Browse entries in the PDBbind-CN Database
HEADER 1RU2_COMPLEX COMPND 1RU2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SER SEQRES 2 A 44 PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU GLY SEQRES 3 A 44 ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER PHE SEQRES 4 A 44 TYR ARG THR PRO PRO SEQRES 1 A 102 PRO ASP TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER SEQRES 2 A 102 LEU ALA PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE SEQRES 3 A 102 GLU LEU GLN GLN GLY ARG GLY GLY PRO ARG THR LEU ASP SEQRES 4 A 102 LEU ASP ILE MET LEU PHE GLY ASN GLU VAL ILE ASN THR SEQRES 5 A 102 GLU ARG LEU THR VAL PRO HIS TYR ASP MET LYS ASN ARG SEQRES 6 A 102 GLY PHE MET LEU TRP PRO LEU PHE GLU ILE ALA PRO GLU SEQRES 7 A 102 LEU VAL PHE PRO ASP GLY GLU MET LEU ARG GLN ILE LEU SEQRES 8 A 102 HIS THR ARG ALA PHE ASP LYS LEU ASN LYS TRP HET MG A 1 1 HET MG A 2 1 HET APC A 279 45 ATOM 1 N THR A 1 16.414 -1.310 7.143 1.00 41.24 N ATOM 2 CA THR A 1 15.413 -0.559 6.391 1.00 29.26 C ATOM 3 C THR A 1 15.790 0.892 6.164 1.00 23.77 C ATOM 4 O THR A 1 16.255 1.612 7.070 1.00 28.62 O ATOM 5 CB THR A 1 14.074 -0.550 7.167 1.00 33.08 C ATOM 6 OG1 THR A 1 13.659 -1.906 7.338 1.00 41.47 O ATOM 7 CG2 THR A 1 13.026 0.213 6.384 1.00 30.22 C ATOM 8 HA THR A 1 15.336 -1.059 5.425 1.00 0.00 H ATOM 9 HB THR A 1 14.200 -0.064 8.134 1.00 0.00 H ATOM 10 HG1 THR A 1 12.802 -1.928 7.833 1.00 0.00 H ATOM 11 HG23 THR A 1 13.349 1.246 6.258 1.00 0.00 H ATOM 12 HG21 THR A 1 12.896 -0.251 5.406 1.00 0.00 H ATOM 13 HG22 THR A 1 12.081 0.191 6.927 1.00 0.00 H ATOM 14 HN3 THR A 1 16.545 -0.872 8.077 1.00 0.00 H ATOM 15 HN2 THR A 1 17.315 -1.299 6.624 1.00 0.00 H ATOM 16 HN1 THR A 1 16.092 -2.292 7.261 1.00 0.00 H ATOM 17 N VAL A 2 15.543 1.364 4.938 1.00 20.81 N ATOM 18 CA VAL A 2 15.844 2.768 4.708 1.00 19.86 C ATOM 19 C VAL A 2 14.660 3.644 5.106 1.00 20.07 C ATOM 20 O VAL A 2 13.571 3.548 4.549 1.00 18.21 O ATOM 21 CB VAL A 2 16.201 3.071 3.242 1.00 22.75 C ATOM 22 CG1 VAL A 2 16.445 4.571 3.126 1.00 26.43 C ATOM 23 CG2 VAL A 2 17.386 2.260 2.770 1.00 23.59 C ATOM 24 HA VAL A 2 16.713 2.993 5.326 1.00 0.00 H ATOM 25 HB VAL A 2 15.377 2.781 2.589 1.00 0.00 H ATOM 26 HG11 VAL A 2 15.542 5.108 3.416 1.00 0.00 H ATOM 27 HG12 VAL A 2 17.266 4.856 3.784 1.00 0.00 H ATOM 28 HG13 VAL A 2 16.701 4.818 2.096 1.00 0.00 H ATOM 29 HG21 VAL A 2 18.253 2.493 3.388 1.00 0.00 H ATOM 30 HG22 VAL A 2 17.154 1.198 2.853 1.00 0.00 H ATOM 31 HG23 VAL A 2 17.602 2.506 1.730 1.00 0.00 H ATOM 32 H VAL A 2 15.155 0.758 4.187 1.00 0.00 H ATOM 33 N ALA A 3 14.884 4.505 6.090 1.00 16.55 N ATOM 34 CA ALA A 3 13.917 5.502 6.473 1.00 15.10 C ATOM 35 C ALA A 3 14.311 6.850 5.881 1.00 12.96 C ATOM 36 O ALA A 3 15.484 7.214 5.859 1.00 17.11 O ATOM 37 CB ALA A 3 13.787 5.570 7.991 1.00 16.40 C ATOM 38 HA ALA A 3 12.939 5.227 6.078 1.00 0.00 H ATOM 39 HB1 ALA A 3 13.464 4.601 8.371 1.00 0.00 H ATOM 40 HB2 ALA A 3 14.752 5.829 8.426 1.00 0.00 H ATOM 41 HB3 ALA A 3 13.052 6.329 8.258 1.00 0.00 H ATOM 42 H ALA A 3 15.788 4.459 6.602 1.00 0.00 H ATOM 43 N TYR A 4 13.319 7.594 5.408 1.00 13.85 N ATOM 44 CA TYR A 4 13.585 8.945 4.924 1.00 13.67 C ATOM 45 C TYR A 4 12.947 9.939 5.877 1.00 11.15 C ATOM 46 O TYR A 4 11.738 9.846 6.095 1.00 12.44 O ATOM 47 CB TYR A 4 13.038 9.170 3.517 1.00 18.19 C ATOM 48 CG TYR A 4 13.790 8.345 2.515 1.00 15.36 C ATOM 49 CD1 TYR A 4 14.985 8.868 2.025 1.00 17.17 C ATOM 50 CD2 TYR A 4 13.329 7.121 2.067 1.00 18.22 C ATOM 51 CE1 TYR A 4 15.734 8.165 1.086 1.00 18.56 C ATOM 52 CE2 TYR A 4 14.082 6.425 1.128 1.00 19.39 C ATOM 53 CZ TYR A 4 15.259 6.948 0.655 1.00 19.06 C ATOM 54 OH TYR A 4 15.977 6.220 -0.269 1.00 31.25 O ATOM 55 HA TYR A 4 14.665 9.084 4.882 1.00 0.00 H ATOM 56 HB3 TYR A 4 13.137 10.224 3.259 1.00 0.00 H ATOM 57 HB2 TYR A 4 11.985 8.889 3.493 1.00 0.00 H ATOM 58 HD2 TYR A 4 12.392 6.709 2.443 1.00 0.00 H ATOM 59 HE2 TYR A 4 13.735 5.457 0.765 1.00 0.00 H ATOM 60 HE1 TYR A 4 16.671 8.568 0.703 1.00 0.00 H ATOM 61 HD1 TYR A 4 15.336 9.837 2.380 1.00 0.00 H ATOM 62 HH TYR A 4 16.796 6.719 -0.516 1.00 0.00 H ATOM 63 H TYR A 4 12.351 7.214 5.382 1.00 0.00 H ATOM 64 N ILE A 5 13.793 10.819 6.402 1.00 12.47 N ATOM 65 CA ILE A 5 13.370 11.748 7.447 1.00 12.45 C ATOM 66 C ILE A 5 13.538 13.172 6.942 1.00 13.55 C ATOM 67 O ILE A 5 14.584 13.541 6.405 1.00 14.59 O ATOM 68 CB ILE A 5 14.212 11.517 8.717 1.00 16.60 C ATOM 69 CG1 ILE A 5 14.029 10.099 9.260 1.00 17.41 C ATOM 70 CG2 ILE A 5 13.927 12.571 9.765 1.00 16.97 C ATOM 71 CD1 ILE A 5 15.077 9.605 10.223 1.00 20.04 C ATOM 72 HA ILE A 5 12.322 11.581 7.695 1.00 0.00 H ATOM 73 HB ILE A 5 15.262 11.616 8.442 1.00 0.00 H ATOM 74 HG12 ILE A 5 13.067 10.062 9.770 1.00 0.00 H ATOM 75 HG13 ILE A 5 14.014 9.418 8.409 1.00 0.00 H ATOM 76 HD11 ILE A 5 16.051 9.613 9.734 1.00 0.00 H ATOM 77 HD12 ILE A 5 15.102 10.257 11.096 1.00 0.00 H ATOM 78 HD13 ILE A 5 14.833 8.589 10.534 1.00 0.00 H ATOM 79 HG21 ILE A 5 14.167 13.555 9.363 1.00 0.00 H ATOM 80 HG22 ILE A 5 12.872 12.536 10.037 1.00 0.00 H ATOM 81 HG23 ILE A 5 14.537 12.378 10.647 1.00 0.00 H ATOM 82 H ILE A 5 14.776 10.847 6.062 1.00 0.00 H ATOM 83 N ALA A 6 12.512 13.983 7.118 1.00 13.89 N ATOM 84 CA ALA A 6 12.614 15.392 6.823 1.00 12.69 C ATOM 85 C ALA A 6 13.067 16.123 8.086 1.00 12.02 C ATOM 86 O ALA A 6 12.546 15.829 9.140 1.00 13.69 O ATOM 87 CB ALA A 6 11.279 15.918 6.366 1.00 12.12 C ATOM 88 HA ALA A 6 13.339 15.555 6.025 1.00 0.00 H ATOM 89 HB1 ALA A 6 10.967 15.384 5.468 1.00 0.00 H ATOM 90 HB2 ALA A 6 10.541 15.768 7.154 1.00 0.00 H ATOM 91 HB3 ALA A 6 11.365 16.982 6.146 1.00 0.00 H ATOM 92 H ALA A 6 11.614 13.600 7.476 1.00 0.00 H ATOM 93 N ILE A 7 14.022 17.013 7.922 1.00 12.25 N ATOM 94 CA ILE A 7 14.480 17.940 8.931 1.00 12.47 C ATOM 95 C ILE A 7 14.069 19.360 8.554 1.00 15.91 C ATOM 96 O ILE A 7 14.376 19.814 7.461 1.00 14.30 O ATOM 97 CB ILE A 7 16.004 17.899 9.123 1.00 13.17 C ATOM 98 CG1 ILE A 7 16.572 16.506 9.342 1.00 17.32 C ATOM 99 CG2 ILE A 7 16.383 18.845 10.264 1.00 21.24 C ATOM 100 CD1 ILE A 7 18.047 16.450 9.642 1.00 23.89 C ATOM 101 HA ILE A 7 14.016 17.640 9.870 1.00 0.00 H ATOM 102 HB ILE A 7 16.457 18.230 8.188 1.00 0.00 H ATOM 103 HG12 ILE A 7 16.041 16.054 10.179 1.00 0.00 H ATOM 104 HG13 ILE A 7 16.390 15.922 8.440 1.00 0.00 H ATOM 105 HD11 ILE A 7 18.602 16.883 8.810 1.00 0.00 H ATOM 106 HD12 ILE A 7 18.253 17.015 10.551 1.00 0.00 H ATOM 107 HD13 ILE A 7 18.349 15.412 9.781 1.00 0.00 H ATOM 108 HG21 ILE A 7 16.069 19.858 10.014 1.00 0.00 H ATOM 109 HG22 ILE A 7 15.886 18.525 11.180 1.00 0.00 H ATOM 110 HG23 ILE A 7 17.463 18.823 10.409 1.00 0.00 H ATOM 111 H ILE A 7 14.484 17.052 6.991 1.00 0.00 H ATOM 112 N GLY A 8 13.350 19.980 9.487 1.00 14.76 N ATOM 113 CA GLY A 8 12.958 21.379 9.313 1.00 14.72 C ATOM 114 C GLY A 8 13.324 22.222 10.514 1.00 13.60 C ATOM 115 O GLY A 8 13.160 21.779 11.652 1.00 14.73 O ATOM 116 HA3 GLY A 8 11.879 21.427 9.164 1.00 0.00 H ATOM 117 HA2 GLY A 8 13.463 21.780 8.434 1.00 0.00 H ATOM 118 H GLY A 8 13.065 19.467 10.345 1.00 0.00 H ATOM 119 N SER A 9 13.790 23.439 10.288 1.00 17.40 N ATOM 120 CA SER A 9 14.016 24.379 11.366 1.00 17.89 C ATOM 121 C SER A 9 13.517 25.770 11.007 1.00 22.70 C ATOM 122 O SER A 9 13.753 26.210 9.871 1.00 27.13 O ATOM 123 CB SER A 9 15.521 24.451 11.671 1.00 20.04 C ATOM 124 OG SER A 9 15.741 25.491 12.607 1.00 24.49 O ATOM 125 HA SER A 9 13.464 24.030 12.239 1.00 0.00 H ATOM 126 HB2 SER A 9 16.073 24.658 10.754 1.00 0.00 H ATOM 127 HB3 SER A 9 15.857 23.502 12.089 1.00 0.00 H ATOM 128 HG SER A 9 15.236 25.299 13.437 1.00 0.00 H ATOM 129 H SER A 9 13.999 23.728 9.311 1.00 0.00 H ATOM 130 N ASN A 10 12.914 26.523 11.924 1.00 23.95 N ATOM 131 CA ASN A 10 12.523 27.890 11.490 1.00 27.12 C ATOM 132 C ASN A 10 13.562 28.867 12.011 1.00 22.05 C ATOM 133 O ASN A 10 13.351 30.064 12.260 1.00 23.85 O ATOM 134 CB ASN A 10 11.073 28.184 11.902 1.00 34.57 C ATOM 135 CG ASN A 10 10.801 28.148 13.383 1.00 41.61 C ATOM 136 OD1 ASN A 10 9.634 28.141 13.799 1.00 59.67 O ATOM 137 ND2 ASN A 10 11.812 28.124 14.234 1.00 37.85 N ATOM 138 HA ASN A 10 12.519 27.992 10.405 1.00 0.00 H ATOM 139 HB2 ASN A 10 10.814 29.178 11.537 1.00 0.00 H ATOM 140 HB3 ASN A 10 10.431 27.444 11.424 1.00 0.00 H ATOM 141 HD22 ASN A 10 12.790 28.130 13.880 1.00 0.00 H ATOM 142 HD21 ASN A 10 11.630 28.099 15.258 1.00 0.00 H ATOM 143 H ASN A 10 12.728 26.176 12.886 1.00 0.00 H ATOM 144 N LEU A 11 14.743 28.418 12.348 1.00 23.98 N ATOM 145 CA LEU A 11 15.614 29.402 12.943 1.00 30.66 C ATOM 146 C LEU A 11 16.112 30.293 11.812 1.00 29.69 C ATOM 147 O LEU A 11 16.215 29.810 10.677 1.00 44.61 O ATOM 148 CB LEU A 11 16.735 28.753 13.736 1.00 33.50 C ATOM 149 CG LEU A 11 16.349 28.112 15.078 1.00 32.08 C ATOM 150 CD1 LEU A 11 17.529 27.320 15.594 1.00 29.50 C ATOM 151 CD2 LEU A 11 15.914 29.152 16.103 1.00 30.84 C ATOM 152 HA LEU A 11 15.081 30.009 13.675 1.00 0.00 H ATOM 153 HB2 LEU A 11 17.174 27.975 13.112 1.00 0.00 H ATOM 154 HB3 LEU A 11 17.483 29.519 13.939 1.00 0.00 H ATOM 155 HG LEU A 11 15.496 27.453 14.917 1.00 0.00 H ATOM 156 HD21 LEU A 11 16.733 29.849 16.281 1.00 0.00 H ATOM 157 HD22 LEU A 11 15.049 29.695 15.723 1.00 0.00 H ATOM 158 HD23 LEU A 11 15.651 28.653 17.036 1.00 0.00 H ATOM 159 HD11 LEU A 11 17.787 26.544 14.873 1.00 0.00 H ATOM 160 HD12 LEU A 11 18.380 27.987 15.733 1.00 0.00 H ATOM 161 HD13 LEU A 11 17.267 26.860 16.547 1.00 0.00 H ATOM 162 H LEU A 11 15.031 27.430 12.199 1.00 0.00 H ATOM 163 N ALA A 12 16.374 31.549 12.146 1.00 31.60 N ATOM 164 CA ALA A 12 16.931 32.612 11.317 1.00 30.40 C ATOM 165 C ALA A 12 18.381 32.245 10.994 1.00 25.02 C ATOM 166 O ALA A 12 18.826 32.508 9.887 1.00 34.23 O ATOM 167 CB ALA A 12 16.847 33.948 12.047 1.00 35.50 C ATOM 168 HA ALA A 12 16.365 32.714 10.391 1.00 0.00 H ATOM 169 HB1 ALA A 12 15.804 34.176 12.267 1.00 0.00 H ATOM 170 HB2 ALA A 12 17.411 33.888 12.978 1.00 0.00 H ATOM 171 HB3 ALA A 12 17.266 34.732 11.416 1.00 0.00 H ATOM 172 H ALA A 12 16.153 31.811 13.128 1.00 0.00 H ATOM 173 N SER A 13 19.053 31.650 11.994 1.00 27.94 N ATOM 174 CA SER A 13 20.376 31.078 11.791 1.00 28.53 C ATOM 175 C SER A 13 20.356 29.612 12.219 1.00 30.07 C ATOM 176 O SER A 13 20.997 29.275 13.214 1.00 26.76 O ATOM 177 CB SER A 13 21.475 31.828 12.564 1.00 32.57 C ATOM 178 OG SER A 13 21.442 33.195 12.183 1.00 40.12 O ATOM 179 HA SER A 13 20.615 31.169 10.731 1.00 0.00 H ATOM 180 HB2 SER A 13 22.449 31.403 12.324 1.00 0.00 H ATOM 181 HB3 SER A 13 21.296 31.740 13.636 1.00 0.00 H ATOM 182 HG SER A 13 22.145 33.690 12.674 1.00 0.00 H ATOM 183 H SER A 13 18.617 31.597 12.937 1.00 0.00 H ATOM 184 N PRO A 14 19.646 28.775 11.464 1.00 32.25 N ATOM 185 CA PRO A 14 19.354 27.401 11.876 1.00 27.96 C ATOM 186 C PRO A 14 20.399 26.385 11.453 1.00 24.44 C ATOM 187 O PRO A 14 20.146 25.190 11.651 1.00 24.20 O ATOM 188 CB PRO A 14 18.068 27.098 11.076 1.00 28.33 C ATOM 189 CG PRO A 14 18.365 27.773 9.769 1.00 29.63 C ATOM 190 CD PRO A 14 19.066 29.054 10.135 1.00 32.48 C ATOM 191 HA PRO A 14 19.298 27.327 12.962 1.00 0.00 H ATOM 192 HD3 PRO A 14 19.847 29.289 9.412 1.00 0.00 H ATOM 193 HD2 PRO A 14 18.359 29.882 10.186 1.00 0.00 H ATOM 194 HG3 PRO A 14 17.442 27.983 9.229 1.00 0.00 H ATOM 195 HG2 PRO A 14 19.010 27.147 9.153 1.00 0.00 H ATOM 196 HB2 PRO A 14 17.922 26.026 10.947 1.00 0.00 H ATOM 197 HB3 PRO A 14 17.189 27.528 11.556 1.00 0.00 H ATOM 198 N LEU A 15 21.533 26.800 10.881 1.00 26.28 N ATOM 199 CA LEU A 15 22.508 25.806 10.452 1.00 26.45 C ATOM 200 C LEU A 15 22.924 24.923 11.616 1.00 23.87 C ATOM 201 O LEU A 15 23.017 23.710 11.477 1.00 22.11 O ATOM 202 CB LEU A 15 23.752 26.449 9.834 1.00 29.24 C ATOM 203 CG LEU A 15 23.708 26.656 8.318 1.00 31.11 C ATOM 204 CD1 LEU A 15 24.852 27.527 7.829 1.00 37.81 C ATOM 205 CD2 LEU A 15 23.727 25.317 7.593 1.00 28.63 C ATOM 206 HA LEU A 15 22.022 25.200 9.687 1.00 0.00 H ATOM 207 HB2 LEU A 15 23.893 27.423 10.301 1.00 0.00 H ATOM 208 HB3 LEU A 15 24.607 25.812 10.061 1.00 0.00 H ATOM 209 HG LEU A 15 22.776 27.174 8.092 1.00 0.00 H ATOM 210 HD21 LEU A 15 24.639 24.779 7.850 1.00 0.00 H ATOM 211 HD22 LEU A 15 22.860 24.729 7.895 1.00 0.00 H ATOM 212 HD23 LEU A 15 23.695 25.487 6.517 1.00 0.00 H ATOM 213 HD11 LEU A 15 24.794 28.504 8.308 1.00 0.00 H ATOM 214 HD12 LEU A 15 25.801 27.053 8.081 1.00 0.00 H ATOM 215 HD13 LEU A 15 24.780 27.646 6.748 1.00 0.00 H ATOM 216 H LEU A 15 21.716 27.815 10.744 1.00 0.00 H ATOM 217 N GLU A 16 23.177 25.536 12.777 1.00 23.11 N ATOM 218 CA GLU A 16 23.760 24.705 13.835 1.00 24.32 C ATOM 219 C GLU A 16 22.727 23.722 14.388 1.00 24.00 C ATOM 220 O GLU A 16 23.075 22.624 14.777 1.00 24.25 O ATOM 221 CB GLU A 16 24.364 25.548 14.949 1.00 31.98 C ATOM 222 CG GLU A 16 25.712 26.134 14.544 1.00 34.59 C ATOM 223 CD GLU A 16 26.709 25.153 13.956 1.00 38.03 C ATOM 224 OE1 GLU A 16 26.600 23.921 14.140 1.00 38.86 O ATOM 225 OE2 GLU A 16 27.656 25.668 13.277 1.00 45.99 O ATOM 226 HA GLU A 16 24.572 24.131 13.388 1.00 0.00 H ATOM 227 HB2 GLU A 16 23.681 26.363 15.186 1.00 0.00 H ATOM 228 HB3 GLU A 16 24.501 24.923 15.831 1.00 0.00 H ATOM 229 HG2 GLU A 16 25.530 26.911 13.802 1.00 0.00 H ATOM 230 HG3 GLU A 16 26.163 26.579 15.431 1.00 0.00 H ATOM 231 H GLU A 16 22.972 26.545 12.921 1.00 0.00 H ATOM 232 N GLN A 17 21.486 24.164 14.396 1.00 25.34 N ATOM 233 CA GLN A 17 20.361 23.348 14.779 1.00 22.11 C ATOM 234 C GLN A 17 20.326 22.058 13.976 1.00 20.54 C ATOM 235 O GLN A 17 20.201 20.950 14.468 1.00 21.49 O ATOM 236 CB GLN A 17 19.078 24.157 14.604 1.00 29.67 C ATOM 237 CG GLN A 17 17.817 23.370 14.912 1.00 35.49 C ATOM 238 CD GLN A 17 17.736 23.110 16.406 1.00 37.80 C ATOM 239 OE1 GLN A 17 17.007 23.841 17.078 1.00 32.97 O ATOM 240 NE2 GLN A 17 18.505 22.105 16.806 1.00 35.87 N ATOM 241 HA GLN A 17 20.457 23.063 15.827 1.00 0.00 H ATOM 242 HB2 GLN A 17 19.119 25.018 15.272 1.00 0.00 H ATOM 243 HB3 GLN A 17 19.026 24.502 13.571 1.00 0.00 H ATOM 244 HG2 GLN A 17 16.945 23.941 14.594 1.00 0.00 H ATOM 245 HG3 GLN A 17 17.842 22.420 14.378 1.00 0.00 H ATOM 246 HE22 GLN A 17 19.070 21.575 16.112 1.00 0.00 H ATOM 247 HE21 GLN A 17 18.542 21.848 17.813 1.00 0.00 H ATOM 248 H GLN A 17 21.309 25.149 14.112 1.00 0.00 H ATOM 249 N VAL A 18 20.437 22.287 12.671 1.00 18.24 N ATOM 250 CA VAL A 18 20.324 21.140 11.751 1.00 17.07 C ATOM 251 C VAL A 18 21.544 20.267 11.849 1.00 15.96 C ATOM 252 O VAL A 18 21.471 19.045 11.792 1.00 15.62 O ATOM 253 CB VAL A 18 20.099 21.655 10.307 1.00 16.85 C ATOM 254 CG1 VAL A 18 20.140 20.535 9.305 1.00 19.31 C ATOM 255 CG2 VAL A 18 18.800 22.418 10.450 1.00 21.91 C ATOM 256 HA VAL A 18 19.466 20.529 12.031 1.00 0.00 H ATOM 257 HB VAL A 18 20.875 22.303 9.900 1.00 0.00 H ATOM 258 HG11 VAL A 18 21.113 20.046 9.348 1.00 0.00 H ATOM 259 HG12 VAL A 18 19.358 19.812 9.538 1.00 0.00 H ATOM 260 HG13 VAL A 18 19.978 20.938 8.305 1.00 0.00 H ATOM 261 HG21 VAL A 18 18.018 21.740 10.791 1.00 0.00 H ATOM 262 HG22 VAL A 18 18.929 23.220 11.177 1.00 0.00 H ATOM 263 HG23 VAL A 18 18.521 22.841 9.485 1.00 0.00 H ATOM 264 H VAL A 18 20.599 23.248 12.309 1.00 0.00 H ATOM 265 N ASN A 19 22.705 20.890 12.030 1.00 15.94 N ATOM 266 CA ASN A 19 23.890 20.057 12.238 1.00 19.82 C ATOM 267 C ASN A 19 23.777 19.253 13.536 1.00 18.40 C ATOM 268 O ASN A 19 24.103 18.076 13.524 1.00 18.13 O ATOM 269 CB ASN A 19 25.159 20.902 12.203 1.00 25.89 C ATOM 270 CG ASN A 19 25.744 20.991 10.807 1.00 29.87 C ATOM 271 OD1 ASN A 19 26.289 20.017 10.275 1.00 41.56 O ATOM 272 ND2 ASN A 19 25.657 22.160 10.192 1.00 41.26 N ATOM 273 HA ASN A 19 23.952 19.340 11.419 1.00 0.00 H ATOM 274 HB2 ASN A 19 24.922 21.908 12.550 1.00 0.00 H ATOM 275 HB3 ASN A 19 25.899 20.454 12.867 1.00 0.00 H ATOM 276 HD22 ASN A 19 25.193 22.962 10.664 1.00 0.00 H ATOM 277 HD21 ASN A 19 26.053 22.276 9.237 1.00 0.00 H ATOM 278 H ASN A 19 22.768 21.928 12.024 1.00 0.00 H ATOM 279 N ALA A 20 23.313 19.836 14.635 1.00 17.83 N ATOM 280 CA ALA A 20 23.044 19.127 15.873 1.00 19.16 C ATOM 281 C ALA A 20 22.131 17.916 15.676 1.00 19.51 C ATOM 282 O ALA A 20 22.335 16.818 16.196 1.00 20.77 O ATOM 283 CB ALA A 20 22.375 20.051 16.877 1.00 19.96 C ATOM 284 HA ALA A 20 24.011 18.781 16.237 1.00 0.00 H ATOM 285 HB1 ALA A 20 23.032 20.895 17.086 1.00 0.00 H ATOM 286 HB2 ALA A 20 21.434 20.415 16.464 1.00 0.00 H ATOM 287 HB3 ALA A 20 22.180 19.504 17.799 1.00 0.00 H ATOM 288 H ALA A 20 23.132 20.860 14.607 1.00 0.00 H ATOM 289 N ALA A 21 21.089 18.172 14.888 1.00 17.94 N ATOM 290 CA ALA A 21 20.115 17.121 14.606 1.00 15.89 C ATOM 291 C ALA A 21 20.730 15.983 13.801 1.00 16.85 C ATOM 292 O ALA A 21 20.466 14.800 14.055 1.00 14.89 O ATOM 293 CB ALA A 21 18.927 17.746 13.898 1.00 20.24 C ATOM 294 HA ALA A 21 19.779 16.673 15.541 1.00 0.00 H ATOM 295 HB1 ALA A 21 18.481 18.506 14.540 1.00 0.00 H ATOM 296 HB2 ALA A 21 19.261 18.205 12.968 1.00 0.00 H ATOM 297 HB3 ALA A 21 18.189 16.974 13.679 1.00 0.00 H ATOM 298 H ALA A 21 20.969 19.118 14.474 1.00 0.00 H ATOM 299 N LEU A 22 21.573 16.326 12.836 1.00 15.78 N ATOM 300 CA LEU A 22 22.167 15.307 11.968 1.00 17.85 C ATOM 301 C LEU A 22 23.128 14.445 12.762 1.00 18.03 C ATOM 302 O LEU A 22 23.255 13.238 12.630 1.00 18.06 O ATOM 303 CB LEU A 22 22.871 16.005 10.811 1.00 18.53 C ATOM 304 CG LEU A 22 21.979 16.517 9.679 1.00 19.65 C ATOM 305 CD1 LEU A 22 22.725 17.465 8.770 1.00 24.01 C ATOM 306 CD2 LEU A 22 21.421 15.316 8.925 1.00 19.82 C ATOM 307 HA LEU A 22 21.394 14.652 11.568 1.00 0.00 H ATOM 308 HB2 LEU A 22 23.412 16.859 11.219 1.00 0.00 H ATOM 309 HB3 LEU A 22 23.581 15.299 10.380 1.00 0.00 H ATOM 310 HG LEU A 22 21.152 17.093 10.094 1.00 0.00 H ATOM 311 HD21 LEU A 22 22.245 14.731 8.516 1.00 0.00 H ATOM 312 HD22 LEU A 22 20.839 14.698 9.609 1.00 0.00 H ATOM 313 HD23 LEU A 22 20.782 15.663 