34.22 N ATOM 1585 CA CYS A 105 8.690 26.843 8.691 1.00 33.76 C ATOM 1586 C CYS A 105 8.912 27.772 7.524 1.00 34.45 C ATOM 1587 O CYS A 105 7.969 28.373 7.030 1.00 37.73 O ATOM 1588 CB CYS A 105 7.997 25.590 8.180 1.00 29.76 C ATOM 1589 SG CYS A 105 8.125 24.230 9.337 1.00 32.01 S ATOM 1590 HA CYS A 105 9.667 26.627 9.122 1.00 0.00 H ATOM 1591 HB2 CYS A 105 8.456 25.294 7.237 1.00 0.00 H ATOM 1592 HB3 CYS A 105 6.943 25.813 8.015 1.00 0.00 H ATOM 1593 H CYS A 105 6.913 27.080 9.887 1.00 0.00 H ATOM 1594 N GLU A 106 10.158 27.865 7.069 1.00 34.64 N ATOM 1595 CA GLU A 106 10.466 28.617 5.863 1.00 38.70 C ATOM 1596 C GLU A 106 10.885 27.610 4.802 1.00 34.72 C ATOM 1597 O GLU A 106 11.848 26.873 4.983 1.00 36.38 O ATOM 1598 CB GLU A 106 11.558 29.661 6.120 1.00 43.15 C ATOM 1599 CG GLU A 106 11.063 30.900 6.854 1.00 49.84 C ATOM 1600 CD GLU A 106 12.102 31.471 7.798 1.00 55.16 C ATOM 1601 OE1 GLU A 106 13.082 30.759 8.103 1.00 56.22 O ATOM 1602 OE2 GLU A 106 11.934 32.626 8.244 1.00 58.71 O ATOM 1603 HA GLU A 106 9.593 29.177 5.526 1.00 0.00 H ATOM 1604 HB2 GLU A 106 12.343 29.198 6.718 1.00 0.00 H ATOM 1605 HB3 GLU A 106 11.970 29.972 5.160 1.00 0.00 H ATOM 1606 HG2 GLU A 106 10.803 31.661 6.119 1.00 0.00 H ATOM 1607 HG3 GLU A 106 10.176 30.634 7.429 1.00 0.00 H ATOM 1608 H GLU A 106 10.927 27.391 7.585 1.00 0.00 H ATOM 1609 N TYR A 107 10.143 27.555 3.703 1.00 33.09 N ATOM 1610 CA TYR A 107 10.434 26.593 2.651 1.00 30.66 C ATOM 1611 C TYR A 107 11.260 27.227 1.537 1.00 32.09 C ATOM 1612 O TYR A 107 11.186 28.432 1.304 1.00 32.60 O ATOM 1613 CB TYR A 107 9.130 25.965 2.124 1.00 24.42 C ATOM 1614 CG TYR A 107 8.403 25.160 3.189 1.00 23.91 C ATOM 1615 CD1 TYR A 107 8.833 23.884 3.530 1.00 18.66 C ATOM 1616 CD2 TYR A 107 7.324 25.698 3.891 1.00 23.91 C ATOM 1617 CE1 TYR A 107 8.201 23.155 4.504 1.00 20.20 C ATOM 1618 CE2 TYR A 107 6.680 24.976 4.872 1.00 24.31 C ATOM 1619 CZ TYR A 107 7.123 23.700 5.179 1.00 23.73 C ATOM 1620 OH TYR A 107 6.519 22.957 6.165 1.00 20.53 O ATOM 1621 HA TYR A 107 11.040 25.790 3.071 1.00 0.00 H ATOM 1622 HB3 TYR A 107 9.371 25.306 1.290 1.00 0.00 H ATOM 1623 HB2 TYR A 107 8.472 26.762 1.777 1.00 0.00 H ATOM 1624 HD2 TYR A 107 6.984 26.707 3.659 1.00 0.00 H ATOM 1625 HE2 TYR A 107 5.830 25.405 5.402 1.00 0.00 H ATOM 1626 HE1 TYR A 107 8.546 22.150 4.746 1.00 0.00 H ATOM 1627 HD1 TYR A 107 9.690 23.454 3.013 1.00 0.00 H ATOM 1628 HH TYR A 107 6.971 22.079 6.239 1.00 0.00 H ATOM 1629 H TYR A 107 9.342 28.209 3.592 1.00 0.00 H ATOM 1630 N ALA A 108 12.081 26.422 0.877 1.00 30.33 N ATOM 1631 CA ALA A 108 12.862 26.918 -0.242 1.00 32.76 C ATOM 1632 C ALA A 108 11.906 27.153 -1.390 1.00 36.76 C ATOM 1633 O ALA A 108 10.769 26.671 -1.374 1.00 32.37 O ATOM 1634 CB ALA A 108 13.910 25.920 -0.640 1.00 32.65 C ATOM 1635 HA ALA A 108 13.373 27.841 0.033 1.00 0.00 H ATOM 1636 HB1 ALA A 108 14.576 25.739 0.203 1.00 0.00 H ATOM 1637 HB2 ALA A 108 13.429 24.986 -0.931 1.00 0.00 H ATOM 1638 HB3 ALA A 108 14.483 26.312 -1.480 1.00 0.00 H ATOM 1639 H ALA A 108 12.166 25.426 1.163 1.00 0.00 H ATOM 1640 N ASP A 109 12.365 27.896 -2.386 1.00 37.08 N ATOM 1641 CA ASP A 109 11.539 28.188 -3.544 1.00 41.80 C ATOM 1642 C ASP A 109 11.342 26.937 -4.378 1.00 38.27 C ATOM 1643 O ASP A 109 10.224 26.638 -4.817 1.00 32.86 O ATOM 1644 CB ASP A 109 12.187 29.278 -4.398 1.00 49.50 C ATOM 1645 CG ASP A 109 12.189 30.638 -3.713 1.00 54.72 C ATOM 1646 OD1 ASP A 109 11.409 30.835 -2.751 1.00 53.99 O ATOM 1647 OD2 ASP A 109 12.935 31.574 -4.083 1.00 56.12 O ATOM 1648 HA ASP A 109 10.569 28.540 -3.194 1.00 0.00 H ATOM 1649 HB2 ASP A 109 13.218 28.991 -4.607 1.00 0.00 H ATOM 1650 HB3 ASP A 109 11.637 29.360 -5.335 1.00 0.00 H ATOM 1651 H ASP A 109 13.332 28.276 -2.338 1.00 0.00 H ATOM 1652 N GLU A 110 12.433 26.209 -4.587 1.00 33.06 N ATOM 1653 CA GLU A 110 12.403 24.983 -5.371 1.00 36.49 C ATOM 1654 C GLU A 110 11.777 23.821 -4.602 1.00 32.60 C ATOM 1655 O GLU A 110 12.202 23.483 -3.495 1.00 23.47 O ATOM 1656 CB GLU A 110 13.813 24.598 -5.806 1.00 42.49 C ATOM 1657 CG GLU A 110 14.456 25.580 -6.779 1.00 53.12 C ATOM 1658 CD GLU A 110 14.112 25.291 -8.237 1.00 56.93 C ATOM 1659 OE1 GLU A 110 14.644 24.307 -8.798 1.00 59.05 O ATOM 1660 OE2 GLU A 110 13.313 26.047 -8.827 1.00 59.34 O ATOM 1661 HA GLU A 110 11.784 25.181 -6.246 1.00 0.00 H ATOM 1662 HB2 GLU A 110 14.441 24.536 -4.917 1.00 0.00 H ATOM 1663 HB3 GLU A 110 13.768 23.620 -6.286 1.00 0.00 H ATOM 1664 HG2 GLU A 110 14.114 26.585 -6.534 1.00 0.00 H ATOM 1665 HG3 GLU A 110 15.538 25.527 -6.661 1.00 0.00 H ATOM 1666 H GLU A 110 13.336 26.524 -4.178 1.00 0.00 H ATOM 1667 N THR A 111 10.747 23.226 -5.185 1.00 30.45 N ATOM 1668 CA THR A 