Browse entries in the PDBbind-CN Database
HEADER 3UDV_COMPLEX COMPND 3UDV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 82 THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SER SEQRES 2 A 82 PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU GLY SEQRES 3 A 82 ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER PHE SEQRES 4 A 82 TYR ARG THR PRO PRO LEU GLY PRO GLN ASP GLN PRO ASP SEQRES 5 A 82 TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER LEU ALA SEQRES 6 A 82 PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE GLU LEU SEQRES 7 A 82 GLN GLN GLY ARG SEQRES 1 A 72 GLU ARG TRP GLY PRO ARG THR LEU ASP LEU ASP ILE MET SEQRES 2 A 72 LEU PHE GLY ASN GLU VAL ILE ASN THR GLU ARG LEU THR SEQRES 3 A 72 VAL PRO HIS TYR ASP MET LYS ASN ARG GLY PHE MET LEU SEQRES 4 A 72 TRP PRO LEU PHE GLU ILE ALA PRO GLU LEU VAL PHE PRO SEQRES 5 A 72 ASP GLY GLU MET LEU ARG GLN ILE LEU HIS THR ARG ALA SEQRES 6 A 72 PHE ASP LYS LEU ASN LYS TRP HET J A 1C 81 ATOM 1 N THR A 1 15.581 0.395 7.000 1.00 28.12 N ATOM 2 CA THR A 1 14.502 1.163 6.317 1.00 31.71 C ATOM 3 C THR A 1 15.003 2.578 6.094 1.00 28.77 C ATOM 4 O THR A 1 15.713 3.117 6.942 1.00 20.32 O ATOM 5 CB THR A 1 13.192 1.189 7.165 1.00 26.03 C ATOM 6 OG1 THR A 1 12.695 -0.146 7.337 1.00 34.64 O ATOM 7 CG2 THR A 1 12.130 2.007 6.477 1.00 28.05 C ATOM 8 HA THR A 1 14.264 0.682 5.369 1.00 0.00 H ATOM 9 HB THR A 1 13.425 1.633 8.133 1.00 0.00 H ATOM 10 HG1 THR A 1 11.865 -0.121 7.875 1.00 0.00 H ATOM 11 HG23 THR A 1 12.491 3.026 6.338 1.00 0.00 H ATOM 12 HG21 THR A 1 11.904 1.565 5.507 1.00 0.00 H ATOM 13 HG22 THR A 1 11.229 2.020 7.090 1.00 0.00 H ATOM 14 HN3 THR A 1 15.803 0.846 7.911 1.00 0.00 H ATOM 15 HN2 THR A 1 16.431 0.386 6.401 1.00 0.00 H ATOM 16 HN1 THR A 1 15.260 -0.581 7.164 1.00 0.00 H ATOM 17 N VAL A 2 14.683 3.189 4.951 1.00 18.57 N ATOM 18 CA VAL A 2 15.007 4.596 4.757 1.00 13.61 C ATOM 19 C VAL A 2 13.844 5.524 5.048 1.00 21.50 C ATOM 20 O VAL A 2 12.765 5.420 4.423 1.00 20.09 O ATOM 21 CB VAL A 2 15.476 4.909 3.330 1.00 13.75 C ATOM 22 CG1 VAL A 2 15.935 6.360 3.245 1.00 13.84 C ATOM 23 CG2 VAL A 2 16.589 3.979 2.950 1.00 19.73 C ATOM 24 HA VAL A 2 15.813 4.772 5.470 1.00 0.00 H ATOM 25 HB VAL A 2 14.649 4.766 2.634 1.00 0.00 H ATOM 26 HG11 VAL A 2 15.106 7.018 3.505 1.00 0.00 H ATOM 27 HG12 VAL A 2 16.760 6.520 3.940 1.00 0.00 H ATOM 28 HG13 VAL A 2 16.267 6.576 2.229 1.00 0.00 H ATOM 29 HG21 VAL A 2 17.421 4.109 3.642 1.00 0.00 H ATOM 30 HG22 VAL A 2 16.233 2.950 2.997 1.00 0.00 H ATOM 31 HG23 VAL A 2 16.919 4.205 1.936 1.00 0.00 H ATOM 32 H VAL A 2 14.201 2.659 4.197 1.00 0.00 H ATOM 33 N ALA A 3 14.064 6.433 5.995 1.00 13.96 N ATOM 34 CA ALA A 3 13.098 7.498 6.329 1.00 17.64 C ATOM 35 C ALA A 3 13.626 8.761 5.775 1.00 19.21 C ATOM 36 O ALA A 3 14.849 9.025 5.826 1.00 17.28 O ATOM 37 CB ALA A 3 12.947 7.653 7.828 1.00 16.34 C ATOM 38 HA ALA A 3 12.122 7.245 5.914 1.00 0.00 H ATOM 39 HB1 ALA A 3 12.592 6.715 8.255 1.00 0.00 H ATOM 40 HB2 ALA A 3 13.912 7.910 8.264 1.00 0.00 H ATOM 41 HB3 ALA A 3 12.229 8.445 8.040 1.00 0.00 H ATOM 42 H ALA A 3 14.958 6.391 6.524 1.00 0.00 H ATOM 43 N TYR A 4 12.712 9.547 5.236 1.00 8.19 N ATOM 44 CA TYR A 4 12.978 10.897 4.790 1.00 7.58 C ATOM 45 C TYR A 4 12.383 11.888 5.754 1.00 13.27 C ATOM 46 O TYR A 4 11.171 11.838 6.021 1.00 14.61 O ATOM 47 CB TYR A 4 12.421 11.112 3.369 1.00 14.08 C ATOM 48 CG TYR A 4 13.162 10.264 2.342 1.00 11.73 C ATOM 49 CD1 TYR A 4 14.338 10.729 1.761 1.00 14.60 C ATOM 50 CD2 TYR A 4 12.751 8.991 2.044 1.00 11.43 C ATOM 51 CE1 TYR A 4 15.026 9.968 0.860 1.00 19.04 C ATOM 52 CE2 TYR A 4 13.448 8.208 1.127 1.00 26.35 C ATOM 53 CZ TYR A 4 14.593 8.715 0.545 1.00 22.82 C ATOM 54 OH TYR A 4 15.324 7.965 -0.368 1.00 23.41 O ATOM 55 HA TYR A 4 14.056 11.052 4.759 1.00 0.00 H ATOM 56 HB3 TYR A 4 12.527 12.164 3.103 1.00 0.00 H ATOM 57 HB2 TYR A 4 11.366 10.840 3.357 1.00 0.00 H ATOM 58 HD2 TYR A 4 11.865 8.585 2.532 1.00 0.00 H ATOM 59 HE2 TYR A 4 13.095 7.209 0.872 1.00 0.00 H ATOM 60 HE1 TYR A 4 15.926 10.365 0.390 1.00 0.00 H ATOM 61 HD1 TYR A 4 14.716 11.716 2.029 1.00 0.00 H ATOM 62 HH TYR A 4 16.105 8.490 -0.675 1.00 0.00 H ATOM 63 H TYR A 4 11.747 9.175 5.126 1.00 0.00 H ATOM 64 N ILE A 5 13.214 12.828 6.211 1.00 15.61 N ATOM 65 CA ILE A 5 12.824 13.805 7.199 1.00 13.32 C ATOM 66 C ILE A 5 13.018 15.191 6.673 1.00 18.18 C ATOM 67 O ILE A 5 14.057 15.551 6.078 1.00 14.11 O ATOM 68 CB ILE A 5 13.650 13.596 8.565 1.00 15.45 C ATOM 69 CG1 ILE A 5 13.427 12.181 9.092 1.00 20.71 C ATOM 70 CG2 ILE A 5 13.315 14.658 9.578 1.00 17.68 C ATOM 71 CD1 ILE A 5 14.274 11.841 10.300 1.00 30.48 C ATOM 72 HA ILE A 5 11.765 13.666 7.417 1.00 0.00 H ATOM 73 HB ILE A 5 14.715 13.707 8.360 1.00 0.00 H ATOM 74 HG12 ILE A 5 12.377 12.077 9.367 1.00 0.00 H ATOM 75 HG13 ILE A 5 13.664 11.476 8.296 1.00 0.00 H ATOM 76 HD11 ILE A 5 15.329 11.928 10.039 1.00 0.00 H ATOM 77 HD12 ILE A 5 14.041 12.531 11.111 1.00 0.00 H ATOM 78 HD13 ILE A 5 14.060 10.820 10.616 1.00 0.00 H ATOM 79 HG21 ILE A 5 13.562 15.638 9.170 1.00 0.00 H ATOM 80 HG22 ILE A 5 12.250 14.617 9.807 1.00 0.00 H ATOM 81 HG23 ILE A 5 13.891 14.486 10.487 1.00 0.00 H ATOM 82 H ILE A 5 14.185 12.857 5.839 1.00 0.00 H ATOM 83 N ALA A 6 11.987 15.991 6.864 1.00 9.11 N ATOM 84 CA ALA A 6 12.070 17.404 6.574 1.00 8.41 C ATOM 85 C ALA A 6 12.489 18.194 7.801 1.00 17.11 C ATOM 86 O ALA A 6 11.992 17.944 8.911 1.00 16.06 O ATOM 87 CB ALA A 6 10.741 17.913 6.034 1.00 14.71 C ATOM 88 HA ALA A 6 12.834 17.548 5.810 1.00 0.00 H ATOM 89 HB1 ALA A 6 10.493 17.376 5.119 1.00 0.00 H ATOM 90 HB2 ALA A 6 9.961 17.747 6.777 1.00 0.00 H ATOM 91 HB3 ALA A 6 10.821 18.979 5.821 1.00 0.00 H ATOM 92 H ALA A 6 11.097 15.597 7.230 1.00 0.00 H ATOM 93 N ILE A 7 13.360 19.178 7.571 1.00 18.11 N ATOM 94 CA ILE A 7 13.832 20.080 8.598 1.00 17.49 C ATOM 95 C ILE A 7 13.522 21.510 8.220 1.00 19.21 C ATOM 96 O ILE A 7 13.734 21.930 7.075 1.00 16.79 O ATOM 97 CB ILE A 7 15.369 19.952 8.784 1.00 11.83 C ATOM 98 CG1 ILE A 7 15.798 18.490 8.891 1.00 22.94 C ATOM 99 CG2 ILE A 7 15.836 20.789 9.967 1.00 21.94 C ATOM 100 CD1 ILE A 7 17.323 18.358 8.825 1.00 28.99 C ATOM 101 HA ILE A 7 13.326 19.815 9.526 1.00 0.00 H ATOM 102 HB ILE A 7 15.860 20.349 7.895 1.00 0.00 H ATOM 103 HG12 ILE A 7 15.446 18.083 9.839 1.00 0.00 H ATOM 104 HG13 ILE A 7 15.355 17.927 8.069 1.00 0.00 H ATOM 105 HD11 ILE A 7 17.680 18.759 7.877 1.00 0.00 H ATOM 106 HD12 ILE A 7 17.771 18.915 9.648 1.00 0.00 H ATOM 107 HD13 ILE A 7 17.599 17.306 8.904 1.00 0.00 H ATOM 108 HG21 ILE A 7 15.586 21.835 9.791 1.00 0.00 H ATOM 109 HG22 ILE A 7 15.340 20.443 10.874 1.00 0.00 H ATOM 110 HG23 ILE A 7 16.915 20.686 10.080 1.00 0.00 H ATOM 111 H ILE A 7 13.718 19.303 6.603 1.00 0.00 H ATOM 112 N GLY A 8 12.977 22.278 9.160 1.00 11.02 N ATOM 113 CA GLY A 8 12.802 23.705 8.965 1.00 12.10 C ATOM 114 C GLY A 8 13.081 24.526 10.200 1.00 20.64 C ATOM 115 O GLY A 8 12.872 24.071 11.312 1.00 15.25 O ATOM 116 HA3 GLY A 8 11.772 23.887 8.656 1.00 0.00 H ATOM 117 HA2 GLY A 8 13.479 24.030 8.175 1.00 0.00 H ATOM 118 H GLY A 8 12.670 21.846 10.055 1.00 0.00 H ATOM 119 N SER A 9 13.526 25.756 10.000 1.00 15.87 N ATOM 120 CA SER A 9 13.774 26.660 11.097 1.00 16.12 C ATOM 121 C SER A 9 13.668 28.037 10.554 1.00 18.20 C ATOM 122 O SER A 9 14.024 28.297 9.402 1.00 25.90 O ATOM 123 CB SER A 9 15.173 26.428 11.722 1.00 19.03 C ATOM 124 OG SER A 9 15.585 27.563 12.474 1.00 25.98 O ATOM 125 HA SER A 9 13.048 26.493 11.893 1.00 0.00 H ATOM 126 HB2 SER A 9 15.895 26.245 10.926 1.00 0.00 H ATOM 127 HB3 SER A 9 15.132 25.559 12.379 1.00 0.00 H ATOM 128 HG SER A 9 14.934 27.730 13.201 1.00 0.00 H ATOM 129 H SER A 9 13.701 26.079 9.027 1.00 0.00 H ATOM 130 N ASN A 10 13.103 28.947 11.323 1.00 20.83 N ATOM 131 CA ASN A 10 13.207 30.318 10.888 1.00 19.54 C ATOM 132 C ASN A 10 13.760 31.282 11.917 1.00 31.20 C ATOM 133 O ASN A 10 13.334 32.431 12.008 1.00 32.50 O ATOM 134 CB ASN A 10 11.891 30.807 10.302 1.00 43.83 C ATOM 135 CG ASN A 10 10.907 31.183 11.352 1.00 34.91 C ATOM 136 OD1 ASN A 10 10.803 30.518 12.385 1.00 41.35 O ATOM 137 ND2 ASN A 10 10.182 32.274 11.110 1.00 44.92 N ATOM 138 HA ASN A 10 13.962 30.308 10.102 1.00 0.00 H ATOM 139 HB2 ASN A 10 12.088 31.679 9.678 1.00 0.00 H ATOM 140 HB3 ASN A 10 11.464 30.013 9.690 1.00 0.00 H ATOM 141 HD22 ASN A 10 10.311 32.797 