8.113 1.00 0.00 H ATOM 314 HD11 LEU A 22 23.075 18.321 9.348 1.00 0.00 H ATOM 315 HD12 LEU A 22 23.578 16.949 8.330 1.00 0.00 H ATOM 316 HD13 LEU A 22 22.058 17.807 7.978 1.00 0.00 H ATOM 317 H LEU A 22 21.814 17.328 12.695 1.00 0.00 H ATOM 318 N LYS A 23 23.862 15.093 13.652 1.00 18.32 N ATOM 319 CA LYS A 23 24.785 14.341 14.502 1.00 21.63 C ATOM 320 C LYS A 23 24.023 13.304 15.318 1.00 21.26 C ATOM 321 O LYS A 23 24.346 12.125 15.407 1.00 23.61 O ATOM 322 CB LYS A 23 25.566 15.288 15.430 1.00 27.73 C ATOM 323 CG LYS A 23 26.426 14.538 16.443 1.00 33.41 C ATOM 324 CD LYS A 23 27.793 14.216 15.866 1.00 36.88 C ATOM 325 CE LYS A 23 28.639 13.341 16.773 1.00 35.65 C ATOM 326 NZ LYS A 23 27.931 12.996 18.055 1.00 45.66 N ATOM 327 HA LYS A 23 25.501 13.826 13.862 1.00 0.00 H ATOM 328 HB2 LYS A 23 26.213 15.919 14.821 1.00 0.00 H ATOM 329 HB3 LYS A 23 24.855 15.913 15.970 1.00 0.00 H ATOM 330 HG2 LYS A 23 26.551 15.156 17.332 1.00 0.00 H ATOM 331 HG3 LYS A 23 25.926 13.609 16.716 1.00 0.00 H ATOM 332 HD2 LYS A 23 27.655 13.698 14.917 1.00 0.00 H ATOM 333 HD3 LYS A 23 28.325 15.152 15.694 1.00 0.00 H ATOM 334 HE2 LYS A 23 29.560 13.872 17.013 1.00 0.00 H ATOM 335 HE3 LYS A 23 28.880 12.418 16.246 1.00 0.00 H ATOM 336 HZ1 LYS A 23 27.704 13.870 18.570 1.00 0.00 H ATOM 337 HZ2 LYS A 23 27.053 12.482 17.837 1.00 0.00 H ATOM 338 HZ3 LYS A 23 28.548 12.398 18.640 1.00 0.00 H ATOM 339 H LYS A 23 23.784 16.126 13.746 1.00 0.00 H ATOM 340 N ALA A 24 22.952 13.788 15.949 1.00 19.64 N ATOM 341 CA ALA A 24 22.158 12.901 16.809 1.00 20.69 C ATOM 342 C ALA A 24 21.481 11.779 16.032 1.00 22.63 C ATOM 343 O ALA A 24 21.402 10.650 16.527 1.00 24.04 O ATOM 344 CB ALA A 24 21.178 13.763 17.596 1.00 21.09 C ATOM 345 HA ALA A 24 22.815 12.380 17.505 1.00 0.00 H ATOM 346 HB1 ALA A 24 21.732 14.480 18.202 1.00 0.00 H ATOM 347 HB2 ALA A 24 20.528 14.297 16.903 1.00 0.00 H ATOM 348 HB3 ALA A 24 20.575 13.126 18.244 1.00 0.00 H ATOM 349 H ALA A 24 22.681 14.785 15.833 1.00 0.00 H ATOM 350 N LEU A 25 20.992 12.090 14.835 1.00 22.85 N ATOM 351 CA LEU A 25 20.410 11.092 13.946 1.00 20.23 C ATOM 352 C LEU A 25 21.415 9.969 13.691 1.00 24.15 C ATOM 353 O LEU A 25 21.065 8.783 13.759 1.00 24.82 O ATOM 354 CB LEU A 25 19.950 11.733 12.642 1.00 18.61 C ATOM 355 CG LEU A 25 18.607 12.458 12.601 1.00 20.21 C ATOM 356 CD1 LEU A 25 18.305 13.029 11.221 1.00 20.24 C ATOM 357 CD2 LEU A 25 17.469 11.537 12.989 1.00 20.42 C ATOM 358 HA LEU A 25 19.531 10.661 14.426 1.00 0.00 H ATOM 359 HB2 LEU A 25 20.712 12.458 12.357 1.00 0.00 H ATOM 360 HB3 LEU A 25 19.907 10.940 11.895 1.00 0.00 H ATOM 361 HG LEU A 25 18.688 13.274 13.319 1.00 0.00 H ATOM 362 HD21 LEU A 25 17.430 10.697 12.295 1.00 0.00 H ATOM 363 HD22 LEU A 25 17.632 11.167 14.001 1.00 0.00 H ATOM 364 HD23 LEU A 25 16.529 12.087 12.949 1.00 0.00 H ATOM 365 HD11 LEU A 25 19.084 13.740 10.945 1.00 0.00 H ATOM 366 HD12 LEU A 25 18.276 12.219 10.492 1.00 0.00 H ATOM 367 HD13 LEU A 25 17.340 13.535 11.242 1.00 0.00 H ATOM 368 H LEU A 25 21.026 13.081 14.522 1.00 0.00 H ATOM 369 N GLY A 26 22.662 10.358 13.423 1.00 26.33 N ATOM 370 CA GLY A 26 23.722 9.394 13.188 1.00 29.69 C ATOM 371 C GLY A 26 24.036 8.596 14.450 1.00 31.88 C ATOM 372 O GLY A 26 24.606 7.513 14.331 1.00 37.37 O ATOM 373 HA3 GLY A 26 24.620 9.924 12.870 1.00 0.00 H ATOM 374 HA2 GLY A 26 23.409 8.707 12.402 1.00 0.00 H ATOM 375 H GLY A 26 22.880 11.374 13.381 1.00 0.00 H ATOM 376 N ASP A 27 23.668 9.091 15.621 1.00 29.15 N ATOM 377 CA ASP A 27 23.937 8.405 16.874 1.00 32.11 C ATOM 378 C ASP A 27 22.812 7.512 17.358 1.00 32.36 C ATOM 379 O ASP A 27 22.856 6.888 18.431 1.00 36.85 O ATOM 380 CB ASP A 27 24.303 9.444 17.913 1.00 35.36 C ATOM 381 CG ASP A 27 25.744 9.897 17.733 1.00 39.21 C ATOM 382 OD1 ASP A 27 26.520 9.242 16.933 1.00 40.99 O ATOM 383 OD2 ASP A 27 26.183 10.922 18.369 1.00 47.00 O ATOM 384 HA ASP A 27 24.765 7.718 16.701 1.00 0.00 H ATOM 385 HB2 ASP A 27 23.641 10.304 17.809 1.00 0.00 H ATOM 386 HB3 ASP A 27 24.184 9.014 18.907 1.00 0.00 H ATOM 387 H ASP A 27 23.169 10.003 15.646 1.00 0.00 H ATOM 388 N ILE A 28 21.793 7.417 16.520 1.00 33.86 N ATOM 389 CA ILE A 28 20.728 6.466 16.849 1.00 32.52 C ATOM 390 C ILE A 28 21.255 5.044 16.785 1.00 34.89 C ATOM 391 O ILE A 28 21.919 4.606 15.845 1.00 40.22 O ATOM 392 CB ILE A 28 19.522 6.725 15.928 1.00 29.99 C ATOM 393 CG1 ILE A 28 18.963 8.148 16.116 1.00 24.02 C ATOM 394 CG2 ILE A 28 18.450 5.671 16.103 1.00 40.44 C ATOM 395 CD1 ILE A 28 17.703 8.424 15.315 1.00 23.12 C ATOM 396 HA ILE A 28 20.384 6.608 17.873 1.00 0.00 H ATOM 397 HB ILE A 28 19.876 6.652 14.900 1.00 0.00 H ATOM 398 HG12 ILE A 28 18.737 8.292 17.173 1.00 0.00 H ATOM 399 HG13 ILE A 28 19.728 8.861 15.809 1.00 0.00 H ATOM 400 HD11 ILE A 28 17.914 8.297 14.253 1.00 0.00 H ATOM 401 HD12 ILE A 28 16.922 7.727 15.618 1.00 0.00 H ATOM 402 HD13 ILE A 28 17.372 9.446 15.501 1.00 0.00 H ATOM 403 HG21 ILE A 28 18.863 4.691 15.863 1.00 0.00 H ATOM 404 HG22 ILE A 28 18.102 5.677 17.136 1.00 0.00 H ATOM 405 HG23 ILE A 28 17.616 5.889 15.436 1.00 0.00 H ATOM 406 H ILE A 28 21.749 7.997 15.658 1.00 0.00 H ATOM 407 N PRO A 29 21.005 4.264 17.831 1.00 34.94 N ATOM 408 CA PRO A 29 21.516 2.871 17.851 1.00 34.76 C ATOM 409 C PRO A 29 20.896 2.125 16.632 1.00 36.31 C ATOM 410 O PRO A 29 19.843 2.488 16.090 1.00 33.40 O ATOM 411 CB PRO A 29 20.960 2.297 19.144 1.00 35.95 C ATOM 412 CG PRO A 29 19.912 3.239 19.620 1.00 36.95 C ATOM 413 CD PRO A 29 20.322 4.586 19.088 1.00 36.59 C ATOM 414 HA PRO A 29 22.602 2.790 17.797 1.00 0.00 H ATOM 415 HD3 PRO A 29 19.451 5.216 18.908 1.00 0.00 H ATOM 416 HD2 PRO A 29 20.996 5.090 19.780 1.00 0.00 H ATOM 417 HG3 PRO A 29 19.876 3.253 20.709 1.00 0.00 H ATOM 418 HG2 PRO A 29 18.935 2.954 19.229 1.00 0.00 H ATOM 419 HB2 PRO A 29 20.526 1.314 18.962 1.00 0.00 H ATOM 420 HB3 PRO A 29 21.752 2.211 19.887 1.00 0.00 H ATOM 421 N GLU A 30 21.632 1.094 16.230 1.00 36.74 N ATOM 422 CA GLU A 30 21.194 0.203 15.176 1.00 38.05 C ATOM 423 C GLU A 30 20.896 0.932 13.866 1.00 35.67 C ATOM 424 O GLU A 30 20.165 0.385 13.031 1.00 34.82 O ATOM 425 CB GLU A 30 19.939 -0.561 15.626 1.00 41.12 C ATOM 426 CG GLU A 30 20.121 -1.319 16.937 1.00 45.63 C ATOM 427 CD GLU A 30 20.813 -2.645 16.677 1.00 46.11 C ATOM 428 OE1 GLU A 30 21.986 -2.622 16.251 1.00 48.73 O ATOM 429 OE2 GLU A 30 20.179 -3.698 16.897 1.00 48.95 O ATOM 430 HA GLU A 30 22.016 -0.487 14.986 1.00 0.00 H ATOM 431 HB2 GLU A 30 19.126 0.155 15.752 1.00 0.00 H ATOM 432 HB3 GLU A 30 19.674 -1.277 14.848 1.00 0.00 H ATOM 433 HG2 GLU A 30 20.727 -0.722 17.618 1.00 0.00 H ATOM 434 HG3 GLU A 30 19.145 -1.503 17.387 1.00 0.00 H ATOM 435 H GLU A 30 22.551 0.922 16.686 1.00 0.00 H ATOM 436 N SER A 31 21.451 2.120 13.687 1.00 36.68 N ATOM 437 CA SER A 31 21.184 2.971 12.534 1.00 35.09 C ATOM 438 C SER A 31 22.422 3.735 12.070 1.00 34.44 C ATOM 439 O SER A 31 23.352 3.920 12.835 1.00 41.13 O ATOM 440 CB SER A 31 20.092 3.986 12.856 1.00 31.87 C ATOM 441 OG SER A 31 18.968 3.439 13.502 1.00 28.88 O ATOM 442 HA SER A 31 20.865 2.304 11.733 1.00 0.00 H ATOM 443 HB2 SER A 31 19.762 4.441 11.922 1.00 0.00 H ATOM 444 HB3 SER A 31 20.518 4.753 13.502 1.00 0.00 H ATOM 445 HG SER A 31 18.560 2.747 12.923 1.00 0.00 H ATOM 446 H SER A 31 22.115 2.466 14.409 1.00 0.00 H ATOM 447 N HIS A 32 22.446 4.194 10.826 1.00 33.64 N ATOM 448 CA HIS A 32 23.453 5.120 10.326 1.00 34.33 C ATOM 449 C HIS A 32 22.951 5.862 9.090 1.00 31.14 C ATOM 450 O HIS A 32 22.097 5.424 8.326 1.00 29.38 O ATOM 451 CB HIS A 32 24.782 4.449 9.984 1.00 37.69 C ATOM 452 CG HIS A 32 24.752 3.547 8.796 1.00 39.96 C ATOM 453 ND1 HIS A 32 24.480 2.199 8.893 1.00 39.26 N ATOM 454 CD2 HIS A 32 24.973 3.769 7.482 1.00 42.40 C ATOM 455 CE1 HIS A 32 24.523 1.634 7.695 1.00 39.73 C ATOM 456 NE2 HIS A 32 24.821 2.568 6.813 1.00 42.41 N ATOM 457 HA HIS A 32 23.631 5.818 11.144 1.00 0.00 H ATOM 458 HB2 HIS A 32 25.516 5.232 9.795 1.00 0.00 H ATOM 459 HB3 HIS A 32 25.095 3.860 10.847 1.00 0.00 H ATOM 460 HD2 HIS A 32 25.227 4.727 7.028 1.00 0.00 H ATOM 461 HE1 HIS A 32 24.343 0.581 7.477 1.00 0.00 H ATOM 462 H HIS A 32 21.704 3.875 10.171 1.00 0.00 H ATOM 463 N ILE A 33 23.514 7.054 8.895 1.00 28.64 N ATOM 464 CA ILE A 33 23.030 7.884 7.791 1.00 24.96 C ATOM 465 C ILE A 33 23.635 7.412 6.478 1.00 26.82 C ATOM 466 O ILE A 33 24.821 7.118 6.363 1.00 26.45 O ATOM 467 CB ILE A 33 23.323 9.371 8.020 1.00 22.67 C ATOM 468 CG1 ILE A 33 22.658 9.959 9.274 1.00 28.13 C ATOM 469 CG2 ILE A 33 22.937 10.226 6.816 1.00 28.87 C ATOM 470 CD1 ILE A 33 23.378 11.191 9.753 1.00 25.72 C ATOM 471 HA ILE A 33 21.947 7.775 7.743 1.00 0.00 H ATOM 472 HB ILE A 33 24.402 9.405 8.170 1.00 0.00 H ATOM 473 HG12 ILE A 33 21.626 10.220 9.039 1.00 0.00 H ATOM 474 HG13 ILE A 33 22.671 9.210 10.066 1.00 0.00 H ATOM 475 HD11 ILE A 33 24.410 10.936 9.996 1.00 0.00 H ATOM 476 HD12 ILE A 33 23.364 11.947 8.968 1.00 0.00 H ATOM 477 HD13 ILE A 33 22.880 11.579 10.641 1.00 0.00 H ATOM 478 HG21 ILE A 33 23.503 9.899 5.943 1.00 0.00 H ATOM 479 HG22 ILE A 33 21.870 10.116 6.621 1.00 0.00 H ATOM 480 HG23 ILE A 33 23.164 11.271 7.027 1.00 0.00 H ATOM 481 H ILE A 33 24.281 7.387 9.514 1.00 0.00 H ATOM 482 N LEU A 34 22.792 7.316 5.461 1.00 26.89 N ATOM 483 CA LEU A 34 23.261 6.910 4.145 1.00 25.88 C ATOM 484 C LEU A 34 23.588 8.132 3.298 1.00 28.69 C ATOM 485 O LEU A 34 24.619 8.241 2.649 1.00 33.22 O ATOM 486 CB LEU A 34 22.204 6.056 3.432 1.00 31.63 C ATOM 487 CG LEU A 34 22.061 4.581 3.819 1.00 33.16 C ATOM 488 CD1 LEU A 34 20.741 3.985 3.358 1.00 33.67 C ATOM 489 CD2 LEU A 34 23.204 3.735 3.261 1.00 47.88 C ATOM 490 HA LEU A 34 24.164 6.314 4.277 1.00 0.00 H ATOM 491 HB2 LEU A 34 21.238 6.529 3.609 1.00 0.00 H ATOM 492 HB3 LEU A 34 22.433 6.087 2.367 1.00 0.00 H ATOM 493 HG LEU A 34 22.093 4.561 4.908 1.00 0.00 H ATOM 494 HD21 LEU A 34 23.209 3.805 2.173 1.00 0.00 H ATOM 495 HD22 LEU A 34 24.152 4.102 3.654 1.00 0.00 H ATOM 496 HD23 LEU A 34 23.064 2.696 3.559 1.00 0.00 H ATOM 497 HD11 LEU A 34 19.917 4.534 3.814 1.00 0.00 H ATOM 498 HD12 LEU A 34 20.671 4.057 2.273 1.00 0.00 H ATOM 499 HD13 LEU A 34 20.692 2.938 3.658 1.00 0.00 H ATOM 500 H LEU A 34 21.785 7.533 5.605 1.00 0.00 H ATOM 501 N THR A 35 22.656 9.072 3.318 1.00 23.17 N ATOM 502 CA THR A 35 22.723 10.267 2.523 1.00 26.46 C ATOM 503 C THR A 35 21.956 11.401 3.188 1.00 22.02 C ATOM 504 O THR A 35 20.944 11.189 3.827 1.00 20.56 O ATOM 505 CB THR A 35 22.109 10.086 1.113 1.00 31.93 C ATOM 506 OG1 THR A 35 22.502 8.828 0.603 1.00 46.47 O ATOM 507 CG2 THR A 35 22.669 11.159 0.202 1.00 37.91 C ATOM 508 HA THR A 35 23.785 10.495 2.434 1.00 0.00 H ATOM 509 HB THR A 35 21.022 10.154 1.167 1.00 0.00 H ATOM 510 HG1 THR A 35 23.490 8.790 0.547 1.00 0.00 H ATOM 511 HG23 THR A 35 22.378 12.140 0.577 1.00 0.00 H ATOM 512 HG21 THR A 35 23.756 11.085 0.181 1.00 0.00 H ATOM 513 HG22 THR A 35 22.274 11.021 -0.805 1.00 0.00 H ATOM 514 H THR A 35 21.834 8.939 3.941 1.00 0.00 H ATOM 515 N VAL A 36 22.490 12.592 2.999 1.00 20.42 N ATOM 516 CA VAL A 36 21.813 13.813 3.389 1.00 21.16 C ATOM 517 C VAL A 36 21.653 14.717 2.180 1.00 18.50 C ATOM 518 O VAL A 36 22.584 14.899 1.399 1.00 23.24 O ATOM 519 CB VAL A 36 22.606 14.561 4.479 1.00 18.41 C ATOM 520 CG1 VAL A 36 21.880 15.836 4.894 1.00 27.40 C ATOM 521 CG2 VAL A 36 22.833 13.627 5.645 1.00 23.28 C ATOM 522 HA VAL A 36 20.835 13.547 3.789 1.00 0.00 H ATOM 523 HB VAL A 36 23.576 14.869 4.090 1.00 0.00 H ATOM 524 HG11 VAL A 36 21.770 16.488 4.028 1.00 0.00 H ATOM 525 HG12 VAL A 36 20.896 15.581 5.286 1.00 0.00 H ATOM 526 HG13 VAL A 36 22.458 16.347 5.664 1.00 0.00 H ATOM 527 HG21 VAL A 36 21.871 13.305 6.043 1.00 0.00 H ATOM 528 HG22 VAL A 36 23.398 12.758 5.308 1.00 0.00 H ATOM 529 HG23 VAL A 36 23.394 14.147 6.422 1.00 0.00 H ATOM 530 H VAL A 36 23.428 12.657 2.555 1.00 0.00 H ATOM 531 N SER A 37 20.492 15.316 2.006 1.00 19.72 N ATOM 532 CA SER A 37 20.304 16.244 0.910 1.00 21.41 C ATOM 533 C SER A 37 21.062 17.546 1.156 1.00 20.33 C ATOM 534 O SER A 37 21.553 17.820 2.250 1.00 24.34 O ATOM 535 CB SER A 37 18.828 16.599 0.716 1.00 18.32 C ATOM 536 OG SER A 37 18.334 17.389 1.767 1.00 16.69 O ATOM 537 HA SER A 37 20.685 15.744 0.019 1.00 0.00 H ATOM 538 HB2 SER A 37 18.248 15.678 0.665 1.00 0.00 H ATOM 539 HB3 SER A 37 18.718 17.148 -0.219 1.00 0.00 H ATOM 540 HG SER A 37 18.851 18.232 1.816 1.00 0.00 H ATOM 541 H SER A 37 19.707 15.121 2.659 1.00 0.00 H ATOM 542 N SER A 38 21.069 18.331 0.087 1.00 23.24 N ATOM 543 CA SER A 38 21.486 19.721 0.257 1.00 25.37 C ATOM 544 C SER A 38 20.496 20.337 1.255 1.00 22.30 C ATOM 545 O SER A 38 19.353 19.890 1.493 1.00 22.74 O ATOM 546 CB SER A 38 21.440 20.432 -1.113 1.00 29.84 C ATOM 547 OG SER A 38 22.515 19.943 -1.917 1.00 34.95 O ATOM 548 HA SER A 38 22.505 19.816 0.632 1.00 0.00 H ATOM 549 HB2 SER A 38 21.546 21.508 -0.972 1.00 0.00 H ATOM 550 HB3 SER A 38 20.489 20.223 -1.604 1.00 0.00 H ATOM 551 HG SER A 38 22.415 18.966 -2.040 1.00 0.00 H ATOM 552 H SER A 38 20.786 17.968 -0.845 1.00 0.00 H ATOM 553 N PHE A 39 20.971 21.392 1.881 1.00 24.60 N ATOM 554 CA PHE A 39 20.084 22.193 2.703 1.00 24.48 C ATOM 555 C PHE A 39 19.372 23.172 1.762 1.00 26.27 C ATOM 556 O PHE A 39 20.011 23.575 0.789 1.00 34.06 O ATOM 557 CB PHE A 39 20.836 22.933 3.796 1.00 24.97 C ATOM 558 CG PHE A 39 21.535 22.057 4.816 1.00 24.82 C ATOM 559 CD1 PHE A 39 21.241 20.713 4.893 1.00 18.68 C ATOM 560 CD2 PHE A 39 22.483 22.570 5.688 1.00 25.46 C ATOM 561 CE1 PHE A 39 21.882 19.914 5.803 1.00 22.48 C ATOM 562 CE2 PHE A 39 23.142 21.777 6.609 1.00 24.26 C ATOM 563 CZ PHE A 39 22.834 20.427 6.661 1.00 21.68 C ATOM 564 HA PHE A 39 19.367 21.553 3.217 1.00 0.00 H ATOM 565 HB2 PHE A 39 21.589 23.561 3.320 1.00 0.00 H ATOM 566 HB3 PHE A 39 20.123 23.563 4.327 1.00 0.00 H ATOM 567 HD2 PHE A 39 22.716 23.634 5.646 1.00 0.00 H ATOM 568 HE2 PHE A 39 23.888 22.204 7.280 1.00 0.00 H ATOM 569 HZ PHE A 39 23.339 19.775 7.374 1.00 0.00 H ATOM 570 HE1 PHE A 39 21.636 18.853 5.850 1.00 0.00 H ATOM 571 HD1 PHE A 39 20.494 20.283 4.226 1.00 0.00 H ATOM 572 H PHE A 39 21.974 21.650 1.787 1.00 0.00 H ATOM 573 N TYR A 40 18.128 23.489 2.070 1.00 26.06 N ATOM 574 CA TYR A 40 17.266 24.308 1.236 1.00 32.18 C ATOM 575 C TYR A 40 16.548 25.350 2.092 1.00 30.52 C ATOM 576 O TYR A 40 15.901 25.015 3.088 1.00 31.34 O ATOM 577 CB TYR A 40 16.254 23.467 0.448 1.00 31.27 C ATOM 578 CG TYR A 40 16.867 22.534 -0.580 1.00 31.56 C ATOM 579 CD1 TYR A 40 17.292 22.943 -1.841 1.00 31.15 C ATOM 580 CD2 TYR A 40 17.043 21.192 -0.297 1.00 27.38 C ATOM 581 CE1 TYR A 40 17.850 22.071 -2.764 1.00 30.41 C ATOM 582 CE2 TYR A 40 17.595 20.320 -1.201 1.00 26.92 C ATOM 583 CZ TYR A 40 18.008 20.743 -2.444 1.00 29.62 C ATOM 584 OH TYR A 40 18.564 19.847 -3.344 1.00 27.88 O ATOM 585 HA TYR A 40 17.897 24.814 0.506 1.00 0.00 H ATOM 586 HB3 TYR A 40 15.578 24.147 -0.071 1.00 0.00 H ATOM 587 HB2 TYR A 40 15.687 22.865 1.158 1.00 0.00 H ATOM 588 HD2 TYR A 40 16.733 20.814 0.677 1.00 0.00 H ATOM 589 HE2 TYR A 40 17.709 19.271 -0.929 1.00 0.00 H ATOM 590 HE1 TYR A 40 18.163 22.438 -3.742 1.00 0.00 H ATOM 591 HD1 TYR A 40 17.182 23.992 -2.114 1.00 0.00 H ATOM 592 HH TYR A 40 19.379 19.447 -2.949 1.00 0.00 H ATOM 593 H TYR A 40 17.741 23.130 2.966 1.00 0.00 H ATOM 594 N ARG A 41 16.711 26.603 1.697 1.00 32.89 N ATOM 595 CA ARG A 41 16.061 27.738 2.350 1.00 33.46 C ATOM 596 C ARG A 41 14.686 27.853 1.707 1.00 34.75 C ATOM 597 O ARG A 41 14.628 28.211 0.528 1.00 37.70 O ATOM 598 CB ARG A 41 16.844 29.034 2.186 1.00 41.55 C ATOM 599 CG ARG A 41 16.362 30.233 2.975 1.00 47.76 C ATOM 600 CD ARG A 41 17.165 31.493 2.688 1.00 57.30 C ATOM 601 NE ARG A 41 17.931 31.987 3.825 1.00 63.70 N ATOM 602 CZ ARG A 41 19.173 31.659 4.133 1.00 67.18 C ATOM 603 NH1 ARG A 41 19.857 30.806 3.388 1.00 76.67 N ATOM 604 NH2 ARG A 41 19.790 32.162 5.195 1.00 72.34 N ATOM 605 HA ARG A 41 16.000 27.573 3.426 1.00 0.00 H ATOM 606 HB2 ARG A 41 17.874 28.836 2.484 1.00 0.00 H ATOM 607 HB3 ARG A 41 16.818 29.303 1.130 1.00 0.00 H ATOM 608 HG2 ARG A 41 15.319 30.420 2.721 1.00 0.00 H ATOM 609 HG3 ARG A 41 16.441 30.005 4.038 1.00 0.00 H ATOM 610 HD2 ARG A 41 16.473 32.275 2.376 1.00 0.00 H ATOM 611 HD3 ARG A 41 17.859 31.278 1.876 1.00 0.00 H ATOM 612 HE ARG A 41 17.454 32.663 4.455 1.00 0.00 H ATOM 613 HH12 ARG A 41 20.834 30.559 3.645 1.00 0.00 H ATOM 614 HH11 ARG A 41 19.418 30.383 2.546 1.00 0.00 H ATOM 615 HH22 ARG A 41 20.769 31.882 5.409 1.00 0.00 H ATOM 616 HH21 ARG A 41 19.295 32.836 5.813 1.00 0.00 H ATOM 617 H ARG A 41 17.331 26.789 0.883 1.00 0.00 H ATOM 618 N THR A 42 13.634 27.507 2.433 1.00 34.06 N ATOM 619 CA THR A 42 12.343 27.397 1.753 1.00 37.17 C ATOM 620 C THR A 42 11.294 28.315 2.333 1.00 37.08 C ATOM 621 O THR A 42 11.298 28.540 3.559 1.00 41.57 O ATOM 622 CB THR A 42 11.785 25.966 1.884 1.00 32.90 C ATOM 623 OG1 THR A 42 11.367 25.755 3.230 1.00 31.42 O ATOM 624 CG2 THR A 42 12.871 24.942 1.593 1.00 46.38 C ATOM 625 HA THR A 42 12.537 27.669 0.716 1.00 0.00 H ATOM 626 HB THR A 42 10.960 25.853 1.180 1.00 0.00 H ATOM 627 HG1 THR A 42 11.007 24.837 3.323 1.00 0.00 H ATOM 628 HG23 THR A 42 13.222 25.067 0.569 1.00 0.00 H ATOM 629 HG21 THR A 42 13.702 25.089 2.283 1.00 0.00 H ATOM 630 HG22 THR A 42 12.465 23.938 1.719 1.00 0.00 H ATOM 631 H THR A 42 13.722 27.320 3.452 1.00 0.00 H ATOM 632 N PRO A 43 10.438 28.930 1.543 1.00 43.02 N ATOM 633 CA PRO A 43 9.384 29.795 2.082 1.00 45.10 C ATOM 634 C PRO A 43 8.583 29.080 3.165 1.00 43.88 C ATOM 635 O PRO A 43 8.364 27.884 3.019 1.00 48.91 O ATOM 636 CB PRO A 43 8.508 30.073 0.866 1.00 44.02 C ATOM 637 CG PRO A 43 9.492 30.043 -0.255 1.00 42.50 C ATOM 638 CD PRO A 43 10.415 28.906 0.070 1.00 42.94 C ATOM 639 HA PRO A 43 9.776 30.697 2.551 1.00 0.00 H ATOM 640 HD3 PRO