111 10.139 22.053 -4.580 1.00 33.43 C ATOM 1669 C THR A 111 10.940 20.841 -5.020 1.00 27.23 C ATOM 1670 O THR A 111 11.854 20.966 -5.836 1.00 31.77 O ATOM 1671 CB THR A 111 8.676 21.908 -4.989 1.00 31.48 C ATOM 1672 OG1 THR A 111 8.568 22.082 -6.400 1.00 32.08 O ATOM 1673 CG2 THR A 111 7.856 23.028 -4.411 1.00 31.46 C ATOM 1674 HA THR A 111 10.153 22.149 -3.494 1.00 0.00 H ATOM 1675 HB THR A 111 8.333 20.932 -4.647 1.00 0.00 H ATOM 1676 HG1 THR A 111 7.620 21.989 -6.671 1.00 0.00 H ATOM 1677 HG23 THR A 111 7.883 22.972 -3.323 1.00 0.00 H ATOM 1678 HG21 THR A 111 8.267 23.983 -4.737 1.00 0.00 H ATOM 1679 HG22 THR A 111 6.826 22.938 -4.756 1.00 0.00 H ATOM 1680 H THR A 111 10.372 23.600 -6.080 1.00 0.00 H ATOM 1681 N ALA A 112 10.595 19.680 -4.488 1.00 24.78 N ATOM 1682 CA ALA A 112 11.340 18.456 -4.750 1.00 21.70 C ATOM 1683 C ALA A 112 10.447 17.240 -4.963 1.00 21.01 C ATOM 1684 O ALA A 112 9.260 17.223 -4.571 1.00 22.82 O ATOM 1685 CB ALA A 112 12.289 18.191 -3.595 1.00 26.28 C ATOM 1686 HA ALA A 112 11.888 18.610 -5.679 1.00 0.00 H ATOM 1687 HB1 ALA A 112 12.981 19.027 -3.496 1.00 0.00 H ATOM 1688 HB2 ALA A 112 11.717 18.081 -2.674 1.00 0.00 H ATOM 1689 HB3 ALA A 112 12.848 17.275 -3.788 1.00 0.00 H ATOM 1690 H ALA A 112 9.765 19.640 -3.863 1.00 0.00 H ATOM 1691 N THR A 113 11.003 16.211 -5.586 1.00 12.05 N ATOM 1692 CA THR A 113 10.262 14.961 -5.711 1.00 11.31 C ATOM 1693 C THR A 113 10.183 14.242 -4.368 1.00 11.86 C ATOM 1694 O THR A 113 10.858 14.590 -3.404 1.00 19.38 O ATOM 1695 CB THR A 113 10.859 13.986 -6.748 1.00 14.45 C ATOM 1696 OG1 THR A 113 11.986 13.314 -6.169 1.00 15.22 O ATOM 1697 CG2 THR A 113 11.373 14.726 -7.968 1.00 17.94 C ATOM 1698 HA THR A 113 9.270 15.250 -6.057 1.00 0.00 H ATOM 1699 HB THR A 113 10.071 13.291 -7.038 1.00 0.00 H ATOM 1700 HG1 THR A 113 12.371 12.688 -6.832 1.00 0.00 H ATOM 1701 HG23 THR A 113 10.548 15.255 -8.445 1.00 0.00 H ATOM 1702 HG21 THR A 113 12.137 15.441 -7.663 1.00 0.00 H ATOM 1703 HG22 THR A 113 11.802 14.012 -8.670 1.00 0.00 H ATOM 1704 H THR A 113 11.961 16.294 -5.983 1.00 0.00 H ATOM 1705 N ILE A 114 9.380 13.199 -4.336 1.00 10.21 N ATOM 1706 CA ILE A 114 9.238 12.384 -3.142 1.00 14.68 C ATOM 1707 C ILE A 114 10.558 11.726 -2.746 1.00 17.09 C ATOM 1708 O ILE A 114 10.833 11.538 -1.555 1.00 16.07 O ATOM 1709 CB ILE A 114 8.141 11.305 -3.343 1.00 10.41 C ATOM 1710 CG1 ILE A 114 7.901 10.583 -2.015 1.00 12.45 C ATOM 1711 CG2 ILE A 114 8.513 10.303 -4.419 1.00 11.44 C ATOM 1712 CD1 ILE A 114 6.734 9.566 -2.038 1.00 19.65 C ATOM 1713 HA ILE A 114 8.939 13.047 -2.330 1.00 0.00 H ATOM 1714 HB ILE A 114 7.230 11.805 -3.672 1.00 0.00 H ATOM 1715 HG12 ILE A 114 8.813 10.049 -1.748 1.00 0.00 H ATOM 1716 HG13 ILE A 114 7.684 11.333 -1.254 1.00 0.00 H ATOM 1717 HD11 ILE A 114 5.808 10.083 -2.290 1.00 0.00 H ATOM 1718 HD12 ILE A 114 6.938 8.798 -2.784 1.00 0.00 H ATOM 1719 HD13 ILE A 114 6.638 9.103 -1.056 1.00 0.00 H ATOM 1720 HG21 ILE A 114 8.654 10.824 -5.366 1.00 0.00 H ATOM 1721 HG22 ILE A 114 9.438 9.798 -4.140 1.00 0.00 H ATOM 1722 HG23 ILE A 114 7.714 9.569 -4.522 1.00 0.00 H ATOM 1723 H ILE A 114 8.834 12.953 -5.186 1.00 0.00 H ATOM 1724 N VAL A 115 11.362 11.373 -3.743 1.00 15.87 N ATOM 1725 CA VAL A 115 12.660 10.748 -3.475 1.00 16.85 C ATOM 1726 C VAL A 115 13.590 11.718 -2.772 1.00 11.56 C ATOM 1727 O VAL A 115 14.246 11.347 -1.790 1.00 13.35 O ATOM 1728 CB VAL A 115 13.339 10.223 -4.742 1.00 19.50 C ATOM 1729 CG1 VAL A 115 14.766 9.706 -4.429 1.00 18.30 C ATOM 1730 CG2 VAL A 115 12.512 9.105 -5.328 1.00 18.73 C ATOM 1731 HA VAL A 115 12.458 9.894 -2.829 1.00 0.00 H ATOM 1732 HB VAL A 115 13.418 11.040 -5.459 1.00 0.00 H ATOM 1733 HG11 VAL A 115 15.365 10.520 -4.021 1.00 0.00 H ATOM 1734 HG12 VAL A 115 14.706 8.897 -3.701 1.00 0.00 H ATOM 1735 HG13 VAL A 115 15.227 9.338 -5.346 1.00 0.00 H ATOM 1736 HG21 VAL A 115 12.426 8.298 -4.600 1.00 0.00 H ATOM 1737 HG22 VAL A 115 11.519 9.480 -5.576 1.00 0.00 H ATOM 1738 HG23 VAL A 115 12.996 8.731 -6.230 1.00 0.00 H ATOM 1739 H VAL A 115 11.067 11.542 -4.726 1.00 0.00 H ATOM 1740 N GLU A 116 13.635 12.950 -3.286 1.00 11.27 N ATOM 1741 CA GLU A 116 14.455 14.021 -2.693 1.00 14.89 C ATOM 1742 C GLU A 116 13.988 14.445 -1.323 1.00 16.15 C ATOM 1743 O GLU A 116 14.802 14.756 -0.439 1.00 13.87 O ATOM 1744 CB GLU A 116 14.597 15.214 -3.656 1.00 12.48 C ATOM 1745 CG GLU A 116 15.222 14.725 -4.966 1.00 25.66 C ATOM 1746 CD GLU A 116 14.917 15.531 -6.226 1.00 28.81 C ATOM 1747 OE1 GLU A 116 14.131 16.527 -6.214 1.00 29.92 O ATOM 1748 OE2 GLU A 116 15.469 15.111 -7.271 1.00 27.61 O ATOM 1749 HA GLU A 116 15.448 13.599 -2.540 1.00 0.00 H ATOM 1750 HB2 GLU A 116 13.614 15.641 -3.856 