10.221 1.00 0.00 H ATOM 142 HD21 ASN A 10 9.487 32.602 11.810 1.00 0.00 H ATOM 143 H ASN A 10 12.607 28.689 12.200 1.00 0.00 H ATOM 144 N LEU A 11 14.747 30.826 12.670 1.00 29.94 N ATOM 145 CA LEU A 11 15.583 31.772 13.398 1.00 38.20 C ATOM 146 C LEU A 11 16.184 32.717 12.350 1.00 41.88 C ATOM 147 O LEU A 11 16.396 32.317 11.193 1.00 33.75 O ATOM 148 CB LEU A 11 16.690 31.039 14.151 1.00 43.44 C ATOM 149 CG LEU A 11 16.208 29.881 15.023 1.00 26.94 C ATOM 150 CD1 LEU A 11 17.392 29.112 15.641 1.00 26.36 C ATOM 151 CD2 LEU A 11 15.290 30.424 16.089 1.00 40.47 C ATOM 152 HA LEU A 11 15.001 32.322 14.137 1.00 0.00 H ATOM 153 HB2 LEU A 11 17.395 30.644 13.419 1.00 0.00 H ATOM 154 HB3 LEU A 11 17.199 31.758 14.792 1.00 0.00 H ATOM 155 HG LEU A 11 15.661 29.169 14.405 1.00 0.00 H ATOM 156 HD21 LEU A 11 15.832 31.146 16.700 1.00 0.00 H ATOM 157 HD22 LEU A 11 14.437 30.912 15.618 1.00 0.00 H ATOM 158 HD23 LEU A 11 14.940 29.605 16.717 1.00 0.00 H ATOM 159 HD11 LEU A 11 18.017 28.709 14.844 1.00 0.00 H ATOM 160 HD12 LEU A 11 17.981 29.790 16.259 1.00 0.00 H ATOM 161 HD13 LEU A 11 17.012 28.295 16.255 1.00 0.00 H ATOM 162 H LEU A 11 14.925 29.804 12.742 1.00 0.00 H ATOM 163 N ALA A 12 16.445 33.963 12.733 1.00 45.61 N ATOM 164 CA ALA A 12 17.082 34.912 11.821 1.00 43.43 C ATOM 165 C ALA A 12 18.421 34.355 11.283 1.00 50.17 C ATOM 166 O ALA A 12 18.791 34.606 10.127 1.00 47.04 O ATOM 167 CB ALA A 12 17.278 36.256 12.509 1.00 53.62 C ATOM 168 HA ALA A 12 16.424 35.061 10.965 1.00 0.00 H ATOM 169 HB1 ALA A 12 16.309 36.651 12.815 1.00 0.00 H ATOM 170 HB2 ALA A 12 17.911 36.125 13.386 1.00 0.00 H ATOM 171 HB3 ALA A 12 17.753 36.951 11.817 1.00 0.00 H ATOM 172 H ALA A 12 16.193 34.267 13.695 1.00 0.00 H ATOM 173 N SER A 13 19.136 33.596 12.117 1.00 38.37 N ATOM 174 CA SER A 13 20.315 32.837 11.667 1.00 42.39 C ATOM 175 C SER A 13 20.217 31.373 12.132 1.00 33.44 C ATOM 176 O SER A 13 20.557 31.043 13.278 1.00 37.66 O ATOM 177 CB SER A 13 21.604 33.492 12.166 1.00 39.83 C ATOM 178 OG SER A 13 21.439 33.960 13.490 1.00 57.17 O ATOM 179 HA SER A 13 20.340 32.846 10.577 1.00 0.00 H ATOM 180 HB2 SER A 13 21.855 34.331 11.517 1.00 0.00 H ATOM 181 HB3 SER A 13 22.412 32.760 12.141 1.00 0.00 H ATOM 182 HG SER A 13 21.213 33.199 14.082 1.00 0.00 H ATOM 183 H SER A 13 18.851 33.539 13.116 1.00 0.00 H ATOM 184 N PRO A 14 19.727 30.491 11.250 1.00 24.52 N ATOM 185 CA PRO A 14 19.352 29.128 11.626 1.00 14.01 C ATOM 186 C PRO A 14 20.397 28.066 11.373 1.00 18.11 C ATOM 187 O PRO A 14 20.136 26.901 11.675 1.00 17.53 O ATOM 188 CB PRO A 14 18.155 28.838 10.710 1.00 15.28 C ATOM 189 CG PRO A 14 18.272 29.788 9.569 1.00 37.89 C ATOM 190 CD PRO A 14 19.354 30.779 9.850 1.00 27.57 C ATOM 191 HA PRO A 14 19.175 29.086 12.701 1.00 0.00 H ATOM 192 HD3 PRO A 14 20.202 30.631 9.182 1.00 0.00 H ATOM 193 HD2 PRO A 14 18.985 31.799 9.746 1.00 0.00 H ATOM 194 HG3 PRO A 14 17.326 30.312 9.435 1.00 0.00 H ATOM 195 HG2 PRO A 14 18.512 29.236 8.660 1.00 0.00 H ATOM 196 HB2 PRO A 14 18.192 27.809 10.352 1.00 0.00 H ATOM 197 HB3 PRO A 14 17.220 29.002 11.245 1.00 0.00 H ATOM 198 N LEU A 15 21.555 28.420 10.814 1.00 27.13 N ATOM 199 CA LEU A 15 22.533 27.391 10.467 1.00 22.31 C ATOM 200 C LEU A 15 23.050 26.556 11.643 1.00 22.07 C ATOM 201 O LEU A 15 23.172 25.335 11.522 1.00 20.37 O ATOM 202 CB LEU A 15 23.712 28.005 9.717 1.00 30.25 C ATOM 203 CG LEU A 15 23.526 28.303 8.231 1.00 31.09 C ATOM 204 CD1 LEU A 15 24.783 29.014 7.708 1.00 29.31 C ATOM 205 CD2 LEU A 15 23.255 27.031 7.459 1.00 18.90 C ATOM 206 HA LEU A 15 21.987 26.695 9.830 1.00 0.00 H ATOM 207 HB2 LEU A 15 23.959 28.945 10.210 1.00 0.00 H ATOM 208 HB3 LEU A 15 24.552 27.316 9.809 1.00 0.00 H ATOM 209 HG LEU A 15 22.662 28.954 8.092 1.00 0.00 H ATOM 210 HD21 LEU A 15 24.096 26.348 7.579 1.00 0.00 H ATOM 211 HD22 LEU A 15 22.348 26.562 7.841 1.00 0.00 H ATOM 212 HD23 LEU A 15 23.126 27.269 6.403 1.00 0.00 H ATOM 213 HD11 LEU A 15 24.927 29.945 8.257 1.00 0.00 H ATOM 214 HD12 LEU A 15 25.650 28.369 7.850 1.00 0.00 H ATOM 215 HD13 LEU A 15 24.661 29.232 6.647 1.00 0.00 H ATOM 216 H LEU A 15 21.761 29.422 10.626 1.00 0.00 H ATOM 217 N GLU A 16 23.377 27.197 12.766 1.00 19.31 N ATOM 218 CA GLU A 16 23.884 26.469 13.945 1.00 23.97 C ATOM 219 C GLU A 16 22.824 25.483 14.447 1.00 19.36 C ATOM 220 O GLU A 16 23.119 24.308 14.736 1.00 20.03 O ATOM 221 CB GLU A 16 24.303 27.447 15.059 1.00 32.89 C ATOM 222 CG GLU A 16 25.666 28.136 14.842 1.00 40.42 C ATOM 223 CD GLU A 16 26.260 28.749 16.139 1.00 61.27 C ATOM 224 OE1 GLU A 16 25.648 28.626 17.230 1.00 59.29 O ATOM 225 OE2 GLU A 16 27.352 29.360 16.069 1.00 64.80 O ATOM 226 HA GLU A 16 24.770 25.906 13.653 1.00 0.00 H ATOM 227 HB2 GLU A 16 23.540 28.222 15.134 1.00 0.00 H ATOM 228 HB3 GLU A 16 24.349 26.893 15.996 1.00 0.00 H ATOM 229 HG2 GLU A 16 26.369 27.398 14.455 1.00 0.00 H ATOM 230 HG3 GLU A 16 25.538 28.933 14.110 1.00 0.00 H ATOM 231 H GLU A 16 23.273 28.231 12.812 1.00 0.00 H ATOM 232 N GLN A 17 21.581 25.974 14.482 1.00 22.48 N ATOM 233 CA GLN A 17 20.409 25.189 14.866 1.00 27.78 C ATOM 234 C GLN A 17 20.175 23.985 13.962 1.00 14.47 C ATOM 235 O GLN A 17 19.974 22.859 14.431 1.00 16.23 O ATOM 236 CB GLN A 17 19.171 26.087 14.832 1.00 22.76 C ATOM 237 CG GLN A 17 17.913 25.379 15.319 1.00 25.05 C ATOM 238 CD GLN A 17 18.051 24.934 16.759 1.00 37.90 C ATOM 239 OE1 GLN A 17 18.472 23.807 17.038 1.00 45.53 O ATOM 240 NE2 GLN A 17 17.729 25.826 17.685 1.00 49.77 N ATOM 241 HA GLN A 17 20.593 24.807 15.870 1.00 0.00 H ATOM 242 HB2 GLN A 17 19.352 26.953 15.468 1.00 0.00 H ATOM 243 HB3 GLN A 17 19.009 26.418 13.806 1.00 0.00 H ATOM 244 HG2 GLN A 17 17.068 26.062 15.238 1.00 0.00 H ATOM 245 HG3 GLN A 17 17.733 24.505 14.693 1.00 0.00 H ATOM 246 HE22 GLN A 17 17.378 26.764 17.404 1.00 0.00 H ATOM 247 HE21 GLN A 17 17.827 25.588 18.693 1.00 0.00 H ATOM 248 H GLN A 17 21.440 26.971 14.221 1.00 0.00 H ATOM 249 N VAL A 18 20.223 24.200 12.649 1.00 17.84 N ATOM 250 CA VAL A 18 20.062 23.075 11.735 1.00 13.73 C ATOM 251 C VAL A 18 21.200 22.068 11.838 1.00 10.46 C ATOM 252 O VAL A 18 20.991 20.842 11.758 1.00 15.84 O ATOM 253 CB VAL A 18 19.875 23.588 10.280 1.00 26.69 C ATOM 254 CG1 VAL A 18 19.829 22.433 9.317 1.00 18.76 C ATOM 255 CG2 VAL A 18 18.598 24.404 10.189 1.00 21.42 C ATOM 256 HA VAL A 18 19.161 22.537 12.031 1.00 0.00 H ATOM 257 HB VAL A 18 20.722 24.220 10.014 1.00 0.00 H ATOM 258 HG11 VAL A 18 20.762 21.873 9.379 1.00 0.00 H ATOM 259 HG12 VAL A 18 18.994 21.781 9.574 1.00 0.00 H ATOM 260 HG13 VAL A 18 19.698 22.812 8.303 1.00 0.00 H ATOM 261 HG21 VAL A 18 17.749 23.779 10.466 1.00 0.00 H ATOM 262 HG22 VAL A 18 18.662 25.254 10.868 1.00 0.00 H ATOM 263 HG23 VAL A 18 18.469 24.762 9.168 1.00 0.00 H ATOM 264 H VAL A 18 20.374 25.160 12.279 1.00 0.00 H ATOM 265 N ASN A 19 22.433 22.546 12.013 1.00 21.57 N ATOM 266 CA ASN A 19 23.546 21.618 12.132 1.00 19.37 C ATOM 267 C ASN A 19 23.452 20.824 13.443 1.00 11.31 C ATOM 268 O ASN A 19 23.700 19.624 13.467 1.00 17.00 O ATOM 269 CB ASN A 19 24.882 22.352 11.984 1.00 22.79 C ATOM 270 CG ASN A 19 25.266 22.560 10.519 1.00 17.13 C ATOM 271 OD1 ASN A 19 25.508 21.595 9.791 1.00 32.01 O ATOM 272 ND2 ASN A 19 25.305 23.812 10.085 1.00 20.81 N ATOM 273 HA ASN A 19 23.491 20.895 11.318 1.00 0.00 H ATOM 274 HB2 ASN A 19 24.804 23.325 12.469 1.00 0.00 H ATOM 275 HB3 ASN A 19 25.661 21.766 12.472 1.00 0.00 H ATOM 276 HD22 ASN A 19 25.093 24.595 10.736 1.00 0.00 H ATOM 277 HD21 ASN A 19 25.547 24.011 9.093 1.00 0.00 H ATOM 278 H ASN A 19 22.597 23.572 12.064 1.00 0.00 H ATOM 279 N ALA A 20 23.050 21.493 14.516 1.00 17.83 N ATOM 280 CA ALA A 20 22.764 20.779 15.772 1.00 17.88 C ATOM 281 C ALA A 20 21.716 19.671 15.599 1.00 14.47 C ATOM 282 O ALA A 20 21.920 18.513 16.031 1.00 16.03 O ATOM 283 CB ALA A 20 22.331 21.780 16.842 1.00 27.34 C ATOM 284 HA ALA A 20 23.682 20.282 16.087 1.00 0.00 H ATOM 285 HB1 ALA A 20 23.131 22.501 17.008 1.00 0.00 H ATOM 286 HB2 ALA A 20 21.434 22.301 16.508 1.00 0.00 H ATOM 287 HB3 ALA A 20 22.120 21.249 17.770 1.00 0.00 H ATOM 288 H ALA A 20 22.936 22.526 14.470 1.00 0.00 H ATOM 289 N ALA A 21 20.612 19.984 14.912 1.00 17.79 N ATOM 290 CA ALA A 21 19.558 18.974 14.671 1.00 13.12 C ATOM 291 C ALA A 21 20.055 17.847 13.840 1.00 12.14 C ATOM 292 O ALA A 21 19.798 16.682 14.124 1.00 15.63 O ATOM 293 CB ALA A 21 18.384 19.614 