A 43 10.023 27.960 -0.303 1.00 0.00 H ATOM 641 HD2 PRO A 43 11.409 29.074 -0.343 1.00 0.00 H ATOM 642 HG3 PRO A 43 10.043 30.982 -0.307 1.00 0.00 H ATOM 643 HG2 PRO A 43 8.986 29.867 -1.205 1.00 0.00 H ATOM 644 HB2 PRO A 43 7.747 29.302 0.744 1.00 0.00 H ATOM 645 HB3 PRO A 43 8.026 31.048 0.942 1.00 0.00 H ATOM 646 N PRO A 44 8.195 29.798 4.229 1.00 49.96 N ATOM 647 CA PRO A 44 7.427 29.212 5.303 1.00 51.04 C ATOM 648 C PRO A 44 6.098 28.794 4.755 1.00 54.76 C ATOM 649 O PRO A 44 5.437 27.896 5.363 1.00 84.83 O ATOM 650 CB PRO A 44 7.258 30.346 6.287 1.00 52.59 C ATOM 651 CG PRO A 44 7.952 31.572 5.701 1.00 51.92 C ATOM 652 CD PRO A 44 8.540 31.210 4.369 1.00 51.67 C ATOM 653 HA PRO A 44 7.893 28.339 5.759 1.00 0.00 H ATOM 654 HD3 PRO A 44 8.095 31.803 3.570 1.00 0.00 H ATOM 655 HD2 PRO A 44 9.621 31.351 4.366 1.00 0.00 H ATOM 656 HG3 PRO A 44 8.744 31.900 6.374 1.00 0.00 H ATOM 657 HG2 PRO A 44 7.228 32.377 5.575 1.00 0.00 H ATOM 658 HB2 PRO A 44 6.199 30.554 6.437 1.00 0.00 H ATOM 659 HB3 PRO A 44 7.713 30.081 7.241 1.00 0.00 H TER 660 PRO A 44 ATOM 661 N PRO A 51 9.064 33.376 9.456 1.00 66.42 N ATOM 662 CA PRO A 51 10.223 33.461 8.619 1.00 64.46 C ATOM 663 C PRO A 51 10.344 32.186 7.824 1.00 62.13 C ATOM 664 O PRO A 51 9.319 31.456 7.659 1.00 67.86 O ATOM 665 CB PRO A 51 11.343 33.533 9.629 1.00 66.17 C ATOM 666 CG PRO A 51 10.730 33.581 11.020 1.00 69.12 C ATOM 667 CD PRO A 51 9.244 33.506 10.892 1.00 68.62 C ATOM 668 HA PRO A 51 10.211 34.293 7.915 1.00 0.00 H ATOM 669 HD3 PRO A 51 8.845 32.640 11.420 1.00 0.00 H ATOM 670 HD2 PRO A 51 8.769 34.411 11.270 1.00 0.00 H ATOM 671 HG3 PRO A 51 11.009 34.513 11.512 1.00 0.00 H ATOM 672 HG2 PRO A 51 11.091 32.738 11.609 1.00 0.00 H ATOM 673 HB2 PRO A 51 11.980 32.653 9.537 1.00 0.00 H ATOM 674 HB3 PRO A 51 11.938 34.430 9.457 1.00 0.00 H ATOM 675 N ASP A 52 11.554 31.996 7.373 1.00 56.38 N ATOM 676 CA ASP A 52 11.871 30.893 6.501 1.00 53.27 C ATOM 677 C ASP A 52 12.521 29.755 7.228 1.00 41.02 C ATOM 678 O ASP A 52 13.168 29.944 8.274 1.00 42.38 O ATOM 679 CB ASP A 52 12.794 31.340 5.394 1.00 63.99 C ATOM 680 CG ASP A 52 12.046 31.459 4.079 1.00 69.99 C ATOM 681 OD1 ASP A 52 11.064 32.287 3.979 1.00 77.61 O ATOM 682 OD2 ASP A 52 12.387 30.726 3.078 1.00 85.67 O ATOM 683 HA ASP A 52 10.922 30.546 6.091 1.00 0.00 H ATOM 684 HB2 ASP A 52 13.218 32.310 5.653 1.00 0.00 H ATOM 685 HB3 ASP A 52 13.597 30.612 5.283 1.00 0.00 H ATOM 686 H ASP A 52 12.308 32.657 7.650 1.00 0.00 H ATOM 687 N TYR A 53 12.304 28.646 6.588 1.00 29.91 N ATOM 688 CA TYR A 53 12.766 27.380 7.049 1.00 23.93 C ATOM 689 C TYR A 53 14.056 26.957 6.345 1.00 22.44 C ATOM 690 O TYR A 53 14.262 27.349 5.202 1.00 25.91 O ATOM 691 CB TYR A 53 11.708 26.305 6.800 1.00 26.31 C ATOM 692 CG TYR A 53 10.519 26.417 7.754 1.00 29.68 C ATOM 693 CD1 TYR A 53 9.605 27.433 7.603 1.00 29.20 C ATOM 694 CD2 TYR A 53 10.342 25.503 8.804 1.00 27.32 C ATOM 695 CE1 TYR A 53 8.524 27.544 8.456 1.00 30.78 C ATOM 696 CE2 TYR A 53 9.264 25.606 9.665 1.00 28.36 C ATOM 697 CZ TYR A 53 8.363 26.632 9.480 1.00 32.54 C ATOM 698 OH TYR A 53 7.282 26.745 10.332 1.00 48.93 O ATOM 699 HA TYR A 53 12.961 27.483 8.117 1.00 0.00 H ATOM 700 HB3 TYR A 53 12.168 25.325 6.929 1.00 0.00 H ATOM 701 HB2 TYR A 53 11.345 26.402 5.777 1.00 0.00 H ATOM 702 HD2 TYR A 53 11.065 24.699 8.943 1.00 0.00 H ATOM 703 HE2 TYR A 53 9.130 24.889 10.475 1.00 0.00 H ATOM 704 HE1 TYR A 53 7.801 28.348 8.321 1.00 0.00 H ATOM 705 HD1 TYR A 53 9.735 28.159 6.801 1.00 0.00 H ATOM 706 HH TYR A 53 6.735 27.527 10.067 1.00 0.00 H ATOM 707 H TYR A 53 11.768 28.684 5.698 1.00 0.00 H ATOM 708 N LEU A 54 14.843 26.174 7.073 1.00 19.43 N ATOM 709 CA LEU A 54 15.889 25.327 6.532 1.00 19.73 C ATOM 710 C LEU A 54 15.293 23.910 6.530 1.00 18.02 C ATOM 711 O LEU A 54 14.906 23.435 7.589 1.00 21.48 O ATOM 712 CB LEU A 54 17.206 25.332 7.295 1.00 22.03 C ATOM 713 CG LEU A 54 18.407 24.624 6.657 1.00 25.99 C ATOM 714 CD1 LEU A 54 19.690 25.215 7.225 1.00 27.01 C ATOM 715 CD2 LEU A 54 18.446 23.102 6.833 1.00 29.71 C ATOM 716 HA LEU A 54 16.164 25.705 5.547 1.00 0.00 H ATOM 717 HB2 LEU A 54 17.488 26.373 7.450 1.00 0.00 H ATOM 718 HB3 LEU A 54 17.024 24.858 8.260 1.00 0.00 H ATOM 719 HG LEU A 54 18.306 24.794 5.585 1.00 0.00 H ATOM 720 HD21 LEU A 54 18.475 22.861 7.896 1.00 0.00 H ATOM 721 HD22 LEU A 54 17.555 22.663 6.384 1.00 0.00 H ATOM 722 HD23 LEU A 54 19.335 22.704 6.344 1.00 0.00 H ATOM 723 HD11 LEU A 54 19.729 26.281 7.000 1.00 0.00 H ATOM 724 HD12 LEU A 54 19.708 25.070 8.305 1.00 0.00 H ATOM 725 HD13 LEU A 54 20.549 24.716 6.776 1.00 0.00 H ATOM 726 H LEU A 54 14.700 26.167 8.103 1.00 0.00 H ATOM 727 N ASN A 55 15.298 23.306 5.360 1.00 16.89 N ATOM 728 CA ASN A 55 14.806 21.969 5.110 1.00 19.45 C ATOM 729 C ASN A 55 15.859 21.072 4.465 1.00 19.66 C ATOM 730 O ASN A 55 16.653 21.484 3.645 1.00 19.14 O ATOM 731 CB ASN A 55 13.576 22.015 4.213 1.00 19.80 C ATOM 732 CG ASN A 55 12.438 22.683 4.955 1.00 21.25 C ATOM 733 OD1 ASN A 55 12.076 23.811 4.611 1.00 32.91 O ATOM 734 ND2 ASN A 55 11.950 21.974 5.960 1.00 30.73 N ATOM 735 HA ASN A 55 14.549 21.545 6.080 1.00 0.00 H ATOM 736 HB2 ASN A 55 13.805 22.582 3.310 1.00 0.00 H ATOM 737 HB3 ASN A 55 13.287 21.000 3.940 1.00 0.00 H ATOM 738 HD22 ASN A 55 12.332 21.028 6.163 1.00 0.00 H ATOM 739 HD21 ASN A 55 11.185 22.363 6.547 1.00 0.00 H ATOM 740 H ASN A 55 15.687 23.832 4.551 1.00 0.00 H ATOM 741 N ALA A 56 15.821 19.815 4.905 1.00 17.32 N ATOM 742 CA ALA A 56 16.703 18.793 4.361 1.00 14.86 C ATOM 743 C ALA A 56 15.996 17.440 4.484 1.00 12.68 C ATOM 744 O ALA A 56 15.023 17.317 5.229 1.00 16.19 O ATOM 745 CB ALA A 56 18.086 18.755 5.001 1.00 16.06 C ATOM 746 HA ALA A 56 16.895 19.039 3.317 1.00 0.00 H ATOM 747 HB1 ALA A 56 18.580 19.716 4.854 1.00 0.00 H ATOM 748 HB2 ALA A 56 17.986 18.557 6.068 1.00 0.00 H ATOM 749 HB3 ALA A 56 18.678 17.966 4.537 1.00 0.00 H ATOM 750 H ALA A 56 15.146 19.558 5.654 1.00 0.00 H ATOM 751 N ALA A 57 16.523 16.500 3.713 1.00 14.54 N ATOM 752 CA ALA A 57 16.066 15.107 3.803 1.00 14.34 C ATOM 753 C ALA A 57 17.256 14.195 4.080 1.00 14.27 C ATOM 754 O ALA A 57 18.365 14.407 3.595 1.00 17.06 O ATOM 755 CB ALA A 57 15.361 14.684 2.532 1.00 17.13 C ATOM 756 HA ALA A 57 15.352 15.026 4.623 1.00 0.00 H ATOM 757 HB1 ALA A 57 14.496 15.326 2.367 1.00 0.00 H ATOM 758 HB2 ALA A 57 16.048 14.774 1.690 1.00 0.00 H ATOM 759 HB3 ALA A 57 15.034 13.649 2.627 1.00 0.00 H ATOM 760 H ALA A 57 17.270 16.752 3.035 1.00 0.00 H ATOM 761 N VAL A 58 16.994 13.182 4.891 1.00 13.75 N ATOM 762 CA VAL A 58 18.013 12.243 5.321 1.00 14.80 C ATOM 763 C VAL A 58 17.520 10.834 5.009 1.00 14.18 C ATOM 764 O VAL A 58 16.380 10.518 5.370 1.00 16.38 O ATOM 765 CB VAL A 58 18.323 12.296 6.828 1.00 17.06 C ATOM 766 CG1 VAL A 58 19.422 11.328 7.241 1.00 22.66 C ATOM 767 CG2 VAL A 58 18.716 13.704 7.232 1.00 20.26 C ATOM 768 HA VAL A 58 18.927 12.512 4.791 1.00 0.00 H ATOM 769 HB VAL A 58 17.411 11.995 7.344 1.00 0.00 H ATOM 770 HG11 VAL A 58 19.117 10.310 7.000 1.00 0.00 H ATOM 771 HG12 VAL A 58 20.339 11.571 6.704 1.00 0.00 H ATOM 772 HG13 VAL A 58 19.594 11.412 8.314 1.00 0.00 H ATOM 773 HG21 VAL A 58 19.602 14.007 6.674 1.00 0.00 H ATOM 774 HG22 VAL A 58 17.895 14.386 7.012 1.00 0.00 H ATOM 775 HG23 VAL A 58 18.932 13.727 8.300 1.00 0.00 H ATOM 776 H VAL A 58 16.020 13.054 5.233 1.00 0.00 H ATOM 777 N ALA A 59 18.393 10.080 4.355 1.00 18.51 N ATOM 778 CA ALA A 59 18.246 8.638 4.210 1.00 19.44 C ATOM 779 C ALA A 59 18.962 7.959 5.375 1.00 18.13 C ATOM 780 O ALA A 59 20.177 8.091 5.542 1.00 23.59 O ATOM 781 CB ALA A 59 18.784 8.142 2.878 1.00 22.66 C ATOM 782 HA ALA A 59 17.185 8.387 4.226 1.00 0.00 H ATOM 783 HB1 ALA A 59 18.240 8.624 2.066 1.00 0.00 H ATOM 784 HB2 ALA A 59 19.844 8.386 2.802 1.00 0.00 H ATOM 785 HB3 ALA A 59 18.653 7.062 2.814 1.00 0.00 H ATOM 786 H ALA A 59 19.221 10.540 3.926 1.00 0.00 H ATOM 787 N LEU A 60 18.200 7.262 6.209 1.00 18.99 N ATOM 788 CA LEU A 60 18.781 6.632 7.385 1.00 17.81 C ATOM 789 C LEU A 60 18.551 5.123 7.323 1.00 21.54 C ATOM 790 O LEU A 60 17.395 4.700 7.369 1.00 20.40 O ATOM 791 CB LEU A 60 18.152 7.180 8.657 1.00 18.78 C ATOM 792 CG LEU A 60 18.679 6.678 10.000 1.00 22.02 C ATOM 793 CD1 LEU A 60 19.848 7.541 10.448 1.00 25.50 C ATOM 794 CD2 LEU A 60 17.561 6.669 11.031 1.00 25.08 C ATOM 795 HA LEU A 60 19.849 6.848 7.399 1.00 0.00 H ATOM 796 HB2 LEU A 60 18.284 8.262 8.642 1.00 0.00 H ATOM 797 HB3 LEU A 60 17.088 6.944 8.619 1.00 0.00 H ATOM 798 HG LEU A 60 19.037 5.654 9.893 1.00 0.00 H ATOM 799 HD21 LEU A 60 17.174 7.680 11.154 1.00 0.00 H ATOM 800 HD22 LEU A 60 16.761 6.011 10.692 1.00 0.00 H ATOM 801 HD23 LEU A 60 17.950 6.309 11.984 1.00 0.00 H ATOM 802 HD11 LEU A 60 20.643 7.487 9.705 1.00 0.00 H ATOM 803 HD12 LEU A 60 19.516 8.574 10.553 1.00 0.00 H ATOM 804 HD13 LEU A 60 20.220 7.178 11.406 1.00 0.00 H ATOM 805 H LEU A 60 17.182 7.166 6.021 1.00 0.00 H ATOM 806 N GLU A 61 19.621 4.363 7.221 1.00 24.62 N ATOM 807 CA GLU A 61 19.550 2.919 7.347 1.00 24.99 C ATOM 808 C GLU A 61 19.345 2.558 8.826 1.00 26.95 C ATOM 809 O GLU A 61 20.162 3.042 9.619 1.00 27.45 O ATOM 810 CB GLU A 61 20.844 2.295 6.845 1.00 31.33 C ATOM 811 CG GLU A 61 21.039 0.843 7.197 1.00 36.70 C ATOM 812 CD GLU A 61 20.134 -0.094 6.427 1.00 42.49 C ATOM 813 OE1 GLU A 61 19.833 0.203 5.250 1.00 52.99 O ATOM 814 OE2 GLU A 61 19.725 -1.127 7.007 1.00 51.53 O ATOM 815 HA GLU A 61 18.718 2.539 6.754 1.00 0.00 H ATOM 816 HB2 GLU A 61 20.861 2.383 5.759 1.00 0.00 H ATOM 817 HB3 GLU A 61 21.676 2.859 7.268 1.00 0.00 H ATOM 818 HG2 GLU A 61 22.074 0.573 6.987 1.00 0.00 H ATOM 819 HG3 GLU A 61 20.841 0.717 8.261 1.00 0.00 H ATOM 820 H GLU A 61 20.543 4.810 7.045 1.00 0.00 H ATOM 821 N THR A 62 18.327 1.749 9.098 1.00 27.50 N ATOM 822 CA THR A 62 17.992 1.336 10.451 1.00 22.83 C ATOM 823 C THR A 62 17.331 -0.034 10.561 1.00 26.76 C ATOM 824 O THR A 62 16.559 -0.458 9.711 1.00 27.22 O ATOM 825 CB THR A 62 17.071 2.394 11.109 1.00 22.14 C ATOM 826 OG1 THR A 62 16.949 2.112 12.509 1.00 29.09 O ATOM 827 CG2 THR A 62 15.687 2.329 10.488 1.00 25.52 C ATOM 828 HA THR A 62 18.947 1.254 10.970 1.00 0.00 H ATOM 829 HB THR A 62 17.502 3.383 10.956 1.00 0.00 H ATOM 830 HG1 THR A 62 17.844 2.144 12.930 1.00 0.00 H ATOM 831 HG23 THR A 62 15.759 2.541 9.421 1.00 0.00 H ATOM 832 HG21 THR A 62 15.271 1.332 10.635 1.00 0.00 H ATOM 833 HG22 THR A 62 15.042 3.067 10.964 1.00 0.00 H ATOM 834 H THR A 62 17.746 1.397 8.311 1.00 0.00 H ATOM 835 N SER A 63 17.681 -0.707 11.660 1.00 32.99 N ATOM 836 CA SER A 63 17.126 -1.994 12.037 1.00 33.50 C ATOM 837 C SER A 63 16.022 -1.811 13.071 1.00 30.13 C ATOM 838 O SER A 63 15.461 -2.765 13.598 1.00 32.97 O ATOM 839 CB SER A 63 18.203 -2.934 12.594 1.00 35.08 C ATOM 840 OG SER A 63 19.234 -3.086 11.631 1.00 42.57 O ATOM 841 HA SER A 63 16.712 -2.448 11.137 1.00 0.00 H ATOM 842 HB2 SER A 63 17.761 -3.906 12.812 1.00 0.00 H ATOM 843 HB3 SER A 63 18.618 -2.512 13.509 1.00 0.00 H ATOM 844 HG SER A 63 19.931 -3.692 11.988 1.00 0.00 H ATOM 845 H SER A 63 18.396 -0.282 12.285 1.00 0.00 H ATOM 846 N LEU A 64 15.710 -0.546 13.353 1.00 29.28 N ATOM 847 CA LEU A 64 14.687 -0.219 14.327 1.00 28.55 C ATOM 848 C LEU A 64 13.281 -0.379 13.773 1.00 24.85 C ATOM 849 O LEU A 64 13.066 -0.099 12.593 1.00 31.50 O ATOM 850 CB LEU A 64 14.838 1.236 14.783 1.00 28.94 C ATOM 851 CG LEU A 64 16.114 1.542 15.578 1.00 24.12 C ATOM 852 CD1 LEU A 64 16.191 3.036 15.855 1.00 25.83 C ATOM 853 CD2 LEU A 64 16.143 0.753 16.864 1.00 28.74 C ATOM 854 HA LEU A 64 14.823 -0.913 15.156 1.00 0.00 H ATOM 855 HB2 LEU A 64 14.833 1.870 13.896 1.00 0.00 H ATOM 856 HB3 LEU A 64 13.982 1.484 15.410 1.00 0.00 H ATOM 857 HG LEU A 64 16.983 1.246 14.990 1.00 0.00 H ATOM 858 HD21 LEU A 64 15.277 1.018 17.471 1.00 0.00 H ATOM 859 HD22 LEU A 64 16.116 -0.312 16.636 1.00 0.00 H ATOM 860 HD23 LEU A 64 17.057 0.986 17.411 1.00 0.00 H ATOM 861 HD11 LEU A 64 16.211 3.579 14.910 1.00 0.00 H ATOM 862 HD12 LEU A 64 15.319 3.342 16.433 1.00 0.00 H ATOM 863 HD13 LEU A 64 17.098 3.253 16.420 1.00 0.00 H ATOM 864 H LEU A 64 16.211 0.223 12.864 1.00 0.00 H ATOM 865 N ALA A 65 12.345 -0.785 14.633 1.00 27.13 N ATOM 866 CA ALA A 65 10.950 -0.729 14.154 1.00 26.12 C ATOM 867 C ALA A 65 10.573 0.742 14.030 1.00 22.81 C ATOM 868 O ALA A 65 11.230 1.581 14.679 1.00 23.67 O ATOM 869 CB ALA A 65 10.041 -1.493 15.080 1.00 28.41 C ATOM 870 HA ALA A 65 10.843 -1.206 13.180 1.00 0.00 H ATOM 871 HB1 ALA A 65 10.359 -2.535 15.122 1.00 0.00 H ATOM 872 HB2 ALA A 65 10.090 -1.056 16.078 1.00 0.00 H ATOM 873 HB3 ALA A 65 9.018 -1.439 14.709 1.00 0.00 H ATOM 874 H ALA A 65 12.585 -1.122 15.587 1.00 0.00 H ATOM 875 N PRO A 66 9.573 1.058 13.228 1.00 23.46 N ATOM 876 CA PRO A 66 9.212 2.452 13.003 1.00 19.75 C ATOM 877 C PRO A 66 8.879 3.231 14.279 1.00 21.51 C ATOM 878 O PRO A 66 9.217 4.406 14.377 1.00 20.54 O ATOM 879 CB PRO A 66 7.953 2.381 12.141 1.00 19.77 C ATOM 880 CG PRO A 66 7.688 0.967 11.818 1.00 22.87 C ATOM 881 CD PRO A 66 8.725 0.125 12.469 1.00 22.80 C ATOM 882 HA PRO A 66 10.055 2.977 12.554 1.00 0.00 H ATOM 883 HD3 PRO A 66 8.262 -0.600 13.139 1.00 0.00 H ATOM 884 HD2 PRO A 66 9.315 -0.401 11.718 1.00 0.00 H ATOM 885 HG3 PRO A 66 7.725 0.824 10.738 1.00 0.00 H ATOM 886 HG2 PRO A 66 6.702 0.685 12.187 1.00 0.00 H ATOM 887 HB2 PRO A 66 7.108 2.798 12.688 1.00 0.00 H ATOM 888 HB3 PRO A 66 8.104 2.947 11.222 1.00 0.00 H ATOM 889 N GLU A 67 8.203 2.599 15.222 1.00 25.80 N ATOM 890 CA GLU A 67 7.823 3.296 16.449 1.00 29.08 C ATOM 891 C GLU A 67 9.075 3.543 17.302 1.00 26.68 C ATOM 892 O GLU A 67 9.097 4.566 17.976 1.00 32.56 O ATOM 893 CB GLU A 67 6.735 2.593 17.240 1.00 29.95 C ATOM 894 CG GLU A 67 6.940 1.184 17.707 1.00 34.03 C ATOM 895 CD GLU A 67 6.693 0.078 16.709 1.00 31.99 C ATOM 896 OE1 GLU A 67 6.696 0.304 15.481 1.00 26.97 O ATOM 897 OE2 GLU A 67 6.511 -1.099 17.144 1.00 36.57 O ATOM 898 HA GLU A 67 7.384 4.250 16.158 1.00 0.00 H ATOM 899 HB2 GLU A 67 6.552 3.196 18.129 1.00 0.00 H ATOM 900 HB3 GLU A 67 5.842 2.591 16.615 1.00 0.00 H ATOM 901 HG2 GLU A 67 7.974 1.097 18.042 1.00 0.00 H ATOM 902 HG3 GLU A 67 6.271 1.018 18.551 1.00 0.00 H ATOM 903 H GLU A 67 7.940 1.601 15.091 1.00 0.00 H ATOM 904 N GLU A 68 10.043 2.639 17.269 1.00 31.57 N ATOM 905 CA GLU A 68 11.312 2.849 17.945 1.00 31.47 C ATOM 906 C GLU A 68 11.960 4.103 17.316 1.00 26.83 C ATOM 907 O GLU A 68 12.409 4.979 18.041 1.00 31.48 O ATOM 908 CB GLU A 68 12.295 1.697 17.861 1.00 34.00 C ATOM 909 CG GLU A 68 11.938 0.400 18.558 1.00 36.52 C ATOM 910 CD GLU A 68 12.956 -0.711 18.408 1.00 40.19 C ATOM 911 OE1 GLU A 68 13.080 -1.307 17.309 1.00 45.90 O ATOM 912 OE2 GLU A 68 13.629 -1.014 19.426 1.00 46.22 O ATOM 913 HA GLU A 68 11.090 2.955 19.007 1.00 0.00 H ATOM 914 HB2 GLU A 68 12.436 1.468 16.805 1.00 0.00 H ATOM 915 HB3 GLU A 68 13.237 2.044 18.286 1.00 0.00 H ATOM 916 HG2 GLU A 68 11.820 0.609 19.621 1.00 0.00 H ATOM 917 HG3 GLU A 68 10.990 0.047 18.151 1.00 0.00 H ATOM 918 H GLU A 68 9.890 1.754 16.744 1.00 0.00 H ATOM 919 N LEU A 69 12.005 4.156 15.987 1.00 23.02 N ATOM 920 CA LEU A 69 12.629 5.294 15.303 1.00 20.09 C ATOM 921 C LEU A 69 11.957 6.589 15.726 1.00 21.25 C ATOM 922 O LEU A 69 12.591 7.614 15.999 1.00 19.63 O ATOM 923 CB LEU A 69 12.585 5.135 13.780 1.00 21.91 C ATOM 924 CG LEU A 69 13.140 6.331 13.012 1.00 19.56 C ATOM 925 CD1 LEU A 69 14.611 6.546 13.339 1.00 19.45 C ATOM 926 CD2 LEU A 69 12.913 6.144 11.521 1.00 24.47 C ATOM 927 HA LEU A 69 13.679 5.326 15.595 1.00 0.00 H ATOM 928 HB2 LEU A 69 13.168 4.254 13.511 1.00 0.00 H ATOM 929 HB3 LEU A 69 11.547 4.987 13.481 1.00 0.00 H ATOM 930 HG LEU A 69 12.607 7.230 13.321 1.00 0.00 H ATOM 931 HD21 LEU A 69 13.419 5.238 11.189 1.00 0.00 H ATOM 932 HD22 LEU A 69 11.844 6.057 11.326 1.00 0.00 H ATOM 933 HD23 LEU A 69 13.313 7.004 10.983 1.00 0.00 H ATOM 934 HD11 LEU A 69 14.721 6.731 14.407 1.00 0.00 H ATOM 935 HD12 LEU A 69 15.177 5.656 13.063 1.00 0.00 H ATOM 936 HD13 LEU A 69 14.985 7.404 12.780 1.00 0.00 H ATOM 937 H LEU A 69 11.593 3.382 15.427 1.00 0.00 H ATOM 938 N LEU A 70 10.629 6.531 15.797 1.00 19.99 N ATOM 939 CA LEU A 70 9.924 7.737 16.241 1.00 19.49 C ATOM 940 C LEU A 70 10.284 8.149 17.667 1.00 20.37 C ATOM 941 O LEU A 70 10.430 9.358 17.933 1.00 20.66 O ATOM 942 CB LEU A 70 8.407 7.562 16.144 1.00 22.75 C ATOM 943 CG LEU A 70 7.534 8.762 16.512 1.00 25.74 C ATOM 944 CD1 LEU A 70 7.675 9.883 15.499 1.00 23.43 C ATOM 945 CD2 LEU A 70 6.073 8.345 16.613 1.00 26.80 C ATOM 946 HA LEU A 70 10.250 8.529 15.567 1.00 0.00 H ATOM 947 HB2 LEU A 70 8.174 7.292 15.114 1.00 0.00 H ATOM 948 HB3 LEU A 70 8.130 6.741 16.805 1.00 0.00 H ATOM 949 HG LEU A 70 7.874 9.130 17.480 1.00 0.00 H ATOM 950 HD21 LEU A 70 5.743 7.946 15.654 1.00 0.00 H ATOM 951 HD22 LEU A 70 5.967 7.579 17.382 1.00 0.00 H ATOM 952 HD23 LEU A 70 5.466 9.212 16.876 1.00 0.00 H ATOM 953 HD11 LEU A 70 8.714 10.210 15.463 1.00 0.00 H ATOM 954 HD12 LEU A 70 7.371 9.523 14.516 1.00 0.00 H ATOM 955 HD13 LEU A 70 7.040 10.719 15.793 1.00 0.00 H ATOM 956 H LEU A 70 10.112 5.664 15.547 1.00 0.00 H ATOM 957 N ASN A 71 10.420 7.176 18.570 1.00 23.95 N ATOM 958 CA ASN A 71 10.847 7.557 19.934 1.00 28.14 C ATOM 959 C ASN A 71 12.170 8.313 19.851 1.00 28.07 C ATOM 960 O ASN A 71 12.371 9.366 20.456 1.00 27.80 O ATOM 961 CB ASN A 71 10.913 6.313 20.818 1.00 30.64 C ATOM 962 CG ASN A 71 9.544 5.682 20.996 1.00 36.80 C ATOM 963 OD1 ASN A 71 8.524 6.357 20.834 1.00 37.44 O ATOM 964 ND2 ASN A 71 9.534 4.401 21.332 1.00 47.99 N ATOM 965 HA ASN A 71 10.124 8.228 20.397 1.00 0.00 H ATOM 966 HB2 ASN A 71 11.581 5.586 20.357 1.00 0.00 H ATOM 967 HB3 ASN A 71 11.303 6.594 21.796 1.00 0.00 H ATOM 968 HD22 ASN A 71 10.431 3.888 21.453 1.00 0.00 H ATOM 969 HD21 ASN A 71 8.630 3.908 