1.00 0.00 H ATOM 1751 HB3 GLU A 116 15.237 15.973 -3.206 1.00 0.00 H ATOM 1752 HG2 GLU A 116 16.304 14.721 -4.832 1.00 0.00 H ATOM 1753 HG3 GLU A 116 14.874 13.706 -5.136 1.00 0.00 H ATOM 1754 H GLU A 116 13.072 13.161 -4.134 1.00 0.00 H ATOM 1755 N PHE A 117 12.667 14.454 -1.146 1.00 16.40 N ATOM 1756 CA PHE A 117 12.053 14.812 0.127 1.00 13.84 C ATOM 1757 C PHE A 117 12.425 13.789 1.207 1.00 14.59 C ATOM 1758 O PHE A 117 12.861 14.157 2.302 1.00 17.84 O ATOM 1759 CB PHE A 117 10.528 14.898 -0.086 1.00 13.51 C ATOM 1760 CG PHE A 117 9.723 15.008 1.157 1.00 15.63 C ATOM 1761 CD1 PHE A 117 9.537 16.227 1.776 1.00 14.15 C ATOM 1762 CD2 PHE A 117 9.040 13.905 1.647 1.00 19.31 C ATOM 1763 CE1 PHE A 117 8.738 16.327 2.891 1.00 11.71 C ATOM 1764 CE2 PHE A 117 8.233 14.007 2.763 1.00 18.60 C ATOM 1765 CZ PHE A 117 8.092 15.216 3.386 1.00 14.26 C ATOM 1766 HA PHE A 117 12.420 15.778 0.473 1.00 0.00 H ATOM 1767 HB2 PHE A 117 10.322 15.774 -0.701 1.00 0.00 H ATOM 1768 HB3 PHE A 117 10.210 14.000 -0.616 1.00 0.00 H ATOM 1769 HD2 PHE A 117 9.142 12.943 1.144 1.00 0.00 H ATOM 1770 HE2 PHE A 117 7.712 13.129 3.145 1.00 0.00 H ATOM 1771 HZ PHE A 117 7.468 15.301 4.275 1.00 0.00 H ATOM 1772 HE1 PHE A 117 8.615 17.291 3.385 1.00 0.00 H ATOM 1773 HD1 PHE A 117 10.026 17.116 1.379 1.00 0.00 H ATOM 1774 H PHE A 117 12.052 14.196 -1.944 1.00 0.00 H ATOM 1775 N LEU A 118 12.304 12.507 0.874 1.00 11.89 N ATOM 1776 CA LEU A 118 12.640 11.442 1.809 1.00 15.23 C ATOM 1777 C LEU A 118 14.145 11.419 2.112 1.00 12.09 C ATOM 1778 O LEU A 118 14.537 11.356 3.289 1.00 12.10 O ATOM 1779 CB LEU A 118 12.158 10.078 1.308 1.00 15.45 C ATOM 1780 CG LEU A 118 10.662 9.912 1.084 1.00 19.03 C ATOM 1781 CD1 LEU A 118 10.350 8.600 0.368 1.00 14.65 C ATOM 1782 CD2 LEU A 118 9.856 10.022 2.386 1.00 17.72 C ATOM 1783 HA LEU A 118 12.115 11.653 2.741 1.00 0.00 H ATOM 1784 HB2 LEU A 118 12.656 9.881 0.359 1.00 0.00 H ATOM 1785 HB3 LEU A 118 12.466 9.331 2.040 1.00 0.00 H ATOM 1786 HG LEU A 118 10.353 10.738 0.443 1.00 0.00 H ATOM 1787 HD21 LEU A 118 10.180 9.246 3.079 1.00 0.00 H ATOM 1788 HD22 LEU A 118 10.022 11.002 2.833 1.00 0.00 H ATOM 1789 HD23 LEU A 118 8.796 9.896 2.167 1.00 0.00 H ATOM 1790 HD11 LEU A 118 10.850 8.589 -0.601 1.00 0.00 H ATOM 1791 HD12 LEU A 118 10.706 7.765 0.971 1.00 0.00 H ATOM 1792 HD13 LEU A 118 9.273 8.513 0.224 1.00 0.00 H ATOM 1793 H LEU A 118 11.961 12.259 -0.076 1.00 0.00 H ATOM 1794 N ASN A 119 14.971 11.526 1.072 1.00 13.61 N ATOM 1795 CA ASN A 119 16.419 11.521 1.277 1.00 18.90 C ATOM 1796 C ASN A 119 16.820 12.626 2.258 1.00 16.07 C ATOM 1797 O ASN A 119 17.646 12.407 3.134 1.00 21.87 O ATOM 1798 CB ASN A 119 17.237 11.675 -0.033 1.00 15.11 C ATOM 1799 CG ASN A 119 17.214 10.419 -0.941 1.00 19.55 C ATOM 1800 OD1 ASN A 119 17.512 10.505 -2.130 1.00 20.00 O ATOM 1801 ND2 ASN A 119 16.871 9.281 -0.386 1.00 19.01 N ATOM 1802 HA ASN A 119 16.659 10.539 1.686 1.00 0.00 H ATOM 1803 HB2 ASN A 119 16.828 12.513 -0.597 1.00 0.00 H ATOM 1804 HB3 ASN A 119 18.273 11.888 0.232 1.00 0.00 H ATOM 1805 HD22 ASN A 119 16.625 9.248 0.624 1.00 0.00 H ATOM 1806 HD21 ASN A 119 16.845 8.412 -0.956 1.00 0.00 H ATOM 1807 H ASN A 119 14.584 11.613 0.110 1.00 0.00 H ATOM 1808 N ARG A 120 16.233 13.807 2.115 1.00 17.33 N ATOM 1809 CA ARG A 120 16.548 14.940 2.984 1.00 23.48 C ATOM 1810 C ARG A 120 16.167 14.690 4.447 1.00 22.26 C ATOM 1811 O ARG A 120 16.952 14.980 5.356 1.00 17.93 O ATOM 1812 CB ARG A 120 15.889 16.226 2.462 1.00 25.38 C ATOM 1813 CG ARG A 120 16.159 17.482 3.294 1.00 33.42 C ATOM 1814 CD ARG A 120 17.444 18.233 2.940 1.00 37.93 C ATOM 1815 NE ARG A 120 17.392 18.816 1.595 1.00 45.06 N ATOM 1816 CZ ARG A 120 16.850 19.995 1.293 1.00 46.50 C ATOM 1817 NH1 ARG A 120 16.300 20.751 2.238 1.00 48.33 N ATOM 1818 NH2 ARG A 120 16.855 20.420 0.035 1.00 47.00 N ATOM 1819 HA ARG A 120 17.631 15.062 2.959 1.00 0.00 H ATOM 1820 HB2 ARG A 120 16.255 16.406 1.451 1.00 0.00 H ATOM 1821 HB3 ARG A 120 14.811 16.065 2.434 1.00 0.00 H ATOM 1822 HG2 ARG A 120 15.320 18.165 3.157 1.00 0.00 H ATOM 1823 HG3 ARG A 120 16.218 17.187 4.342 1.00 0.00 H ATOM 1824 HD2 ARG A 120 18.282 17.538 2.990 1.00 0.00 H ATOM 1825 HD3 ARG A 120 17.594 19.033 3.664 1.00 0.00 H ATOM 1826 HE ARG A 120 17.810 18.267 0.817 1.00 0.00 H ATOM 1827 HH12 ARG A 120 15.880 21.670 1.990 1.00 0.00 H ATOM 1828 HH11 ARG A 120 16.290 20.424 3.225 1.00 0.00 H ATOM 1829 HH22 ARG A 120 16.433 21.340 -0.205 1.00 0.00 H ATOM 1830 HH21 ARG A 120 17.281 19.833 -0.710 1.00 0.00 H ATOM 1831 H ARG A 120 15.527 13.931 1.362 1.00 0.00 H ATOM 1832 N TRP A 121 14.967 14.166 4.678 1.00 16.85 N ATOM 1833 CA TRP A 121 14.546 13.844 6.028 1.00 16.59 C ATOM 1834 C