13.996 1.00 22.20 C ATOM 294 HA ALA A 21 19.257 18.572 15.639 1.00 0.00 H ATOM 295 HB1 ALA A 21 17.987 20.404 14.633 1.00 0.00 H ATOM 296 HB2 ALA A 21 18.701 20.038 13.043 1.00 0.00 H ATOM 297 HB3 ALA A 21 17.613 18.864 13.822 1.00 0.00 H ATOM 298 H ALA A 21 20.493 20.949 14.543 1.00 0.00 H ATOM 299 N LEU A 22 20.814 18.183 12.790 1.00 21.02 N ATOM 300 CA LEU A 22 21.425 17.164 11.940 1.00 18.85 C ATOM 301 C LEU A 22 22.382 16.263 12.724 1.00 14.14 C ATOM 302 O LEU A 22 22.334 15.044 12.579 1.00 16.47 O ATOM 303 CB LEU A 22 22.163 17.823 10.770 1.00 14.68 C ATOM 304 CG LEU A 22 21.277 18.311 9.642 1.00 22.28 C ATOM 305 CD1 LEU A 22 22.119 19.095 8.607 1.00 29.50 C ATOM 306 CD2 LEU A 22 20.586 17.102 9.023 1.00 23.61 C ATOM 307 HA LEU A 22 20.622 16.536 11.555 1.00 0.00 H ATOM 308 HB2 LEU A 22 22.717 18.678 11.159 1.00 0.00 H ATOM 309 HB3 LEU A 22 22.863 17.095 10.359 1.00 0.00 H ATOM 310 HG LEU A 22 20.516 18.997 10.014 1.00 0.00 H ATOM 311 HD21 LEU A 22 21.338 16.413 8.639 1.00 0.00 H ATOM 312 HD22 LEU A 22 19.986 16.600 9.782 1.00 0.00 H ATOM 313 HD23 LEU A 22 19.942 17.431 8.207 1.00 0.00 H ATOM 314 HD11 LEU A 22 22.585 19.952 9.094 1.00 0.00 H ATOM 315 HD12 LEU A 22 22.891 18.443 8.200 1.00 0.00 H ATOM 316 HD13 LEU A 22 21.472 19.441 7.801 1.00 0.00 H ATOM 317 H LEU A 22 20.972 19.188 12.575 1.00 0.00 H ATOM 318 N LYS A 23 23.225 16.849 13.578 1.00 16.33 N ATOM 319 CA LYS A 23 24.072 16.013 14.416 1.00 15.94 C ATOM 320 C LYS A 23 23.237 15.137 15.333 1.00 11.74 C ATOM 321 O LYS A 23 23.508 13.963 15.472 1.00 14.60 O ATOM 322 CB LYS A 23 25.090 16.815 15.240 1.00 23.67 C ATOM 323 CG LYS A 23 26.203 15.910 15.747 1.00 35.53 C ATOM 324 CD LYS A 23 27.110 16.605 16.736 1.00 44.54 C ATOM 325 CE LYS A 23 28.168 15.636 17.274 1.00 46.05 C ATOM 326 NZ LYS A 23 27.569 14.460 17.994 1.00 48.68 N ATOM 327 HA LYS A 23 24.640 15.383 13.732 1.00 0.00 H ATOM 328 HB2 LYS A 23 25.521 17.597 14.614 1.00 0.00 H ATOM 329 HB3 LYS A 23 24.583 17.270 16.091 1.00 0.00 H ATOM 330 HG2 LYS A 23 25.755 15.043 16.233 1.00 0.00 H ATOM 331 HG3 LYS A 23 26.800 15.580 14.897 1.00 0.00 H ATOM 332 HD2 LYS A 23 27.607 17.439 16.241 1.00 0.00 H ATOM 333 HD3 LYS A 23 26.513 16.981 17.567 1.00 0.00 H ATOM 334 HE2 LYS A 23 28.815 16.175 17.966 1.00 0.00 H ATOM 335 HE3 LYS A 23 28.761 15.267 16.437 1.00 0.00 H ATOM 336 HZ1 LYS A 23 27.008 14.799 18.801 1.00 0.00 H ATOM 337 HZ2 LYS A 23 26.956 13.931 17.341 1.00 0.00 H ATOM 338 HZ3 LYS A 23 28.331 13.840 18.335 1.00 0.00 H ATOM 339 H LYS A 23 23.275 17.886 13.643 1.00 0.00 H ATOM 340 N ALA A 24 22.195 15.708 15.928 1.00 18.89 N ATOM 341 CA ALA A 24 21.297 14.914 16.775 1.00 21.75 C ATOM 342 C ALA A 24 20.620 13.763 16.017 1.00 13.01 C ATOM 343 O ALA A 24 20.535 12.641 16.509 1.00 17.00 O ATOM 344 CB ALA A 24 20.278 15.819 17.394 1.00 19.68 C ATOM 345 HA ALA A 24 21.900 14.445 17.553 1.00 0.00 H ATOM 346 HB1 ALA A 24 20.783 16.572 17.999 1.00 0.00 H ATOM 347 HB2 ALA A 24 19.703 16.308 16.608 1.00 0.00 H ATOM 348 HB3 ALA A 24 19.609 15.233 18.024 1.00 0.00 H ATOM 349 H ALA A 24 22.015 16.723 15.793 1.00 0.00 H ATOM 350 N LEU A 25 20.184 13.991 14.777 1.00 17.89 N ATOM 351 CA LEU A 25 19.575 12.895 13.998 1.00 14.67 C ATOM 352 C LEU A 25 20.550 11.783 13.729 1.00 14.87 C ATOM 353 O LEU A 25 20.186 10.605 13.724 1.00 15.68 O ATOM 354 CB LEU A 25 19.019 13.405 12.642 1.00 16.20 C ATOM 355 CG LEU A 25 17.791 14.306 12.636 1.00 21.52 C ATOM 356 CD1 LEU A 25 17.496 14.840 11.206 1.00 19.74 C ATOM 357 CD2 LEU A 25 16.619 13.470 13.155 1.00 16.24 C ATOM 358 HA LEU A 25 18.758 12.510 14.608 1.00 0.00 H ATOM 359 HB2 LEU A 25 19.823 13.958 12.155 1.00 0.00 H ATOM 360 HB3 LEU A 25 18.772 12.526 12.047 1.00 0.00 H ATOM 361 HG LEU A 25 17.955 15.178 13.269 1.00 0.00 H ATOM 362 HD21 LEU A 25 16.470 12.611 12.501 1.00 0.00 H ATOM 363 HD22 LEU A 25 16.839 13.126 14.165 1.00 0.00 H ATOM 364 HD23 LEU A 25 15.716 14.080 13.167 1.00 0.00 H ATOM 365 HD11 LEU A 25 18.352 15.413 10.850 1.00 0.00 H ATOM 366 HD12 LEU A 25 17.316 14.000 10.536 1.00 0.00 H ATOM 367 HD13 LEU A 25 16.614 15.480 11.233 1.00 0.00 H ATOM 368 H LEU A 25 20.273 14.939 14.360 1.00 0.00 H ATOM 369 N GLY A 26 21.810 12.145 13.497 1.00 19.74 N ATOM 370 CA GLY A 26 22.828 11.143 13.207 1.00 18.41 C ATOM 371 C GLY A 26 23.171 10.297 14.412 1.00 18.20 C ATOM 372 O GLY A 26 23.632 9.159 14.282 1.00 28.30 O ATOM 373 HA3 GLY A 26 23.731 11.650 12.868 1.00 0.00 H ATOM 374 HA2 GLY A 26 22.460 10.490 12.415 1.00 0.00 H ATOM 375 H GLY A 26 22.070 13.152 13.523 1.00 0.00 H ATOM 376 N ASP A 27 22.933 10.877 15.585 1.00 25.41 N ATOM 377 CA ASP A 27 23.247 10.265 16.889 1.00 24.33 C ATOM 378 C ASP A 27 22.101 9.400 17.399 1.00 31.48 C ATOM 379 O ASP A 27 22.255 8.672 18.373 1.00 37.85 O ATOM 380 CB ASP A 27 23.514 11.371 17.916 1.00 29.46 C ATOM 381 CG ASP A 27 24.945 11.900 17.862 1.00 47.72 C ATOM 382 OD1 ASP A 27 25.798 11.246 17.222 1.00 48.25 O ATOM 383 OD2 ASP A 27 25.204 12.967 18.468 1.00 39.11 O ATOM 384 HA ASP A 27 24.125 9.633 16.755 1.00 0.00 H ATOM 385 HB2 ASP A 27 22.830 12.197 17.723 1.00 0.00 H ATOM 386 HB3 ASP A 27 23.328 10.972 18.913 1.00 0.00 H ATOM 387 H ASP A 27 22.498 11.822 15.582 1.00 0.00 H ATOM 388 N ILE A 28 20.946 9.476 16.739 1.00 28.97 N ATOM 389 CA ILE A 28 19.851 8.572 17.039 1.00 16.70 C ATOM 390 C ILE A 28 20.286 7.118 16.979 1.00 29.70 C ATOM 391 O ILE A 28 20.933 6.689 16.028 1.00 23.39 O ATOM 392 CB ILE A 28 18.630 8.815 16.079 1.00 14.94 C ATOM 393 CG1 ILE A 28 18.127 10.241 16.258 1.00 15.18 C ATOM 394 CG2 ILE A 28 17.567 7.814 16.315 1.00 22.61 C ATOM 395 CD1 ILE A 28 16.868 10.563 15.420 1.00 20.02 C ATOM 396 HA ILE A 28 19.536 8.786 18.060 1.00 0.00 H ATOM 397 HB ILE A 28 18.948 8.692 15.044 1.00 0.00 H ATOM 398 HG12 ILE A 28 17.889 10.393 17.311 1.00 0.00 H ATOM 399 HG13 ILE A 28 18.922 10.927 15.964 1.00 0.00 H ATOM 400 HD11 ILE A 28 17.093 10.427 14.362 1.00 0.00 H ATOM 401 HD12 ILE A 28 16.059 9.893 15.710 1.00 0.00 H ATOM 402 HD13 ILE A 28 16.568 11.596 15.599 1.00 0.00 H ATOM 403 HG21 ILE A 28 17.964 6.815 16.133 1.00 0.00 H ATOM 404 HG22 ILE A 28 17.223 7.888 17.347 1.00 0.00 H ATOM 405 HG23 ILE A 28 16.734 8.004 15.638 1.00 0.00 H ATOM 406 H ILE A 28 20.827 10.195 15.997 1.00 0.00 H ATOM 407 N PRO A 29 19.906 6.331 17.992 1.00 21.19 N ATOM 408 CA PRO A 29 20.271 4.910 18.023 1.00 21.15 C ATOM 409 C PRO A 29 19.837 4.080 16.796 1.00 29.95 C ATOM 410 O PRO A 29 18.734 4.261 16.263 1.00 21.96 O ATOM 411 CB PRO A 29 19.540 4.392 19.270 1.00 26.09 C ATOM 412 CG PRO A 29 19.213 5.597 20.062 1.00 29.47 C ATOM 413 CD PRO A 29 19.059 6.716 19.137 1.00 25.16 C ATOM 414 HA PRO A 29 21.356 4.809 18.027 1.00 0.00 H ATOM 415 HD3 PRO A 29 18.019 6.830 18.832 1.00 0.00 H ATOM 416 HD2 PRO A 29 19.409 7.645 19.587 1.00 0.00 H ATOM 417 HG3 PRO A 29 20.018 5.807 20.766 1.00 0.00 H ATOM 418 HG2 PRO A 29 18.284 5.439 20.610 1.00 0.00 H ATOM 419 HB2 PRO A 29 18.630 3.863 18.987 1.00 0.00 H ATOM 420 HB3 PRO A 29 20.185 3.724 19.840 1.00 0.00 H ATOM 421 N GLU A 30 20.697 3.144 16.386 1.00 21.73 N ATOM 422 CA GLU A 30 20.392 2.237 15.273 1.00 30.89 C ATOM 423 C GLU A 30 20.054 2.993 13.987 1.00 19.77 C ATOM 424 O GLU A 30 19.276 2.489 13.168 1.00 25.24 O ATOM 425 CB GLU A 30 19.204 1.352 15.626 1.00 26.10 C ATOM 426 CG GLU A 30 19.551 0.144 16.476 1.00 42.82 C ATOM 427 CD GLU A 30 18.312 -0.540 17.013 1.00 51.59 C ATOM 428 OE1 GLU A 30 17.619 0.063 17.869 1.00 43.04 O ATOM 429 OE2 GLU A 30 18.024 -1.674 16.567 1.00 56.91 O ATOM 430 HA GLU A 30 21.287 1.638 15.105 1.00 0.00 H ATOM 431 HB2 GLU A 30 18.479 1.956 16.172 1.00 0.00 H ATOM 432 HB3 GLU A 30 18.755 0.998 14.698 1.00 0.00 H ATOM 433 HG2 GLU A 30 20.111 -0.566 15.868 1.00 0.00 H ATOM 434 HG3 GLU A 30 20.167 0.468 17.315 1.00 0.00 H ATOM 435 H GLU A 30 21.613 3.055 16.871 1.00 0.00 H ATOM 436 N SER A 31 20.610 4.195 13.833 1.00 23.83 N ATOM 437 CA SER A 31 20.308 5.041 12.666 1.00 29.57 C ATOM 438 C SER A 31 21.520 5.797 12.179 1.00 36.76 C ATOM 439 O SER A 31 22.391 6.123 12.972 1.00 24.27 O ATOM 440 CB SER A 31 19.251 6.083 13.032 1.00 20.76 C ATOM 441 OG SER A 31 18.162 5.491 13.758 1.00 20.20 O ATOM 442 HA SER A 31 19.958 4.369 11.882 1.00 0.00 H ATOM 443 HB2 SER A 31 18.865 6.534 12.118 1.00 0.00 H ATOM 444 HB3 SER A 31 19.712 6.854 13.649 1.00 0.00 H ATOM 445 HG SER A 31 18.506 5.084 14.593 1.00 0.00 H ATOM 