21.475 1.00 0.00 H ATOM 970 H ASN A 71 10.232 6.183 18.323 1.00 0.00 H ATOM 971 N HIS A 72 13.096 7.824 19.012 1.00 24.21 N ATOM 972 CA HIS A 72 14.367 8.532 18.869 1.00 24.06 C ATOM 973 C HIS A 72 14.262 9.897 18.224 1.00 21.09 C ATOM 974 O HIS A 72 14.904 10.839 18.706 1.00 19.10 O ATOM 975 CB HIS A 72 15.395 7.728 18.046 1.00 27.00 C ATOM 976 CG HIS A 72 15.956 6.614 18.871 1.00 30.43 C ATOM 977 ND1 HIS A 72 17.149 6.759 19.555 1.00 34.66 N ATOM 978 CD2 HIS A 72 15.531 5.365 19.157 1.00 32.72 C ATOM 979 CE1 HIS A 72 17.419 5.643 20.203 1.00 36.88 C ATOM 980 NE2 HIS A 72 16.446 4.775 19.977 1.00 37.55 N ATOM 981 HA HIS A 72 14.694 8.656 19.902 1.00 0.00 H ATOM 982 HB2 HIS A 72 14.906 7.313 17.164 1.00 0.00 H ATOM 983 HB3 HIS A 72 16.204 8.389 17.734 1.00 0.00 H ATOM 984 HD2 HIS A 72 14.612 4.906 18.794 1.00 0.00 H ATOM 985 HE1 HIS A 72 18.298 5.465 20.822 1.00 0.00 H ATOM 986 H HIS A 72 12.912 6.955 18.472 1.00 0.00 H ATOM 987 N THR A 73 13.496 10.029 17.142 1.00 18.23 N ATOM 988 CA THR A 73 13.462 11.369 16.544 1.00 17.32 C ATOM 989 C THR A 73 12.791 12.348 17.493 1.00 17.46 C ATOM 990 O THR A 73 13.189 13.515 17.548 1.00 15.88 O ATOM 991 CB THR A 73 12.776 11.373 15.159 1.00 15.01 C ATOM 992 OG1 THR A 73 11.472 10.806 15.263 1.00 16.50 O ATOM 993 CG2 THR A 73 13.573 10.522 14.182 1.00 14.41 C ATOM 994 HA THR A 73 14.492 11.687 16.382 1.00 0.00 H ATOM 995 HB THR A 73 12.719 12.403 14.808 1.00 0.00 H ATOM 996 HG1 THR A 73 10.931 11.339 15.898 1.00 0.00 H ATOM 997 HG23 THR A 73 14.578 10.932 14.081 1.00 0.00 H ATOM 998 HG21 THR A 73 13.632 9.500 14.556 1.00 0.00 H ATOM 999 HG22 THR A 73 13.078 10.526 13.211 1.00 0.00 H ATOM 1000 H THR A 73 12.956 9.233 16.746 1.00 0.00 H ATOM 1001 N GLN A 74 11.788 11.878 18.236 1.00 17.47 N ATOM 1002 CA GLN A 74 11.091 12.732 19.181 1.00 18.60 C ATOM 1003 C GLN A 74 12.033 13.122 20.327 1.00 20.65 C ATOM 1004 O GLN A 74 12.016 14.279 20.742 1.00 22.11 O ATOM 1005 CB GLN A 74 9.803 12.112 19.720 1.00 21.95 C ATOM 1006 CG GLN A 74 8.622 12.269 18.788 1.00 19.47 C ATOM 1007 CD GLN A 74 7.368 11.540 19.216 1.00 24.75 C ATOM 1008 OE1 GLN A 74 7.340 10.785 20.183 1.00 34.95 O ATOM 1009 NE2 GLN A 74 6.278 11.751 18.480 1.00 27.99 N ATOM 1010 HA GLN A 74 10.787 13.627 18.638 1.00 0.00 H ATOM 1011 HB2 GLN A 74 9.974 11.048 19.884 1.00 0.00 H ATOM 1012 HB3 GLN A 74 9.560 12.590 20.669 1.00 0.00 H ATOM 1013 HG2 GLN A 74 8.388 13.331 18.715 1.00 0.00 H ATOM 1014 HG3 GLN A 74 8.913 11.894 17.807 1.00 0.00 H ATOM 1015 HE22 GLN A 74 6.318 12.394 17.664 1.00 0.00 H ATOM 1016 HE21 GLN A 74 5.387 11.273 18.722 1.00 0.00 H ATOM 1017 H GLN A 74 11.500 10.883 18.137 1.00 0.00 H ATOM 1018 N ARG A 75 12.850 12.178 20.777 1.00 19.83 N ATOM 1019 CA ARG A 75 13.856 12.503 21.791 1.00 20.19 C ATOM 1020 C ARG A 75 14.791 13.584 21.248 1.00 21.00 C ATOM 1021 O ARG A 75 15.138 14.532 21.948 1.00 22.35 O ATOM 1022 CB ARG A 75 14.648 11.271 22.207 1.00 21.01 C ATOM 1023 CG ARG A 75 15.881 11.598 23.048 1.00 24.53 C ATOM 1024 CD ARG A 75 16.743 10.367 23.335 1.00 26.16 C ATOM 1025 NE ARG A 75 17.136 9.648 22.115 1.00 27.27 N ATOM 1026 CZ ARG A 75 18.217 9.953 21.385 1.00 26.84 C ATOM 1027 NH1 ARG A 75 19.026 10.961 21.738 1.00 33.42 N ATOM 1028 NH2 ARG A 75 18.575 9.302 20.271 1.00 24.24 N ATOM 1029 HA ARG A 75 13.345 12.875 22.679 1.00 0.00 H ATOM 1030 HB2 ARG A 75 13.995 10.620 22.789 1.00 0.00 H ATOM 1031 HB3 ARG A 75 14.972 10.748 21.307 1.00 0.00 H ATOM 1032 HG2 ARG A 75 16.485 12.330 22.512 1.00 0.00 H ATOM 1033 HG3 ARG A 75 15.554 12.024 23.997 1.00 0.00 H ATOM 1034 HD2 ARG A 75 16.178 9.687 23.973 1.00 0.00 H ATOM 1035 HD3 ARG A 75 17.645 10.687 23.856 1.00 0.00 H ATOM 1036 HE ARG A 75 16.540 8.856 21.800 1.00 0.00 H ATOM 1037 HH12 ARG A 75 19.861 11.184 21.160 1.00 0.00 H ATOM 1038 HH11 ARG A 75 18.819 11.520 22.590 1.00 0.00 H ATOM 1039 HH22 ARG A 75 19.428 9.591 19.751 1.00 0.00 H ATOM 1040 HH21 ARG A 75 18.000 8.507 19.926 1.00 0.00 H ATOM 1041 H ARG A 75 12.776 11.208 20.410 1.00 0.00 H ATOM 1042 N ILE A 76 15.215 13.430 19.999 1.00 21.80 N ATOM 1043 CA ILE A 76 16.186 14.375 19.417 1.00 17.89 C ATOM 1044 C ILE A 76 15.549 15.757 19.322 1.00 20.43 C ATOM 1045 O ILE A 76 16.187 16.779 19.587 1.00 19.70 O ATOM 1046 CB ILE A 76 16.755 13.880 18.074 1.00 16.96 C ATOM 1047 CG1 ILE A 76 17.547 12.573 18.280 1.00 17.98 C ATOM 1048 CG2 ILE A 76 17.558 14.966 17.391 1.00 16.09 C ATOM 1049 CD1 ILE A 76 17.964 11.846 17.038 1.00 19.13 C ATOM 1050 HA ILE A 76 17.051 14.443 20.077 1.00 0.00 H ATOM 1051 HB ILE A 76 15.932 13.647 17.398 1.00 0.00 H ATOM 1052 HG12 ILE A 76 18.449 12.816 18.841 1.00 0.00 H ATOM 1053 HG13 ILE A 76 16.926 11.897 18.868 1.00 0.00 H ATOM 1054 HD11 ILE A 76 17.079 11.573 16.464 1.00 0.00 H ATOM 1055 HD12 ILE A 76 18.603 12.493 16.437 1.00 0.00 H ATOM 1056 HD13 ILE A 76 18.512 10.945 17.313 1.00 0.00 H ATOM 1057 HG21 ILE A 76 16.916 15.827 17.203 1.00 0.00 H ATOM 1058 HG22 ILE A 76 18.387 15.262 18.034 1.00 0.00 H ATOM 1059 HG23 ILE A 76 17.947 14.588 16.446 1.00 0.00 H ATOM 1060 H ILE A 76 14.860 12.637 19.427 1.00 0.00 H ATOM 1061 N GLU A 77 14.265 15.789 18.950 1.00 17.80 N ATOM 1062 CA GLU A 77 13.610 17.096 18.935 1.00 16.75 C ATOM 1063 C GLU A 77 13.675 17.772 20.293 1.00 18.01 C ATOM 1064 O GLU A 77 13.970 18.984 20.406 1.00 20.20 O ATOM 1065 CB GLU A 77 12.142 17.012 18.519 1.00 15.55 C ATOM 1066 CG GLU A 77 11.927 16.718 17.051 1.00 15.77 C ATOM 1067 CD GLU A 77 10.472 16.526 16.705 1.00 16.44 C ATOM 1068 OE1 GLU A 77 9.633 16.235 17.570 1.00 23.75 O ATOM 1069 OE2 GLU A 77 10.098 16.652 15.525 1.00 17.89 O ATOM 1070 HA GLU A 77 14.158 17.683 18.198 1.00 0.00 H ATOM 1071 HB2 GLU A 77 11.667 16.221 19.099 1.00 0.00 H ATOM 1072 HB3 GLU A 77 11.666 17.965 18.750 1.00 0.00 H ATOM 1073 HG2 GLU A 77 12.318 17.551 16.467 1.00 0.00 H ATOM 1074 HG3 GLU A 77 12.470 15.809 16.794 1.00 0.00 H ATOM 1075 H GLU A 77 13.755 14.923 18.683 1.00 0.00 H ATOM 1076 N LEU A 78 13.414 17.037 21.375 1.00 20.24 N ATOM 1077 CA LEU A 78 13.503 17.628 22.692 1.00 20.14 C ATOM 1078 C LEU A 78 14.916 18.002 23.101 1.00 19.45 C ATOM 1079 O LEU A 78 15.131 19.065 23.669 1.00 19.45 O ATOM 1080 CB LEU A 78 12.978 16.588 23.670 1.00 20.82 C ATOM 1081 CG LEU A 78 11.466 16.397 23.678 1.00 24.43 C ATOM 1082 CD1 LEU A 78 11.132 15.141 24.451 1.00 30.29 C ATOM 1083 CD2 LEU A 78 10.810 17.633 24.294 1.00 25.16 C ATOM 1084 HA LEU A 78 12.929 18.555 22.690 1.00 0.00 H ATOM 1085 HB2 LEU A 78 13.436 15.631 23.420 1.00 0.00 H ATOM 1086 HB3 LEU A 78 13.284 16.885 24.673 1.00 0.00 H ATOM 1087 HG LEU A 78 11.084 16.282 22.664 1.00 0.00 H ATOM 1088 HD21 LEU A 78 11.170 17.763 25.315 1.00 0.00 H ATOM 1089 HD22 LEU A 78 11.066 18.512 23.702 1.00 0.00 H ATOM 1090 HD23 LEU A 78 9.728 17.502 24.303 1.00 0.00 H ATOM 1091 HD11 LEU A 78 11.609 14.285 23.974 1.00 0.00 H ATOM 1092 HD12 LEU A 78 11.496 15.238 25.474 1.00 0.00 H ATOM 1093 HD13 LEU A 78 10.051 14.998 24.461 1.00 0.00 H ATOM 1094 H LEU A 78 13.146 16.037 21.271 1.00 0.00 H ATOM 1095 N GLN A 79 15.897 17.160 22.818 1.00 19.67 N ATOM 1096 CA GLN A 79 17.250 17.373 23.316 1.00 22.23 C ATOM 1097 C GLN A 79 18.019 18.422 22.520 1.00 22.09 C ATOM 1098 O GLN A 79 18.804 19.190 23.076 1.00 25.40 O ATOM 1099 CB GLN A 79 18.059 16.072 23.277 1.00 23.68 C ATOM 1100 CG GLN A 79 17.551 15.041 24.285 1.00 24.42 C ATOM 1101 CD GLN A 79 18.253 13.700 24.164 1.00 25.00 C ATOM 1102 OE1 GLN A 79 18.713 13.330 23.089 1.00 25.38 O ATOM 1103 NE2 GLN A 79 18.336 12.995 25.291 1.00 23.78 N ATOM 1104 HA GLN A 79 17.130 17.727 24.340 1.00 0.00 H ATOM 1105 HB2 GLN A 79 17.991 15.647 22.276 1.00 0.00 H ATOM 1106 HB3 GLN A 79 19.101 16.300 23.503 1.00 0.00 H ATOM 1107 HG2 GLN A 79 17.712 15.429 25.291 1.00 0.00 H ATOM 1108 HG3 GLN A 79 16.484 14.891 24.122 1.00 0.00 H ATOM 1109 HE22 GLN A 79 17.923 13.368 26.170 1.00 0.00 H ATOM 1110 HE21 GLN A 79 18.813 12.071 25.292 1.00 0.00 H ATOM 1111 H GLN A 79 15.698 16.328 22.227 1.00 0.00 H ATOM 1112 N GLN A 80 17.806 18.425 21.212 1.00 19.44 N ATOM 1113 CA GLN A 80 18.559 19.316 20.328 1.00 21.00 C ATOM 1114 C GLN A 80 17.799 20.534 19.865 1.00 19.42 C ATOM 1115 O GLN A 80 18.351 21.464 19.258 1.00 21.91 O ATOM 1116 CB GLN A 80 18.969 18.552 19.067 1.00 20.50 C ATOM 1117 CG GLN A 80 19.963 17.444 19.275 1.00 20.62 C ATOM 1118 CD GLN A 80 21.092 17.793 20.204 1.00 20.21 C ATOM 1119 OE1 GLN A 80 21.719 18.849 20.061 1.00 21.59 O ATOM 1120 NE2 GLN A 80 21.340 16.899 21.161 1.00 23.52 N ATOM 1121 HA GLN A 80 19.407 19.655 20.923 1.00 0.00 H ATOM 1122 HB2 GLN A 80 18.070 18.119 18.629 1.00 0.00 H ATOM 1123 HB3 GLN A 80 19.404 19.266 18.368 1.00 0.00 H ATOM 1124 HG2 GLN A 80 19.435 16.584 19.687 1.00 0.00 H ATOM 1125 HG3 GLN A 80 20.387 17.179 18.306 1.00 0.00 H ATOM 1126 HE22 GLN A 80 20.771 16.031 21.221 1.00 0.00 H ATOM 1127 HE21 GLN A 80 22.102 17.070 21.847 1.00 0.00 H ATOM 1128 H GLN A 80 17.093 17.785 20.808 1.00 0.00 H ATOM 1129 N GLY A 81 16.492 20.566 20.106 1.00 18.58 N ATOM 1130 CA GLY A 81 15.719 21.719 19.620 1.00 17.36 C ATOM 1131 C GLY A 81 16.031 22.922 20.481 1.00 18.77 C ATOM 1132 O GLY A 81 15.851 22.824 21.688 1.00 20.07 O ATOM 1133 HA3 GLY A 81 14.654 21.495 19.677 1.00 0.00 H ATOM 1134 HA2 GLY A 81 15.989 21.930 18.585 1.00 0.00 H ATOM 1135 H GLY A 81 16.027 19.794 20.626 1.00 0.00 H ATOM 1136 N ARG A 82 16.440 24.021 19.857 1.00 20.19 N ATOM 1137 CA ARG A 82 16.750 25.312 20.442 1.00 27.46 C ATOM 1138 C ARG A 82 15.554 25.765 21.283 1.00 37.45 C ATOM 1139 O ARG A 82 15.712 26.430 22.316 1.00 52.69 O ATOM 1140 CB ARG A 82 17.077 26.255 19.309 1.00 29.17 C ATOM 1141 CG ARG A 82 18.479 26.860 19.405 1.00 30.77 C ATOM 1142 CD ARG A 82 18.928 27.097 20.846 1.00 29.51 C ATOM 1143 NE ARG A 82 19.377 28.474 21.095 1.00 28.09 N ATOM 1144 CZ ARG A 82 20.157 28.824 22.125 1.00 27.89 C ATOM 1145 NH1 ARG A 82 20.583 27.909 23.007 1.00 34.21 N ATOM 1146 NH2 ARG A 82 20.570 30.076 22.363 1.00 38.04 N ATOM 1147 HA ARG A 82 17.611 25.278 21.110 1.00 0.00 H ATOM 1148 HB2 ARG A 82 17.001 25.706 18.370 1.00 0.00 H ATOM 1149 HB3 ARG A 82 16.349 27.067 19.314 1.00 0.00 H ATOM 1150 HG2 ARG A 82 19.185 26.180 18.928 1.00 0.00 H ATOM 1151 HG3 ARG A 82 18.483 27.814 18.878 1.00 0.00 H ATOM 1152 HD2 ARG A 82 19.752 26.419 21.068 1.00 0.00 H ATOM 1153 HD3 ARG A 82 18.091 26.880 21.510 1.00 0.00 H ATOM 1154 HE ARG A 82 19.072 29.217 20.435 1.00 0.00 H ATOM 1155 HH12 ARG A 82 21.189 28.196 23.802 1.00 0.00 H ATOM 1156 HH11 ARG A 82 20.308 26.912 22.896 1.00 0.00 H ATOM 1157 HH22 ARG A 82 21.176 30.276 23.184 1.00 0.00 H ATOM 1158 HH21 ARG A 82 20.285 30.848 21.727 1.00 0.00 H ATOM 1159 H ARG A 82 16.551 23.947 18.826 1.00 0.00 H ATOM 1160 N GLY A 83 14.389 25.367 20.809 1.00 43.78 N ATOM 1161 CA GLY A 83 13.108 25.658 21.469 1.00 39.48 C ATOM 1162 C GLY A 83 12.259 24.406 21.519 1.00 39.72 C ATOM 1163 O GLY A 83 11.032 24.458 21.377 1.00 44.79 O ATOM 1164 HA3 GLY A 83 12.580 26.431 20.910 1.00 0.00 H ATOM 1165 HA2 GLY A 83 13.295 26.009 22.484 1.00 0.00 H ATOM 1166 H GLY A 83 14.376 24.820 19.924 1.00 0.00 H ATOM 1167 N GLY A 90 12.942 23.295 21.726 1.00 41.46 N ATOM 1168 CA GLY A 90 12.321 21.968 21.819 1.00 43.36 C ATOM 1169 C GLY A 90 11.761 21.557 20.451 1.00 38.92 C ATOM 1170 O GLY A 90 12.270 21.977 19.401 1.00 48.88 O ATOM 1171 HA3 GLY A 90 11.511 21.998 22.547 1.00 0.00 H ATOM 1172 HA2 GLY A 90 13.068 21.241 22.138 1.00 0.00 H ATOM 1173 H GLY A 90 13.975 23.364 21.829 1.00 0.00 H ATOM 1174 N PRO A 91 10.717 20.740 20.423 1.00 37.34 N ATOM 1175 CA PRO A 91 10.127 20.315 19.149 1.00 41.48 C ATOM 1176 C PRO A 91 9.669 21.445 18.242 1.00 43.14 C ATOM 1177 O PRO A 91 9.549 21.304 17.022 1.00 48.82 O ATOM 1178 CB PRO A 91 8.882 19.541 19.588 1.00 42.32 C ATOM 1179 CG PRO A 91 9.104 19.165 21.011 1.00 42.67 C ATOM 1180 CD PRO A 91 10.055 20.155 21.597 1.00 39.14 C ATOM 1181 HA PRO A 91 10.868 19.766 18.568 1.00 0.00 H ATOM 1182 HD3 PRO A 91 9.522 20.918 22.163 1.00 0.00 H ATOM 1183 HD2 PRO A 91 10.779 19.662 22.246 1.00 0.00 H ATOM 1184 HG3 PRO A 91 9.528 18.163 21.069 1.00 0.00 H ATOM 1185 HG2 PRO A 91 8.159 19.190 21.554 1.00 0.00 H ATOM 1186 HB2 PRO A 91 7.995 20.169 19.497 1.00 0.00 H ATOM 1187 HB3 PRO A 91 8.757 18.648 18.976 1.00 0.00 H ATOM 1188 N ARG A 92 9.372 22.630 18.771 1.00 44.74 N ATOM 1189 CA ARG A 92 8.875 23.639 17.833 1.00 51.26 C ATOM 1190 C ARG A 92 9.892 24.217 16.858 1.00 45.30 C ATOM 1191 O ARG A 92 9.426 24.505 15.736 1.00 48.45 O ATOM 1192 CB ARG A 92 8.231 24.749 18.671 1.00 61.79 C ATOM 1193 CG ARG A 92 6.927 24.286 19.317 1.00 71.80 C ATOM 1194 CD ARG A 92 6.950 24.432 20.852 1.00 82.20 C ATOM 1195 NE ARG A 92 5.626 24.870 21.327 1.00 87.21 N ATOM 1196 CZ ARG A 92 5.289 25.152 22.583 1.00 88.96 C ATOM 1197 NH1 ARG A 92 6.187 25.041 23.559 1.00 89.38 N ATOM 1198 NH2 ARG A 92 4.046 25.544 22.864 1.00 93.35 N ATOM 1199 HA ARG A 92 8.167 23.138 17.173 1.00 0.00 H ATOM 1200 HB2 ARG A 92 8.927 25.049 19.455 1.00 0.00 H ATOM 1201 HB3 ARG A 92 8.022 25.603 18.026 1.00 0.00 H ATOM 1202 HG2 ARG A 92 6.107 24.884 18.920 1.00 0.00 H ATOM 1203 HG3 ARG A 92 6.764 23.238 19.067 1.00 0.00 H ATOM 1204 HD2 ARG A 92 7.700 25.171 21.135 1.00 0.00 H ATOM 1205 HD3 ARG A 92 7.199 23.472 21.304 1.00 0.00 H ATOM 1206 HE ARG A 92 4.880 24.969 20.609 1.00 0.00 H ATOM 1207 HH12 ARG A 92 5.920 25.262 24.539 1.00 0.00 H ATOM 1208 HH11 ARG A 92 7.156 24.733 23.341 1.00 0.00 H ATOM 1209 HH22 ARG A 92 3.780 25.765 23.845 1.00 0.00 H ATOM 1210 HH21 ARG A 92 3.343 25.629 22.102 1.00 0.00 H ATOM 1211 H ARG A 92 9.486 22.827 19.786 1.00 0.00 H ATOM 1212 N THR A 93 11.169 24.402 17.146 1.00 38.55 N ATOM 1213 CA THR A 93 12.216 24.920 16.268 1.00 31.95 C ATOM 1214 C THR A 93 13.102 23.856 15.613 1.00 30.35 C ATOM 1215 O THR A 93 14.117 24.084 14.929 1.00 34.07 O ATOM 1216 CB THR A 93 13.207 25.762 17.098 1.00 31.45 C ATOM 1217 OG1 THR A 93 13.700 24.889 18.139 1.00 24.57 O ATOM 1218 CG2 THR A 93 12.564 26.970 17.757 1.00 36.63 C ATOM 1219 HA THR A 93 11.670 25.465 15.498 1.00 0.00 H ATOM 1220 HB THR A 93 13.985 26.143 16.436 1.00 0.00 H ATOM 1221 HG1 THR A 93 14.345 25.383 18.705 1.00 0.00 H ATOM 1222 HG23 THR A 93 12.185 27.643 16.988 1.00 0.00 H ATOM 1223 HG21 THR A 93 11.741 26.641 18.392 1.00 0.00 H ATOM 1224 HG22 THR A 93 13.306 27.490 18.363 1.00 0.00 H ATOM 1225 H THR A 93 11.463 24.149 18.111 1.00 0.00 H ATOM 1226 N LEU A 94 12.777 22.601 15.838 1.00 21.82 N ATOM 1227 CA LEU A 94 13.413 21.465 15.181 1.00 16.23 C ATOM 1228 C LEU A 94 12.327 20.426 14.965 1.00 14.07 C ATOM 1229 O LEU A 94 11.720 20.001 15.942 1.00 17.81 O ATOM 1230 CB LEU A 94 14.578 20.918 16.013 1.00 18.09 C ATOM 1231 CG LEU A 94 15.199 19.622 15.453 1.00 15.88 C ATOM 1232 CD1 LEU A 94 15.769 19.870 14.083 1.00 21.68 C ATOM 1233 CD2 LEU A 94 16.282 19.088 16.371 1.00 16.15 C ATOM 1234 HA LEU A 94 13.851 21.759 14.227 1.00 0.00 H ATOM 1235 HB2 LEU A 94 15.356 21.680 16.055 1.00 0.00 H ATOM 1236 HB3 LEU A 94 14.214 20.716 17.020 1.00 0.00 H ATOM 1237 HG LEU A 94 14.409 18.874 15.387 1.00 0.00 H ATOM 1238 HD21 LEU A 94 17.070 19.834 16.474 1.00 0.00 H ATOM 1239 HD22 LEU A 94 15.853 18.873 17.350 1.00 0.00 H ATOM 1240 HD23 LEU A 94 16.698 18.174 15.947 1.00 0.00 H ATOM 1241 HD11 LEU A 94 14.975 20.204 13.415 1.00 0.00 H ATOM 1242 HD12 LEU A 94 16.540 20.638 14.145 1.00 0.00 H ATOM 1243 HD13 LEU A 94 16.204 18.947 13.699 1.00 0.00 H ATOM 1244 H LEU A 94 12.021 22.408 16.526 1.00 0.00 H ATOM 1245 N ASP A 95 12.103 20.048 13.706 1.00 13.97 N ATOM 1246 CA ASP A 95 11.025 19.132 13.345 1.00 13.72 C ATOM 1247 C ASP A 95 11.657 17.988 12.567 1.00 11.57 C ATOM 1248 O ASP A 95 12.236 18.215 11.512 1.00 16.03 O ATOM 1249 CB ASP A 95 9.937 19.805 12.515 1.00 16.35 C ATOM 1250 CG ASP A 95 8.714 18.965 12.218 1.00 17.80 C ATOM 1251 OD1 ASP A 95 8.263 18.232 13.139 1.00 18.38 O ATOM 1252 OD2 ASP A 95 8.178 19.028 11.082 1.00 16.64 O ATOM 1253 HA ASP A 95 10.532 18.778 14.250 1.00 0.00 H ATOM 1254 HB2 ASP A 95 9.609 20.694 13.053 1.00 0.00 H ATOM 1255 HB3 ASP A 95 10.378 20.100 11.563 1.00 0.00 H ATOM 1256 H ASP A 95 12.718 20.419 12.954 1.00 0.00 H ATOM 1257 N LEU A 96 11.489 16.799 13.140 1.00 13.52 N ATOM 1258 CA LEU A 96 11.957 15.576 12.499 1.00 13.33 C ATOM 1259 C LEU A 96 10.755 14.712 12.120 1.00 15.29 C ATOM 1260 O LEU A 96 10.161 14.106 13.010 1.00 17.45 O ATOM 1261 CB LEU A 96 12.901 14.822 13.411 1.00 14.87 C ATOM 1262 CG LEU A 96 14.261 15.431 13.709 1.00 19.13 C ATOM 1263 CD1 LEU A 96 15.041 14.442 14.580 1.00 24.68 C ATOM 1264 CD2 LEU A 96 15.006 15.786 12.453 1.00 20.01 C ATOM 1265 HA LEU A 96 12.508 15.832 11.594 1.00 0.00 H ATOM 1266 HB2 LEU A 96 12.391 14.690 14.365 1.00 0.00 H ATOM 1267 HB3 LEU A 96 13.077 13.847 12.957 1.00 0.00 H ATOM 1268 HG LEU A 96 14.133 16.371 14.246 1.00 0.00 H ATOM 1269 HD21 LEU A 96 15.158 14.887 11.856 1.00 0.00 H ATOM 1270 HD22 LEU A 96 14.426 16.510 11.880 1.00 0.00 H ATOM 1271 HD23 LEU A 96 15.972 16.218 12.715 1.00 0.00 H ATOM 1272 HD11 LEU A 96 14.495 14.267 15.507 1.00 0.00 H ATOM 1273 HD12 LEU A 96 15.159 13.501 14.043 1.00 0.00 H ATOM 1274 HD13 LEU A 96 16.023 14.857 14.808 1.00 0.00 H ATOM 1275 H LEU A 96 11.014 16.741 14.064 1.00 0.00 H ATOM 1276 N ASP A 97 10.457 14.680 10.824 1.00 13.71 N ATOM 1277 CA ASP A 97 9.263 14.023 10.313 1.00 14.60 C ATOM 1278 C ASP A 97 9.655 12.792 9.521 1.00 15.45 C ATOM 1279 O ASP A 97 10.522 12.837 8.647 1.00 13.50 O ATOM 1280 CB ASP A 97 8.404 14.961 9.453 1.00 12.78 C ATOM 1281 CG ASP A 97 7.636 15.953 10.292 1.00 15.60 C ATOM 1282 OD1 ASP A 97 7.740 15.854 11.537 1.00 17.08 O ATOM 1283 OD2 ASP A 97 6.962 16.818 9.696 1.00 19.71 O ATOM 1284 HA ASP A 97 8.655 13.731 11.169 1.00 0.00 H ATOM 1285 HB2 ASP A 97 9.055 15.507 8.770 1.00 0.00 H ATOM 1286 HB3 ASP A 97 7.696 14.363 8.879 1.00 0.00 H ATOM 1287 H