TRP A 121 15.256 12.655 6.648 1.00 17.81 C ATOM 1835 O TRP A 121 15.429 12.631 7.866 1.00 16.20 O ATOM 1836 CB TRP A 121 13.020 13.779 6.155 1.00 13.63 C ATOM 1837 CG TRP A 121 12.418 15.140 6.032 1.00 9.35 C ATOM 1838 CD1 TRP A 121 11.668 15.608 4.997 1.00 14.22 C ATOM 1839 CD2 TRP A 121 12.526 16.216 6.964 1.00 13.46 C ATOM 1840 NE1 TRP A 121 11.265 16.895 5.239 1.00 13.11 N ATOM 1841 CE2 TRP A 121 11.794 17.301 6.435 1.00 14.88 C ATOM 1842 CE3 TRP A 121 13.163 16.376 8.201 1.00 12.25 C ATOM 1843 CZ2 TRP A 121 11.680 18.521 7.092 1.00 14.30 C ATOM 1844 CZ3 TRP A 121 13.059 17.609 8.857 1.00 15.19 C ATOM 1845 CH2 TRP A 121 12.301 18.649 8.305 1.00 17.21 C ATOM 1846 HA TRP A 121 14.876 14.684 6.639 1.00 0.00 H ATOM 1847 HB2 TRP A 121 12.623 13.140 5.367 1.00 0.00 H ATOM 1848 HB3 TRP A 121 12.760 13.360 7.127 1.00 0.00 H ATOM 1849 HE1 TRP A 121 10.659 17.468 4.618 1.00 0.00 H ATOM 1850 HD1 TRP A 121 11.422 15.038 4.101 1.00 0.00 H ATOM 1851 HZ2 TRP A 121 11.116 19.346 6.657 1.00 0.00 H ATOM 1852 HH2 TRP A 121 12.203 19.585 8.856 1.00 0.00 H ATOM 1853 HZ3 TRP A 121 13.573 17.761 9.806 1.00 0.00 H ATOM 1854 HE3 TRP A 121 13.729 15.557 8.645 1.00 0.00 H ATOM 1855 H TRP A 121 14.323 13.985 3.882 1.00 0.00 H ATOM 1856 N ILE A 122 15.706 11.714 5.815 1.00 17.00 N ATOM 1857 CA ILE A 122 16.529 10.609 6.278 1.00 17.47 C ATOM 1858 C ILE A 122 17.871 11.196 6.730 1.00 17.71 C ATOM 1859 O ILE A 122 18.340 10.914 7.814 1.00 15.18 O ATOM 1860 CB ILE A 122 16.712 9.526 5.182 1.00 13.61 C ATOM 1861 CG1 ILE A 122 15.480 8.629 5.092 1.00 14.64 C ATOM 1862 CG2 ILE A 122 17.904 8.599 5.481 1.00 11.54 C ATOM 1863 CD1 ILE A 122 15.292 8.090 3.706 1.00 14.60 C ATOM 1864 HA ILE A 122 16.042 10.101 7.110 1.00 0.00 H ATOM 1865 HB ILE A 122 16.878 10.069 4.252 1.00 0.00 H ATOM 1866 HG12 ILE A 122 15.598 7.795 5.784 1.00 0.00 H ATOM 1867 HG13 ILE A 122 14.599 9.208 5.370 1.00 0.00 H ATOM 1868 HD11 ILE A 122 15.167 8.919 3.009 1.00 0.00 H ATOM 1869 HD12 ILE A 122 16.167 7.504 3.423 1.00 0.00 H ATOM 1870 HD13 ILE A 122 14.406 7.456 3.681 1.00 0.00 H ATOM 1871 HG21 ILE A 122 18.818 9.190 5.532 1.00 0.00 H ATOM 1872 HG22 ILE A 122 17.741 8.096 6.434 1.00 0.00 H ATOM 1873 HG23 ILE A 122 17.994 7.857 4.688 1.00 0.00 H ATOM 1874 H ILE A 122 15.461 11.773 4.806 1.00 0.00 H ATOM 1875 N THR A 123 18.444 12.068 5.911 1.00 14.83 N ATOM 1876 CA THR A 123 19.692 12.726 6.270 1.00 20.50 C ATOM 1877 C THR A 123 19.574 13.509 7.591 1.00 19.05 C ATOM 1878 O THR A 123 20.472 13.487 8.444 1.00 16.96 O ATOM 1879 CB THR A 123 20.121 13.614 5.102 1.00 20.81 C ATOM 1880 OG1 THR A 123 20.597 12.771 4.041 1.00 19.46 O ATOM 1881 CG2 THR A 123 21.326 14.462 5.484 1.00 22.60 C ATOM 1882 HA THR A 123 20.461 11.975 6.450 1.00 0.00 H ATOM 1883 HB THR A 123 19.268 14.232 4.822 1.00 0.00 H ATOM 1884 HG1 THR A 123 19.871 12.162 3.755 1.00 0.00 H ATOM 1885 HG23 THR A 123 21.051 15.139 6.293 1.00 0.00 H ATOM 1886 HG21 THR A 123 22.137 13.812 5.813 1.00 0.00 H ATOM 1887 HG22 THR A 123 21.651 15.040 4.619 1.00 0.00 H ATOM 1888 H THR A 123 17.995 12.285 4.998 1.00 0.00 H ATOM 1889 N PHE A 124 18.446 14.186 7.757 1.00 15.29 N ATOM 1890 CA PHE A 124 18.139 14.914 8.963 1.00 18.20 C ATOM 1891 C PHE A 124 18.164 14.001 10.177 1.00 19.64 C ATOM 1892 O PHE A 124 18.832 14.309 11.175 1.00 18.91 O ATOM 1893 CB PHE A 124 16.764 15.625 8.850 1.00 16.95 C ATOM 1894 CG PHE A 124 16.325 16.285 10.129 1.00 21.06 C ATOM 1895 CD1 PHE A 124 16.706 17.586 10.421 1.00 20.49 C ATOM 1896 CD2 PHE A 124 15.576 15.589 11.052 1.00 21.30 C ATOM 1897 CE1 PHE A 124 16.321 18.192 11.601 1.00 24.30 C ATOM 1898 CE2 PHE A 124 15.193 16.171 12.232 1.00 22.46 C ATOM 1899 CZ PHE A 124 15.567 17.482 12.515 1.00 25.28 C ATOM 1900 HA PHE A 124 18.909 15.674 9.092 1.00 0.00 H ATOM 1901 HB2 PHE A 124 16.832 16.387 8.073 1.00 0.00 H ATOM 1902 HB3 PHE A 124 16.015 14.886 8.568 1.00 0.00 H ATOM 1903 HD2 PHE A 124 15.284 14.560 10.841 1.00 0.00 H ATOM 1904 HE2 PHE A 124 14.596 15.608 12.949 1.00 0.00 H ATOM 1905 HZ PHE A 124 15.266 17.946 13.454 1.00 0.00 H ATOM 1906 HE1 PHE A 124 16.610 19.222 11.809 1.00 0.00 H ATOM 1907 HD1 PHE A 124 17.318 18.139 9.709 1.00 0.00 H ATOM 1908 H PHE A 124 17.752 14.192 6.983 1.00 0.00 H ATOM 1909 N CYS A 125 17.417 12.898 10.119 1.00 13.94 N ATOM 1910 CA CYS A 125 17.403 11.962 11.238 1.00 12.31 C ATOM 1911 C CYS A 125 18.834 11.499 11.559 1.00 20.41 C ATOM 1912 O CYS A 125 19.300 11.573 12.709 1.00 20.21 O ATOM 1913 CB CYS A 125 16.487 10.784 10.953 1.00 14.68 C ATOM 1914 SG CYS A 125 14.739 11.260 10.848 1.00 20.03 S ATOM 1915 HA CYS A 125 17.007 12.473 12.115 1.00 0.00 H ATOM 1916 HB2 CYS A 125 16.601 10.052 11.753 1.00 0.00 H ATOM 1917 HB3 