446 H SER A 31 21.273 4.544 14.554 1.00 0.00 H ATOM 447 N HIS A 32 21.553 6.143 10.892 1.00 18.41 N ATOM 448 CA HIS A 32 22.580 7.067 10.393 1.00 22.32 C ATOM 449 C HIS A 32 22.130 7.843 9.152 1.00 19.65 C ATOM 450 O HIS A 32 21.335 7.359 8.392 1.00 18.32 O ATOM 451 CB HIS A 32 23.905 6.321 10.113 1.00 27.24 C ATOM 452 CG HIS A 32 23.825 5.276 9.034 1.00 23.69 C ATOM 453 ND1 HIS A 32 23.395 3.992 9.269 1.00 31.33 N ATOM 454 CD2 HIS A 32 24.181 5.318 7.725 1.00 26.71 C ATOM 455 CE1 HIS A 32 23.460 3.290 8.152 1.00 26.45 C ATOM 456 NE2 HIS A 32 23.927 4.074 7.199 1.00 38.11 N ATOM 457 HA HIS A 32 22.745 7.800 11.183 1.00 0.00 H ATOM 458 HB2 HIS A 32 24.653 7.057 9.818 1.00 0.00 H ATOM 459 HB3 HIS A 32 24.221 5.833 11.035 1.00 0.00 H ATOM 460 HD2 HIS A 32 24.591 6.176 7.192 1.00 0.00 H ATOM 461 HE1 HIS A 32 23.177 2.244 8.037 1.00 0.00 H ATOM 462 H HIS A 32 20.846 5.755 10.236 1.00 0.00 H ATOM 463 N ILE A 33 22.636 9.051 8.971 1.00 18.04 N ATOM 464 CA ILE A 33 22.323 9.828 7.783 1.00 18.91 C ATOM 465 C ILE A 33 22.963 9.245 6.504 1.00 36.15 C ATOM 466 O ILE A 33 24.170 8.996 6.443 1.00 23.07 O ATOM 467 CB ILE A 33 22.752 11.287 8.009 1.00 20.75 C ATOM 468 CG1 ILE A 33 22.047 11.817 9.250 1.00 16.76 C ATOM 469 CG2 ILE A 33 22.430 12.171 6.824 1.00 20.80 C ATOM 470 CD1 ILE A 33 22.364 13.226 9.594 1.00 17.45 C ATOM 471 HA ILE A 33 21.246 9.784 7.622 1.00 0.00 H ATOM 472 HB ILE A 33 23.834 11.306 8.139 1.00 0.00 H ATOM 473 HG12 ILE A 33 20.972 11.741 9.088 1.00 0.00 H ATOM 474 HG13 ILE A 33 22.331 11.190 10.095 1.00 0.00 H ATOM 475 HD11 ILE A 33 23.434 13.322 9.775 1.00 0.00 H ATOM 476 HD12 ILE A 33 22.075 13.874 8.767 1.00 0.00 H ATOM 477 HD13 ILE A 33 21.815 13.512 10.491 1.00 0.00 H ATOM 478 HG21 ILE A 33 22.951 11.798 5.942 1.00 0.00 H ATOM 479 HG22 ILE A 33 21.355 12.159 6.645 1.00 0.00 H ATOM 480 HG23 ILE A 33 22.753 13.191 7.035 1.00 0.00 H ATOM 481 H ILE A 33 23.269 9.453 9.692 1.00 0.00 H ATOM 482 N LEU A 34 22.130 8.976 5.497 1.00 14.67 N ATOM 483 CA LEU A 34 22.613 8.643 4.146 1.00 16.95 C ATOM 484 C LEU A 34 22.984 9.853 3.313 1.00 22.14 C ATOM 485 O LEU A 34 24.067 9.905 2.677 1.00 22.18 O ATOM 486 CB LEU A 34 21.543 7.849 3.417 1.00 20.50 C ATOM 487 CG LEU A 34 21.282 6.471 4.014 1.00 20.29 C ATOM 488 CD1 LEU A 34 20.115 5.806 3.310 1.00 30.64 C ATOM 489 CD2 LEU A 34 22.527 5.565 3.964 1.00 23.51 C ATOM 490 HA LEU A 34 23.526 8.061 4.276 1.00 0.00 H ATOM 491 HB2 LEU A 34 20.614 8.418 3.446 1.00 0.00 H ATOM 492 HB3 LEU A 34 21.857 7.721 2.381 1.00 0.00 H ATOM 493 HG LEU A 34 21.034 6.616 5.065 1.00 0.00 H ATOM 494 HD21 LEU A 34 22.836 5.431 2.927 1.00 0.00 H ATOM 495 HD22 LEU A 34 23.336 6.030 4.528 1.00 0.00 H ATOM 496 HD23 LEU A 34 22.287 4.596 4.401 1.00 0.00 H ATOM 497 HD11 LEU A 34 19.223 6.421 3.428 1.00 0.00 H ATOM 498 HD12 LEU A 34 20.345 5.698 2.250 1.00 0.00 H ATOM 499 HD13 LEU A 34 19.941 4.823 3.747 1.00 0.00 H ATOM 500 H LEU A 34 21.105 9.002 5.672 1.00 0.00 H ATOM 501 N THR A 35 22.110 10.849 3.342 1.00 12.72 N ATOM 502 CA THR A 35 22.252 12.029 2.527 1.00 12.63 C ATOM 503 C THR A 35 21.534 13.209 3.099 1.00 11.35 C ATOM 504 O THR A 35 20.490 13.082 3.741 1.00 17.42 O ATOM 505 CB THR A 35 21.615 11.782 1.119 1.00 17.61 C ATOM 506 OG1 THR A 35 21.796 10.413 0.751 1.00 21.07 O ATOM 507 CG2 THR A 35 22.218 12.707 0.089 1.00 21.31 C ATOM 508 HA THR A 35 23.322 12.232 2.474 1.00 0.00 H ATOM 509 HB THR A 35 20.547 11.997 1.165 1.00 0.00 H ATOM 510 HG1 THR A 35 22.764 10.207 0.718 1.00 0.00 H ATOM 511 HG23 THR A 35 22.064 13.741 0.397 1.00 0.00 H ATOM 512 HG21 THR A 35 23.286 12.507 0.004 1.00 0.00 H ATOM 513 HG22 THR A 35 21.737 12.538 -0.875 1.00 0.00 H ATOM 514 H THR A 35 21.290 10.776 3.978 1.00 0.00 H ATOM 515 N VAL A 36 22.065 14.377 2.825 1.00 10.37 N ATOM 516 CA VAL A 36 21.443 15.603 3.222 1.00 7.50 C ATOM 517 C VAL A 36 21.287 16.439 1.969 1.00 24.13 C ATOM 518 O VAL A 36 22.195 16.538 1.142 1.00 15.70 O ATOM 519 CB VAL A 36 22.279 16.369 4.257 1.00 17.86 C ATOM 520 CG1 VAL A 36 21.614 17.651 4.641 1.00 16.79 C ATOM 521 CG2 VAL A 36 22.501 15.468 5.470 1.00 22.07 C ATOM 522 HA VAL A 36 20.484 15.390 3.694 1.00 0.00 H ATOM 523 HB VAL A 36 23.245 16.633 3.826 1.00 0.00 H ATOM 524 HG11 VAL A 36 21.494 18.276 3.756 1.00 0.00 H ATOM 525 HG12 VAL A 36 20.636 17.437 5.071 1.00 0.00 H ATOM 526 HG13 VAL A 36 22.229 18.172 5.375 1.00 0.00 H ATOM 527 HG21 VAL A 36 21.537 15.196 5.900 1.00 0.00 H ATOM 528 HG22 VAL A 36 23.030 14.567 5.160 1.00 0.00 H ATOM 529 HG23 VAL A 36 23.094 16.001 6.213 1.00 0.00 H ATOM 530 H VAL A 36 22.964 14.413 2.304 1.00 0.00 H ATOM 531 N SER A 37 20.128 17.059 1.836 1.00 13.86 N ATOM 532 CA SER A 37 19.884 17.966 0.743 1.00 11.61 C ATOM 533 C SER A 37 20.692 19.228 0.916 1.00 15.70 C ATOM 534 O SER A 37 21.315 19.431 1.952 1.00 20.38 O ATOM 535 CB SER A 37 18.377 18.289 0.701 1.00 10.13 C ATOM 536 OG SER A 37 18.025 19.335 1.547 1.00 9.30 O ATOM 537 HA SER A 37 20.187 17.503 -0.196 1.00 0.00 H ATOM 538 HB2 SER A 37 17.822 17.399 0.998 1.00 0.00 H ATOM 539 HB3 SER A 37 18.107 18.561 -0.320 1.00 0.00 H ATOM 540 HG SER A 37 18.517 20.152 1.282 1.00 0.00 H ATOM 541 H SER A 37 19.376 16.889 2.534 1.00 0.00 H ATOM 542 N SER A 38 20.720 20.087 -0.093 1.00 9.59 N ATOM 543 CA SER A 38 21.228 21.442 0.112 1.00 16.14 C ATOM 544 C SER A 38 20.295 22.150 1.080 1.00 17.49 C ATOM 545 O SER A 38 19.169 21.692 1.306 1.00 19.96 O ATOM 546 CB SER A 38 21.310 22.251 -1.186 1.00 17.74 C ATOM 547 OG SER A 38 22.025 21.571 -2.218 1.00 20.95 O ATOM 548 HA SER A 38 22.242 21.367 0.504 1.00 0.00 H ATOM 549 HB2 SER A 38 21.813 23.195 -0.977 1.00 0.00 H ATOM 550 HB3 SER A 38 20.297 22.451 -1.537 1.00 0.00 H ATOM 551 HG SER A 38 21.572 20.715 -2.423 1.00 0.00 H ATOM 552 H SER A 38 20.380 19.796 -1.032 1.00 0.00 H ATOM 553 N PHE A 39 20.781 23.258 1.649 1.00 14.56 N ATOM 554 CA PHE A 39 20.005 24.133 2.489 1.00 23.04 C ATOM 555 C PHE A 39 19.323 25.160 1.621 1.00 25.71 C ATOM 556 O PHE A 39 19.968 25.817 0.800 1.00 19.06 O ATOM 557 CB PHE A 39 20.901 24.823 3.540 1.00 18.28 C ATOM 558 CG PHE A 39 21.434 23.886 4.585 1.00 11.18 C ATOM 559 CD1 PHE A 39 21.055 22.558 4.619 1.00 13.08 C ATOM 560 CD2 PHE A 39 22.350 24.327 5.541 1.00 17.26 C ATOM 561 CE1 PHE A 39 21.542 21.686 5.600 1.00 17.91 C ATOM 562 CE2 PHE A 39 22.856 23.451 6.506 1.00 20.05 C ATOM 563 CZ PHE A 39 22.458 22.138 6.538 1.00 19.81 C ATOM 564 HA PHE A 39 19.257 23.549 3.025 1.00 0.00 H ATOM 565 HB2 PHE A 39 21.745 25.282 3.025 1.00 0.00 H ATOM 566 HB3 PHE A 39 20.316 25.597 4.037 1.00 0.00 H ATOM 567 HD2 PHE A 39 22.675 25.367 5.535 1.00 0.00 H ATOM 568 HE2 PHE A 39 23.574 23.815 7.241 1.00 0.00 H ATOM 569 HZ PHE A 39 22.857 21.459 7.291 1.00 0.00 H ATOM 570 HE1 PHE A 39 21.201 20.651 5.627 1.00 0.00 H ATOM 571 HD1 PHE A 39 20.362 22.181 3.866 1.00 0.00 H ATOM 572 H PHE A 39 21.777 23.502 1.475 1.00 0.00 H ATOM 573 N TYR A 40 18.011 25.306 1.818 1.00 17.54 N ATOM 574 CA TYR A 40 17.198 26.183 0.987 1.00 17.38 C ATOM 575 C TYR A 40 16.567 27.330 1.766 1.00 18.38 C ATOM 576 O TYR A 40 16.082 27.160 2.901 1.00 17.82 O ATOM 577 CB TYR A 40 16.112 25.360 0.297 1.00 17.11 C ATOM 578 CG TYR A 40 16.623 24.374 -0.718 1.00 17.53 C ATOM 579 CD1 TYR A 40 16.949 24.791 -1.988 1.00 20.21 C ATOM 580 CD2 TYR A 40 16.759 23.036 -0.420 1.00 15.64 C ATOM 581 CE1 TYR A 40 17.397 23.940 -2.899 1.00 15.82 C ATOM 582 CE2 TYR A 40 17.225 22.138 -1.347 1.00 23.72 C ATOM 583 CZ TYR A 40 17.543 22.611 -2.619 1.00 11.01 C ATOM 584 OH TYR A 40 18.021 21.741 -3.584 1.00 17.63 O ATOM 585 HA TYR A 40 17.861 26.637 0.250 1.00 0.00 H ATOM 586 HB3 TYR A 40 15.433 26.047 -0.208 1.00 0.00 H ATOM 587 HB2 TYR A 40 15.565 24.808 1.062 1.00 0.00 H ATOM 588 HD2 TYR A 40 16.490 22.682 0.575 1.00 0.00 H ATOM 589 HE2 TYR A 40 17.343 21.084 -1.096 1.00 0.00 H ATOM 590 HE1 TYR A 40 17.654 24.308 -3.892 1.00 0.00 H ATOM 591 HD1 TYR A 40 16.836 25.843 -2.250 1.00 0.00 H ATOM 592 HH TYR A 40 18.862 21.327 -3.266 1.00 0.00 H ATOM 593 H TYR A 40 17.555 24.777 2.589 1.00 0.00 H ATOM 594 N ARG A 41 16.551 28.505 1.150 1.00 24.36 N ATOM 595 CA ARG A 41 15.980 29.697 1.759 1.00 21.13 C ATOM 596 C ARG A 41 14.588 29.881 1.177 1.00 34.39 C ATOM 597 O ARG A 41 14.435 30.059 -0.029 1.00 32.71 O ATOM 598 CB ARG A 41 16.842 30.924 1.464 1.00 26.11 C ATOM 599 CG ARG A 41 16.396 32.197 2.182 1.00 39.11 C ATOM 600 CD ARG A 