ASP A 97 11.101 15.142 10.151 1.00 0.00 H ATOM 1288 N ILE A 98 9.014 11.673 9.862 1.00 14.52 N ATOM 1289 CA ILE A 98 9.305 10.455 9.112 1.00 14.79 C ATOM 1290 C ILE A 98 8.475 10.503 7.837 1.00 15.19 C ATOM 1291 O ILE A 98 7.252 10.426 7.852 1.00 17.24 O ATOM 1292 CB ILE A 98 9.045 9.191 9.934 1.00 16.84 C ATOM 1293 CG1 ILE A 98 9.912 9.079 11.191 1.00 18.47 C ATOM 1294 CG2 ILE A 98 9.216 7.969 9.052 1.00 16.30 C ATOM 1295 CD1 ILE A 98 9.563 7.951 12.161 1.00 21.27 C ATOM 1296 HA ILE A 98 10.366 10.409 8.865 1.00 0.00 H ATOM 1297 HB ILE A 98 8.018 9.255 10.294 1.00 0.00 H ATOM 1298 HG12 ILE A 98 10.944 8.933 10.870 1.00 0.00 H ATOM 1299 HG13 ILE A 98 9.831 10.020 11.734 1.00 0.00 H ATOM 1300 HD11 ILE A 98 8.540 8.081 12.514 1.00 0.00 H ATOM 1301 HD12 ILE A 98 9.653 6.993 11.649 1.00 0.00 H ATOM 1302 HD13 ILE A 98 10.248 7.978 13.009 1.00 0.00 H ATOM 1303 HG21 ILE A 98 8.507 8.017 8.225 1.00 0.00 H ATOM 1304 HG22 ILE A 98 10.233 7.945 8.660 1.00 0.00 H ATOM 1305 HG23 ILE A 98 9.030 7.070 9.639 1.00 0.00 H ATOM 1306 H ILE A 98 8.325 11.668 10.641 1.00 0.00 H ATOM 1307 N MET A 99 9.170 10.636 6.715 1.00 12.37 N ATOM 1308 CA MET A 99 8.461 10.684 5.443 1.00 14.22 C ATOM 1309 C MET A 99 8.073 9.298 4.959 1.00 15.84 C ATOM 1310 O MET A 99 6.914 9.043 4.622 1.00 18.12 O ATOM 1311 CB MET A 99 9.309 11.402 4.381 1.00 14.15 C ATOM 1312 CG MET A 99 9.429 12.904 4.632 1.00 14.66 C ATOM 1313 SD MET A 99 10.219 13.861 3.322 1.00 15.40 S ATOM 1314 CE MET A 99 11.929 13.328 3.411 1.00 15.87 C ATOM 1315 HA MET A 99 7.541 11.246 5.604 1.00 0.00 H ATOM 1316 HB2 MET A 99 10.309 10.968 4.382 1.00 0.00 H ATOM 1317 HB3 MET A 99 8.848 11.248 3.405 1.00 0.00 H ATOM 1318 HG2 MET A 99 10.008 13.045 5.545 1.00 0.00 H ATOM 1319 HG3 MET A 99 8.424 13.300 4.776 1.00 0.00 H ATOM 1320 HE1 MET A 99 12.329 13.558 4.399 1.00 0.00 H ATOM 1321 HE2 MET A 99 11.983 12.253 3.237 1.00 0.00 H ATOM 1322 HE3 MET A 99 12.511 13.850 2.651 1.00 0.00 H ATOM 1323 H MET A 99 10.207 10.705 6.743 1.00 0.00 H ATOM 1324 N LEU A 100 9.070 8.425 4.934 1.00 13.45 N ATOM 1325 CA LEU A 100 8.878 7.056 4.498 1.00 12.93 C ATOM 1326 C LEU A 100 9.685 6.133 5.421 1.00 12.71 C ATOM 1327 O LEU A 100 10.728 6.581 5.903 1.00 13.24 O ATOM 1328 CB LEU A 100 9.264 6.823 3.037 1.00 16.41 C ATOM 1329 CG LEU A 100 8.387 7.587 2.028 1.00 23.98 C ATOM 1330 CD1 LEU A 100 9.182 8.591 1.231 1.00 30.39 C ATOM 1331 CD2 LEU A 100 7.706 6.607 1.091 1.00 38.16 C ATOM 1332 HA LEU A 100 7.813 6.833 4.560 1.00 0.00 H ATOM 1333 HB2 LEU A 100 10.298 7.139 2.901 1.00 0.00 H ATOM 1334 HB3 LEU A 100 9.180 5.757 2.826 1.00 0.00 H ATOM 1335 HG LEU A 100 7.637 8.138 2.596 1.00 0.00 H ATOM 1336 HD21 LEU A 100 8.462 6.037 0.552 1.00 0.00 H ATOM 1337 HD22 LEU A 100 7.081 5.927 1.670 1.00 0.00 H ATOM 1338 HD23 LEU A 100 7.088 7.156 0.380 1.00 0.00 H ATOM 1339 HD11 LEU A 100 9.632 9.317 1.909 1.00 0.00 H ATOM 1340 HD12 LEU A 100 9.966 8.075 0.677 1.00 0.00 H ATOM 1341 HD13 LEU A 100 8.521 9.105 0.533 1.00 0.00 H ATOM 1342 H LEU A 100 10.017 8.731 5.236 1.00 0.00 H ATOM 1343 N PHE A 101 9.177 4.936 5.641 1.00 14.09 N ATOM 1344 CA PHE A 101 9.866 3.874 6.379 1.00 14.31 C ATOM 1345 C PHE A 101 9.853 2.625 5.517 1.00 13.84 C ATOM 1346 O PHE A 101 8.898 1.853 5.515 1.00 17.40 O ATOM 1347 CB PHE A 101 9.194 3.678 7.744 1.00 20.07 C ATOM 1348 CG PHE A 101 10.009 2.798 8.660 1.00 23.26 C ATOM 1349 CD1 PHE A 101 9.851 1.420 8.585 1.00 26.16 C ATOM 1350 CD2 PHE A 101 10.900 3.321 9.581 1.00 21.46 C ATOM 1351 CE1 PHE A 101 10.580 0.588 9.406 1.00 31.47 C ATOM 1352 CE2 PHE A 101 11.638 2.483 10.400 1.00 22.78 C ATOM 1353 CZ PHE A 101 11.471 1.123 10.315 1.00 28.65 C ATOM 1354 HA PHE A 101 10.905 4.130 6.585 1.00 0.00 H ATOM 1355 HB2 PHE A 101 9.066 4.652 8.215 1.00 0.00 H ATOM 1356 HB3 PHE A 101 8.218 3.218 7.592 1.00 0.00 H ATOM 1357 HD2 PHE A 101 11.022 4.401 9.662 1.00 0.00 H ATOM 1358 HE2 PHE A 101 12.350 2.902 11.111 1.00 0.00 H ATOM 1359 HZ PHE A 101 12.044 0.463 10.967 1.00 0.00 H ATOM 1360 HE1 PHE A 101 10.453 -0.492 9.338 1.00 0.00 H ATOM 1361 HD1 PHE A 101 9.145 0.994 7.872 1.00 0.00 H ATOM 1362 H PHE A 101 8.228 4.733 5.267 1.00 0.00 H ATOM 1363 N GLY A 102 10.930 2.490 4.727 1.00 16.66 N ATOM 1364 CA GLY A 102 10.941 1.501 3.647 1.00 17.38 C ATOM 1365 C GLY A 102 9.678 1.683 2.810 1.00 18.49 C ATOM 1366 O GLY A 102 9.298 2.811 2.490 1.00 18.74 O ATOM 1367 HA3 GLY A 102 10.961 0.496 4.069 1.00 0.00 H ATOM 1368 HA2 GLY A 102 11.821 1.649 3.022 1.00 0.00 H ATOM 1369 H GLY A 102 11.763 3.093 4.883 1.00 0.00 H ATOM 1370 N ASN A 103 9.049 0.563 2.486 1.00 18.30 N ATOM 1371 CA ASN A 103 7.743 0.520 1.888 1.00 18.02 C ATOM 1372 C ASN A 103 6.616 0.347 2.891 1.00 19.91 C ATOM 1373 O ASN A 103 5.484 -0.035 2.537 1.00 25.39 O ATOM 1374 CB ASN A 103 7.642 -0.643 0.875 1.00 20.04 C ATOM 1375 CG ASN A 103 6.561 -0.294 -0.142 1.00 28.13 C ATOM 1376 OD1 ASN A 103 6.541 0.845 -0.630 1.00 32.32 O ATOM 1377 ND2 ASN A 103 5.672 -1.221 -0.468 1.00 27.36 N ATOM 1378 HA ASN A 103 7.626 1.488 1.401 1.00 0.00 H ATOM 1379 HB2 ASN A 103 8.598 -0.775 0.368 1.00 0.00 H ATOM 1380 HB3 ASN A 103 7.377 -1.564 1.395 1.00 0.00 H ATOM 1381 HD22 ASN A 103 5.723 -2.165 -0.036 1.00 0.00 H ATOM 1382 HD21 ASN A 103 4.923 -1.004 -1.156 1.00 0.00 H ATOM 1383 H ASN A 103 9.529 -0.340 2.676 1.00 0.00 H ATOM 1384 N GLU A 104 6.870 0.622 4.164 1.00 20.08 N ATOM 1385 CA GLU A 104 5.734 0.450 5.083 1.00 18.86 C ATOM 1386 C GLU A 104 4.659 1.501 4.962 1.00 17.01 C ATOM 1387 O GLU A 104 4.916 2.691 4.796 1.00 18.63 O ATOM 1388 CB GLU A 104 6.285 0.463 6.512 1.00 23.15 C ATOM 1389 CG GLU A 104 7.246 -0.706 6.734 1.00 25.89 C ATOM 1390 CD GLU A 104 6.690 -1.520 7.891 1.00 29.57 C ATOM 1391 OE1 GLU A 104 5.493 -1.820 7.780 1.00 31.28 O ATOM 1392 OE2 GLU A 104 7.439 -1.788 8.841 1.00 40.37 O ATOM 1393 HA GLU A 104 5.253 -0.493 4.821 1.00 0.00 H ATOM 1394 HB2 GLU A 104 6.816 1.400 6.682 1.00 0.00 H ATOM 1395 HB3 GLU A 104 5.456 0.383 7.216 1.00 0.00 H ATOM 1396 HG2 GLU A 104 7.303 -1.321 5.836 1.00 0.00 H ATOM 1397 HG3 GLU A 104 8.240 -0.333 6.981 1.00 0.00 H ATOM 1398 H GLU A 104 7.806 0.937 4.489 1.00 0.00 H ATOM 1399 N VAL A 105 3.429 1.004 5.081 1.00 21.58 N ATOM 1400 CA VAL A 105 2.270 1.851 5.311 1.00 20.19 C ATOM 1401 C VAL A 105 1.823 1.725 6.763 1.00 20.30 C ATOM 1402 O VAL A 105 1.552 0.647 7.295 1.00 19.23 O ATOM 1403 CB VAL A 105 1.108 1.481 4.386 1.00 22.67 C ATOM 1404 CG1 VAL A 105 -0.121 2.295 4.752 1.00 22.56 C ATOM 1405 CG2 VAL A 105 1.519 1.681 2.940 1.00 24.76 C ATOM 1406 HA VAL A 105 2.559 2.880 5.096 1.00 0.00 H ATOM 1407 HB VAL A 105 0.852 0.429 4.511 1.00 0.00 H ATOM 1408 HG11 VAL A 105 -0.400 2.084 5.784 1.00 0.00 H ATOM 1409 HG12 VAL A 105 0.102 3.356 4.644 1.00 0.00 H ATOM 1410 HG13 VAL A 105 -0.944 2.026 4.089 1.00 0.00 H ATOM 1411 HG21 VAL A 105 1.788 2.725 2.781 1.00 0.00 H ATOM 1412 HG22 VAL A 105 2.376 1.045 2.716 1.00 0.00 H ATOM 1413 HG23 VAL A 105 0.687 1.416 2.287 1.00 0.00 H ATOM 1414 H VAL A 105 3.293 -0.024 5.007 1.00 0.00 H ATOM 1415 N ILE A 106 1.783 2.869 7.422 1.00 20.07 N ATOM 1416 CA ILE A 106 1.451 2.907 8.847 1.00 22.97 C ATOM 1417 C ILE A 106 0.386 3.965 9.066 1.00 23.06 C ATOM 1418 O ILE A 106 0.523 5.114 8.634 1.00 29.93 O ATOM 1419 CB ILE A 106 2.711 3.186 9.685 1.00 20.17 C ATOM 1420 CG1 ILE A 106 3.846 2.231 9.390 1.00 17.58 C ATOM 1421 CG2 ILE A 106 2.381 3.164 11.172 1.00 20.67 C ATOM 1422 CD1 ILE A 106 5.223 2.760 9.723 1.00 14.18 C ATOM 1423 HA ILE A 106 1.062 1.941 9.169 1.00 0.00 H ATOM 1424 HB ILE A 106 3.054 4.181 9.401 1.00 0.00 H ATOM 1425 HG12 ILE A 106 3.683 1.321 9.968 1.00 0.00 H ATOM 1426 HG13 ILE A 106 3.822 1.993 8.326 1.00 0.00 H ATOM 1427 HD11 ILE A 106 5.413 3.664 9.144 1.00 0.00 H ATOM 1428 HD12 ILE A 106 5.275 2.991 10.787 1.00 0.00 H ATOM 1429 HD13 ILE A 106 5.970 2.005 9.477 1.00 0.00 H ATOM 1430 HG21 ILE A 106 1.635 3.929 11.389 1.00 0.00 H ATOM 1431 HG22 ILE A 106 1.987 2.184 11.441 1.00 0.00 H ATOM 1432 HG23 ILE A 106 3.286 3.363 11.747 1.00 0.00 H ATOM 1433 H ILE A 106 1.991 3.756 6.921 1.00 0.00 H ATOM 1434 N ASN A 107 -0.707 3.588 9.714 1.00 22.86 N ATOM 1435 CA ASN A 107 -1.753 4.524 10.098 1.00 18.66 C ATOM 1436 C ASN A 107 -2.175 4.184 11.515 1.00 20.58 C ATOM 1437 O ASN A 107 -3.189 3.511 11.678 1.00 25.99 O ATOM 1438 CB ASN A 107 -2.948 4.417 9.161 1.00 22.75 C ATOM 1439 CG ASN A 107 -2.626 4.911 7.772 1.00 23.99 C ATOM 1440 OD1 ASN A 107 -2.879 6.066 7.431 1.00 35.33 O ATOM 1441 ND2 ASN A 107 -2.060 4.031 6.955 1.00 33.38 N ATOM 1442 HA ASN A 107 -1.378 5.546 10.038 1.00 0.00 H ATOM 1443 HB2 ASN A 107 -3.255 3.373 9.101 1.00 0.00 H ATOM 1444 HB3 ASN A 107 -3.766 5.013 9.565 1.00 0.00 H ATOM 1445 HD22 ASN A 107 -1.864 3.065 7.286 1.00 0.00 H ATOM 1446 HD21 ASN A 107 -1.812 4.308 5.984 1.00 0.00 H ATOM 1447 H ASN A 107 -0.822 2.583 9.958 1.00 0.00 H ATOM 1448 N THR A 108 -1.366 4.651 12.465 1.00 22.87 N ATOM 1449 CA THR A 108 -1.652 4.388 13.875 1.00 20.52 C ATOM 1450 C THR A 108 -1.925 5.724 14.569 1.00 18.99 C ATOM 1451 O THR A 108 -1.774 6.763 13.918 1.00 22.34 O ATOM 1452 CB THR A 108 -0.540 3.616 14.605 1.00 20.34 C ATOM 1453 OG1 THR A 108 0.698 4.324 14.516 1.00 22.86 O ATOM 1454 CG2 THR A 108 -0.187 2.276 13.962 1.00 24.13 C ATOM 1455 HA THR A 108 -2.526 3.738 13.917 1.00 0.00 H ATOM 1456 HB THR A 108 -0.934 3.489 15.613 1.00 0.00 H ATOM 1457 HG1 THR A 108 1.403 3.815 14.990 1.00 0.00 H ATOM 1458 HG23 THR A 108 -1.065 1.630 13.967 1.00 0.00 H ATOM 1459 HG21 THR A 108 0.138 2.442 12.935 1.00 0.00 H ATOM 1460 HG22 THR A 108 0.617 1.804 14.527 1.00 0.00 H ATOM 1461 H THR A 108 -0.526 5.206 12.202 1.00 0.00 H ATOM 1462 N GLU A 109 -2.313 5.648 15.832 1.00 21.23 N ATOM 1463 CA GLU A 109 -2.586 6.861 16.604 1.00 25.09 C ATOM 1464 C GLU A 109 -1.338 7.747 16.543 1.00 24.16 C ATOM 1465 O GLU A 109 -1.314 8.978 16.398 1.00 31.59 O ATOM 1466 CB GLU A 109 -2.918 6.597 18.062 1.00 23.02 C ATOM 1467 CG GLU A 109 -4.101 5.736 18.412 1.00 25.00 C ATOM 1468 CD GLU A 109 -3.868 4.246 18.416 1.00 27.40 C ATOM 1469 OE1 GLU A 109 -2.948 3.793 17.704 1.00 32.47 O ATOM 1470 OE2 GLU A 109 -4.628 3.561 19.137 1.00 25.73 O ATOM 1471 HA GLU A 109 -3.463 7.336 16.164 1.00 0.00 H ATOM 1472 HB2 GLU A 109 -2.041 6.126 18.506 1.00 0.00 H ATOM 1473 HB3 GLU A 109 -3.083 7.568 18.530 1.00 0.00 H ATOM 1474 HG2 GLU A 109 -4.436 6.022 19.409 1.00 0.00 H ATOM 1475 HG3 GLU A 109 -4.890 5.947 17.690 1.00 0.00 H ATOM 1476 H GLU A 109 -2.425 4.716 16.281 1.00 0.00 H ATOM 1477 N ARG A 110 -0.158 7.111 16.636 1.00 23.21 N ATOM 1478 CA ARG A 110 1.041 7.950 16.683 1.00 28.43 C ATOM 1479 C ARG A 110 1.717 8.279 15.368 1.00 28.01 C ATOM 1480 O ARG A 110 2.526 9.213 15.304 1.00 33.03 O ATOM 1481 CB ARG A 110 2.099 7.222 17.517 1.00 30.30 C ATOM 1482 CG ARG A 110 1.851 7.046 19.000 1.00 39.17 C ATOM 1483 CD ARG A 110 3.099 6.435 19.646 1.00 35.02 C ATOM 1484 NE ARG A 110 4.189 7.414 19.592 1.00 35.40 N ATOM 1485 CZ ARG A 110 5.463 7.114 19.826 1.00 33.55 C ATOM 1486 NH1 ARG A 110 5.806 5.871 20.124 1.00 40.67 N ATOM 1487 NH2 ARG A 110 6.419 8.023 19.767 1.00 42.75 N ATOM 1488 HA ARG A 110 0.679 8.895 17.087 1.00 0.00 H ATOM 1489 HB2 ARG A 110 2.218 6.226 17.089 1.00 0.00 H ATOM 1490 HB3 ARG A 110 3.032 7.776 17.409 1.00 0.00 H ATOM 1491 HG2 ARG A 110 1.642 8.015 19.453 1.00 0.00 H ATOM 1492 HG3 ARG A 110 0.999 6.384 19.152 1.00 0.00 H ATOM 1493 HD2 ARG A 110 3.388 5.535 19.104 1.00 0.00 H ATOM 1494 HD3 ARG A 110 2.887 6.180 20.684 1.00 0.00 H ATOM 1495 HE ARG A 110 3.952 8.399 19.357 1.00 0.00 H ATOM 1496 HH12 ARG A 110 6.802 5.636 20.307 1.00 0.00 H ATOM 1497 HH11 ARG A 110 5.079 5.129 20.175 1.00 0.00 H ATOM 1498 HH22 ARG A 110 7.405 7.753 19.956 1.00 0.00 H ATOM 1499 HH21 ARG A 110 6.185 9.009 19.532 1.00 0.00 H ATOM 1500 H ARG A 110 -0.099 6.073 16.673 1.00 0.00 H ATOM 1501 N LEU A 111 1.483 7.548 14.296 1.00 28.80 N ATOM 1502 CA LEU A 111 2.307 7.523 13.089 1.00 28.87 C ATOM 1503 C LEU A 111 1.462 7.260 11.857 1.00 29.49 C ATOM 1504 O LEU A 111 0.733 6.266 11.815 1.00 31.50 O ATOM 1505 CB LEU A 111 3.326 6.406 13.238 1.00 28.97 C ATOM 1506 CG LEU A 111 4.673 6.442 12.559 1.00 27.82 C ATOM 1507 CD1 LEU A 111 5.349 7.789 12.696 1.00 20.56 C ATOM 1508 CD2 LEU A 111 5.535 5.305 13.116 1.00 25.46 C ATOM 1509 HA LEU A 111 2.795 8.490 12.968 1.00 0.00 H ATOM 1510 HB2 LEU A 111 3.527 6.320 14.306 1.00 0.00 H ATOM 1511 HB3 LEU A 111 2.834 5.498 12.888 1.00 0.00 H ATOM 1512 HG LEU A 111 4.535 6.295 11.488 1.00 0.00 H ATOM 1513 HD21 LEU A 111 5.658 5.437 14.191 1.00 0.00 H ATOM 1514 HD22 LEU A 111 5.046 4.351 12.920 1.00 0.00 H ATOM 1515 HD23 LEU A 111 6.512 5.321 12.632 1.00 0.00 H ATOM 1516 HD11 LEU A 111 4.721 8.557 12.244 1.00 0.00 H ATOM 1517 HD12 LEU A 111 5.496 8.014 13.752 1.00 0.00 H ATOM 1518 HD13 LEU A 111 6.314 7.763 12.191 1.00 0.00 H ATOM 1519 H LEU A 111 0.641 6.938 14.310 1.00 0.00 H ATOM 1520 N THR A 112 1.574 8.132 10.887 1.00 26.87 N ATOM 1521 CA THR A 112 1.007 8.110 9.568 1.00 26.26 C ATOM 1522 C THR A 112 2.202 8.176 8.611 1.00 23.43 C ATOM 1523 O THR A 112 2.832 9.227 8.530 1.00 21.09 O ATOM 1524 CB THR A 112 0.064 9.267 9.240 1.00 28.69 C ATOM 1525 OG1 THR A 112 -1.095 9.221 10.100 1.00 37.09 O ATOM 1526 CG2 THR A 112 -0.419 9.122 7.801 1.00 31.21 C ATOM 1527 HA THR A 112 0.394 7.213 9.481 1.00 0.00 H ATOM 1528 HB THR A 112 0.598 10.207 9.382 1.00 0.00 H ATOM 1529 HG1 THR A 112 -0.807 9.293 11.044 1.00 0.00 H ATOM 1530 HG23 THR A 112 0.437 9.153 7.127 1.00 0.00 H ATOM 1531 HG21 THR A 112 -0.938 8.170 7.687 1.00 0.00 H ATOM 1532 HG22 THR A 112 -1.100 9.939 7.564 1.00 0.00 H ATOM 1533 H THR A 112 2.160 8.963 11.104 1.00 0.00 H ATOM 1534 N VAL A 113 2.428 7.007 8.010 1.00 21.16 N ATOM 1535 CA VAL A 113 3.575 6.878 7.126 1.00 21.54 C ATOM 1536 C VAL A 113 3.067 6.304 5.804 1.00 19.20 C ATOM 1537 O VAL A 113 2.361 5.286 5.916 1.00 22.08 O ATOM 1538 CB VAL A 113 4.718 6.031 7.703 1.00 23.07 C ATOM 1539 CG1 VAL A 113 5.737 5.790 6.600 1.00 21.25 C ATOM 1540 CG2 VAL A 113 5.321 6.717 8.914 1.00 24.36 C ATOM 1541 HA VAL A 113 4.018 7.864 6.986 1.00 0.00 H ATOM 1542 HB VAL A 113 4.349 5.065 8.049 1.00 0.00 H ATOM 1543 HG11 VAL A 113 5.259 5.262 5.775 1.00 0.00 H ATOM 1544 HG12 VAL A 113 6.121 6.747 6.247 1.00 0.00 H ATOM 1545 HG13 VAL A 113 6.558 5.189 6.991 1.00 0.00 H ATOM 1546 HG21 VAL A 113 5.712 7.691 8.621 1.00 0.00 H ATOM 1547 HG22 VAL A 113 4.553 6.847 9.677 1.00 0.00 H ATOM 1548 HG23 VAL A 113 6.130 6.104 9.312 1.00 0.00 H ATOM 1549 H VAL A 113 1.793 6.199 8.171 1.00 0.00 H ATOM 1550 N PRO A 114 3.318 6.829 4.613 1.00 21.77 N ATOM 1551 CA PRO A 114 3.993 8.076 4.309 1.00 23.09 C ATOM 1552 C PRO A 114 3.360 9.311 4.970 1.00 21.50 C ATOM 1553 O PRO A 114 2.154 9.332 5.243 1.00 24.57 O ATOM 1554 CB PRO A 114 3.853 8.213 2.789 1.00 25.03 C ATOM 1555 CG PRO A 114 3.677 6.805 2.298 1.00 23.03 C ATOM 1556 CD PRO A 114 2.910 6.112 3.375 1.00 22.27 C ATOM 1557 HA PRO A 114 5.017 8.041 4.681 1.00 0.00 H ATOM 1558 HD3 PRO A 114 1.837 6.202 3.208 1.00 0.00 H ATOM 1559 HD2 PRO A 114 3.180 5.057 3.429 1.00 0.00 H ATOM 1560 HG3 PRO A 114 4.645 6.327 2.149 1.00 0.00 H ATOM 1561 HG2 PRO A 114 3.119 6.793 1.362 1.00 0.00 H ATOM 1562 HB2 PRO A 114 2.985 8.821 2.535 1.00 0.00 H ATOM 1563 HB3 PRO A 114 4.748 8.662 2.358 1.00 0.00 H ATOM 1564 N HIS A 115 4.228 10.256 5.306 1.00 18.63 N ATOM 1565 CA HIS A 115 3.783 11.517 5.945 1.00 21.82 C ATOM 1566 C HIS A 115 2.554 12.087 5.265 1.00 21.41 C ATOM 1567 O HIS A 115 2.453 12.152 4.040 1.00 22.69 O ATOM 1568 CB HIS A 115 4.987 12.462 5.962 1.00 23.18 C ATOM 1569 CG HIS A 115 4.702 13.760 6.674 1.00 22.10 C ATOM 1570 ND1 HIS A 115 4.068 14.779 6.024 1.00 23.41 N ATOM 1571 CD2 HIS A 115 4.946 14.232 7.919 1.00 19.83 C ATOM 1572 CE1 HIS A 115 3.917 15.816 6.830 1.00 20.53 C ATOM 1573 NE2 HIS A 115 4.453 15.512 8.002 1.00 17.69 N ATOM 1574 HA HIS A 115 3.457 11.349 6.971 1.00 0.00 H ATOM 1575 HB2 HIS A 115 5.815 11.963 6.466 1.00 0.00 H ATOM 1576 HB3 HIS A 115 5.270 12.684 4.933 1.00 0.00 H ATOM 1577 HD2 HIS A 115 5.448 13.689 8.720 1.00 0.00 H ATOM 1578 HE1 HIS A 115 3.434 16.759 6.574 1.00 0.00 H ATOM 1579 H HIS A 115 5.240 10.109 5.117 1.00 0.00 H ATOM 1580 N TYR A 116 1.529 12.468 6.034 1.00 24.49 N ATOM 1581 CA TYR A 116 0.210 12.731 5.493 1.00 26.69 C ATOM 1582 C TYR A 116 0.162 13.900 4.524 1.00 23.37 C ATOM 1583 O TYR A 116 -0.753 13.974 3.714 1.00 35.42 O ATOM 1584 CB TYR A 116 -0.774 13.020 6.647 1.00 28.87 C ATOM 1585 CG TYR A 116 -0.661 14.458 7.108 1.00 28.32 C ATOM 1586 CD1 TYR A 116 0.447 14.884 7.831 1.00 27.71 C ATOM 1587 CD2 TYR A 116 -1.650 15.391 6.834 1.00 29.48 C ATOM 1588 CE1 TYR A 116 0.575 16.186 8.261 1.00 29.35 C ATOM 1589 CE2 TYR A 116 -1.508 16.697 7.267 1.00 31.56 C ATOM 1590 CZ TYR A 116 -0.410 17.102 7.977 1.00 29.03 C ATOM 1591 OH TYR A 116 -0.301 18.410 8.401 1.00 33.15 O ATOM 1592 HA TYR A 116 -0.068 11.836 4.936 1.00 0.00 H ATOM 1593 HB3 TYR A 116 -0.548 12.358 7.483 1.00 0.00 H ATOM 1594 HB2 TYR A 116 -1.792 12.834 6.303 1.00 0.00 H ATOM 1595 HD2 TYR A 116 -2.539 15.095 6.277 1.00 0.00 H ATOM 1596 HE2 TYR A 116 -2.289 17.421 7.037 1.00 0.00 H ATOM 1597 HE1 TYR A 116 1.456 16.490 8.826 1.00 0.00 H ATOM 1598 HD1 TYR A 116 1.236 14.168 8.064 1.00 0.00 H ATOM 1599 HH TYR A 116 0.549 18.526 8.895 1.00 0.00 H ATOM 1600 H TYR A 116 1.683 12.580 7.056 1.00 0.00 H ATOM 1601 N ASP A 117 1.102 14.825 4.612 1.00 23.69 N ATOM 1602 CA ASP A 117 1.121 15.986 3.728 1.00 23.90 C ATOM 1603 C ASP A 117 2.351 16.130 2.836 1.00 24.85 C ATOM 1604 O ASP A 117 2.411 17.149 2.131 1.00 21.61 O ATOM 1605 CB ASP A 117 1.009 17.281 4.558 1.00 24.33 C ATOM 1606 CG ASP A 117 0.376 18.388 3.731 1.00 26.52 C ATOM 1607 OD1 ASP A 117 -0.544 18.108 2.929 1.00 27.92 O ATOM 1608 OD2 ASP A 117 0.784 19.564 3.861 1.00 27.83 O ATOM 1609 HA ASP A 117 0.270 