CYS A 125 16.783 10.334 10.005 1.00 0.00 H ATOM 1918 HG CYS A 125 14.574 12.178 9.831 1.00 0.00 H ATOM 1919 H CYS A 125 16.843 12.704 9.274 1.00 0.00 H ATOM 1920 N GLN A 126 19.535 11.054 10.526 1.00 17.73 N ATOM 1921 CA GLN A 126 20.912 10.615 10.704 1.00 11.47 C ATOM 1922 C GLN A 126 21.760 11.662 11.417 1.00 13.00 C ATOM 1923 O GLN A 126 22.495 11.335 12.338 1.00 16.17 O ATOM 1924 CB GLN A 126 21.486 10.181 9.370 1.00 15.72 C ATOM 1925 CG GLN A 126 20.985 8.794 9.015 1.00 17.01 C ATOM 1926 CD GLN A 126 21.191 8.379 7.579 1.00 19.81 C ATOM 1927 OE1 GLN A 126 21.162 7.195 7.301 1.00 26.09 O ATOM 1928 NE2 GLN A 126 21.341 9.338 6.661 1.00 21.54 N ATOM 1929 HA GLN A 126 20.925 9.748 11.364 1.00 0.00 H ATOM 1930 HB2 GLN A 126 21.177 10.885 8.598 1.00 0.00 H ATOM 1931 HB3 GLN A 126 22.574 10.167 9.433 1.00 0.00 H ATOM 1932 HG2 GLN A 126 21.504 8.076 9.650 1.00 0.00 H ATOM 1933 HG3 GLN A 126 19.916 8.758 9.226 1.00 0.00 H ATOM 1934 HE22 GLN A 126 21.359 10.337 6.951 1.00 0.00 H ATOM 1935 HE21 GLN A 126 21.439 9.086 5.657 1.00 0.00 H ATOM 1936 H GLN A 126 19.099 11.018 9.582 1.00 0.00 H ATOM 1937 N SER A 127 21.670 12.908 10.948 1.00 16.31 N ATOM 1938 CA SER A 127 22.372 14.055 11.496 1.00 22.25 C ATOM 1939 C SER A 127 22.134 14.296 12.987 1.00 23.19 C ATOM 1940 O SER A 127 23.085 14.524 13.727 1.00 23.88 O ATOM 1941 CB SER A 127 22.006 15.301 10.686 1.00 18.18 C ATOM 1942 OG SER A 127 22.594 16.481 11.196 1.00 27.73 O ATOM 1943 HA SER A 127 23.436 13.835 11.413 1.00 0.00 H ATOM 1944 HB2 SER A 127 20.922 15.418 10.699 1.00 0.00 H ATOM 1945 HB3 SER A 127 22.343 15.160 9.659 1.00 0.00 H ATOM 1946 HG SER A 127 22.324 17.251 10.636 1.00 0.00 H ATOM 1947 H SER A 127 21.051 13.070 10.128 1.00 0.00 H ATOM 1948 N ILE A 128 20.879 14.246 13.440 1.00 21.69 N ATOM 1949 CA ILE A 128 20.617 14.438 14.867 1.00 20.18 C ATOM 1950 C ILE A 128 21.214 13.268 15.640 1.00 26.50 C ATOM 1951 O ILE A 128 21.861 13.452 16.671 1.00 26.52 O ATOM 1952 CB ILE A 128 19.093 14.532 15.171 1.00 15.54 C ATOM 1953 CG1 ILE A 128 18.415 15.504 14.211 1.00 18.95 C ATOM 1954 CG2 ILE A 128 18.869 14.971 16.636 1.00 17.03 C ATOM 1955 CD1 ILE A 128 18.956 16.929 14.299 1.00 19.67 C ATOM 1956 HA ILE A 128 21.075 15.379 15.173 1.00 0.00 H ATOM 1957 HB ILE A 128 18.648 13.547 15.030 1.00 0.00 H ATOM 1958 HG12 ILE A 128 18.561 15.142 13.193 1.00 0.00 H ATOM 1959 HG13 ILE A 128 17.349 15.525 14.438 1.00 0.00 H ATOM 1960 HD11 ILE A 128 18.807 17.311 15.309 1.00 0.00 H ATOM 1961 HD12 ILE A 128 20.020 16.927 14.063 1.00 0.00 H ATOM 1962 HD13 ILE A 128 18.426 17.562 13.587 1.00 0.00 H ATOM 1963 HG21 ILE A 128 19.323 14.241 17.306 1.00 0.00 H ATOM 1964 HG22 ILE A 128 19.327 15.947 16.795 1.00 0.00 H ATOM 1965 HG23 ILE A 128 17.799 15.033 16.836 1.00 0.00 H ATOM 1966 H ILE A 128 20.092 14.072 12.783 1.00 0.00 H ATOM 1967 N ILE A 129 20.988 12.058 15.136 1.00 21.30 N ATOM 1968 CA ILE A 129 21.527 10.867 15.790 1.00 22.68 C ATOM 1969 C ILE A 129 23.023 11.026 16.064 1.00 24.00 C ATOM 1970 O ILE A 129 23.494 10.867 17.189 1.00 26.18 O ATOM 1971 CB ILE A 129 21.214 9.608 14.983 1.00 17.50 C ATOM 1972 CG1 ILE A 129 19.729 9.265 15.116 1.00 15.21 C ATOM 1973 CG2 ILE A 129 22.023 8.418 15.504 1.00 19.71 C ATOM 1974 CD1 ILE A 129 19.232 8.279 14.080 1.00 14.00 C ATOM 1975 HA ILE A 129 21.036 10.752 16.756 1.00 0.00 H ATOM 1976 HB ILE A 129 21.472 9.802 13.942 1.00 0.00 H ATOM 1977 HG12 ILE A 129 19.562 8.838 16.105 1.00 0.00 H ATOM 1978 HG13 ILE A 129 19.154 10.186 15.018 1.00 0.00 H ATOM 1979 HD11 ILE A 129 19.380 8.696 13.084 1.00 0.00 H ATOM 1980 HD12 ILE A 129 19.789 7.346 14.171 1.00 0.00 H ATOM 1981 HD13 ILE A 129 18.171 8.088 14.242 1.00 0.00 H ATOM 1982 HG21 ILE A 129 23.087 8.638 15.417 1.00 0.00 H ATOM 1983 HG22 ILE A 129 21.772 8.239 16.549 1.00 0.00 H ATOM 1984 HG23 ILE A 129 21.784 7.532 14.915 1.00 0.00 H ATOM 1985 H ILE A 129 20.423 11.958 14.269 1.00 0.00 H ATOM 1986 N SER A 130 23.755 11.386 15.025 1.00 24.43 N ATOM 1987 CA SER A 130 25.178 11.634 15.105 1.00 29.16 C ATOM 1988 C SER A 130 25.610 12.613 16.211 1.00 28.29 C ATOM 1989 O SER A 130 26.712 12.492 16.739 1.00 29.35 O ATOM 1990 CB SER A 130 25.638 12.133 13.732 1.00 29.07 C ATOM 1991 OG SER A 130 26.971 12.574 13.743 1.00 39.70 O ATOM 1992 HA SER A 130 25.656 10.695 15.382 1.00 0.00 H ATOM 1993 HB2 SER A 130 24.997 12.961 13.427 1.00 0.00 H ATOM 1994 HB3 SER A 130 25.544 11.319 13.014 1.00 0.00 H ATOM 1995 HG SER A 130 27.065 13.319 14.388 1.00 0.00 H ATOM 1996 H SER A 130 23.285 11.497 14.104 1.00 0.00 H ATOM 1997 N THR A 131 24.771 13.588 16.561 1.00 26.61 N ATOM 1998 CA THR A 131 25.141 14.547 17.606 1.00 30.07 C ATOM 1999 C THR A 131 24.902 14.017 19.014 