41 17.249 33.407 1.778 1.00 39.06 C ATOM 601 NE ARG A 41 18.667 33.152 1.990 1.00 39.92 N ATOM 602 CZ ARG A 41 19.337 33.466 3.097 1.00 39.62 C ATOM 603 NH1 ARG A 41 18.743 34.090 4.106 1.00 48.29 N ATOM 604 NH2 ARG A 41 20.622 33.168 3.195 1.00 31.91 N ATOM 605 HA ARG A 41 15.936 29.583 2.842 1.00 0.00 H ATOM 606 HB2 ARG A 41 17.865 30.703 1.767 1.00 0.00 H ATOM 607 HB3 ARG A 41 16.814 31.110 0.390 1.00 0.00 H ATOM 608 HG2 ARG A 41 15.355 32.399 1.930 1.00 0.00 H ATOM 609 HG3 ARG A 41 16.485 32.045 3.258 1.00 0.00 H ATOM 610 HD2 ARG A 41 16.950 34.268 2.376 1.00 0.00 H ATOM 611 HD3 ARG A 41 17.081 33.623 0.723 1.00 0.00 H ATOM 612 HE ARG A 41 19.195 32.691 1.221 1.00 0.00 H ATOM 613 HH12 ARG A 41 19.284 34.326 4.962 1.00 0.00 H ATOM 614 HH11 ARG A 41 17.736 34.343 4.041 1.00 0.00 H ATOM 615 HH22 ARG A 41 21.148 33.412 4.058 1.00 0.00 H ATOM 616 HH21 ARG A 41 21.106 32.690 2.409 1.00 0.00 H ATOM 617 H ARG A 41 16.962 28.577 0.197 1.00 0.00 H ATOM 618 N THR A 42 13.569 29.812 2.026 1.00 26.61 N ATOM 619 CA THR A 42 12.190 29.884 1.554 1.00 27.73 C ATOM 620 C THR A 42 11.439 31.020 2.217 1.00 23.24 C ATOM 621 O THR A 42 11.661 31.319 3.391 1.00 25.22 O ATOM 622 CB THR A 42 11.429 28.530 1.723 1.00 26.28 C ATOM 623 OG1 THR A 42 11.349 28.142 3.093 1.00 25.20 O ATOM 624 CG2 THR A 42 12.135 27.441 0.964 1.00 36.59 C ATOM 625 HA THR A 42 12.237 30.088 0.484 1.00 0.00 H ATOM 626 HB THR A 42 10.421 28.675 1.334 1.00 0.00 H ATOM 627 HG1 THR A 42 10.862 27.283 3.164 1.00 0.00 H ATOM 628 HG23 THR A 42 12.206 27.720 -0.087 1.00 0.00 H ATOM 629 HG21 THR A 42 13.136 27.305 1.373 1.00 0.00 H ATOM 630 HG22 THR A 42 11.573 26.512 1.058 1.00 0.00 H ATOM 631 H THR A 42 13.757 29.705 3.043 1.00 0.00 H ATOM 632 N PRO A 43 10.575 31.699 1.441 1.00 21.98 N ATOM 633 CA PRO A 43 9.738 32.790 1.941 1.00 36.81 C ATOM 634 C PRO A 43 8.747 32.223 2.949 1.00 19.12 C ATOM 635 O PRO A 43 8.288 31.097 2.762 1.00 25.83 O ATOM 636 CB PRO A 43 9.022 33.282 0.679 1.00 27.55 C ATOM 637 CG PRO A 43 8.990 32.096 -0.216 1.00 29.60 C ATOM 638 CD PRO A 43 10.245 31.335 0.049 1.00 26.98 C ATOM 639 HA PRO A 43 10.284 33.587 2.445 1.00 0.00 H ATOM 640 HD3 PRO A 43 10.079 30.262 -0.045 1.00 0.00 H ATOM 641 HD2 PRO A 43 11.038 31.640 -0.633 1.00 0.00 H ATOM 642 HG3 PRO A 43 8.953 32.411 -1.259 1.00 0.00 H ATOM 643 HG2 PRO A 43 8.120 31.478 0.007 1.00 0.00 H ATOM 644 HB2 PRO A 43 8.011 33.615 0.914 1.00 0.00 H ATOM 645 HB3 PRO A 43 9.574 34.100 0.216 1.00 0.00 H ATOM 646 N PRO A 44 8.449 32.961 4.016 1.00 38.58 N ATOM 647 CA PRO A 44 7.553 32.435 5.062 1.00 44.08 C ATOM 648 C PRO A 44 6.133 32.021 4.586 1.00 49.59 C ATOM 649 O PRO A 44 5.368 32.886 4.155 1.00 52.84 O ATOM 650 CB PRO A 44 7.442 33.606 6.047 1.00 51.67 C ATOM 651 CG PRO A 44 8.588 34.517 5.730 1.00 40.76 C ATOM 652 CD PRO A 44 8.921 34.326 4.298 1.00 40.75 C ATOM 653 HA PRO A 44 7.963 31.510 5.467 1.00 0.00 H ATOM 654 HD3 PRO A 44 8.401 35.055 3.676 1.00 0.00 H ATOM 655 HD2 PRO A 44 9.995 34.409 4.133 1.00 0.00 H ATOM 656 HG3 PRO A 44 9.448 34.264 6.350 1.00 0.00 H ATOM 657 HG2 PRO A 44 8.302 35.553 5.912 1.00 0.00 H ATOM 658 HB2 PRO A 44 6.494 34.127 5.912 1.00 0.00 H ATOM 659 HB3 PRO A 44 7.515 33.247 7.074 1.00 0.00 H ATOM 660 N LEU A 45 5.798 30.726 4.670 1.00 36.54 N ATOM 661 CA LEU A 45 4.399 30.270 4.593 1.00 32.73 C ATOM 662 C LEU A 45 3.661 30.721 5.850 1.00 46.56 C ATOM 663 O LEU A 45 3.709 30.050 6.888 1.00 33.51 O ATOM 664 CB LEU A 45 4.285 28.743 4.457 1.00 31.06 C ATOM 665 CG LEU A 45 2.841 28.220 4.285 1.00 42.78 C ATOM 666 CD1 LEU A 45 2.135 28.892 3.097 1.00 32.89 C ATOM 667 CD2 LEU A 45 2.785 26.697 4.145 1.00 38.47 C ATOM 668 HA LEU A 45 3.955 30.710 3.700 1.00 0.00 H ATOM 669 HB2 LEU A 45 4.865 28.434 3.587 1.00 0.00 H ATOM 670 HB3 LEU A 45 4.707 28.289 5.353 1.00 0.00 H ATOM 671 HG LEU A 45 2.309 28.486 5.199 1.00 0.00 H ATOM 672 HD21 LEU A 45 3.360 26.392 3.271 1.00 0.00 H ATOM 673 HD22 LEU A 45 3.207 26.236 5.038 1.00 0.00 H ATOM 674 HD23 LEU A 45 1.748 26.382 4.027 1.00 0.00 H ATOM 675 HD11 LEU A 45 2.095 29.969 3.262 1.00 0.00 H ATOM 676 HD12 LEU A 45 2.689 28.684 2.182 1.00 0.00 H ATOM 677 HD13 LEU A 45 1.122 28.499 3.008 1.00 0.00 H ATOM 678 H LEU A 45 6.551 30.019 4.794 1.00 0.00 H ATOM 679 N GLY A 46 2.972 31.851 5.733 1.00 44.50 N ATOM 680 CA GLY A 46 2.462 32.586 6.877 1.00 50.53 C ATOM 681 C GLY A 46 2.779 34.063 6.694 1.00 53.13 C ATOM 682 O GLY A 46 3.211 34.483 5.616 1.00 60.87 O ATOM 683 HA3 GLY A 46 2.935 32.220 7.788 1.00 0.00 H ATOM 684 HA2 GLY A 46 1.383 32.449 6.949 1.00 0.00 H ATOM 685 H GLY A 46 2.790 32.226 4.780 1.00 0.00 H ATOM 686 N PRO A 47 2.571 34.863 7.747 1.00 55.73 N ATOM 687 CA PRO A 47 2.837 36.310 7.736 1.00 71.09 C ATOM 688 C PRO A 47 4.193 36.668 7.106 1.00 67.19 C ATOM 689 O PRO A 47 5.214 36.055 7.425 1.00 59.59 O ATOM 690 CB PRO A 47 2.806 36.675 9.223 1.00 53.65 C ATOM 691 CG PRO A 47 1.877 35.689 9.817 1.00 58.28 C ATOM 692 CD PRO A 47 2.079 34.403 9.056 1.00 42.99 C ATOM 693 HA PRO A 47 2.113 36.855 7.131 1.00 0.00 H ATOM 694 HD3 PRO A 47 2.814 33.767 9.549 1.00 0.00 H ATOM 695 HD2 PRO A 47 1.141 33.858 8.952 1.00 0.00 H ATOM 696 HG3 PRO A 47 0.847 36.031 9.714 1.00 0.00 H ATOM 697 HG2 PRO A 47 2.106 35.543 10.873 1.00 0.00 H ATOM 698 HB2 PRO A 47 3.799 36.587 9.664 1.00 0.00 H ATOM 699 HB3 PRO A 47 2.436 37.690 9.365 1.00 0.00 H ATOM 700 N GLN A 48 4.200 37.667 6.230 1.00 66.59 N ATOM 701 CA GLN A 48 5.364 37.920 5.385 1.00 66.18 C ATOM 702 C GLN A 48 6.503 38.716 6.033 1.00 77.57 C ATOM 703 O GLN A 48 7.498 39.019 5.359 1.00 74.95 O ATOM 704 CB GLN A 48 4.939 38.644 4.099 1.00 57.88 C ATOM 705 CG GLN A 48 4.651 37.732 2.920 1.00 49.19 C ATOM 706 CD GLN A 48 5.712 36.651 2.729 1.00 68.31 C ATOM 707 OE1 GLN A 48 6.771 36.902 2.146 1.00 64.29 O ATOM 708 NE2 GLN A 48 5.432 35.444 3.221 1.00 63.25 N ATOM 709 HA GLN A 48 5.766 36.927 5.186 1.00 0.00 H ATOM 710 HB2 GLN A 48 4.036 39.216 4.314 1.00 0.00 H ATOM 711 HB3 GLN A 48 5.740 39.326 3.813 1.00 0.00 H ATOM 712 HG2 GLN A 48 3.687 37.249 3.082 1.00 0.00 H ATOM 713 HG3 GLN A 48 4.605 38.338 2.015 1.00 0.00 H ATOM 714 HE22 GLN A 48 4.527 35.277 3.705 1.00 0.00 H ATOM 715 HE21 GLN A 48 6.119 34.669 3.121 1.00 0.00 H ATOM 716 H GLN A 48 3.363 38.279 6.145 1.00 0.00 H ATOM 717 N ASP A 49 6.382 39.063 7.312 1.00 60.10 N ATOM 718 CA ASP A 49 7.409 39.905 7.937 1.00 75.11 C ATOM 719 C ASP A 49 8.487 39.101 8.654 1.00 69.59 C ATOM 720 O ASP A 49 9.639 39.541 8.730 1.00 73.30 O ATOM 721 CB ASP A 49 6.805 40.947 8.893 1.00 73.11 C ATOM 722 CG ASP A 49 5.993 40.329 10.013 1.00 73.89 C ATOM 723 OD1 ASP A 49 6.144 39.122 10.302 1.00 70.47 O ATOM 724 OD2 ASP A 49 5.196 41.073 10.615 1.00 81.43 O ATOM 725 HA ASP A 49 7.887 40.431 7.110 1.00 0.00 H ATOM 726 HB2 ASP A 49 7.617 41.526 9.332 1.00 0.00 H ATOM 727 HB3 ASP A 49 6.157 41.609 8.319 1.00 0.00 H ATOM 728 H ASP A 49 5.564 38.739 7.866 1.00 0.00 H ATOM 729 N GLN A 50 8.113 37.933 9.170 1.00 61.20 N ATOM 730 CA GLN A 50 9.042 37.070 9.900 1.00 61.85 C ATOM 731 C GLN A 50 10.213 36.587 9.017 1.00 57.43 C ATOM 732 O GLN A 50 10.149 36.660 7.778 1.00 51.96 O ATOM 733 CB GLN A 50 8.288 35.865 10.454 1.00 58.28 C ATOM 734 CG GLN A 50 7.911 34.866 9.376 1.00 61.25 C ATOM 735 CD GLN A 50 7.046 33.753 9.896 1.00 54.79 C ATOM 736 OE1 GLN A 50 7.367 33.135 10.907 1.00 53.01 O ATOM 737 NE2 GLN A 50 5.933 33.489 9.210 1.00 52.75 N ATOM 738 HA GLN A 50 9.468 37.659 10.713 1.00 0.00 H ATOM 739 HB2 GLN A 50 8.920 35.365 11.188 1.00 0.00 H ATOM 740 HB3 GLN A 50 7.377 36.216 10.939 1.00 0.00 H ATOM 741 HG2 GLN A 50 7.370 35.390 8.588 1.00 0.00 H ATOM 742 HG3 GLN A 50 8.824 34.436 8.964 1.00 0.00 H ATOM 743 HE22 GLN A 50 5.704 34.041 8.359 1.00 0.00 H ATOM 744 HE21 GLN A 50 5.294 32.732 9.526 1.00 0.00 H ATOM 745 H GLN A 50 7.127 37.623 9.050 1.00 0.00 H ATOM 746 N PRO A 51 11.284 36.081 9.655 1.00 41.70 N ATOM 747 CA PRO A 51 12.483 35.675 8.905 1.00 35.91 C ATOM 748 C PRO A 51 12.239 34.549 7.904 1.00 47.45 C ATOM 749 O PRO A 51 11.467 33.620 8.176 1.00 44.42 O ATOM 750 CB PRO A 51 13.453 35.189 10.006 1.00 45.40 C ATOM 751 CG PRO A 51 12.932 35.771 11.305 1.00 40.62 C ATOM 752 CD PRO A 51 11.433 35.852 11.108 1.00 41.49 C ATOM 753 HA PRO A 51 12.853 36.503 8.301 1.00 0.00 H ATOM 754 HD3 PRO A 51 10.950 34.922 11.407 1.00 0.00 H ATOM 755 HD2 PRO A 51 11.010 36.679 11.678 1.00 0.00 H ATOM 