15.822 3.067 1.00 0.00 H ATOM 1610 HB2 ASP A 117 0.393 17.092 5.437 1.00 0.00 H ATOM 1611 HB3 ASP A 117 2.005 17.593 4.874 1.00 0.00 H ATOM 1612 H ASP A 117 1.848 14.723 5.330 1.00 0.00 H ATOM 1613 N MET A 118 3.322 15.221 2.813 1.00 22.37 N ATOM 1614 CA MET A 118 4.576 15.477 2.094 1.00 23.09 C ATOM 1615 C MET A 118 4.350 15.682 0.605 1.00 21.46 C ATOM 1616 O MET A 118 5.113 16.375 -0.067 1.00 25.42 O ATOM 1617 CB MET A 118 5.584 14.337 2.311 1.00 22.16 C ATOM 1618 CG MET A 118 5.119 12.976 1.843 1.00 26.11 C ATOM 1619 SD MET A 118 6.268 11.631 2.220 1.00 20.24 S ATOM 1620 CE MET A 118 7.624 12.061 1.141 1.00 21.64 C ATOM 1621 HA MET A 118 4.986 16.399 2.506 1.00 0.00 H ATOM 1622 HB2 MET A 118 6.498 14.586 1.772 1.00 0.00 H ATOM 1623 HB3 MET A 118 5.798 14.273 3.378 1.00 0.00 H ATOM 1624 HG2 MET A 118 4.980 13.015 0.763 1.00 0.00 H ATOM 1625 HG3 MET A 118 4.165 12.756 2.323 1.00 0.00 H ATOM 1626 HE1 MET A 118 7.276 12.068 0.108 1.00 0.00 H ATOM 1627 HE2 MET A 118 7.999 13.049 1.407 1.00 0.00 H ATOM 1628 HE3 MET A 118 8.422 11.327 1.252 1.00 0.00 H ATOM 1629 H MET A 118 3.191 14.317 3.311 1.00 0.00 H ATOM 1630 N LYS A 119 3.292 15.100 0.051 1.00 24.21 N ATOM 1631 CA LYS A 119 3.093 15.187 -1.398 1.00 27.38 C ATOM 1632 C LYS A 119 2.686 16.596 -1.791 1.00 26.75 C ATOM 1633 O LYS A 119 2.645 16.925 -2.984 1.00 30.65 O ATOM 1634 CB LYS A 119 2.075 14.133 -1.870 1.00 28.88 C ATOM 1635 CG LYS A 119 2.579 12.701 -1.794 1.00 32.25 C ATOM 1636 CD LYS A 119 1.517 11.632 -2.105 1.00 36.30 C ATOM 1637 CE LYS A 119 1.976 10.295 -1.531 1.00 36.03 C ATOM 1638 NZ LYS A 119 1.001 9.176 -1.685 1.00 32.67 N ATOM 1639 HA LYS A 119 4.035 14.969 -1.901 1.00 0.00 H ATOM 1640 HB2 LYS A 119 1.184 14.215 -1.248 1.00 0.00 H ATOM 1641 HB3 LYS A 119 1.814 14.349 -2.906 1.00 0.00 H ATOM 1642 HG2 LYS A 119 3.395 12.589 -2.508 1.00 0.00 H ATOM 1643 HG3 LYS A 119 2.954 12.525 -0.786 1.00 0.00 H ATOM 1644 HD2 LYS A 119 0.567 11.918 -1.653 1.00 0.00 H ATOM 1645 HD3 LYS A 119 1.392 11.543 -3.184 1.00 0.00 H ATOM 1646 HE2 LYS A 119 2.169 10.432 -0.467 1.00 0.00 H ATOM 1647 HE3 LYS A 119 2.900 10.010 -2.033 1.00 0.00 H ATOM 1648 HZ1 LYS A 119 0.114 9.421 -1.200 1.00 0.00 H ATOM 1649 HZ2 LYS A 119 0.813 9.019 -2.696 1.00 0.00 H ATOM 1650 HZ3 LYS A 119 1.399 8.311 -1.267 1.00 0.00 H ATOM 1651 H LYS A 119 2.609 14.585 0.643 1.00 0.00 H ATOM 1652 N ASN A 120 2.390 17.438 -0.814 1.00 27.42 N ATOM 1653 CA ASN A 120 2.034 18.826 -1.066 1.00 25.82 C ATOM 1654 C ASN A 120 3.159 19.818 -0.813 1.00 26.73 C ATOM 1655 O ASN A 120 2.968 21.030 -0.903 1.00 29.45 O ATOM 1656 CB ASN A 120 0.848 19.233 -0.176 1.00 29.10 C ATOM 1657 CG ASN A 120 -0.418 18.652 -0.787 1.00 30.95 C ATOM 1658 OD1 ASN A 120 -0.662 18.825 -1.983 1.00 32.32 O ATOM 1659 ND2 ASN A 120 -1.182 17.979 0.064 1.00 30.37 N ATOM 1660 HA ASN A 120 1.788 18.869 -2.127 1.00 0.00 H ATOM 1661 HB2 ASN A 120 0.988 18.839 0.831 1.00 0.00 H ATOM 1662 HB3 ASN A 120 0.773 20.320 -0.132 1.00 0.00 H ATOM 1663 HD22 ASN A 120 -0.894 17.885 1.059 1.00 0.00 H ATOM 1664 HD21 ASN A 120 -2.069 17.546 -0.264 1.00 0.00 H ATOM 1665 H ASN A 120 2.413 17.096 0.168 1.00 0.00 H ATOM 1666 N ARG A 121 4.328 19.283 -0.461 1.00 24.68 N ATOM 1667 CA ARG A 121 5.370 20.189 -0.013 1.00 23.37 C ATOM 1668 C ARG A 121 6.674 20.050 -0.784 1.00 22.24 C ATOM 1669 O ARG A 121 7.387 19.060 -0.682 1.00 21.32 O ATOM 1670 CB ARG A 121 5.666 19.941 1.461 1.00 23.84 C ATOM 1671 CG ARG A 121 4.467 20.051 2.366 1.00 21.90 C ATOM 1672 CD ARG A 121 4.758 19.456 3.739 1.00 22.85 C ATOM 1673 NE ARG A 121 3.635 19.757 4.616 1.00 23.15 N ATOM 1674 CZ ARG A 121 3.633 19.651 5.935 1.00 23.84 C ATOM 1675 NH1 ARG A 121 4.706 19.241 6.598 1.00 26.39 N ATOM 1676 NH2 ARG A 121 2.553 19.952 6.626 1.00 27.05 N ATOM 1677 HA ARG A 121 4.988 21.195 -0.187 1.00 0.00 H ATOM 1678 HB2 ARG A 121 6.078 18.937 1.562 1.00 0.00 H ATOM 1679 HB3 ARG A 121 6.407 20.671 1.787 1.00 0.00 H ATOM 1680 HG2 ARG A 121 4.204 21.102 2.482 1.00 0.00 H ATOM 1681 HG3 ARG A 121 3.631 19.516 1.916 1.00 0.00 H ATOM 1682 HD2 ARG A 121 5.670 19.893 4.145 1.00 0.00 H ATOM 1683 HD3 ARG A 121 4.881 18.376 3.654 1.00 0.00 H ATOM 1684 HE ARG A 121 2.757 20.084 4.166 1.00 0.00 H ATOM 1685 HH12 ARG A 121 4.679 19.166 7.635 1.00 0.00 H ATOM 1686 HH11 ARG A 121 5.574 18.995 6.081 1.00 0.00 H ATOM 1687 HH22 ARG A 121 2.558 19.866 7.662 1.00 0.00 H ATOM 1688 HH21 ARG A 121 1.695 20.275 6.135 1.00 0.00 H ATOM 1689 H ARG A 121 4.487 18.256 -0.506 1.00 0.00 H ATOM 1690 N GLY A 122 6.993 21.087 -1.533 1.00 25.63 N ATOM 1691 CA GLY A 122 8.220 21.091 -2.305 1.00 24.13 C ATOM 1692 C GLY A 122 9.407 20.926 -1.378 1.00 22.08 C ATOM 1693 O GLY A 122 10.396 20.317 -1.781 1.00 24.07 O ATOM 1694 HA3 GLY A 122 8.308 22.036 -2.842 1.00 0.00 H ATOM 1695 HA2 GLY A 122 8.201 20.269 -3.020 1.00 0.00 H ATOM 1696 H GLY A 122 6.358 21.910 -1.570 1.00 0.00 H ATOM 1697 N PHE A 123 9.277 21.464 -0.164 1.00 23.22 N ATOM 1698 CA PHE A 123 10.406 21.462 0.757 1.00 18.88 C ATOM 1699 C PHE A 123 10.697 20.068 1.345 1.00 14.82 C ATOM 1700 O PHE A 123 11.763 19.902 1.956 1.00 20.12 O ATOM 1701 CB PHE A 123 10.215 22.483 1.872 1.00 20.22 C ATOM 1702 CG PHE A 123 8.995 22.344 2.747 1.00 23.08 C ATOM 1703 CD1 PHE A 123 8.828 21.354 3.700 1.00 27.04 C ATOM 1704 CD2 PHE A 123 7.964 23.252 2.569 1.00 25.53 C ATOM 1705 CE1 PHE A 123 7.687 21.221 4.464 1.00 24.84 C ATOM 1706 CE2 PHE A 123 6.845 23.168 3.370 1.00 27.02 C ATOM 1707 CZ PHE A 123 6.712 22.174 4.316 1.00 27.88 C ATOM 1708 HA PHE A 123 11.277 21.748 0.168 1.00 0.00 H ATOM 1709 HB2 PHE A 123 11.089 22.425 2.520 1.00 0.00 H ATOM 1710 HB3 PHE A 123 10.173 23.468 1.408 1.00 0.00 H ATOM 1711 HD2 PHE A 123 8.037 24.025 1.804 1.00 0.00 H ATOM 1712 HE2 PHE A 123 6.049 23.903 3.253 1.00 0.00 H ATOM 1713 HZ PHE A 123 5.826 22.145 4.950 1.00 0.00 H ATOM 1714 HE1 PHE A 123 7.565 20.390 5.159 1.00 0.00 H ATOM 1715 HD1 PHE A 123 9.640 20.643 3.855 1.00 0.00 H ATOM 1716 H PHE A 123 8.371 21.884 0.125 1.00 0.00 H ATOM 1717 N MET A 124 9.727 19.167 1.141 1.00 17.37 N ATOM 1718 CA MET A 124 9.955 17.772 1.500 1.00 16.56 C ATOM 1719 C MET A 124 10.349 16.978 0.256 1.00 17.60 C ATOM 1720 O MET A 124 11.266 16.177 0.270 1.00 21.77 O ATOM 1721 CB MET A 124 8.776 17.102 2.187 1.00 16.01 C ATOM 1722 CG MET A 124 8.528 17.647 3.590 1.00 17.05 C ATOM 1723 SD MET A 124 7.151 16.849 4.411 1.00 23.73 S ATOM 1724 CE MET A 124 7.751 16.457 6.013 1.00 21.04 C ATOM 1725 HA MET A 124 10.764 17.777 2.231 1.00 0.00 H ATOM 1726 HB2 MET A 124 7.882 17.266 1.585 1.00 0.00 H ATOM 1727 HB3 MET A 124 8.974 16.033 2.258 1.00 0.00 H ATOM 1728 HG2 MET A 124 8.320 18.714 3.518 1.00 0.00 H ATOM 1729 HG3 MET A 124 9.427 17.493 4.188 1.00 0.00 H ATOM 1730 HE1 MET A 124 8.610 15.792 5.925 1.00 0.00 H ATOM 1731 HE2 MET A 124 8.050 17.373 6.522 1.00 0.00 H ATOM 1732 HE3 MET A 124 6.964 15.963 6.583 1.00 0.00 H ATOM 1733 H MET A 124 8.818 19.460 0.730 1.00 0.00 H ATOM 1734 N LEU A 125 9.619 17.260 -0.827 1.00 18.88 N ATOM 1735 CA LEU A 125 9.763 16.434 -2.026 1.00 17.97 C ATOM 1736 C LEU A 125 11.047 16.672 -2.783 1.00 15.58 C ATOM 1737 O LEU A 125 11.663 15.700 -3.226 1.00 21.92 O ATOM 1738 CB LEU A 125 8.545 16.706 -2.909 1.00 21.37 C ATOM 1739 CG LEU A 125 7.181 16.232 -2.413 1.00 19.05 C ATOM 1740 CD1 LEU A 125 6.154 16.441 -3.528 1.00 29.25 C ATOM 1741 CD2 LEU A 125 7.180 14.784 -1.949 1.00 24.26 C ATOM 1742 HA LEU A 125 9.815 15.388 -1.724 1.00 0.00 H ATOM 1743 HB2 LEU A 125 8.482 17.785 -3.051 1.00 0.00 H ATOM 1744 HB3 LEU A 125 8.726 16.224 -3.870 1.00 0.00 H ATOM 1745 HG LEU A 125 6.921 16.824 -1.536 1.00 0.00 H ATOM 1746 HD21 LEU A 125 7.472 14.138 -2.777 1.00 0.00 H ATOM 1747 HD22 LEU A 125 7.888 14.666 -1.128 1.00 0.00 H ATOM 1748 HD23 LEU A 125 6.180 14.513 -1.610 1.00 0.00 H ATOM 1749 HD11 LEU A 125 6.108 17.499 -3.784 1.00 0.00 H ATOM 1750 HD12 LEU A 125 6.450 15.866 -4.405 1.00 0.00 H ATOM 1751 HD13 LEU A 125 5.175 16.106 -3.186 1.00 0.00 H ATOM 1752 H LEU A 125 8.954 18.060 -0.818 1.00 0.00 H ATOM 1753 N TRP A 126 11.475 17.928 -2.952 1.00 17.36 N ATOM 1754 CA TRP A 126 12.679 18.163 -3.719 1.00 18.70 C ATOM 1755 C TRP A 126 13.907 17.637 -3.000 1.00 18.19 C ATOM 1756 O TRP A 126 14.711 16.958 -3.659 1.00 19.87 O ATOM 1757 CB TRP A 126 12.871 19.648 -4.070 1.00 19.72 C ATOM 1758 CG TRP A 126 12.173 20.021 -5.338 1.00 20.89 C ATOM 1759 CD1 TRP A 126 11.044 20.769 -5.465 1.00 25.55 C ATOM 1760 CD2 TRP A 126 12.546 19.666 -6.673 1.00 21.38 C ATOM 1761 NE1 TRP A 126 10.684 20.903 -6.777 1.00 22.72 N ATOM 1762 CE2 TRP A 126 11.599 20.234 -7.548 1.00 21.84 C ATOM 1763 CE3 TRP A 126 13.598 18.922 -7.201 1.00 24.65 C ATOM 1764 CZ2 TRP A 126 11.670 20.081 -8.930 1.00 20.80 C ATOM 1765 CZ3 TRP A 126 13.656 18.777 -8.578 1.00 25.76 C ATOM 1766 CH2 TRP A 126 12.709 19.347 -9.425 1.00 24.34 C ATOM 1767 HA TRP A 126 12.556 17.614 -4.653 1.00 0.00 H ATOM 1768 HB2 TRP A 126 12.473 20.256 -3.257 1.00 0.00 H ATOM 1769 HB3 TRP A 126 13.937 19.848 -4.183 1.00 0.00 H ATOM 1770 HE1 TRP A 126 9.856 21.424 -7.130 1.00 0.00 H ATOM 1771 HD1 TRP A 126 10.497 21.205 -4.629 1.00 0.00 H ATOM 1772 HZ2 TRP A 126 10.927 20.529 -9.589 1.00 0.00 H ATOM 1773 HH2 TRP A 126 12.799 19.205 -10.502 1.00 0.00 H ATOM 1774 HZ3 TRP A 126 14.470 18.197 -9.013 1.00 0.00 H ATOM 1775 HE3 TRP A 126 14.349 18.470 -6.554 1.00 0.00 H ATOM 1776 H TRP A 126 10.950 18.724 -2.538 1.00 0.00 H ATOM 1777 N PRO A 127 14.111 17.878 -1.711 1.00 19.53 N ATOM 1778 CA PRO A 127 15.296 17.279 -1.068 1.00 16.88 C ATOM 1779 C PRO A 127 15.238 15.761 -1.153 1.00 17.12 C ATOM 1780 O PRO A 127 16.282 15.135 -1.332 1.00 18.09 O ATOM 1781 CB PRO A 127 15.245 17.763 0.368 1.00 18.03 C ATOM 1782 CG PRO A 127 14.327 18.930 0.356 1.00 21.23 C ATOM 1783 CD PRO A 127 13.353 18.706 -0.767 1.00 24.06 C ATOM 1784 HA PRO A 127 16.228 17.569 -1.553 1.00 0.00 H ATOM 1785 HD3 PRO A 127 12.464 18.183 -0.415 1.00 0.00 H ATOM 1786 HD2 PRO A 127 13.060 19.651 -1.224 1.00 0.00 H ATOM 1787 HG3 PRO A 127 14.889 19.848 0.188 1.00 0.00 H ATOM 1788 HG2 PRO A 127 13.796 19.000 1.305 1.00 0.00 H ATOM 1789 HB2 PRO A 127 14.860 16.980 1.022 1.00 0.00 H ATOM 1790 HB3 PRO A 127 16.237 18.061 0.706 1.00 0.00 H ATOM 1791 N LEU A 128 14.055 15.156 -1.041 1.00 17.36 N ATOM 1792 CA LEU A 128 13.920 13.717 -1.153 1.00 19.42 C ATOM 1793 C LEU A 128 14.361 13.233 -2.527 1.00 19.17 C ATOM 1794 O LEU A 128 15.087 12.247 -2.667 1.00 19.15 O ATOM 1795 CB LEU A 128 12.469 13.305 -0.874 1.00 19.13 C ATOM 1796 CG LEU A 128 12.200 11.800 -0.791 1.00 19.86 C ATOM 1797 CD1 LEU A 128 13.148 11.092 0.164 1.00 19.16 C ATOM 1798 CD2 LEU A 128 10.752 11.562 -0.396 1.00 20.20 C ATOM 1799 HA LEU A 128 14.568 13.249 -0.412 1.00 0.00 H ATOM 1800 HB2 LEU A 128 12.173 13.749 0.076 1.00 0.00 H ATOM 1801 HB3 LEU A 128 11.848 13.711 -1.672 1.00 0.00 H ATOM 1802 HG LEU A 128 12.382 11.373 -1.777 1.00 0.00 H ATOM 1803 HD21 LEU A 128 10.562 12.019 0.575 1.00 0.00 H ATOM 1804 HD22 LEU A 128 10.095 12.007 -1.143 1.00 0.00 H ATOM 1805 HD23 LEU A 128 10.564 10.490 -0.338 1.00 0.00 H ATOM 1806 HD11 LEU A 128 14.175 11.232 -0.175 1.00 0.00 H ATOM 1807 HD12 LEU A 128 13.034 11.510 1.164 1.00 0.00 H ATOM 1808 HD13 LEU A 128 12.913 10.028 0.185 1.00 0.00 H ATOM 1809 H LEU A 128 13.206 15.732 -0.869 1.00 0.00 H ATOM 1810 N PHE A 129 13.912 13.952 -3.555 1.00 19.20 N ATOM 1811 CA PHE A 129 14.247 13.625 -4.946 1.00 20.75 C ATOM 1812 C PHE A 129 15.728 13.757 -5.254 1.00 20.03 C ATOM 1813 O PHE A 129 16.289 13.062 -6.104 1.00 21.83 O ATOM 1814 CB PHE A 129 13.392 14.507 -5.862 1.00 19.10 C ATOM 1815 CG PHE A 129 13.636 14.263 -7.333 1.00 21.82 C ATOM 1816 CD1 PHE A 129 13.137 13.129 -7.929 1.00 21.23 C ATOM 1817 CD2 PHE A 129 14.355 15.181 -8.083 1.00 23.76 C ATOM 1818 CE1 PHE A 129 13.362 12.911 -9.275 1.00 21.91 C ATOM 1819 CE2 PHE A 129 14.593 14.965 -9.429 1.00 26.76 C ATOM 1820 CZ PHE A 129 14.090 13.822 -10.018 1.00 26.73 C ATOM 1821 HA PHE A 129 14.022 12.573 -5.121 1.00 0.00 H ATOM 1822 HB2 PHE A 129 12.341 14.310 -5.649 1.00 0.00 H ATOM 1823 HB3 PHE A 129 13.616 15.551 -5.643 1.00 0.00 H ATOM 1824 HD2 PHE A 129 14.737 16.084 -7.607 1.00 0.00 H ATOM 1825 HE2 PHE A 129 15.167 15.684 -10.013 1.00 0.00 H ATOM 1826 HZ PHE A 129 14.268 13.636 -11.077 1.00 0.00 H ATOM 1827 HE1 PHE A 129 12.964 12.016 -9.753 1.00 0.00 H ATOM 1828 HD1 PHE A 129 12.568 12.407 -7.344 1.00 0.00 H ATOM 1829 H PHE A 129 13.303 14.773 -3.365 1.00 0.00 H ATOM 1830 N GLU A 130 16.406 14.655 -4.550 1.00 20.79 N ATOM 1831 CA GLU A 130 17.841 14.840 -4.718 1.00 21.16 C ATOM 1832 C GLU A 130 18.609 13.576 -4.333 1.00 20.08 C ATOM 1833 O GLU A 130 19.520 13.196 -5.074 1.00 24.71 O ATOM 1834 CB GLU A 130 18.328 16.022 -3.886 1.00 23.02 C ATOM 1835 CG GLU A 130 19.845 16.150 -3.907 1.00 25.51 C ATOM 1836 CD GLU A 130 20.385 17.280 -3.057 1.00 27.82 C ATOM 1837 OE1 GLU A 130 19.636 17.858 -2.254 1.00 28.34 O ATOM 1838 OE2 GLU A 130 21.589 17.619 -3.182 1.00 35.19 O ATOM 1839 HA GLU A 130 18.030 15.047 -5.771 1.00 0.00 H ATOM 1840 HB2 GLU A 130 17.892 16.937 -4.286 1.00 0.00 H ATOM 1841 HB3 GLU A 130 18.001 15.886 -2.855 1.00 0.00 H ATOM 1842 HG2 GLU A 130 20.272 15.215 -3.544 1.00 0.00 H ATOM 1843 HG3 GLU A 130 20.160 16.316 -4.937 1.00 0.00 H ATOM 1844 H GLU A 130 15.898 15.243 -3.859 1.00 0.00 H ATOM 1845 N ILE A 131 18.181 13.000 -3.212 1.00 18.56 N ATOM 1846 CA ILE A 131 18.830 11.826 -2.664 1.00 19.76 C ATOM 1847 C ILE A 131 18.136 10.551 -3.124 1.00 21.54 C ATOM 1848 O ILE A 131 18.738 9.483 -2.959 1.00 24.57 O ATOM 1849 CB ILE A 131 18.909 11.895 -1.121 1.00 20.27 C ATOM 1850 CG1 ILE A 131 17.546 11.815 -0.422 1.00 26.60 C ATOM 1851 CG2 ILE A 131 19.683 13.125 -0.686 1.00 17.41 C ATOM 1852 CD1 ILE A 131 17.639 11.807 1.094 1.00 33.00 C ATOM 1853 HA ILE A 131 19.851 11.805 -3.044 1.00 0.00 H ATOM 1854 HB ILE A 131 19.446 11.002 -0.802 1.00 0.00 H ATOM 1855 HG12 ILE A 131 16.951 12.676 -0.726 1.00 0.00 H ATOM 1856 HG13 ILE A 131 17.048 10.900 -0.742 1.00 0.00 H ATOM 1857 HD11 ILE A 131 18.222 10.944 1.416 1.00 0.00 H ATOM 1858 HD12 ILE A 131 18.125 12.722 1.432 1.00 0.00 H ATOM 1859 HD13 ILE A 131 16.637 11.749 1.518 1.00 0.00 H ATOM 1860 HG21 ILE A 131 20.693 13.079 -1.092 1.00 0.00 H ATOM 1861 HG22 ILE A 131 19.181 14.019 -1.057 1.00 0.00 H ATOM 1862 HG23 ILE A 131 19.729 13.158 0.403 1.00 0.00 H ATOM 1863 H ILE A 131 17.360 13.403 -2.717 1.00 0.00 H ATOM 1864 N ALA A 132 16.940 10.546 -3.682 1.00 19.33 N ATOM 1865 CA ALA A 132 16.264 9.300 -4.035 1.00 19.42 C ATOM 1866 C ALA A 132 15.379 9.502 -5.262 1.00 19.70 C ATOM 1867 O ALA A 132 14.146 9.367 -5.214 1.00 19.72 O ATOM 1868 CB ALA A 132 15.434 8.803 -2.854 1.00 26.49 C ATOM 1869 HA ALA A 132 17.016 8.549 -4.276 1.00 0.00 H ATOM 1870 HB1 ALA A 132 16.088 8.627 -2.000 1.00 0.00 H ATOM 1871 HB2 ALA A 132 14.689 9.555 -2.593 1.00 0.00 H ATOM 1872 HB3 ALA A 132 14.934 7.874 -3.128 1.00 0.00 H ATOM 1873 H ALA A 132 16.467 11.452 -3.875 1.00 0.00 H ATOM 1874 N PRO A 133 15.975 9.875 -6.388 1.00 22.00 N ATOM 1875 CA PRO A 133 15.185 10.202 -7.579 1.00 22.23 C ATOM 1876 C PRO A 133 14.312 9.050 -8.071 1.00 21.50 C ATOM 1877 O PRO A 133 13.337 9.297 -8.780 1.00 26.12 O ATOM 1878 CB PRO A 133 16.221 10.541 -8.653 1.00 25.18 C ATOM 1879 CG PRO A 133 17.515 10.042 -8.126 1.00 23.27 C ATOM 1880 CD PRO A 133 17.415 10.049 -6.624 1.00 24.07 C ATOM 1881 HA PRO A 133 14.494 11.013 -7.352 1.00 0.00 H ATOM 1882 HD3 PRO A 133 17.986 9.228 -6.189 1.00 0.00 H ATOM 1883 HD2 PRO A 133 17.769 10.994 -6.212 1.00 0.00 H ATOM 1884 HG3 PRO A 133 18.327 10.693 -8.450 1.00 0.00 H ATOM 1885 HG2 PRO A 133 17.699 9.029 -8.484 1.00 0.00 H ATOM 1886 HB2 PRO A 133 15.974 10.044 -9.591 1.00 0.00 H ATOM 1887 HB3 PRO A 133 16.265 11.618 -8.814 1.00 0.00 H ATOM 1888 N GLU A 134 14.600 7.798 -7.726 1.00 23.04 N ATOM 1889 CA GLU A 134 13.834 6.681 -8.278 1.00 23.73 C ATOM 1890 C GLU A 134 12.816 6.167 -7.277 1.00 20.29 C ATOM 1891 O GLU A 134 12.159 5.145 -7.494 1.00 25.71 O ATOM 1892 CB GLU A 134 14.755 5.537 -8.701 1.00 27.54 C ATOM 1893 CG GLU A 134 15.957 5.960 -9.532 1.00 30.13 C ATOM 1894 CD GLU A 134 15.535 6.234 -10.965 1.00 34.32 C ATOM 1895 OE1 GLU A 134 14.441 5.735 -11.313 1.00 41.76 O ATOM 1896 OE2 GLU A 134 16.298 6.917 -11.669 1.00 38.53 O ATOM 1897 HA GLU A 134 13.308 7.055 -9.156 1.00 0.00 H ATOM 1898 HB2 GLU A 134 15.121 5.045 -7.800 1.00 0.00 H ATOM 1899 HB3 GLU A 134 14.169 4.829 -9.287 1.00 0.00 H ATOM 1900 HG2 GLU A 134 16.390 6.865 -9.105 1.00 0.00 H ATOM 1901 HG3 GLU A 134 16.701 5.163 -9.522 1.00 0.00 H ATOM 1902 H GLU A 134 15.376 7.612 -7.059 1.00 0.00 H ATOM 1903 N LEU A 135 12.653 6.880 -6.164 1.00 21.88 N ATOM 1904 CA LEU A 135 11.706 6.544 -5.124 1.00 22.85 C ATOM 1905 C LEU A 135 10.295 6.333 -5.666 1.00 20.28 C ATOM 1906 O LEU A 135 9.781 7.107 -6.438 1.00 22.56 O ATOM 1907 CB LEU A 135 11.678 7.630 -4.035 1.00 24.66 C ATOM 1908 CG LEU A 135 10.894 7.204 -2.776 1.00 23.36 C ATOM 1909 CD1 LEU A 135 11.717 7.498 -1.545 1.00 23.13 C ATOM 1910 CD2 LEU A 135 9.545 7.891 -2.760 1.00 30.87 C ATOM 1911 HA LEU A 135 12.045 5.602 -4.693 1.00 0.00 H ATOM 1912 HB2 LEU A 135 12.704 7.857 -3.745 1.00 0.00 H ATOM 1913 HB3 LEU A 135 11.212 8.524 -4.448 1.00 0.00 H ATOM 1914 HG LEU A 135 10.706 6.130 -2.788 1.00 0.00 H ATOM 1915 HD21 LEU A 135 9.689 8.971 -2.749 1.00 0.00 H ATOM 1916 HD22 LEU A 135 8.983 7.607 -3.650 1.00 0.00 H ATOM 1917 HD23 LEU A 135 8.995 7.587 -1.869 1.00 0.00 H ATOM 1918 HD11 LEU A 135 12.654 6.943 -1.595 1.00 0.00 H ATOM 1919 HD12 LEU A 135 11.928 8.566 -1.497 1.00 0.00 H ATOM 1920 HD13 LEU A 135 11.161 7.196 -0.657 1.00 0.00 H ATOM 1921 H LEU A 135 13.241 7.728 -6.035 1.00 0.00 H ATOM 1922 N VAL A 136 9.680 5.234 -5.205 1.00 22.61 N ATOM 1923 CA VAL A 136 8.258 4.985 -5.481 1.00 23.35 C ATOM 1924 C VAL A 136 