1.00 33.51 C ATOM 2000 O THR A 131 25.189 14.711 19.987 1.00 33.99 O ATOM 2001 CB THR A 131 24.344 15.862 17.509 1.00 32.18 C ATOM 2002 OG1 THR A 131 22.949 15.572 17.670 1.00 29.05 O ATOM 2003 CG2 THR A 131 24.464 16.504 16.145 1.00 31.96 C ATOM 2004 HA THR A 131 26.204 14.718 17.436 1.00 0.00 H ATOM 2005 HB THR A 131 24.741 16.528 18.275 1.00 0.00 H ATOM 2006 HG1 THR A 131 22.658 14.950 16.957 1.00 0.00 H ATOM 2007 HG23 THR A 131 25.507 16.754 15.953 1.00 0.00 H ATOM 2008 HG21 THR A 131 24.110 15.808 15.385 1.00 0.00 H ATOM 2009 HG22 THR A 131 23.861 17.412 16.118 1.00 0.00 H ATOM 2010 H THR A 131 23.848 13.669 16.089 1.00 0.00 H ATOM 2011 N LEU A 132 24.330 12.828 19.135 1.00 34.24 N ATOM 2012 CA LEU A 132 24.083 12.257 20.453 1.00 43.54 C ATOM 2013 C LEU A 132 24.514 10.802 20.526 1.00 47.74 C ATOM 2014 O LEU A 132 25.686 10.497 20.314 1.00 49.12 O ATOM 2015 CB LEU A 132 22.618 12.409 20.863 1.00 45.77 C ATOM 2016 CG LEU A 132 21.550 12.140 19.810 1.00 45.55 C ATOM 2017 CD1 LEU A 132 21.243 10.655 19.715 1.00 44.58 C ATOM 2018 CD2 LEU A 132 20.301 12.922 20.159 1.00 44.89 C ATOM 2019 HA LEU A 132 24.691 12.819 21.162 1.00 0.00 H ATOM 2020 HB2 LEU A 132 22.439 11.721 21.690 1.00 0.00 H ATOM 2021 HB3 LEU A 132 22.482 13.434 21.209 1.00 0.00 H ATOM 2022 HG LEU A 132 21.919 12.462 18.836 1.00 0.00 H ATOM 2023 HD21 LEU A 132 19.939 12.608 21.138 1.00 0.00 H ATOM 2024 HD22 LEU A 132 20.535 13.986 20.181 1.00 0.00 H ATOM 2025 HD23 LEU A 132 19.534 12.733 19.408 1.00 0.00 H ATOM 2026 HD11 LEU A 132 22.149 10.115 19.441 1.00 0.00 H ATOM 2027 HD12 LEU A 132 20.883 10.297 20.679 1.00 0.00 H ATOM 2028 HD13 LEU A 132 20.478 10.491 18.956 1.00 0.00 H ATOM 2029 H LEU A 132 24.055 12.298 18.283 1.00 0.00 H TER 2030 LEU A 132 HETATM 2031 O HOH 1 9.581 19.330 4.375 1.00 21.79 O HETATM 2032 O HOH 2 -5.306 10.202 0.306 1.00 63.78 O HETATM 2033 O HOH 3 7.144 13.182 -6.148 1.00 17.85 O HETATM 2034 O HOH 4 15.483 2.737 2.144 1.00 22.75 O HETATM 2035 O HOH 5 21.460 8.960 3.962 1.00 21.40 O HETATM 2036 O HOH 6 23.305 11.208 6.586 1.00 18.64 O HETATM 2037 O HOH 7 22.070 5.717 5.160 1.00 29.24 O HETATM 2038 O HOH 8 22.904 11.433 3.602 1.00 19.59 O HETATM 2039 O HOH 9 21.636 5.030 9.380 1.00 31.92 O HETATM 2040 O HOH 10 14.249 12.943 -7.975 1.00 19.30 O HETATM 2041 O HOH 11 6.778 2.951 -0.729 1.00 36.13 O HETATM 2042 O HOH 12 -4.838 18.240 0.963 1.00 48.96 O HETATM 2043 O HOH 13 19.579 10.349 2.599 1.00 17.88 O HETATM 2044 O HOH 14 10.320 -1.386 1.509 1.00 44.12 O HETATM 2045 O HOH 15 20.140 1.189 21.250 1.00 40.64 O HETATM 2046 O HOH 16 18.378 5.527 3.085 1.00 25.86 O HETATM 2047 O HOH 17 11.449 30.601 10.991 1.00 36.61 O HETATM 2048 O HOH 18 16.000 1.584 -0.403 1.00 28.43 O HETATM 2049 O HOH 19 10.375 23.752 -1.264 1.00 34.97 O HETATM 2050 O HOH 20 9.893 15.390 -11.260 1.00 22.97 O HETATM 2051 O HOH 21 27.302 15.337 13.848 1.00 24.37 O HETATM 2052 O HOH 22 6.236 1.119 15.835 1.00 56.40 O HETATM 2053 O HOH 23 3.828 22.697 3.886 1.00 28.62 O HETATM 2054 O HOH 24 -9.441 10.308 9.398 1.00 33.36 O HETATM 2055 O HOH 25 3.418 11.856 20.010 1.00 42.61 O HETATM 2056 O HOH 26 17.106 25.107 17.434 1.00 31.47 O HETATM 2057 O HOH 27 -6.293 10.030 6.418 1.00 46.04 O HETATM 2058 O HOH 28 8.500 21.344 22.427 1.00 34.12 O HETATM 2059 O HOH 29 17.954 19.474 18.353 1.00 32.45 O HETATM 2060 O HOH 30 -5.447 13.809 -1.865 1.00 43.13 O HETATM 2061 O HOH 31 -6.848 10.776 9.036 1.00 32.57 O HETATM 2062 O HOH 32 18.301 13.204 -3.080 1.00 20.14 O HETATM 2063 O HOH 33 8.153 29.368 3.039 1.00 35.83 O HETATM 2064 O HOH 34 -4.655 18.510 3.893 1.00 64.80 O HETATM 2065 O HOH 35 16.195 28.122 14.082 1.00 43.02 O HETATM 2066 O HOH 36 -0.078 12.687 -12.624 1.00 30.85 O HETATM 2067 O HOH 37 17.919 2.754 27.876 1.00 32.75 O HETATM 2068 O HOH 38 15.384 27.104 -3.582 1.00 40.80 O HETATM 2069 O HOH 39 0.027 17.840 6.410 1.00 29.67 O HETATM 2070 O HOH 40 -1.315 17.864 -1.164 1.00 40.14 O HETATM 2071 O HOH 41 4.579 21.195 30.810 1.00 49.16 O HETATM 2072 O HOH 42 13.397 25.980 8.550 1.00 50.92 O HETATM 2073 O HOH 43 28.306 9.823 20.024 1.00 69.95 O HETATM 2074 O HOH 44 18.267 7.987 1.369 1.00 30.79 O HETATM 2075 O HOH 45 15.084 22.217 18.496 1.00 26.23 O HETATM 2076 O HOH 46 19.612 23.006 6.968 1.00 46.05 O HETATM 2077 O HOH 47 23.755 8.924 12.287 1.00 22.80 O HETATM 2078 O HOH 48 5.642 1.687 1.839 1.00 33.65 O HETATM 2079 O HOH 49 11.642 -0.749 -10.636 1.00 26.44 O HETATM 2080 O HOH 50 19.186 -0.138 23.297 1.00 36.73 O HETATM 2081 O HOH 51 21.790 7.012 11.703 1.00 36.61 O HETATM 2082 O HOH 52 -4.680 11.969 2.397 1.00 65.06 O HETATM 2083 O HOH 53 5.480 18.892 24.376 1.00 39.58 O HETATM 2084 O HOH 54 21.353 3.346 6.856 1.00 37.26 O