756 HG3 PRO A 51 13.352 36.761 11.480 1.00 0.00 H ATOM 757 HG2 PRO A 51 13.176 35.120 12.145 1.00 0.00 H ATOM 758 HB2 PRO A 51 13.458 34.100 10.053 1.00 0.00 H ATOM 759 HB3 PRO A 51 14.463 35.548 9.807 1.00 0.00 H ATOM 760 N ASP A 52 12.897 34.645 6.754 1.00 33.87 N ATOM 761 CA ASP A 52 12.983 33.520 5.818 1.00 33.01 C ATOM 762 C ASP A 52 13.348 32.233 6.533 1.00 33.04 C ATOM 763 O ASP A 52 14.119 32.226 7.503 1.00 28.57 O ATOM 764 CB ASP A 52 14.038 33.784 4.745 1.00 35.84 C ATOM 765 CG ASP A 52 13.492 34.535 3.555 1.00 43.54 C ATOM 766 OD1 ASP A 52 12.420 35.171 3.676 1.00 44.93 O ATOM 767 OD2 ASP A 52 14.149 34.493 2.494 1.00 51.18 O ATOM 768 HA ASP A 52 12.000 33.417 5.359 1.00 0.00 H ATOM 769 HB2 ASP A 52 14.844 34.370 5.186 1.00 0.00 H ATOM 770 HB3 ASP A 52 14.432 32.827 4.402 1.00 0.00 H ATOM 771 H ASP A 52 13.364 35.542 6.511 1.00 0.00 H ATOM 772 N TYR A 53 12.834 31.131 6.007 1.00 19.43 N ATOM 773 CA TYR A 53 13.065 29.825 6.595 1.00 17.53 C ATOM 774 C TYR A 53 14.207 29.121 5.890 1.00 20.20 C ATOM 775 O TYR A 53 14.444 29.326 4.686 1.00 18.96 O ATOM 776 CB TYR A 53 11.838 28.951 6.419 1.00 18.51 C ATOM 777 CG TYR A 53 10.746 29.160 7.426 1.00 26.39 C ATOM 778 CD1 TYR A 53 10.010 30.334 7.435 1.00 26.89 C ATOM 779 CD2 TYR A 53 10.447 28.171 8.361 1.00 28.27 C ATOM 780 CE1 TYR A 53 9.016 30.536 8.357 1.00 47.39 C ATOM 781 CE2 TYR A 53 9.454 28.360 9.299 1.00 33.05 C ATOM 782 CZ TYR A 53 8.743 29.547 9.291 1.00 29.83 C ATOM 783 OH TYR A 53 7.744 29.752 10.205 1.00 45.12 O ATOM 784 HA TYR A 53 13.295 29.975 7.650 1.00 0.00 H ATOM 785 HB3 TYR A 53 12.156 27.910 6.479 1.00 0.00 H ATOM 786 HB2 TYR A 53 11.425 29.147 5.430 1.00 0.00 H ATOM 787 HD2 TYR A 53 11.006 27.235 8.351 1.00 0.00 H ATOM 788 HE2 TYR A 53 9.233 27.587 10.035 1.00 0.00 H ATOM 789 HE1 TYR A 53 8.445 31.465 8.356 1.00 0.00 H ATOM 790 HD1 TYR A 53 10.225 31.108 6.698 1.00 0.00 H ATOM 791 HH TYR A 53 7.343 30.645 10.059 1.00 0.00 H ATOM 792 H TYR A 53 12.249 31.204 5.150 1.00 0.00 H ATOM 793 N LEU A 54 14.861 28.235 6.628 1.00 15.77 N ATOM 794 CA LEU A 54 15.799 27.295 6.052 1.00 22.79 C ATOM 795 C LEU A 54 15.128 25.963 6.077 1.00 23.12 C ATOM 796 O LEU A 54 14.792 25.476 7.151 1.00 23.47 O ATOM 797 CB LEU A 54 17.104 27.248 6.856 1.00 21.34 C ATOM 798 CG LEU A 54 18.268 26.407 6.320 1.00 22.49 C ATOM 799 CD1 LEU A 54 19.531 26.696 7.130 1.00 25.56 C ATOM 800 CD2 LEU A 54 17.952 24.906 6.337 1.00 18.76 C ATOM 801 HA LEU A 54 16.066 27.591 5.038 1.00 0.00 H ATOM 802 HB2 LEU A 54 17.463 28.273 6.946 1.00 0.00 H ATOM 803 HB3 LEU A 54 16.858 26.862 7.845 1.00 0.00 H ATOM 804 HG LEU A 54 18.430 26.688 5.279 1.00 0.00 H ATOM 805 HD21 LEU A 54 17.748 24.591 7.360 1.00 0.00 H ATOM 806 HD22 LEU A 54 17.078 24.713 5.715 1.00 0.00 H ATOM 807 HD23 LEU A 54 18.806 24.352 5.948 1.00 0.00 H ATOM 808 HD11 LEU A 54 19.781 27.754 7.046 1.00 0.00 H ATOM 809 HD12 LEU A 54 19.356 26.445 8.176 1.00 0.00 H ATOM 810 HD13 LEU A 54 20.354 26.095 6.744 1.00 0.00 H ATOM 811 H LEU A 54 14.695 28.215 7.654 1.00 0.00 H ATOM 812 N ASN A 55 14.951 25.371 4.889 1.00 12.30 N ATOM 813 CA ASN A 55 14.445 24.000 4.759 1.00 11.51 C ATOM 814 C ASN A 55 15.477 23.064 4.154 1.00 12.30 C ATOM 815 O ASN A 55 16.307 23.469 3.333 1.00 17.12 O ATOM 816 CB ASN A 55 13.163 23.983 3.906 1.00 14.56 C ATOM 817 CG ASN A 55 11.949 24.565 4.639 1.00 16.93 C ATOM 818 OD1 ASN A 55 11.439 25.630 4.290 1.00 18.63 O ATOM 819 ND2 ASN A 55 11.501 23.870 5.649 1.00 19.83 N ATOM 820 HA ASN A 55 14.222 23.642 5.764 1.00 0.00 H ATOM 821 HB2 ASN A 55 13.338 24.569 3.003 1.00 0.00 H ATOM 822 HB3 ASN A 55 12.942 22.952 3.631 1.00 0.00 H ATOM 823 HD22 ASN A 55 11.962 22.975 5.910 1.00 0.00 H ATOM 824 HD21 ASN A 55 10.683 24.211 6.193 1.00 0.00 H ATOM 825 H ASN A 55 15.181 25.903 4.026 1.00 0.00 H ATOM 826 N ALA A 56 15.397 21.797 4.522 1.00 12.24 N ATOM 827 CA ALA A 56 16.230 20.771 3.950 1.00 12.95 C ATOM 828 C ALA A 56 15.560 19.448 4.191 1.00 14.88 C ATOM 829 O ALA A 56 14.559 19.358 4.941 1.00 18.33 O ATOM 830 CB ALA A 56 17.642 20.801 4.613 1.00 13.44 C ATOM 831 HA ALA A 56 16.360 20.933 2.880 1.00 0.00 H ATOM 832 HB1 ALA A 56 18.102 21.774 4.442 1.00 0.00 H ATOM 833 HB2 ALA A 56 17.543 20.628 5.685 1.00 0.00 H ATOM 834 HB3 ALA A 56 18.265 20.022 4.174 1.00 0.00 H ATOM 835 H ALA A 56 14.706 21.531 5.252 1.00 0.00 H ATOM 836 N ALA A 57 16.071 18.427 3.516 1.00 11.00 N ATOM 837 CA ALA A 57 15.623 17.061 3.649 1.00 9.65 C ATOM 838 C ALA A 57 16.788 16.174 4.013 1.00 12.52 C ATOM 839 O ALA A 57 17.909 16.426 3.583 1.00 14.84 O ATOM 840 CB ALA A 57 15.013 16.558 2.335 1.00 8.97 C ATOM 841 HA ALA A 57 14.865 17.028 4.432 1.00 0.00 H ATOM 842 HB1 ALA A 57 14.161 17.184 2.068 1.00 0.00 H ATOM 843 HB2 ALA A 57 15.763 16.607 1.545 1.00 0.00 H ATOM 844 HB3 ALA A 57 14.683 15.527 2.460 1.00 0.00 H ATOM 845 H ALA A 57 16.844 18.623 2.848 1.00 0.00 H ATOM 846 N VAL A 58 16.496 15.078 4.700 1.00 13.58 N ATOM 847 CA VAL A 58 17.515 14.119 5.144 1.00 10.37 C ATOM 848 C VAL A 58 16.998 12.761 4.870 1.00 16.04 C ATOM 849 O VAL A 58 15.823 12.475 5.143 1.00 17.75 O ATOM 850 CB VAL A 58 17.716 14.221 6.666 1.00 15.82 C ATOM 851 CG1 VAL A 58 18.597 13.134 7.142 1.00 18.62 C ATOM 852 CG2 VAL A 58 18.258 15.536 7.013 1.00 18.50 C ATOM 853 HA VAL A 58 18.453 14.323 4.629 1.00 0.00 H ATOM 854 HB VAL A 58 16.752 14.110 7.162 1.00 0.00 H ATOM 855 HG11 VAL A 58 18.144 12.171 6.906 1.00 0.00 H ATOM 856 HG12 VAL A 58 19.566 13.211 6.649 1.00 0.00 H ATOM 857 HG13 VAL A 58 18.729 13.221 8.221 1.00 0.00 H ATOM 858 HG21 VAL A 58 19.217 15.675 6.514 1.00 0.00 H ATOM 859 HG22 VAL A 58 17.563 16.311 6.690 1.00 0.00 H ATOM 860 HG23 VAL A 58 18.396 15.597 8.092 1.00 0.00 H ATOM 861 H VAL A 58 15.501 14.889 4.935 1.00 0.00 H ATOM 862 N ALA A 59 17.864 11.920 4.315 1.00 9.90 N ATOM 863 CA ALA A 59 17.624 10.512 4.195 1.00 8.55 C ATOM 864 C ALA A 59 18.336 9.876 5.390 1.00 14.33 C ATOM 865 O ALA A 59 19.573 10.013 5.551 1.00 14.91 O ATOM 866 CB ALA A 59 18.181 9.974 2.885 1.00 18.96 C ATOM 867 HA ALA A 59 16.558 10.285 4.191 1.00 0.00 H ATOM 868 HB1 ALA A 59 17.700 10.484 2.050 1.00 0.00 H ATOM 869 HB2 ALA A 59 19.256 10.150 2.849 1.00 0.00 H ATOM 870 HB3 ALA A 59 17.985 8.904 2.821 1.00 0.00 H ATOM 871 H ALA A 59 18.760 12.302 3.950 1.00 0.00 H ATOM 872 N LEU A 60 17.551 9.187 6.214 1.00 17.84 N ATOM 873 CA LEU A 60 18.043 8.539 7.412 1.00 12.28 C ATOM 874 C LEU A 60 17.799 7.049 7.302 1.00 14.50 C ATOM 875 O LEU A 60 16.645 6.590 7.150 1.00 18.36 O ATOM 876 CB LEU A 60 17.346 9.102 8.650 1.00 22.90 C ATOM 877 CG LEU A 60 17.958 8.623 9.969 1.00 19.59 C ATOM 878 CD1 LEU A 60 19.225 9.410 10.276 1.00 14.12 C ATOM 879 CD2 LEU A 60 16.937 8.743 11.088 1.00 16.46 C ATOM 880 HA LEU A 60 19.112 8.727 7.512 1.00 0.00 H ATOM 881 HB2 LEU A 60 17.408 10.190 8.616 1.00 0.00 H ATOM 882 HB3 LEU A 60 16.300 8.798 8.625 1.00 0.00 H ATOM 883 HG LEU A 60 18.235 7.573 9.881 1.00 0.00 H ATOM 884 HD21 LEU A 60 16.632 9.785 11.190 1.00 0.00 H ATOM 885 HD22 LEU A 60 16.067 8.130 10.852 1.00 0.00 H ATOM 886 HD23 LEU A 60 17.382 8.400 12.022 1.00 0.00 H ATOM 887 HD11 LEU A 60 19.946 9.263 9.472 1.00 0.00 H ATOM 888 HD12 LEU A 60 18.982 10.469 10.358 1.00 0.00 H ATOM 889 HD13 LEU A 60 19.650 9.059 11.216 1.00 0.00 H ATOM 890 H LEU A 60 16.539 9.110 5.988 1.00 0.00 H ATOM 891 N GLU A 61 18.880 6.276 7.357 1.00 16.59 N ATOM 892 CA GLU A 61 18.739 4.827 7.436 1.00 13.02 C ATOM 893 C GLU A 61 18.487 4.506 8.900 1.00 26.94 C ATOM 894 O GLU A 61 19.153 5.070 9.779 1.00 21.25 O ATOM 895 CB GLU A 61 20.004 4.103 6.988 1.00 22.07 C ATOM 896 CG GLU A 61 19.863 2.592 6.999 1.00 28.07 C ATOM 897 CD GLU A 61 19.186 2.065 5.749 1.00 44.63 C ATOM 898 OE1 GLU A 61 19.528 2.537 4.637 1.00 46.73 O ATOM 899 OE2 GLU A 61 18.315 1.172 5.872 1.00 46.43 O ATOM 900 HA GLU A 61 17.931 4.500 6.782 1.00 0.00 H ATOM 901 HB2 GLU A 61 20.245 4.421 5.974 1.00 0.00 H ATOM 902 HB3 GLU A 61 20.818 4.380 7.658 1.00 0.00 H ATOM 903 HG2 GLU A 61 20.856 2.148 7.073 1.00 0.00 H ATOM 904 HG3 GLU A 61 19.271 2.302 7.867 1.00 0.00 H ATOM 905 H GLU A 61 19.827 6.706 7.344 1.00 0.00 H ATOM 906 N THR A 62 17.507 3.646 9.166 1.00 17.71 N ATOM 907 CA THR A 62 17.161 3.310 10.538 1.00 26.04 C ATOM 908 C THR A 62 16.573 1.909 10.688 1.00 22.56 C ATOM 909 O THR A 62 15.912 1.388 9.785 1.00 29.35 O ATOM 910 CB THR A 62 16.187 4.349 11.161 1.00 