7.582 4.824 -4.121 1.00 20.94 C ATOM 1925 O VAL A 136 8.193 4.213 -3.234 1.00 24.37 O ATOM 1926 CB VAL A 136 8.075 3.762 -6.370 1.00 23.07 C ATOM 1927 CG1 VAL A 136 6.610 3.405 -6.609 1.00 27.27 C ATOM 1928 CG2 VAL A 136 8.760 3.993 -7.720 1.00 29.32 C ATOM 1929 HA VAL A 136 7.806 5.809 -6.033 1.00 0.00 H ATOM 1930 HB VAL A 136 8.531 2.925 -5.842 1.00 0.00 H ATOM 1931 HG11 VAL A 136 6.128 3.193 -5.654 1.00 0.00 H ATOM 1932 HG12 VAL A 136 6.108 4.242 -7.093 1.00 0.00 H ATOM 1933 HG13 VAL A 136 6.552 2.525 -7.250 1.00 0.00 H ATOM 1934 HG21 VAL A 136 8.317 4.862 -8.207 1.00 0.00 H ATOM 1935 HG22 VAL A 136 9.824 4.167 -7.561 1.00 0.00 H ATOM 1936 HG23 VAL A 136 8.625 3.114 -8.350 1.00 0.00 H ATOM 1937 H VAL A 136 10.219 4.545 -4.642 1.00 0.00 H ATOM 1938 N PHE A 137 6.402 5.383 -3.930 1.00 20.23 N ATOM 1939 CA PHE A 137 5.672 5.315 -2.679 1.00 22.31 C ATOM 1940 C PHE A 137 4.965 3.972 -2.569 1.00 22.17 C ATOM 1941 O PHE A 137 4.750 3.353 -3.615 1.00 25.87 O ATOM 1942 CB PHE A 137 4.597 6.394 -2.562 1.00 21.35 C ATOM 1943 CG PHE A 137 5.176 7.783 -2.393 1.00 20.04 C ATOM 1944 CD1 PHE A 137 5.688 8.452 -3.476 1.00 20.04 C ATOM 1945 CD2 PHE A 137 5.215 8.414 -1.165 1.00 24.59 C ATOM 1946 CE1 PHE A 137 6.239 9.713 -3.362 1.00 23.45 C ATOM 1947 CE2 PHE A 137 5.750 9.681 -1.035 1.00 26.68 C ATOM 1948 CZ PHE A 137 6.254 10.353 -2.140 1.00 22.43 C ATOM 1949 HA PHE A 137 6.408 5.458 -1.888 1.00 0.00 H ATOM 1950 HB2 PHE A 137 3.987 6.378 -3.465 1.00 0.00 H ATOM 1951 HB3 PHE A 137 3.971 6.170 -1.698 1.00 0.00 H ATOM 1952 HD2 PHE A 137 4.818 7.905 -0.286 1.00 0.00 H ATOM 1953 HE2 PHE A 137 5.777 10.158 -0.055 1.00 0.00 H ATOM 1954 HZ PHE A 137 6.652 11.363 -2.044 1.00 0.00 H ATOM 1955 HE1 PHE A 137 6.663 10.203 -4.239 1.00 0.00 H ATOM 1956 HD1 PHE A 137 5.659 7.974 -4.455 1.00 0.00 H ATOM 1957 H PHE A 137 5.971 5.902 -4.722 1.00 0.00 H ATOM 1958 N PRO A 138 4.619 3.540 -1.368 1.00 25.34 N ATOM 1959 CA PRO A 138 3.906 2.261 -1.196 1.00 25.30 C ATOM 1960 C PRO A 138 2.721 2.085 -2.129 1.00 30.93 C ATOM 1961 O PRO A 138 2.508 0.983 -2.635 1.00 37.34 O ATOM 1962 CB PRO A 138 3.420 2.353 0.255 1.00 22.74 C ATOM 1963 CG PRO A 138 4.539 3.089 0.922 1.00 25.16 C ATOM 1964 CD PRO A 138 4.882 4.188 -0.072 1.00 24.86 C ATOM 1965 HA PRO A 138 4.549 1.410 -1.422 1.00 0.00 H ATOM 1966 HD3 PRO A 138 4.244 5.060 0.069 1.00 0.00 H ATOM 1967 HD2 PRO A 138 5.927 4.486 0.015 1.00 0.00 H ATOM 1968 HG3 PRO A 138 5.393 2.433 1.088 1.00 0.00 H ATOM 1969 HG2 PRO A 138 4.216 3.511 1.874 1.00 0.00 H ATOM 1970 HB2 PRO A 138 2.485 2.909 0.324 1.00 0.00 H ATOM 1971 HB3 PRO A 138 3.285 1.363 0.690 1.00 0.00 H ATOM 1972 N ASP A 139 1.957 3.151 -2.335 1.00 30.88 N ATOM 1973 CA ASP A 139 0.760 3.032 -3.183 1.00 33.22 C ATOM 1974 C ASP A 139 1.137 2.867 -4.649 1.00 31.54 C ATOM 1975 O ASP A 139 0.327 2.481 -5.496 1.00 34.27 O ATOM 1976 CB ASP A 139 -0.159 4.214 -2.909 1.00 35.74 C ATOM 1977 CG ASP A 139 0.194 5.544 -3.515 1.00 36.72 C ATOM 1978 OD1 ASP A 139 1.358 5.744 -3.924 1.00 35.68 O ATOM 1979 OD2 ASP A 139 -0.701 6.416 -3.587 1.00 39.42 O ATOM 1980 HA ASP A 139 0.207 2.126 -2.933 1.00 0.00 H ATOM 1981 HB2 ASP A 139 -1.150 3.945 -3.275 1.00 0.00 H ATOM 1982 HB3 ASP A 139 -0.197 4.351 -1.828 1.00 0.00 H ATOM 1983 H ASP A 139 2.203 4.063 -1.900 1.00 0.00 H ATOM 1984 N GLY A 140 2.402 3.140 -4.991 1.00 32.96 N ATOM 1985 CA GLY A 140 2.824 2.968 -6.371 1.00 31.73 C ATOM 1986 C GLY A 140 3.063 4.282 -7.092 1.00 33.36 C ATOM 1987 O GLY A 140 3.550 4.287 -8.239 1.00 31.98 O ATOM 1988 HA3 GLY A 140 2.050 2.416 -6.904 1.00 0.00 H ATOM 1989 HA2 GLY A 140 3.750 2.394 -6.381 1.00 0.00 H ATOM 1990 H GLY A 140 3.078 3.473 -4.274 1.00 0.00 H ATOM 1991 N GLU A 141 2.715 5.373 -6.405 1.00 34.75 N ATOM 1992 CA GLU A 141 2.954 6.717 -6.946 1.00 31.11 C ATOM 1993 C GLU A 141 4.461 6.917 -7.081 1.00 28.90 C ATOM 1994 O GLU A 141 5.218 6.458 -6.211 1.00 27.11 O ATOM 1995 CB GLU A 141 2.325 7.756 -6.031 1.00 32.24 C ATOM 1996 CG GLU A 141 0.809 7.891 -5.962 1.00 36.99 C ATOM 1997 CD GLU A 141 0.347 8.986 -5.031 1.00 44.55 C ATOM 1998 OE1 GLU A 141 0.460 10.167 -5.371 1.00 43.38 O ATOM 1999 OE2 GLU A 141 -0.052 8.647 -3.888 1.00 48.59 O ATOM 2000 HA GLU A 141 2.496 6.830 -7.929 1.00 0.00 H ATOM 2001 HB2 GLU A 141 2.668 7.535 -5.020 1.00 0.00 H ATOM 2002 HB3 GLU A 141 2.714 8.726 -6.341 1.00 0.00 H ATOM 2003 HG2 GLU A 141 0.435 8.107 -6.963 1.00 0.00 H ATOM 2004 HG3 GLU A 141 0.393 6.945 -5.617 1.00 0.00 H ATOM 2005 H GLU A 141 2.268 5.269 -5.472 1.00 0.00 H ATOM 2006 N MET A 142 4.962 7.567 -8.127 1.00 31.36 N ATOM 2007 CA MET A 142 6.408 7.757 -8.209 1.00 30.61 C ATOM 2008 C MET A 142 6.719 9.220 -7.879 1.00 26.08 C ATOM 2009 O MET A 142 6.058 10.140 -8.354 1.00 28.56 O ATOM 2010 CB MET A 142 7.008 7.375 -9.565 1.00 32.25 C ATOM 2011 CG MET A 142 6.538 6.050 -10.151 1.00 34.30 C ATOM 2012 SD MET A 142 6.785 5.785 -11.913 1.00 41.98 S ATOM 2013 CE MET A 142 5.870 7.190 -12.566 1.00 43.94 C ATOM 2014 HA MET A 142 6.871 7.082 -7.489 1.00 0.00 H ATOM 2015 HB2 MET A 142 6.757 8.163 -10.275 1.00 0.00 H ATOM 2016 HB3 MET A 142 8.091 7.324 -9.449 1.00 0.00 H ATOM 2017 HG2 MET A 142 5.469 5.967 -9.955 1.00 0.00 H ATOM 2018 HG3 MET A 142 7.065 5.255 -9.624 1.00 0.00 H ATOM 2019 HE1 MET A 142 4.830 7.124 -12.248 1.00 0.00 H ATOM 2020 HE2 MET A 142 6.308 8.114 -12.189 1.00 0.00 H ATOM 2021 HE3 MET A 142 5.920 7.180 -13.655 1.00 0.00 H ATOM 2022 H MET A 142 4.336 7.933 -8.873 1.00 0.00 H ATOM 2023 N LEU A 143 7.731 9.398 -7.055 1.00 23.70 N ATOM 2024 CA LEU A 143 8.162 10.714 -6.598 1.00 26.19 C ATOM 2025 C LEU A 143 8.423 11.641 -7.765 1.00 25.54 C ATOM 2026 O LEU A 143 8.060 12.818 -7.771 1.00 25.61 O ATOM 2027 CB LEU A 143 9.414 10.560 -5.740 1.00 24.46 C ATOM 2028 CG LEU A 143 10.048 11.874 -5.276 1.00 17.81 C ATOM 2029 CD1 LEU A 143 9.050 12.656 -4.429 1.00 21.70 C ATOM 2030 CD2 LEU A 143 11.318 11.611 -4.511 1.00 20.28 C ATOM 2031 HA LEU A 143 7.366 11.160 -6.002 1.00 0.00 H ATOM 2032 HB2 LEU A 143 9.148 9.982 -4.855 1.00 0.00 H ATOM 2033 HB3 LEU A 143 10.157 10.013 -6.321 1.00 0.00 H ATOM 2034 HG LEU A 143 10.307 12.472 -6.150 1.00 0.00 H ATOM 2035 HD21 LEU A 143 11.094 10.999 -3.637 1.00 0.00 H ATOM 2036 HD22 LEU A 143 12.025 11.085 -5.153 1.00 0.00 H ATOM 2037 HD23 LEU A 143 11.751 12.559 -4.191 1.00 0.00 H ATOM 2038 HD11 LEU A 143 8.162 12.873 -5.023 1.00 0.00 H ATOM 2039 HD12 LEU A 143 8.770 12.062 -3.559 1.00 0.00 H ATOM 2040 HD13 LEU A 143 9.507 13.590 -4.102 1.00 0.00 H ATOM 2041 H LEU A 143 8.246 8.561 -6.715 1.00 0.00 H ATOM 2042 N ARG A 144 9.048 11.095 -8.812 1.00 25.85 N ATOM 2043 CA ARG A 144 9.305 11.919 -9.996 1.00 27.97 C ATOM 2044 C ARG A 144 8.026 12.428 -10.642 1.00 28.63 C ATOM 2045 O ARG A 144 7.957 13.581 -11.083 1.00 24.25 O ATOM 2046 CB ARG A 144 10.109 11.098 -11.009 1.00 35.48 C ATOM 2047 CG ARG A 144 10.173 11.706 -12.386 1.00 45.35 C ATOM 2048 CD ARG A 144 10.756 10.750 -13.425 1.00 53.44 C ATOM 2049 NE ARG A 144 10.366 9.393 -13.059 1.00 59.68 N ATOM 2050 CZ ARG A 144 9.196 8.826 -13.367 1.00 60.17 C ATOM 2051 NH1 ARG A 144 8.251 9.478 -14.063 1.00 62.11 N ATOM 2052 NH2 ARG A 144 9.099 7.560 -12.909 1.00 58.66 N ATOM 2053 HA ARG A 144 9.869 12.795 -9.677 1.00 0.00 H ATOM 2054 HB2 ARG A 144 11.127 10.994 -10.634 1.00 0.00 H ATOM 2055 HB3 ARG A 144 9.651 10.113 -11.091 1.00 0.00 H ATOM 2056 HG2 ARG A 144 9.164 11.982 -12.693 1.00 0.00 H ATOM 2057 HG3 ARG A 144 10.796 12.599 -12.345 1.00 0.00 H ATOM 2058 HD2 ARG A 144 11.843 10.833 -13.435 1.00 0.00 H ATOM 2059 HD3 ARG A 144 10.365 10.994 -14.413 1.00 0.00 H ATOM 2060 HE ARG A 144 11.049 8.825 -12.518 1.00 0.00 H ATOM 2061 HH12 ARG A 144 7.351 9.007 -14.286 1.00 0.00 H ATOM 2062 HH11 ARG A 144 8.419 10.454 -14.379 1.00 0.00 H ATOM 2063 HH22 ARG A 144 8.235 7.009 -13.084 1.00 0.00 H ATOM 2064 HH21 ARG A 144 9.888 7.136 -12.381 1.00 0.00 H ATOM 2065 H ARG A 144 9.348 10.099 -8.787 1.00 0.00 H ATOM 2066 N GLN A 145 7.030 11.554 -10.728 1.00 31.96 N ATOM 2067 CA GLN A 145 5.735 11.908 -11.302 1.00 35.74 C ATOM 2068 C GLN A 145 5.075 13.005 -10.483 1.00 31.78 C ATOM 2069 O GLN A 145 4.542 13.972 -11.022 1.00 33.74 O ATOM 2070 CB GLN A 145 4.863 10.655 -11.384 1.00 40.41 C ATOM 2071 CG GLN A 145 3.814 10.608 -12.470 1.00 39.87 C ATOM 2072 CD GLN A 145 4.303 10.950 -13.863 1.00 43.69 C ATOM 2073 OE1 GLN A 145 4.812 10.106 -14.617 1.00 52.86 O ATOM 2074 NE2 GLN A 145 4.140 12.216 -14.240 1.00 44.63 N ATOM 2075 HA GLN A 145 5.870 12.299 -12.311 1.00 0.00 H ATOM 2076 HB2 GLN A 145 5.527 9.803 -11.533 1.00 0.00 H ATOM 2077 HB3 GLN A 145 4.349 10.551 -10.428 1.00 0.00 H ATOM 2078 HG2 GLN A 145 3.402 9.599 -12.496 1.00 0.00 H ATOM 2079 HG3 GLN A 145 3.026 11.314 -12.207 1.00 0.00 H ATOM 2080 HE22 GLN A 145 3.710 12.902 -13.587 1.00 0.00 H ATOM 2081 HE21 GLN A 145 4.442 12.519 -15.188 1.00 0.00 H ATOM 2082 H GLN A 145 7.177 10.587 -10.375 1.00 0.00 H ATOM 2083 N ILE A 146 5.114 12.870 -9.150 1.00 32.93 N ATOM 2084 CA ILE A 146 4.473 13.900 -8.332 1.00 30.23 C ATOM 2085 C ILE A 146 5.123 15.263 -8.549 1.00 27.21 C ATOM 2086 O ILE A 146 4.419 16.272 -8.634 1.00 29.87 O ATOM 2087 CB ILE A 146 4.457 13.544 -6.835 1.00 31.65 C ATOM 2088 CG1 ILE A 146 3.633 12.304 -6.486 1.00 34.46 C ATOM 2089 CG2 ILE A 146 3.976 14.736 -6.020 1.00 30.25 C ATOM 2090 CD1 ILE A 146 3.902 11.781 -5.095 1.00 31.12 C ATOM 2091 HA ILE A 146 3.435 13.951 -8.662 1.00 0.00 H ATOM 2092 HB ILE A 146 5.487 13.296 -6.580 1.00 0.00 H ATOM 2093 HG12 ILE A 146 2.576 12.558 -6.562 1.00 0.00 H ATOM 2094 HG13 ILE A 146 3.869 11.518 -7.203 1.00 0.00 H ATOM 2095 HD11 ILE A 146 4.955 11.512 -5.006 1.00 0.00 H ATOM 2096 HD12 ILE A 146 3.660 12.553 -4.365 1.00 0.00 H ATOM 2097 HD13 ILE A 146 3.285 10.901 -4.913 1.00 0.00 H ATOM 2098 HG21 ILE A 146 4.648 15.579 -6.181 1.00 0.00 H ATOM 2099 HG22 ILE A 146 2.968 15.007 -6.335 1.00 0.00 H ATOM 2100 HG23 ILE A 146 3.969 14.472 -4.962 1.00 0.00 H ATOM 2101 H ILE A 146 5.587 12.055 -8.709 1.00 0.00 H ATOM 2102 N LEU A 147 6.449 15.320 -8.648 1.00 24.13 N ATOM 2103 CA LEU A 147 7.124 16.578 -8.884 1.00 24.29 C ATOM 2104 C LEU A 147 6.838 17.091 -10.293 1.00 29.13 C ATOM 2105 O LEU A 147 6.806 18.277 -10.557 1.00 30.77 O ATOM 2106 CB LEU A 147 8.646 16.442 -8.705 1.00 22.12 C ATOM 2107 CG LEU A 147 9.142 16.294 -7.277 1.00 23.26 C ATOM 2108 CD1 LEU A 147 10.593 15.831 -7.206 1.00 22.36 C ATOM 2109 CD2 LEU A 147 8.964 17.622 -6.550 1.00 26.21 C ATOM 2110 HA LEU A 147 6.741 17.287 -8.150 1.00 0.00 H ATOM 2111 HB2 LEU A 147 8.970 15.563 -9.263 1.00 0.00 H ATOM 2112 HB3 LEU A 147 9.112 17.332 -9.129 1.00 0.00 H ATOM 2113 HG LEU A 147 8.549 15.519 -6.791 1.00 0.00 H ATOM 2114 HD21 LEU A 147 9.538 18.394 -7.061 1.00 0.00 H ATOM 2115 HD22 LEU A 147 7.909 17.894 -6.547 1.00 0.00 H ATOM 2116 HD23 LEU A 147 9.318 17.523 -5.524 1.00 0.00 H ATOM 2117 HD11 LEU A 147 10.688 14.862 -7.696 1.00 0.00 H ATOM 2118 HD12 LEU A 147 11.230 16.558 -7.709 1.00 0.00 H ATOM 2119 HD13 LEU A 147 10.894 15.742 -6.162 1.00 0.00 H ATOM 2120 H LEU A 147 7.008 14.448 -8.554 1.00 0.00 H ATOM 2121 N HIS A 148 6.645 16.145 -11.194 1.00 31.34 N ATOM 2122 CA HIS A 148 6.302 16.417 -12.578 1.00 36.25 C ATOM 2123 C HIS A 148 4.905 17.000 -12.714 1.00 36.02 C ATOM 2124 O HIS A 148 4.640 17.989 -13.376 1.00 40.59 O ATOM 2125 CB HIS A 148 6.360 15.104 -13.386 1.00 42.83 C ATOM 2126 CG HIS A 148 7.500 15.224 -14.340 1.00 48.73 C ATOM 2127 ND1 HIS A 148 7.395 16.096 -15.405 1.00 51.42 N ATOM 2128 CD2 HIS A 148 8.722 14.660 -14.406 1.00 50.13 C ATOM 2129 CE1 HIS A 148 8.518 16.042 -16.089 1.00 48.22 C ATOM 2130 NE2 HIS A 148 9.337 15.185 -15.522 1.00 47.70 N ATOM 2131 HA HIS A 148 7.019 17.145 -12.956 1.00 0.00 H ATOM 2132 HB2 HIS A 148 6.521 14.259 -12.716 1.00 0.00 H ATOM 2133 HB3 HIS A 148 5.428 14.960 -13.933 1.00 0.00 H ATOM 2134 HD2 HIS A 148 9.142 13.931 -13.713 1.00 0.00 H ATOM 2135 HE1 HIS A 148 8.735 16.619 -16.988 1.00 0.00 H ATOM 2136 H HIS A 148 6.744 15.153 -10.896 1.00 0.00 H ATOM 2137 N THR A 149 4.032 16.281 -12.014 1.00 37.41 N ATOM 2138 CA THR A 149 2.608 16.592 -12.014 1.00 42.84 C ATOM 2139 C THR A 149 2.384 17.917 -11.318 1.00 42.23 C ATOM 2140 O THR A 149 1.711 18.797 -11.844 1.00 46.47 O ATOM 2141 CB THR A 149 1.862 15.425 -11.349 1.00 43.12 C ATOM 2142 OG1 THR A 149 1.945 14.288 -12.229 1.00 56.20 O ATOM 2143 CG2 THR A 149 0.391 15.728 -11.140 1.00 53.70 C ATOM 2144 HA THR A 149 2.219 16.702 -13.026 1.00 0.00 H ATOM 2145 HB THR A 149 2.320 15.243 -10.377 1.00 0.00 H ATOM 2146 HG1 THR A 149 2.896 14.051 -12.371 1.00 0.00 H ATOM 2147 HG23 THR A 149 0.289 16.587 -10.476 1.00 0.00 H ATOM 2148 HG21 THR A 149 -0.072 15.953 -12.101 1.00 0.00 H ATOM 2149 HG22 THR A 149 -0.097 14.862 -10.693 1.00 0.00 H ATOM 2150 H THR A 149 4.374 15.476 -11.452 1.00 0.00 H ATOM 2151 N ARG A 150 2.965 18.086 -10.134 1.00 40.63 N ATOM 2152 CA ARG A 150 2.793 19.349 -9.419 1.00 42.91 C ATOM 2153 C ARG A 150 3.737 20.409 -9.967 1.00 44.34 C ATOM 2154 O ARG A 150 3.491 21.598 -9.792 1.00 52.52 O ATOM 2155 CB ARG A 150 3.031 19.191 -7.910 1.00 42.98 C ATOM 2156 CG ARG A 150 1.987 18.323 -7.218 1.00 39.72 C ATOM 2157 CD ARG A 150 0.623 18.991 -7.250 1.00 39.53 C ATOM 2158 NE ARG A 150 0.615 20.245 -6.512 1.00 41.70 N ATOM 2159 CZ ARG A 150 0.445 20.384 -5.207 1.00 37.85 C ATOM 2160 NH1 ARG A 150 0.257 19.336 -4.413 1.00 33.57 N ATOM 2161 NH2 ARG A 150 0.465 21.610 -4.686 1.00 35.42 N ATOM 2162 HA ARG A 150 1.760 19.662 -9.573 1.00 0.00 H ATOM 2163 HB2 ARG A 150 4.011 18.738 -7.760 1.00 0.00 H ATOM 2164 HB3 ARG A 150 3.016 20.180 -7.453 1.00 0.00 H ATOM 2165 HG2 ARG A 150 1.926 17.361 -7.728 1.00 0.00 H ATOM 2166 HG3 ARG A 150 2.284 18.165 -6.181 1.00 0.00 H ATOM 2167 HD2 ARG A 150 -0.110 18.317 -6.808 1.00 0.00 H ATOM 2168 HD3 ARG A 150 0.352 19.190 -8.287 1.00 0.00 H ATOM 2169 HE ARG A 150 0.756 21.116 -7.063 1.00 0.00 H ATOM 2170 HH12 ARG A 150 0.126 19.475 -3.391 1.00 0.00 H ATOM 2171 HH11 ARG A 150 0.241 18.376 -4.814 1.00 0.00 H ATOM 2172 HH22 ARG A 150 0.333 21.742 -3.663 1.00 0.00 H ATOM 2173 HH21 ARG A 150 0.612 22.435 -5.302 1.00 0.00 H ATOM 2174 H ARG A 150 3.538 17.324 -9.719 1.00 0.00 H ATOM 2175 N ALA A 151 4.812 19.964 -10.612 1.00 47.37 N ATOM 2176 CA ALA A 151 5.762 20.920 -11.131 1.00 52.28 C ATOM 2177 C ALA A 151 6.258 21.879 -10.067 1.00 46.22 C ATOM 2178 O ALA A 151 6.276 23.109 -10.184 1.00 41.91 O ATOM 2179 CB ALA A 151 5.253 21.631 -12.358 1.00 86.28 C ATOM 2180 HA ALA A 151 6.631 20.345 -11.452 1.00 0.00 H ATOM 2181 HB1 ALA A 151 5.049 20.901 -13.141 1.00 0.00 H ATOM 2182 HB2 ALA A 151 4.337 22.167 -12.112 1.00 0.00 H ATOM 2183 HB3 ALA A 151 6.007 22.337 -12.706 1.00 0.00 H ATOM 2184 H ALA A 151 4.966 18.944 -10.741 1.00 0.00 H ATOM 2185 N PHE A 152 6.649 21.296 -8.926 1.00 39.17 N ATOM 2186 CA PHE A 152 7.105 22.174 -7.843 1.00 41.02 C ATOM 2187 C PHE A 152 8.349 22.919 -8.306 1.00 35.89 C ATOM 2188 O PHE A 152 9.267 22.341 -8.888 1.00 33.85 O ATOM 2189 CB PHE A 152 7.342 21.339 -6.592 1.00 42.58 C ATOM 2190 CG PHE A 152 6.096 20.928 -5.826 1.00 40.06 C ATOM 2191 CD1 PHE A 152 5.192 21.899 -5.420 1.00 42.53 C ATOM 2192 CD2 PHE A 152 5.827 19.605 -5.510 1.00 39.41 C ATOM 2193 CE1 PHE A 152 4.049 21.574 -4.714 1.00 44.80 C ATOM 2194 CE2 PHE A 152 4.677 19.270 -4.810 1.00 40.57 C ATOM 2195 CZ PHE A 152 3.792 20.251 -4.408 1.00 43.28 C ATOM 2196 HA PHE A 152 6.352 22.921 -7.592 1.00 0.00 H ATOM 2197 HB2 PHE A 152 7.867 20.431 -6.890 1.00 0.00 H ATOM 2198 HB3 PHE A 152 7.974 21.918 -5.918 1.00 0.00 H ATOM 2199 HD2 PHE A 152 6.523 18.823 -5.813 1.00 0.00 H ATOM 2200 HE2 PHE A 152 4.471 18.226 -4.576 1.00 0.00 H ATOM 2201 HZ PHE A 152 2.894 19.983 -3.851 1.00 0.00 H ATOM 2202 HE1 PHE A 152 3.356 22.355 -4.401 1.00 0.00 H ATOM 2203 HD1 PHE A 152 5.388 22.943 -5.664 1.00 0.00 H ATOM 2204 H PHE A 152 6.630 20.262 -8.813 1.00 0.00 H ATOM 2205 N ASP A 153 8.404 24.223 -8.072 1.00 35.35 N ATOM 2206 CA ASP A 153 9.599 25.000 -8.384 1.00 33.84 C ATOM 2207 C ASP A 153 10.817 24.362 -7.737 1.00 31.68 C ATOM 2208 O ASP A 153 10.762 23.859 -6.604 1.00 30.88 O ATOM 2209 CB ASP A 153 9.412 26.442 -7.886 1.00 37.52 C ATOM 2210 CG ASP A 153 8.261 27.169 -8.546 1.00 37.49 C ATOM 2211 OD1 ASP A 153 7.912 26.819 -9.704 1.00 41.12 O ATOM 2212 OD2 ASP A 153 7.711 28.103 -7.912 1.00 37.85 O ATOM 2213 HA ASP A 153 9.755 25.016 -9.463 1.00 0.00 H ATOM 2214 HB2 ASP A 153 9.231 26.415 -6.811 1.00 0.00 H ATOM 2215 HB3 ASP A 153 10.329 26.997 -8.085 1.00 0.00 H ATOM 2216 H ASP A 153 7.579 24.702 -7.658 1.00 0.00 H ATOM 2217 N LYS A 154 11.952 24.347 -8.415 1.00 30.70 N ATOM 2218 CA LYS A 154 13.155 23.794 -7.782 1.00 34.26 C ATOM 2219 C LYS A 154 13.517 24.675 -6.595 1.00 32.66 C ATOM 2220 O LYS A 154 13.260 25.882 -6.598 1.00 32.92 O ATOM 2221 CB LYS A 154 14.332 23.688 -8.752 1.00 42.44 C ATOM 2222 CG LYS A 154 14.297 22.459 -9.648 1.00 46.09 C ATOM 2223 CD LYS A 154 15.665 22.020 -10.137 1.00 43.17 C ATOM 2224 CE LYS A 154 15.649 21.810 -11.643 1.00 42.98 C ATOM 2225 NZ LYS A 154 16.979 21.434 -12.194 1.00 37.26 N ATOM 2226 HA LYS A 154 12.939 22.777 -7.454 1.00 0.00 H ATOM 2227 HB2 LYS A 154 14.332 24.574 -9.387 1.00 0.00 H ATOM 2228 HB3 LYS A 154 15.253 23.660 -8.170 1.00 0.00 H ATOM 2229 HG2 LYS A 154 13.852 21.637 -9.088 1.00 0.00 H ATOM 2230 HG3 LYS A 154 13.677 22.683 -10.516 1.00 0.00 H ATOM 2231 HD2 LYS A 154 16.398 22.787 -9.889 1.00 0.00 H ATOM 2232 HD3 LYS A 154 15.939 21.086 -9.647 1.00 0.00 H ATOM 2233 HE2 LYS A 154 15.325 22.735 -12.119 1.00 0.00 H ATOM 2234 HE3 LYS A 154 14.940 21.016 -11.875 1.00 0.00 H ATOM 2235 HZ1 LYS A 154 17.664 22.189 -11.988 1.00 0.00 H ATOM 2236 HZ2 LYS A 154 17.296 20.546 -11.755 1.00 0.00 H ATOM 2237 HZ3 LYS A 154 16.903 21.305 -13.223 1.00 0.00 H ATOM 2238 H LYS A 154 11.992 24.722 -9.384 1.00 0.00 H ATOM 2239 N LEU