HETATM 2085 O HOH 55 9.700 30.648 13.725 1.00 45.47 O HETATM 2086 O HOH 56 3.575 21.212 -7.682 1.00 31.96 O HETATM 2087 O HOH 57 16.783 20.717 20.391 1.00 34.48 O HETATM 2088 O HOH 58 13.866 29.728 15.616 1.00 53.20 O HETATM 2089 O HOH 59 13.289 15.462 22.371 1.00 39.37 O HETATM 2090 O HOH 60 18.013 24.046 1.896 1.00 43.90 O HETATM 2091 O HOH 61 7.686 26.973 -3.815 1.00 50.58 O HETATM 2092 O HOH 62 -4.527 5.070 3.862 1.00 42.73 O HETATM 2093 O HOH 63 0.820 25.015 -1.910 1.00 45.17 O HETATM 2094 O HOH 64 1.186 2.036 -13.000 1.00 57.63 O HETATM 2095 O HOH 65 -0.995 23.292 0.485 1.00 38.48 O HETATM 2096 O HOH 66 18.374 27.208 15.453 1.00 40.47 O HETATM 2097 O HOH 67 6.719 1.393 4.150 1.00 56.56 O HETATM 2098 O HOH 68 28.104 16.538 16.114 1.00 37.15 O HETATM 2099 O HOH 69 12.326 5.323 21.967 1.00 54.39 O HETATM 2100 O HOH 70 5.106 26.898 9.944 1.00 28.47 O HETATM 2101 O HOH 71 19.263 16.995 20.049 1.00 45.13 O HETATM 2102 O HOH 72 -4.006 2.548 -4.844 1.00 49.24 O HETATM 2103 O HOH 73 -0.375 6.324 15.088 1.00 47.81 O HETATM 2104 O HOH 74 -7.625 12.137 3.326 1.00 31.86 O HETATM 2105 O HOH 75 3.383 24.981 2.783 1.00 52.43 O HETATM 2106 O HOH 76 3.263 -0.292 -9.600 1.00 38.96 O HETATM 2107 O HOH 77 8.847 11.490 24.172 1.00 45.98 O HETATM 2108 O HOH 78 5.947 22.861 -7.044 1.00 38.80 O HETATM 2109 O HOH 79 2.112 3.282 -1.130 1.00 49.75 O HETATM 2110 O HOH 80 15.544 28.946 -1.507 1.00 55.75 O HETATM 2111 O HOH 81 18.734 16.807 22.742 1.00 60.47 O HETATM 2112 O HOH 82 24.357 3.980 23.698 1.00 67.69 O HETATM 2113 O HOH 83 5.086 26.139 -5.281 1.00 57.57 O HETATM 2114 O HOH 84 1.025 1.154 7.997 1.00 49.52 O HETATM 2115 O HOH 85 14.947 22.453 -2.258 1.00 49.92 O HETATM 2116 O HOH 86 26.939 18.869 17.498 1.00 35.14 O HETATM 2117 O HOH 87 10.554 -5.907 -2.531 1.00 50.90 O HETATM 2118 O HOH 88 22.501 6.098 2.901 1.00 56.64 O HETATM 2119 O HOH 89 -0.367 25.975 0.997 1.00 50.56 O HETATM 2120 O HOH 90 20.628 25.929 14.543 1.00 52.50 O HETATM 2121 O HOH 91 21.820 4.626 13.446 1.00 47.21 O HETATM 2122 O HOH 92 9.283 5.874 22.719 1.00 43.98 O HETATM 2123 O HOH 93 3.261 8.535 -16.493 1.00 60.32 O HETATM 2124 O HOH 94 7.354 0.524 -19.061 1.00 51.16 O HETATM 2125 O HOH 95 8.238 18.516 25.551 1.00 65.97 O HETATM 2126 O HOH 96 26.014 6.046 22.674 1.00 56.83 O HETATM 2127 O HOH 97 -6.231 1.091 6.733 1.00 47.93 O HETATM 2128 O HOH 98 15.878 16.619 22.895 1.00 47.32 O HETATM 2129 O HOH 99 8.969 20.556 28.455 1.00 50.47 O HETATM 2130 O HOH 100 10.303 33.523 -2.547 1.00 59.55 O HETATM 2131 O HOH 101 9.688 -1.629 4.050 1.00 50.58 O HETATM 2132 O HOH 102 7.706 -3.146 5.230 1.00 49.17 O HETATM 2133 O HOH 103 5.839 19.082 -11.249 1.00 42.95 O HETATM 2134 O HOH 104 -1.361 3.975 12.919 1.00 60.23 O HETATM 2135 O HOH 105 6.747 28.375 0.908 1.00 45.06 O HETATM 2136 O HOH 106 -5.032 11.931 -3.194 1.00 36.79 O HETATM 2137 O HOH 107 -0.988 4.365 -12.047 1.00 38.30 O HETATM 2138 O HOH 108 5.910 -3.839 -9.775 1.00 49.32 O HETATM 2139 O HOH 109 4.857 3.996 18.134 1.00 44.16 O HETATM 2140 O HOH 110 4.254 27.359 1.495 1.00 67.38 O HETATM 2141 O HOH 111 6.493 -1.343 -3.216 1.00 49.87 O HETATM 2142 O HOH 112 3.245 24.478 27.551 1.00 64.63 O HETATM 2143 O HOH 113 3.361 27.267 26.639 1.00 48.64 O HETATM 2144 N33 FRG A 114 2.564 20.965 0.102 1.00 -0.28 N HETATM 2145 C31 FRG A 114 2.603 20.115 -0.924 1.00 0.29 C HETATM 2146 N29 FRG A 114 1.464 20.010 -1.816 1.00 -0.26 N HETATM 2147 C28 FRG A 114 0.777 21.259 -2.263 1.00 0.06 C HETATM 2148 C27 FRG A 114 0.792 21.555 -3.768 1.00 -0.02 C HETATM 2149 C26 FRG A 114 0.765 20.334 -4.685 1.00 -0.04 C HETATM 2150 C24 FRG A 114 1.780 19.279 -4.256 1.00 0.01 C HETATM 2151 C30 FRG A 114 1.544 18.891 -2.796 1.00 0.07 C HETATM 2152 H5 FRG A 114 0.596 18.335 -2.747 1.00 0.07 H HETATM 2153 H6 FRG A 114 2.371 18.234 -2.487 1.00 0.07 H HETATM 2154 C23 FRG A 114 1.701 18.040 -5.172 1.00 0.04 C HETATM 2155 C22 FRG A 114 1.864 18.424 -6.630 1.00 0.18 C HETATM 2156 N21 FRG A 114 0.813 18.252 -7.455 1.00 -0.26 N HETATM 2157 C16 FRG A 114 0.917 18.464 -8.903 1.00 0.15 C HETATM 2158 C15 FRG A 114 -0.045 17.556 -9.642 1.00 0.02 C HETATM 2159 C12 FRG A 114 -0.043 16.092 -9.422 1.00 -0.04 C HETATM 2160 C11 FRG A 114 0.972 15.336 -9.994 1.00 -0.06 C HETATM 2161 C10 FRG A 114 0.993 13.971 -9.821 1.00 -0.05 C HETATM 2162 C9 FRG A 114 -0.010 13.371 -9.072 1.00 0.02 C HETATM 2163 C14 FRG A 114 -1.044 14.091 -8.507 1.00 -0.05 C HETATM 2164 C13 FRG A 114 -1.043 15.467 -8.680 1.00 -0.06 C HETATM 2165 H23 FRG A 114 -1.830 16.064 -8.232 1.00 0.06 H HETATM 2166 H24 FRG A 114 -1.830 13.597 -7.947 1.00 0.06 H HETATM 2167 C8 FRG A 114 0.045 11.930 -8.932 1.00 -0.07 C HETATM 2168 C7 FRG A 114 0.114 10.638 -8.862 1.00 -0.06 C HETATM 2169 C4 FRG A 114 0.160 9.195 -8.824 1.00 0.02 C HETATM 2170 C3 FRG A 114 1.016 8.567 -7.956 1.00 -0.05 C HETATM 2171 C2 FRG A 114 1.023 7.189 -7.948 1.00 -0.06 C HETATM 2172 C1 FRG A 114 0.168 6.479 -8.783 1.00 -0.06 C HETATM 2173 C6 FRG A 114 -0.693 7.128 -9.658 1.00 -0.06 C HETATM 2174 C5 FRG A 114 -0.699 8.509 -9.669 1.00 -0.05 C HETATM 2175 H27 FRG A 114 -1.367 9.050 -10.330 1.00 0.06 H HETATM 2176 H28 FRG A 114 -1.344 6.565 -10.316 1.00 0.06 H HETATM 2177 H31 FRG A 114 0.173 5.396 -8.750 1.00 0.06 H HETATM 2178 H30 FRG A 114 1.698 6.657 -7.288 1.00 0.06 H HETATM 2179 H29 FRG A 114 1.665 9.135 -7.299 1.00 0.06 H HETATM 2180 H26 FRG A 114 1.782 13.373 -10.263 1.00 0.06 H HETATM 2181 H25 FRG A 114 1.747 15.821 -10.576 1.00 0.06 H HETATM 2182 H21 FRG A 114 0.143 17.710 -10.715 1.00 0.05 H HETATM 2183 H22 FRG A 114 -1.058 17.907 -9.393 1.00 0.05 H HETATM 2184 C17 FRG A 114 0.797 19.910 -9.327 1.00 0.26 C HETATM 2185 O18 FRG A 114 -0.109 20.801 -8.619 1.00 -0.28 O HETATM 2186 C20 FRG A 114 -0.440 22.088 -9.140 1.00 0.07 C HETATM 2187 H18 FRG A 114 -1.135 22.594 -8.453 1.00 0.06 H HETATM 2188 H19 FRG A 114 -0.916 21.974 -10.125 1.00 0.06 H HETATM 2189 H20 FRG A 114 0.476 22.689 -9.243 1.00 0.06 H HETATM 2190 O19 FRG A 114 1.472 20.379 -10.235 1.00 -0.37 O HETATM 2191 H17 FRG A 114 1.931 18.149 -9.190 1.00 0.08 H HETATM 2192 H16 FRG A 114 -0.065 17.971 -7.068 1.00 0.19 H HETATM 2193 O25 FRG A 114 2.929 18.879 -7.009 1.00 -0.40 O HETATM 2194 H14 FRG A 114 0.723 17.555 -5.036 1.00 0.05 H HETATM 2195 H15 FRG A 114 2.501 17.337 -4.895 1.00 0.05 H HETATM 2196 H13 FRG A 114 2.788 19.710 -4.343 1.00 0.04 H HETATM 2197 H11 FRG A 114 -0.241 19.891 -4.658 1.00 0.03 H HETATM 2198 H12 FRG A 114 0.997 20.655 -5.711 1.00 0.03 H HETATM 2199 H9 FRG A 114 -0.089 22.171 -4.000 1.00 0.03 H HETATM 2200 H10 FRG A 114 1.706 22.125 -3.991 1.00 0.03 H HETATM 2201 H7 FRG A 114 1.260 22.105 -1.752 1.00 0.07 H HETATM 2202 H8 FRG A 114 -0.275 21.192 -1.948 1.00 0.07 H HETATM 2203 N32 FRG A 114 3.664 19.309 -1.006 1.00 -0.28 N HETATM 2204 H3 FRG A 114 4.449 19.423 -0.349 1.00 0.26 H HETATM 2205 H4 FRG A 114 3.697 18.573 -1.726 1.00 0.26 H HETATM 2206 H1 FRG A 114 3.371 21.042 0.738 1.00 0.26 H HETATM 2207 H2 FRG A 114 1.727 21.544 0.259 1.00 0.26 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 934 933 1589 CONECT 1203 1204 1211 1212 1213 CONECT 1211 1203 CONECT 1212 1203 CONECT 1213 1203 CONECT 1589 934 1588 CONECT 2144 2145 2206 2207 CONECT 2145 2144 2146 2203 CONECT 2146 2145 2147 2151 CONECT 2147 2146 2148 2201 2202 CONECT 2148 2147 2149 2199 2200 CONECT 2149 2148 2150 2197 2198 CONECT 2150 2149 2151 2154 2196 CONECT 2151 2146 2150 2152 2153 CONECT 2152 2151 CONECT 2153 2151 CONECT 2154 2150 2155 2194 2195 CONECT 2155 2154 2156 2193 CONECT 2156 2155 2157 2192 CONECT 2157 2156 2158 2184 2191 CONECT 2158 2157 2159 2182 2183 CONECT 2159 2158 2160 2164 CONECT 2160 2159 2161 2181 CONECT 2161 2160 2162 2180 CONECT 2162 2161 2163 2167 CONECT 2163 2162 2164 2166 CONECT 2164 2159 2163 2165 CONECT 2165 2164 CONECT 2166 2163 CONECT 2167 2162 2168 CONECT 2168 2167 2169 CONECT 2169 2168 2170 2174 CONECT 2170 2169 2171 2179 CONECT 2171 2170 2172 2178 CONECT 2172 2171 2173 2177 CONECT 2173 2172 2174 2176 CONECT 2174 2169 2173 2175 CONECT 2175 2174 CONECT 2176 2173 CONECT 2177 2172 CONECT 2178 2171 CONECT 2179 2170 CONECT 2180 2161 CONECT 2181 2160 CONECT 2182 2158 CONECT 2183 2158 CONECT 2184 2157 2185 2190 CONECT 2185 2184 2186 CONECT 2186 2185 2187 2188 2189 CONECT 2187 2186 CONECT 2188 2186 CONECT 2189 2186 CONECT 2190 2184 CONECT 2191 2157 CONECT 2192 2156 CONECT 2193 2155 CONECT 2194 2154 CONECT 2195 2154 CONECT 2196 2150 CONECT 2197 2149 CONECT 2198 2149 CONECT 2199 2148 CONECT 2200 2148 CONECT 2201 2147 CONECT 2202 2147 CONECT 2203 2145 2204 2205 CONECT 2204 2203 CONECT 2205 2203 CONECT 2206 2144 CONECT 2207 2144 MASTER 0 0 0 0 0 0 0 0 2205 2 74 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1m48
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
interleukin-2
Ligand Name
FRG
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=8.2uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Proc.Natl.Acad.Sci.USA v100 pp. 1603-8, 2003
Ligand Properties
Formula
C
2
6
H
3
1
N
4
O
3
Molecular Weight
447.549
Exact Mass
447.240
No. of atoms
64
No. of bonds
66
Polar Surface Area
110.25
LOGP Value
4.56 (
Computed with XLOGP3
)
1.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@H]1CCCN(C1)C(=[NH2+])N
InChI String
InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/p+1/t22-,23+/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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