27.37 C ATOM 911 OG1 THR A 62 15.989 4.056 12.552 1.00 24.69 O ATOM 912 CG2 THR A 62 14.820 4.301 10.453 1.00 22.52 C ATOM 913 HA THR A 62 18.106 3.332 11.081 1.00 0.00 H ATOM 914 HB THR A 62 16.625 5.340 11.042 1.00 0.00 H ATOM 915 HG1 THR A 62 16.858 4.097 13.024 1.00 0.00 H ATOM 916 HG23 THR A 62 14.953 4.522 9.394 1.00 0.00 H ATOM 917 HG21 THR A 62 14.388 3.307 10.567 1.00 0.00 H ATOM 918 HG22 THR A 62 14.155 5.041 10.899 1.00 0.00 H ATOM 919 H THR A 62 16.982 3.208 8.382 1.00 0.00 H ATOM 920 N SER A 63 16.853 1.303 11.849 1.00 33.76 N ATOM 921 CA SER A 63 16.266 0.028 12.250 1.00 28.26 C ATOM 922 C SER A 63 15.150 0.229 13.286 1.00 19.29 C ATOM 923 O SER A 63 14.536 -0.741 13.737 1.00 28.03 O ATOM 924 CB SER A 63 17.337 -0.882 12.860 1.00 28.02 C ATOM 925 OG SER A 63 18.306 -1.227 11.890 1.00 53.08 O ATOM 926 HA SER A 63 15.846 -0.432 11.355 1.00 0.00 H ATOM 927 HB2 SER A 63 16.865 -1.790 13.235 1.00 0.00 H ATOM 928 HB3 SER A 63 17.824 -0.361 13.684 1.00 0.00 H ATOM 929 HG SER A 63 18.989 -1.814 12.301 1.00 0.00 H ATOM 930 H SER A 63 17.522 1.764 12.498 1.00 0.00 H ATOM 931 N LEU A 64 14.915 1.475 13.663 1.00 21.53 N ATOM 932 CA LEU A 64 13.864 1.824 14.618 1.00 22.87 C ATOM 933 C LEU A 64 12.494 1.624 14.016 1.00 35.48 C ATOM 934 O LEU A 64 12.310 1.719 12.805 1.00 23.00 O ATOM 935 CB LEU A 64 13.987 3.279 15.067 1.00 26.97 C ATOM 936 CG LEU A 64 15.320 3.654 15.744 1.00 29.13 C ATOM 937 CD1 LEU A 64 15.277 5.046 16.284 1.00 22.36 C ATOM 938 CD2 LEU A 64 15.658 2.678 16.858 1.00 23.20 C ATOM 939 HA LEU A 64 13.987 1.165 15.477 1.00 0.00 H ATOM 940 HB2 LEU A 64 13.866 3.913 14.189 1.00 0.00 H ATOM 941 HB3 LEU A 64 13.182 3.482 15.774 1.00 0.00 H ATOM 942 HG LEU A 64 16.099 3.600 14.983 1.00 0.00 H ATOM 943 HD21 LEU A 64 14.867 2.696 17.608 1.00 0.00 H ATOM 944 HD22 LEU A 64 15.746 1.673 16.445 1.00 0.00 H ATOM 945 HD23 LEU A 64 16.603 2.967 17.318 1.00 0.00 H ATOM 946 HD11 LEU A 64 15.091 5.745 15.469 1.00 0.00 H ATOM 947 HD12 LEU A 64 14.477 5.124 17.021 1.00 0.00 H ATOM 948 HD13 LEU A 64 16.231 5.281 16.755 1.00 0.00 H ATOM 949 H LEU A 64 15.501 2.236 13.265 1.00 0.00 H ATOM 950 N ALA A 65 11.529 1.358 14.882 1.00 25.71 N ATOM 951 CA ALA A 65 10.133 1.360 14.484 1.00 25.03 C ATOM 952 C ALA A 65 9.707 2.798 14.247 1.00 23.07 C ATOM 953 O ALA A 65 10.266 3.732 14.813 1.00 19.80 O ATOM 954 CB ALA A 65 9.259 0.700 15.550 1.00 24.69 C ATOM 955 HA ALA A 65 10.010 0.783 13.568 1.00 0.00 H ATOM 956 HB1 ALA A 65 9.581 -0.331 15.694 1.00 0.00 H ATOM 957 HB2 ALA A 65 9.357 1.247 16.488 1.00 0.00 H ATOM 958 HB3 ALA A 65 8.219 0.715 15.226 1.00 0.00 H ATOM 959 H ALA A 65 11.776 1.143 15.869 1.00 0.00 H ATOM 960 N PRO A 66 8.705 2.990 13.384 1.00 19.22 N ATOM 961 CA PRO A 66 8.267 4.347 13.064 1.00 14.40 C ATOM 962 C PRO A 66 7.939 5.243 14.291 1.00 23.81 C ATOM 963 O PRO A 66 8.288 6.417 14.302 1.00 18.15 O ATOM 964 CB PRO A 66 6.986 4.120 12.242 1.00 31.04 C ATOM 965 CG PRO A 66 7.031 2.711 11.771 1.00 27.77 C ATOM 966 CD PRO A 66 7.899 1.945 12.732 1.00 21.02 C ATOM 967 HA PRO A 66 9.067 4.884 12.554 1.00 0.00 H ATOM 968 HD3 PRO A 66 7.292 1.410 13.462 1.00 0.00 H ATOM 969 HD2 PRO A 66 8.536 1.237 12.202 1.00 0.00 H ATOM 970 HG3 PRO A 66 7.455 2.666 10.768 1.00 0.00 H ATOM 971 HG2 PRO A 66 6.026 2.289 11.758 1.00 0.00 H ATOM 972 HB2 PRO A 66 6.106 4.282 12.864 1.00 0.00 H ATOM 973 HB3 PRO A 66 6.958 4.801 11.391 1.00 0.00 H ATOM 974 N GLU A 67 7.266 4.716 15.310 1.00 23.11 N ATOM 975 CA GLU A 67 6.900 5.551 16.447 1.00 25.84 C ATOM 976 C GLU A 67 8.117 5.859 17.345 1.00 13.12 C ATOM 977 O GLU A 67 8.167 6.908 18.016 1.00 20.58 O ATOM 978 CB GLU A 67 5.751 4.903 17.235 1.00 39.12 C ATOM 979 CG GLU A 67 6.105 3.597 17.942 1.00 45.60 C ATOM 980 CD GLU A 67 5.966 2.346 17.067 1.00 57.62 C ATOM 981 OE1 GLU A 67 5.497 2.456 15.901 1.00 48.52 O ATOM 982 OE2 GLU A 67 6.339 1.248 17.559 1.00 42.39 O ATOM 983 HA GLU A 67 6.548 6.510 16.068 1.00 0.00 H ATOM 984 HB2 GLU A 67 5.415 5.615 17.989 1.00 0.00 H ATOM 985 HB3 GLU A 67 4.936 4.701 16.540 1.00 0.00 H ATOM 986 HG2 GLU A 67 7.138 3.662 18.282 1.00 0.00 H ATOM 987 HG3 GLU A 67 5.446 3.486 18.803 1.00 0.00 H ATOM 988 H GLU A 67 7.002 3.710 15.295 1.00 0.00 H ATOM 989 N GLU A 68 9.084 4.952 17.331 1.00 18.12 N ATOM 990 CA GLU A 68 10.363 5.145 18.009 1.00 21.30 C ATOM 991 C GLU A 68 11.133 6.272 17.343 1.00 19.41 C ATOM 992 O GLU A 68 11.692 7.121 18.017 1.00 20.87 O ATOM 993 CB GLU A 68 11.189 3.850 18.000 1.00 28.57 C ATOM 994 CG GLU A 68 10.496 2.683 18.715 1.00 32.06 C ATOM 995 CD GLU A 68 11.295 1.372 18.691 1.00 39.59 C ATOM 996 OE1 GLU A 68 12.026 1.088 17.708 1.00 28.86 O ATOM 997 OE2 GLU A 68 11.186 0.608 19.673 1.00 54.61 O ATOM 998 HA GLU A 68 10.170 5.412 19.048 1.00 0.00 H ATOM 999 HB2 GLU A 68 11.371 3.563 16.964 1.00 0.00 H ATOM 1000 HB3 GLU A 68 12.141 4.043 18.495 1.00 0.00 H ATOM 1001 HG2 GLU A 68 10.333 2.966 19.755 1.00 0.00 H ATOM 1002 HG3 GLU A 68 9.535 2.507 18.232 1.00 0.00 H ATOM 1003 H GLU A 68 8.925 4.064 16.814 1.00 0.00 H ATOM 1004 N LEU A 69 11.129 6.323 16.009 1.00 15.41 N ATOM 1005 CA LEU A 69 11.842 7.394 15.337 1.00 13.29 C ATOM 1006 C LEU A 69 11.152 8.676 15.711 1.00 10.53 C ATOM 1007 O LEU A 69 11.795 9.664 15.978 1.00 13.31 O ATOM 1008 CB LEU A 69 11.790 7.222 13.797 1.00 11.98 C ATOM 1009 CG LEU A 69 12.427 8.379 13.056 1.00 19.34 C ATOM 1010 CD1 LEU A 69 13.909 8.528 13.442 1.00 26.64 C ATOM 1011 CD2 LEU A 69 12.246 8.184 11.533 1.00 25.41 C ATOM 1012 HA LEU A 69 12.890 7.390 15.637 1.00 0.00 H ATOM 1013 HB2 LEU A 69 12.316 6.305 13.531 1.00 0.00 H ATOM 1014 HB3 LEU A 69 10.747 7.143 13.490 1.00 0.00 H ATOM 1015 HG LEU A 69 11.930 9.306 13.342 1.00 0.00 H ATOM 1016 HD21 LEU A 69 12.722 7.252 11.228 1.00 0.00 H ATOM 1017 HD22 LEU A 69 11.183 8.144 11.297 1.00 0.00 H ATOM 1018 HD23 LEU A 69 12.706 9.019 11.004 1.00 0.00 H ATOM 1019 HD11 LEU A 69 13.987 8.711 14.514 1.00 0.00 H ATOM 1020 HD12 LEU A 69 14.443 7.612 13.189 1.00 0.00 H ATOM 1021 HD13 LEU A 69 14.343 9.366 12.896 1.00 0.00 H ATOM 1022 H LEU A 69 10.620 5.603 15.457 1.00 0.00 H ATOM 1023 N LEU A 70 9.814 8.674 15.751 1.00 10.35 N ATOM 1024 CA LEU A 70 9.109 9.908 16.121 1.00 15.47 C ATOM 1025 C LEU A 70 9.472 10.335 17.565 1.00 10.60 C ATOM 1026 O LEU A 70 9.603 11.525 17.846 1.00 13.51 O ATOM 1027 CB LEU A 70 7.579 9.753 16.009 1.00 18.66 C ATOM 1028 CG LEU A 70 6.746 10.998 16.326 1.00 11.43 C ATOM 1029 CD1 LEU A 70 6.921 12.112 15.322 1.00 21.51 C ATOM 1030 CD2 LEU A 70 5.241 10.641 16.496 1.00 21.04 C ATOM 1031 HA LEU A 70 9.430 10.677 15.418 1.00 0.00 H ATOM 1032 HB2 LEU A 70 7.349 9.451 14.987 1.00 0.00 H ATOM 1033 HB3 LEU A 70 7.274 8.965 16.697 1.00 0.00 H ATOM 1034 HG LEU A 70 7.128 11.377 17.274 1.00 0.00 H ATOM 1035 HD21 LEU A 70 4.867 10.198 15.573 1.00 0.00 H ATOM 1036 HD22 LEU A 70 5.128 9.929 17.314 1.00 0.00 H ATOM 1037 HD23 LEU A 70 4.677 11.546 16.720 1.00 0.00 H ATOM 1038 HD11 LEU A 70 7.967 12.416 15.298 1.00 0.00 H ATOM 1039 HD12 LEU A 70 6.621 11.760 14.335 1.00 0.00 H ATOM 1040 HD13 LEU A 70 6.301 12.961 15.611 1.00 0.00 H ATOM 1041 H LEU A 70 9.281 7.810 15.523 1.00 0.00 H ATOM 1042 N ASN A 71 9.594 9.379 18.456 1.00 16.74 N ATOM 1043 CA ASN A 71 10.006 9.706 19.830 1.00 18.37 C ATOM 1044 C ASN A 71 11.300 10.513 19.819 1.00 18.99 C ATOM 1045 O ASN A 71 11.412 11.551 20.479 1.00 21.50 O ATOM 1046 CB ASN A 71 10.183 8.441 20.638 1.00 15.34 C ATOM 1047 CG ASN A 71 8.843 7.801 21.040 1.00 13.68 C ATOM 1048 OD1 ASN A 71 7.787 8.382 20.849 1.00 20.16 O ATOM 1049 ND2 ASN A 71 8.905 6.564 21.509 1.00 19.89 N ATOM 1050 HA ASN A 71 9.225 10.310 20.293 1.00 0.00 H ATOM 1051 HB2 ASN A 71 10.748 7.723 20.043 1.00 0.00 H ATOM 1052 HB3 ASN A 71 10.741 8.680 21.543 1.00 0.00 H ATOM 1053 HD22 ASN A 71 9.829 6.109 21.656 1.00 0.00 H ATOM 1054 HD21 ASN A 71 8.030 6.047 21.731 1.00 0.00 H ATOM 1055 H ASN A 71 9.400 8.392 18.191 1.00 0.00 H ATOM 1056 N HIS A 72 12.262 10.066 19.008 1.00 23.02 N ATOM 1057 CA HIS A 72 13.513 10.806 18.855 1.00 16.44 C ATOM 1058 C HIS A 72 13.356 12.171 18.223 1.00 13.93 C ATOM 1059 O HIS A 72 13.928 13.146 18.693 1.00 15.93 O ATOM 1060 CB HIS A 72 14.533 9.951 18.121 1.00 20.56 C ATOM 1061 CG HIS A 72 15.051 8.809 18.940 1.00 24.69 C ATOM 1062 ND1 HIS A 72 15.992 8.977 19.944 1.00 23.81 N ATOM 1063 CD2 HIS A 72 14.764 7.484 18.909 1.00 29.60 C ATOM 1064 CE1 HIS A 72 