A 155 14.103 24.064 -5.567 1.00 34.48 N ATOM 2240 CA LEU A 155 14.437 24.844 -4.385 1.00 34.08 C ATOM 2241 C LEU A 155 15.820 25.476 -4.576 1.00 36.89 C ATOM 2242 O LEU A 155 16.577 25.047 -5.456 1.00 31.76 O ATOM 2243 CB LEU A 155 14.442 24.011 -3.110 1.00 34.81 C ATOM 2244 CG LEU A 155 13.159 23.237 -2.789 1.00 30.67 C ATOM 2245 CD1 LEU A 155 13.447 22.248 -1.669 1.00 34.81 C ATOM 2246 CD2 LEU A 155 12.022 24.183 -2.433 1.00 37.16 C ATOM 2247 HA LEU A 155 13.667 25.607 -4.271 1.00 0.00 H ATOM 2248 HB2 LEU A 155 15.253 23.287 -3.191 1.00 0.00 H ATOM 2249 HB3 LEU A 155 14.639 24.684 -2.276 1.00 0.00 H ATOM 2250 HG LEU A 155 12.835 22.684 -3.671 1.00 0.00 H ATOM 2251 HD21 LEU A 155 12.301 24.773 -1.560 1.00 0.00 H ATOM 2252 HD22 LEU A 155 11.827 24.848 -3.275 1.00 0.00 H ATOM 2253 HD23 LEU A 155 11.126 23.604 -2.210 1.00 0.00 H ATOM 2254 HD11 LEU A 155 14.226 21.555 -1.989 1.00 0.00 H ATOM 2255 HD12 LEU A 155 13.782 22.790 -0.785 1.00 0.00 H ATOM 2256 HD13 LEU A 155 12.539 21.693 -1.434 1.00 0.00 H ATOM 2257 H LEU A 155 14.318 23.047 -5.608 1.00 0.00 H ATOM 2258 N ASN A 156 16.028 26.450 -3.696 1.00 34.50 N ATOM 2259 CA ASN A 156 17.304 27.148 -3.629 1.00 31.82 C ATOM 2260 C ASN A 156 18.043 26.586 -2.413 1.00 35.96 C ATOM 2261 O ASN A 156 17.465 26.586 -1.322 1.00 35.20 O ATOM 2262 CB ASN A 156 17.152 28.658 -3.537 1.00 33.65 C ATOM 2263 CG ASN A 156 16.045 29.214 -4.411 1.00 39.31 C ATOM 2264 OD1 ASN A 156 16.070 29.133 -5.644 1.00 48.03 O ATOM 2265 ND2 ASN A 156 15.028 29.797 -3.767 1.00 46.55 N ATOM 2266 HA ASN A 156 17.865 26.982 -4.549 1.00 0.00 H ATOM 2267 HB2 ASN A 156 16.937 28.920 -2.501 1.00 0.00 H ATOM 2268 HB3 ASN A 156 18.093 29.118 -3.839 1.00 0.00 H ATOM 2269 HD22 ASN A 156 15.033 29.851 -2.728 1.00 0.00 H ATOM 2270 HD21 ASN A 156 14.232 30.196 -4.305 1.00 0.00 H ATOM 2271 H ASN A 156 15.265 26.719 -3.043 1.00 0.00 H ATOM 2272 N LYS A 157 19.259 26.131 -2.691 1.00 36.13 N ATOM 2273 CA LYS A 157 20.173 25.589 -1.670 1.00 36.69 C ATOM 2274 C LYS A 157 20.485 26.674 -0.630 1.00 35.25 C ATOM 2275 O LYS A 157 20.435 27.870 -0.971 1.00 29.70 O ATOM 2276 CB LYS A 157 21.460 25.156 -2.388 1.00 36.92 C ATOM 2277 CG LYS A 157 21.527 23.689 -2.793 1.00 40.40 C ATOM 2278 CD LYS A 157 22.232 23.531 -4.128 1.00 41.97 C ATOM 2279 CE LYS A 157 21.962 22.155 -4.717 1.00 43.41 C ATOM 2280 NZ LYS A 157 23.056 21.198 -4.385 1.00 54.39 N ATOM 2281 HA LYS A 157 19.723 24.741 -1.154 1.00 0.00 H ATOM 2282 HB2 LYS A 157 21.559 25.758 -3.291 1.00 0.00 H ATOM 2283 HB3 LYS A 157 22.300 25.359 -1.723 1.00 0.00 H ATOM 2284 HG2 LYS A 157 22.073 23.132 -2.032 1.00 0.00 H ATOM 2285 HG3 LYS A 157 20.515 23.294 -2.874 1.00 0.00 H ATOM 2286 HD2 LYS A 157 21.869 24.293 -4.817 1.00 0.00 H ATOM 2287 HD3 LYS A 157 23.305 23.655 -3.983 1.00 0.00 H ATOM 2288 HE2 LYS A 157 21.883 22.242 -5.801 1.00 0.00 H ATOM 2289 HE3 LYS A 157 21.023 21.775 -4.315 1.00 0.00 H ATOM 2290 HZ1 LYS A 157 23.954 21.553 -4.771 1.00 0.00 H ATOM 2291 HZ2 LYS A 157 23.133 21.106 -3.352 1.00 0.00 H ATOM 2292 HZ3 LYS A 157 22.841 20.270 -4.801 1.00 0.00 H ATOM 2293 H LYS A 157 19.583 26.159 -3.679 1.00 0.00 H ATOM 2294 N TRP A 158 20.795 26.285 0.602 1.00 31.28 N ATOM 2295 CA TRP A 158 21.134 27.223 1.668 1.00 33.86 C ATOM 2296 C TRP A 158 22.403 28.016 1.343 1.00 34.24 C ATOM 2297 O TRP A 158 22.459 29.190 1.751 1.00 27.20 O ATOM 2298 CB TRP A 158 21.330 26.545 3.017 1.00 34.77 C ATOM 2299 CG TRP A 158 21.333 27.435 4.223 1.00 34.20 C ATOM 2300 CD1 TRP A 158 22.414 27.887 4.916 1.00 35.62 C ATOM 2301 CD2 TRP A 158 20.188 27.993 4.900 1.00 31.90 C ATOM 2302 NE1 TRP A 158 22.042 28.687 5.973 1.00 35.02 N ATOM 2303 CE2 TRP A 158 20.670 28.765 5.985 1.00 34.56 C ATOM 2304 CE3 TRP A 158 18.805 27.913 4.698 1.00 30.42 C ATOM 2305 CZ2 TRP A 158 19.832 29.451 6.855 1.00 35.66 C ATOM 2306 CZ3 TRP A 158 17.978 28.596 5.568 1.00 33.85 C ATOM 2307 CH2 TRP A 158 18.469 29.357 6.637 1.00 37.34 C ATOM 2308 HA TRP A 158 20.279 27.895 1.735 1.00 0.00 H ATOM 2309 OXT TRP A 158 23.294 27.417 0.704 1.00 38.15 O ATOM 2310 HB2 TRP A 158 20.526 25.820 3.143 1.00 0.00 H ATOM 2311 HB3 TRP A 158 22.286 26.023 2.989 1.00 0.00 H ATOM 2312 HE1 TRP A 158 22.686 29.151 6.645 1.00 0.00 H ATOM 2313 HD1 TRP A 158 23.447 27.645 4.665 1.00 0.00 H ATOM 2314 HZ2 TRP A 158 20.233 30.041 7.679 1.00 0.00 H ATOM 2315 HH2 TRP A 158 17.776 29.876 7.298 1.00 0.00 H ATOM 2316 HZ3 TRP A 158 16.900 28.541 5.417 1.00 0.00 H ATOM 2317 HE3 TRP A 158 18.392 27.328 3.876 1.00 0.00 H ATOM 2318 H TRP A 158 20.796 25.267 0.816 1.00 0.00 H TER 2319 TRP A 158 HETATM 2320 MG MG A 1 6.842 16.839 13.212 1.00 23.58 MG HETATM 2321 MG MG A 2 6.409 18.764 10.114 1.00 19.61 MG HETATM 2322 O HOH 3 7.034 4.154 3.923 1.00 17.56 O HETATM 2323 O HOH 4 -1.221 0.741 10.260 1.00 22.01 O HETATM 2324 O HOH 5 12.266 18.585 4.502 1.00 23.66 O HETATM 2325 O HOH 6 6.735 13.377 15.901 1.00 24.02 O HETATM 2326 O HOH 7 17.833 13.882 28.070 1.00 21.92 O HETATM 2327 O HOH 8 9.911 12.988 15.557 1.00 17.72 O HETATM 2328 O HOH 9 5.364 15.387 13.012 1.00 19.16 O HETATM 2329 O HOH 10 8.577 19.338 16.000 1.00 27.27 O HETATM 2330 O HOH 11 20.052 14.263 20.938 1.00 25.60 O HETATM 2331 O HOH 12 3.936 14.524 10.920 1.00 26.01 O HETATM 2332 O HOH 13 10.246 18.032 9.106 1.00 19.91 O HETATM 2333 O HOH 14 19.729 10.451 24.989 1.00 32.27 O HETATM 2334 O HOH 15 2.013 11.904 8.867 1.00 27.04 O HETATM 2335 O HOH 16 25.674 22.414 15.653 1.00 27.24 O HETATM 2336 O HOH 17 0.000 0.000 -0.226 1.00 36.76 O HETATM 2337 O HOH 18 6.800 21.407 14.469 1.00 32.82 O HETATM 2338 O HOH 19 10.543 8.560 -8.606 1.00 24.34 O HETATM 2339 O HOH 20 4.291 3.311 20.581 1.00 32.79 O HETATM 2340 O HOH 21 3.456 -1.756 2.612 1.00 24.58 O HETATM 2341 O HOH 22 -3.205 3.502 4.846 1.00 38.99 O HETATM 2342 O HOH 23 0.161 -4.380 1.265 1.00 37.90 O HETATM 2343 O HOH 24 11.342 3.161 -4.070 1.00 38.20 O HETATM 2344 O HOH 25 14.494 -0.166 2.745 1.00 26.72 O HETATM 2345 O HOH 26 7.539 22.733 12.022 1.00 35.89 O HETATM 2346 O HOH 27 23.962 18.731 3.301 1.00 45.52 O HETATM 2347 O HOH 28 7.974 3.110 -0.718 1.00 32.54 O HETATM 2348 O HOH 29 3.716 10.304 19.151 1.00 32.45 O HETATM 2349 O HOH 30 23.342 28.721 13.412 1.00 38.62 O HETATM 2350 O HOH 31 6.707 25.642 -6.278 1.00 46.76 O HETATM 2351 O HOH 32 0.441 12.709 18.130 1.00 37.04 O HETATM 2352 O HOH 33 8.037 -2.828 11.068 1.00 32.91 O HETATM 2353 O HOH 34 -0.623 5.881 5.876 1.00 33.96 O HETATM 2354 O HOH 35 20.342 26.873 -5.331 1.00 32.28 O HETATM 2355 O HOH 36 3.152 22.473 12.899 1.00 43.47 O HETATM 2356 O HOH 37 6.541 2.831 21.331 1.00 35.52 O HETATM 2357 O HOH 38 -0.935 9.413 13.038 1.00 32.90 O HETATM 2358 O HOH 39 0.450 16.472 -4.909 1.00 39.14 O HETATM 2359 O HOH 40 21.687 7.731 20.893 1.00 54.62 O HETATM 2360 O HOH 41 14.209 26.833 -1.693 1.00 38.83 O HETATM 2361 O HOH 42 3.016 8.962 -9.554 1.00 26.50 O HETATM 2362 O HOH 43 1.149 13.100 1.250 1.00 55.40 O HETATM 2363 O HOH 44 -1.575 1.035 -6.141 1.00 49.01 O HETATM 2364 O HOH 45 -3.577 10.397 15.459 1.00 32.83 O HETATM 2365 O HOH 46 22.589 29.675 10.396 1.00 36.30 O HETATM 2366 O HOH 47 11.428 4.922 -10.237 1.00 29.97 O HETATM 2367 O HOH 48 22.193 12.184 20.666 1.00 32.78 O HETATM 2368 O HOH 49 7.172 19.505 8.355 1.00 21.29 O HETATM 2369 O HOH 50 17.622 17.169 28.196 1.00 36.79 O HETATM 2370 O HOH 51 8.069 15.536 14.168 1.00 18.43 O HETATM 2371 O HOH 52 -3.074 0.494 12.104 1.00 27.98 O HETATM 2372 O HOH 53 12.471 31.907 14.546 1.00 59.76 O HETATM 2373 O HOH 54 12.916 28.102 -5.504 1.00 46.74 O HETATM 2374 O HOH 55 9.686 23.776 11.929 1.00 43.02 O HETATM 2375 O HOH 56 -0.045 8.425 4.383 1.00 36.83 O HETATM 2376 O HOH 57 23.967 16.358 18.479 1.00 37.10 O HETATM 2377 O HOH 58 24.702 4.895 14.928 1.00 36.33 O HETATM 2378 O HOH 59 6.957 16.250 16.992 1.00 26.67 O HETATM 2379 O HOH 60 26.905 8.697 8.234 1.00 48.90 O HETATM 2380 O HOH 61 20.406 13.919 28.603 1.00 47.74 O HETATM 2381 O HOH 62 9.944 19.409 6.844 1.00 32.60 O HETATM 2382 O HOH 63 -5.339 1.502 19.505 1.00 36.66 O HETATM 2383 O HOH 64 0.443 16.816 11.692 1.00 45.69 O HETATM 2384 O HOH 65 1.671 -1.678 0.515 1.00 30.97 O HETATM 2385 O HOH 66 5.301 -1.380 10.707 1.00 43.94 O HETATM 2386 O HOH 67 5.317 15.345 19.312 1.00 40.98 O HETATM 2387 O HOH 68 2.726 6.813 -10.485 1.00 41.99 O HETATM 2388 O HOH 69 -0.533 10.759 1.225 1.00 51.95 O HETATM 2389 O HOH 70 9.208 23.809 -4.666 1.00 38.55 O HETATM 2390 O HOH 71 20.784 9.935 19.267 1.00 33.44 O HETATM 2391 O HOH 72 18.461 31.956 14.874 1.00 40.21 O HETATM 2392 O HOH 73 21.080 18.357 -6.542 1.00 41.98 O HETATM 2393 O HOH 74 19.896 23.065 21.399 1.00 37.01 O HETATM 2394 O HOH 75 -3.252 1.638 6.877 1.00 43.48 O HETATM 2395 O HOH 76 25.608 7.796 10.561 1.00 40.39 O HETATM 2396 O HOH 77 2.251 3.021 17.969 1.00 41.07 O HETATM 2397 O HOH 78 16.726 31.872 7.495 1.00 40.72 O HETATM 2398 O HOH 79 -0.024 21.651 2.949 1.00 54.55 O HETATM 2399 O HOH 80 -0.362 14.069 -5.886 1.00 40.92 O HETATM 2400 O HOH 81 15.989 -2.713 17.117 1.00 41.56 O HETATM 2401 O HOH 82 10.401 34.243 2.853 1.00 37.15 O HETATM 2402 O HOH 83 9.580 21.595 9.606 1.00 33.64 O HETATM 2403 O HOH 84 24.613 0.307 17.264 1.00 47.20 O HETATM 2404 O HOH 85 2.131 -0.050 16.421 1.00 41.09 O HETATM 2405 O HOH 86 2.620 3.278 15.551 1.00 31.87 O HETATM 2406 O HOH 87 25.786 29.836 11.451 1.00 40.75 O HETATM 2407 O HOH 88 20.480 19.462 25.178 1.00 43.66 O HETATM 2408 O HOH 89 26.342 17.570 8.073 1.00 43.31 O HETATM 2409 O HOH 90 21.917 20.414 -7.863 1.00 43.65 O HETATM 2410 O HOH 91 5.557 23.592 -1.889 1.00 36.80 O HETATM 2411 O HOH 92 18.029 24.941 -8.569 1.00 47.72 O HETATM 2412 O HOH 93 -3.011 19.879 3.689 1.00 52.90 O HETATM 2413 O HOH 94 26.088 2.277 4.193 1.00 52.71 O HETATM 2414 O HOH 95 15.968 31.803 14.517 1.00 36.78 O HETATM 2415 O HOH 96 14.765 7.555 22.189 1.00 38.32 O HETATM 2416 O HOH 97 1.124 11.451 20.091 1.00 34.67 O HETATM 2417 O HOH 98 23.789 0.689 11.289 1.00 49.45 O HETATM 2418 O HOH 99 -0.079 4.191 18.242 1.00 39.10 O HETATM 2419 O HOH 100 -2.143 9.082 -1.127 1.00 50.84 O HETATM 2420 O HOH 101 20.001 24.819 23.247 1.00 40.31 O HETATM 2421 O HOH 102 27.110 9.217 2.438 1.00 38.34 O HETATM 2422 O HOH 103 11.767 7.292 -12.131 1.00 38.11 O HETATM 2423 O HOH 104 24.805 5.103 20.095 1.00 49.27 O HETATM 2424 O HOH 105 20.443 7.381 23.009 1.00 74.74 O HETATM 2425 O HOH 106 11.991 3.839 1.892 1.00 37.72 O HETATM 2426 O HOH 107 -2.049 20.021 6.095 1.00 53.07 O HETATM 2427 O HOH 108 16.469 1.818 20.881 1.00 55.35 O HETATM 2428 O HOH 109 17.908 -1.515 3.624 1.00 67.46 O HETATM 2429 O HOH 110 25.035 8.577 -0.287 1.00 53.10 O HETATM 2430 O HOH 111 18.457 7.712 -11.244 1.00 42.02 O HETATM 2431 O HOH 112 -1.295 11.502 16.280 1.00 68.84 O HETATM 2432 O HOH 113 24.571 14.063 19.472 1.00 46.43 O HETATM 2433 O HOH 114 -3.900 -0.876 19.620 1.00 55.32 O HETATM 2434 O HOH 115 10.834 3.030 -0.423 1.00 47.50 O HETATM 2435 O HOH 116 23.599 30.096 15.232 1.00 60.09 O HETATM 2436 O HOH 117 26.381 20.532 7.969 1.00 61.93 O HETATM 2437 O HOH 118 21.129 22.639 -7.832 1.00 56.94 O HETATM 2438 O HOH 119 27.987 6.899 3.544 1.00 62.26 O HETATM 2439 O HOH 120 18.101 -4.599 15.942 1.00 33.97 O HETATM 2440 O HOH 121 21.349 10.578 27.469 1.00 58.05 O HETATM 2441 O HOH 122 20.913 27.157 14.501 1.00 29.58 O HETATM 2442 O HOH 123 13.778 32.730 12.081 1.00 49.49 O HETATM 2443 O HOH 124 27.562 8.921 14.293 1.00 69.04 O HETATM 2444 O HOH 125 8.191 26.023 14.558 1.00 40.83 O HETATM 2445 O HOH 126 16.536 17.674 -5.881 1.00 50.97 O HETATM 2446 O HOH 127 15.771 29.459 8.413 1.00 63.42 O HETATM 2447 O HOH 128 21.869 11.427 23.741 1.00 70.32 O HETATM 2448 O HOH 129 23.245 4.134 23.157 1.00 55.64 O HETATM 2449 O HOH 130 24.962 6.407 22.579 1.00 73.88 O HETATM 2450 O HOH 131 13.584 -2.071 10.516 1.00 63.09 O HETATM 2451 O HOH 132 25.804 31.578 15.775 1.00 78.57 O HETATM 2452 PG APC A 133 3.235 18.353 10.055 1.00 0.20 P HETATM 2453 O1G APC A 133 2.807 16.957 10.316 1.00 -0.59 O HETATM 2454 O2G APC A 133 2.190 19.138 9.291 1.00 -0.59 O HETATM 2455 O3G APC A 133 4.611 18.366 9.416 1.00 -0.59 O HETATM 2456 O3B APC A 133 3.383 19.180 11.433 1.00 -0.18 O HETATM 2457 PB APC A 133 4.438 18.941 12.602 1.00 0.21 P HETATM 2458 O1B APC A 133 5.641 18.342 11.930 1.00 -0.56 O HETATM 2459 O2B APC A 133 4.610 20.203 13.373 1.00 -0.56 O HETATM 2460 C3A APC A 133 3.650 17.742 13.672 1.00 0.14 C HETATM 2461 PA APC A 133 4.480 17.592 15.232 1.00 0.14 P HETATM 2462 O1A APC A 133 5.979 17.607 14.968 1.00 -0.62 O HETATM 2463 O2A APC A 133 4.013 18.547 16.264 1.00 -0.62 O HETATM 2464 O5 APC A 133 4.255 16.099 15.765 1.00 -0.28 O HETATM 2465 C5 APC A 133 2.943 15.713 16.310 1.00 0.11 C HETATM 2466 C4 APC A 133 2.755 14.236 16.138 1.00 0.12 C HETATM 2467 O4 APC A 133 2.802 13.788 14.783 1.00 -0.34 O HETATM 2468 C1 APC A 133 2.796 12.336 14.964 1.00 0.20 C HETATM 2469 C2 APC A 133 3.564 12.051 16.235 1.00 0.14 C HETATM 2470 C3 APC A 133 3.657 13.368 16.932 1.00 0.12 C HETATM 2471 O3 APC A 133 3.261 13.365 18.270 1.00 -0.39 O HETATM 2472 H7 APC A 133 2.372 13.036 18.335 1.00 0.21 H HETATM 2473 H6 APC A 133 4.692 13.737 16.882 1.00 0.06 H HETATM 2474 O2 APC A 133 2.866 11.008 16.978 1.00 -0.38 O HETATM 2475 H9 APC A 133 3.317 10.851 17.799 1.00 0.21 H HETATM 2476 H8 APC A 133 4.577 11.693 16.001 1.00 0.07 H HETATM 2477 N9 APC A 133 3.268 11.823 13.689 1.00 -0.19 N HETATM 2478 C8 APC A 133 2.335 11.165 12.825 1.00 0.11 C HETATM 2479 N7 APC A 133 2.963 10.779 11.726 1.00 -0.30 N HETATM 2480 C5 APC A 133 4.307 11.197 11.898 1.00 0.10 C HETATM 2481 C6 APC A 133 5.380 11.038 11.034 1.00 0.13 C HETATM 2482 N6 APC A 133 5.354 10.459 9.875 1.00 -0.32 N HETATM 2483 H12 APC A 133 6.214 10.395 9.312 1.00 0.18 H HETATM 2484 H13 APC A 133 4.473 10.062 9.517 1.00 0.18 H HETATM 2485 N1 APC A 133 6.629 11.554 11.450 1.00 -0.27 N HETATM 2486 C2 APC A 133 6.729 12.154 12.618 1.00 0.05 C HETATM 2487 N3 APC A 133 5.676 12.368 13.581 1.00 -0.27 N HETATM 2488 C4 APC A 133 4.475 11.833 13.102 1.00 0.16 C HETATM 2489 H14 APC A 133 7.710 12.528 12.885 1.00 0.10 H HETATM 2490 H11 APC A 133 1.279 11.008 13.038 1.00 0.13 H HETATM 2491 H10 APC A 133 1.770 11.969 15.114 1.00 0.10 H HETATM 2492 H5 APC A 133 1.736 14.035 16.500 1.00 0.07 H HETATM 2493 H3 APC A 133 2.148 16.250 15.772 1.00 0.07 H HETATM 2494 H4 APC A 133 2.899 15.968 17.379 1.00 0.07 H HETATM 2495 H1 APC A 133 3.656 16.762 13.172 1.00 0.07 H HETATM 2496 H2 APC A 133 2.611 18.056 13.852 1.00 0.07 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1251 1250 2320 CONECT 1252 1250 2321 CONECT 1282 1281 2320 CONECT 1283 1281 2321 CONECT 2320 1251 1282 CONECT 2321 1252 1283 CONECT 2452 2453 2454 2455 2456 CONECT 2453 2452 CONECT 2454 2452 CONECT 2455 2452 CONECT 2456 2452 2457 CONECT 2457 2456 2458 2459 2460 CONECT 2458 2457 CONECT 2459 2457 CONECT 2460 2457 2461 2495 2496 CONECT 2461 2460 2462 2463 2464 CONECT 2462 2461 CONECT 2463 2461 CONECT 2464 2461 2465 CONECT 2465 2464 2466 2493 2494 CONECT 2466 2465 2467 2470 2492 CONECT 2467 2466 2468 CONECT 2468 2467 2469 2477 2491 CONECT 2469 2468 2470 2474 2476 CONECT 2470 2466 2469 2471 2473 CONECT 2471 2470 2472 CONECT 2472 2471 CONECT 2473 2470 CONECT 2474 2469 2475 CONECT 2475 2474 CONECT 2476 2469 CONECT 2477 2468 2478 2488 CONECT 2478 2477 2479 2490 CONECT 2479 2478 2480 CONECT 2480 2479 2481 2488 CONECT 2481 2480 2482 2485 CONECT 2482 2481 2483 2484 CONECT 2483 2482 CONECT 2484 2482 CONECT 2485 2481 2486 CONECT 2486 2485 2487 2489 CONECT 2487 2486 2488 CONECT 2488 2477 2480 2487 CONECT 2489 2486 CONECT 2490 2478 CONECT 2491 2468 CONECT 2492 2466 CONECT 2493 2465 CONECT 2494 2465 CONECT 2495 2460 CONECT 2496 2460 MASTER 0 0 0 0 0 0 0 0 2494 2 55 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1ru2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ex8
RCSB PDB
PDBbind
158aa, >1EX8_1|Chain... at 100%
1ru1
RCSB PDB
PDBbind
152aa, >1RU1_1|Chains... at 99%
1tmm
RCSB PDB
PDBbind
158aa, >1TMM_1|Chains... at 99%
3ud5
RCSB PDB
PDBbind
158aa, >3UD5_1|Chain... at 100%
3udv
RCSB PDB
PDBbind
158aa, >3UDV_1|Chain... at 100%
4f7v
RCSB PDB
PDBbind
158aa, >4F7V_1|Chain... at 100%
4m5g
RCSB PDB
PDBbind
162aa, >4M5G_1|Chain... *
4m5h
RCSB PDB
PDBbind
162aa, >4M5H_1|Chain... at 100%
4m5i
RCSB PDB
PDBbind
162aa, >4M5I_1|Chain... at 100%
4m5j
RCSB PDB
PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5k
RCSB PDB
PDBbind
162aa, >4M5K_1|Chain... at 100%
4m5l
RCSB PDB
PDBbind
162aa, >4M5L_1|Chain... at 100%
4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
5etk
RCSB PDB
PDBbind
162aa, >5ETK_1|Chain... at 99%
5etl
RCSB PDB
PDBbind
162aa, >5ETL_1|Chains... at 99%
5etm
RCSB PDB
PDBbind
162aa, >5ETM_1|Chain... at 99%
5etn
RCSB PDB
PDBbind
162aa, >5ETN_1|Chain... at 99%
5eto
RCSB PDB
PDBbind
162aa, >5ETO_1|Chain... at 99%
5etp
RCSB PDB
PDBbind
162aa, >5ETP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ru1
RCSB PDB
PDBbind
APC
1s26
RCSB PDB
PDBbind
APC
1tmm
RCSB PDB
PDBbind
APC
3nba
RCSB PDB
PDBbind
APC
Entry Information
PDB ID
1ru2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
6-hydroxymethyl-7,8-dihydropterin pyrophosphoki
Ligand Name
APC
EC.Number
E.C.2.7.6.3
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
Kd=0.32uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v43 pp. 1469-77, 2004
Ligand Properties
Formula
C
1
1
H
2
1
N
5
O
1
2
P
3
Molecular Weight
508.232
Exact Mass
508.040
No. of atoms
52
No. of bonds
54
Polar Surface Area
320.15
LOGP Value
-6.21 (
Computed with XLOGP3
)
-2.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(CP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C11H24N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-25,29-31H,1,4H2,(H2,12,13,14)/t5-,7-,8-,11-/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):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com