16.270 7.800 20.480 1.00 21.82 C ATOM 1065 NE2 HIS A 72 15.540 6.877 19.871 1.00 29.76 N ATOM 1066 HA HIS A 72 13.878 11.016 19.861 1.00 0.00 H ATOM 1067 HB2 HIS A 72 14.065 9.548 17.223 1.00 0.00 H ATOM 1068 HB3 HIS A 72 15.375 10.583 17.838 1.00 0.00 H ATOM 1069 HD2 HIS A 72 14.052 6.992 18.246 1.00 0.00 H ATOM 1070 HE1 HIS A 72 16.980 7.620 21.287 1.00 0.00 H ATOM 1071 H HIS A 72 12.120 9.182 18.479 1.00 0.00 H ATOM 1072 N THR A 73 12.588 12.302 17.145 1.00 15.10 N ATOM 1073 CA THR A 73 12.425 13.637 16.567 1.00 9.14 C ATOM 1074 C THR A 73 11.745 14.671 17.462 1.00 16.83 C ATOM 1075 O THR A 73 12.122 15.852 17.459 1.00 14.24 O ATOM 1076 CB THR A 73 11.746 13.558 15.158 1.00 15.44 C ATOM 1077 OG1 THR A 73 10.454 12.954 15.283 1.00 13.11 O ATOM 1078 CG2 THR A 73 12.598 12.687 14.222 1.00 15.40 C ATOM 1079 HA THR A 73 13.442 14.015 16.459 1.00 0.00 H ATOM 1080 HB THR A 73 11.654 14.566 14.752 1.00 0.00 H ATOM 1081 HG1 THR A 73 9.893 13.500 15.890 1.00 0.00 H ATOM 1082 HG23 THR A 73 13.587 13.132 14.114 1.00 0.00 H ATOM 1083 HG21 THR A 73 12.692 11.687 14.644 1.00 0.00 H ATOM 1084 HG22 THR A 73 12.117 12.627 13.246 1.00 0.00 H ATOM 1085 H THR A 73 12.115 11.477 16.723 1.00 0.00 H ATOM 1086 N GLN A 74 10.747 14.250 18.243 1.00 18.35 N ATOM 1087 CA GLN A 74 10.089 15.132 19.212 1.00 15.26 C ATOM 1088 C GLN A 74 11.053 15.569 20.322 1.00 9.38 C ATOM 1089 O GLN A 74 11.077 16.741 20.725 1.00 14.88 O ATOM 1090 CB GLN A 74 8.872 14.421 19.805 1.00 14.65 C ATOM 1091 CG GLN A 74 7.706 14.353 18.827 1.00 25.22 C ATOM 1092 CD GLN A 74 6.509 13.591 19.385 1.00 29.71 C ATOM 1093 OE1 GLN A 74 6.628 12.816 20.346 1.00 27.73 O ATOM 1094 NE2 GLN A 74 5.356 13.793 18.764 1.00 26.65 N ATOM 1095 HA GLN A 74 9.764 16.033 18.692 1.00 0.00 H ATOM 1096 HB2 GLN A 74 9.159 13.406 20.080 1.00 0.00 H ATOM 1097 HB3 GLN A 74 8.551 14.960 20.696 1.00 0.00 H ATOM 1098 HG2 GLN A 74 7.392 15.369 18.588 1.00 0.00 H ATOM 1099 HG3 GLN A 74 8.043 13.855 17.918 1.00 0.00 H ATOM 1100 HE22 GLN A 74 5.306 14.453 17.962 1.00 0.00 H ATOM 1101 HE21 GLN A 74 4.501 13.291 19.078 1.00 0.00 H ATOM 1102 H GLN A 74 10.426 13.264 18.161 1.00 0.00 H ATOM 1103 N ARG A 75 11.881 14.636 20.729 1.00 15.08 N ATOM 1104 CA ARG A 75 12.900 14.874 21.741 1.00 14.30 C ATOM 1105 C ARG A 75 13.904 15.916 21.256 1.00 17.61 C ATOM 1106 O ARG A 75 14.096 16.954 21.903 1.00 18.66 O ATOM 1107 CB ARG A 75 13.561 13.557 22.114 1.00 13.33 C ATOM 1108 CG ARG A 75 14.884 13.768 22.873 1.00 20.52 C ATOM 1109 CD ARG A 75 15.583 12.510 23.269 1.00 21.12 C ATOM 1110 NE ARG A 75 16.158 11.747 22.157 1.00 17.09 N ATOM 1111 CZ ARG A 75 17.153 12.149 21.361 1.00 20.68 C ATOM 1112 NH1 ARG A 75 17.705 13.339 21.494 1.00 17.70 N ATOM 1113 NH2 ARG A 75 17.585 11.348 20.404 1.00 23.58 N ATOM 1114 HA ARG A 75 12.439 15.281 22.641 1.00 0.00 H ATOM 1115 HB2 ARG A 75 12.879 12.988 22.746 1.00 0.00 H ATOM 1116 HB3 ARG A 75 13.764 12.995 21.203 1.00 0.00 H ATOM 1117 HG2 ARG A 75 15.554 14.343 22.234 1.00 0.00 H ATOM 1118 HG3 ARG A 75 14.670 14.337 23.778 1.00 0.00 H ATOM 1119 HD2 ARG A 75 14.865 11.871 23.783 1.00 0.00 H ATOM 1120 HD3 ARG A 75 16.390 12.772 23.953 1.00 0.00 H ATOM 1121 HE ARG A 75 15.754 10.807 21.971 1.00 0.00 H ATOM 1122 HH12 ARG A 75 18.478 13.627 20.861 1.00 0.00 H ATOM 1123 HH11 ARG A 75 17.367 13.989 22.232 1.00 0.00 H ATOM 1124 HH22 ARG A 75 18.359 11.653 19.780 1.00 0.00 H ATOM 1125 HH21 ARG A 75 17.151 10.412 20.274 1.00 0.00 H ATOM 1126 H ARG A 75 11.806 13.687 20.311 1.00 0.00 H ATOM 1127 N ILE A 76 14.432 15.713 20.044 1.00 15.14 N ATOM 1128 CA ILE A 76 15.364 16.678 19.437 1.00 14.82 C ATOM 1129 C ILE A 76 14.738 18.071 19.306 1.00 13.68 C ATOM 1130 O ILE A 76 15.366 19.078 19.631 1.00 19.57 O ATOM 1131 CB ILE A 76 15.848 16.149 18.034 1.00 15.14 C ATOM 1132 CG1 ILE A 76 16.562 14.803 18.225 1.00 15.56 C ATOM 1133 CG2 ILE A 76 16.719 17.218 17.344 1.00 20.42 C ATOM 1134 CD1 ILE A 76 17.076 14.143 16.911 1.00 20.82 C ATOM 1135 HA ILE A 76 16.225 16.775 20.098 1.00 0.00 H ATOM 1136 HB ILE A 76 15.002 15.971 17.370 1.00 0.00 H ATOM 1137 HG12 ILE A 76 17.417 14.963 18.881 1.00 0.00 H ATOM 1138 HG13 ILE A 76 15.865 14.114 18.701 1.00 0.00 H ATOM 1139 HD11 ILE A 76 16.233 13.960 16.244 1.00 0.00 H ATOM 1140 HD12 ILE A 76 17.788 14.810 16.425 1.00 0.00 H ATOM 1141 HD13 ILE A 76 17.565 13.198 17.148 1.00 0.00 H ATOM 1142 HG21 ILE A 76 16.134 18.127 17.205 1.00 0.00 H ATOM 1143 HG22 ILE A 76 17.587 17.435 17.967 1.00 0.00 H ATOM 1144 HG23 ILE A 76 17.050 16.845 16.375 1.00 0.00 H ATOM 1145 H ILE A 76 14.178 14.853 19.518 1.00 0.00 H ATOM 1146 N GLU A 77 13.492 18.155 18.840 1.00 12.73 N ATOM 1147 CA GLU A 77 12.795 19.444 18.767 1.00 12.40 C ATOM 1148 C GLU A 77 12.660 20.132 20.129 1.00 18.07 C ATOM 1149 O GLU A 77 12.684 21.375 20.231 1.00 21.10 O ATOM 1150 CB GLU A 77 11.373 19.258 18.217 1.00 14.34 C ATOM 1151 CG GLU A 77 11.258 18.833 16.757 1.00 25.85 C ATOM 1152 CD GLU A 77 9.794 18.648 16.303 1.00 29.74 C ATOM 1153 OE1 GLU A 77 8.958 18.150 17.093 1.00 24.59 O ATOM 1154 OE2 GLU A 77 9.470 19.003 15.144 1.00 21.43 O ATOM 1155 HA GLU A 77 13.404 20.066 18.111 1.00 0.00 H ATOM 1156 HB2 GLU A 77 10.880 18.498 18.823 1.00 0.00 H ATOM 1157 HB3 GLU A 77 10.848 20.207 18.328 1.00 0.00 H ATOM 1158 HG2 GLU A 77 11.723 19.597 16.134 1.00 0.00 H ATOM 1159 HG3 GLU A 77 11.786 17.888 16.626 1.00 0.00 H ATOM 1160 H GLU A 77 13.006 17.292 18.523 1.00 0.00 H ATOM 1161 N LEU A 78 12.452 19.321 21.159 1.00 19.37 N ATOM 1162 CA LEU A 78 12.334 19.834 22.531 1.00 24.72 C ATOM 1163 C LEU A 78 13.696 20.303 23.011 1.00 17.76 C ATOM 1164 O LEU A 78 13.832 21.401 23.546 1.00 29.69 O ATOM 1165 CB LEU A 78 11.826 18.741 23.477 1.00 26.36 C ATOM 1166 CG LEU A 78 10.313 18.568 23.510 1.00 18.15 C ATOM 1167 CD1 LEU A 78 9.980 17.344 24.284 1.00 19.37 C ATOM 1168 CD2 LEU A 78 9.588 19.829 24.049 1.00 22.74 C ATOM 1169 HA LEU A 78 11.625 20.662 22.531 1.00 0.00 H ATOM 1170 HB2 LEU A 78 12.268 17.794 23.168 1.00 0.00 H ATOM 1171 HB3 LEU A 78 12.161 18.984 24.485 1.00 0.00 H ATOM 1172 HG LEU A 78 9.949 18.444 22.490 1.00 0.00 H ATOM 1173 HD21 LEU A 78 9.927 20.035 25.064 1.00 0.00 H ATOM 1174 HD22 LEU A 78 9.817 20.680 23.408 1.00 0.00 H ATOM 1175 HD23 LEU A 78 8.512 19.654 24.052 1.00 0.00 H ATOM 1176 HD11 LEU A 78 10.438 16.478 23.807 1.00 0.00 H ATOM 1177 HD12 LEU A 78 10.360 17.444 25.301 1.00 0.00 H ATOM 1178 HD13 LEU A 78 8.898 17.216 24.311 1.00 0.00 H ATOM 1179 H LEU A 78 12.371 18.298 20.991 1.00 0.00 H ATOM 1180 N GLN A 79 14.704 19.470 22.813 1.00 24.76 N ATOM 1181 CA GLN A 79 16.062 19.795 23.262 1.00 24.53 C ATOM 1182 C GLN A 79 16.686 20.971 22.475 1.00 40.67 C ATOM 1183 O GLN A 79 17.356 21.827 23.067 1.00 32.99 O ATOM 1184 CB GLN A 79 16.927 18.544 23.200 1.00 19.09 C ATOM 1185 CG GLN A 79 16.465 17.454 24.130 1.00 25.76 C ATOM 1186 CD GLN A 79 17.264 16.179 24.004 1.00 23.17 C ATOM 1187 OE1 GLN A 79 17.669 15.793 22.907 1.00 26.51 O ATOM 1188 NE2 GLN A 79 17.500 15.501 25.135 1.00 21.09 N ATOM 1189 HA GLN A 79 16.007 20.137 24.296 1.00 0.00 H ATOM 1190 HB2 GLN A 79 16.908 18.160 22.180 1.00 0.00 H ATOM 1191 HB3 GLN A 79 17.949 18.816 23.466 1.00 0.00 H ATOM 1192 HG2 GLN A 79 16.550 17.815 25.155 1.00 0.00 H ATOM 1193 HG3 GLN A 79 15.421 17.231 23.910 1.00 0.00 H ATOM 1194 HE22 GLN A 79 17.140 15.861 26.042 1.00 0.00 H ATOM 1195 HE21 GLN A 79 18.043 14.614 25.106 1.00 0.00 H ATOM 1196 H GLN A 79 14.530 18.566 22.329 1.00 0.00 H ATOM 1197 N GLN A 80 16.419 21.045 21.164 1.00 33.35 N ATOM 1198 CA GLN A 80 17.033 22.057 20.296 1.00 28.06 C ATOM 1199 C GLN A 80 16.126 23.234 19.943 1.00 43.32 C ATOM 1200 O GLN A 80 16.614 24.244 19.442 1.00 49.27 O ATOM 1201 CB GLN A 80 17.517 21.439 18.972 1.00 24.80 C ATOM 1202 CG GLN A 80 18.384 20.204 19.088 1.00 25.82 C ATOM 1203 CD GLN A 80 19.771 20.500 19.581 1.00 42.00 C ATOM 1204 OE1 GLN A 80 20.192 21.660 19.630 1.00 33.84 O ATOM 1205 NE2 GLN A 80 20.493 19.449 19.966 1.00 45.19 N ATOM 1206 HA GLN A 80 17.863 22.438 20.891 1.00 0.00 H ATOM 1207 HB2 GLN A 80 16.636 21.174 18.387 1.00 0.00 H ATOM 1208 HB3 GLN A 80 18.090 22.199 18.440 1.00 0.00 H ATOM 1209 HG2 GLN A 80 17.909 19.511 19.783 1.00 0.00 H ATOM 1210 HG3 GLN A 80 18.457 19.738 18.105 1.00 0.00 H ATOM 1211 HE22 GLN A 80 20.091 18.492 19.905 1.00 0.00 H ATOM 1212 HE21 GLN A 80 21.458 19.586 20.328 1.00 0.00 H ATOM 1213 H GLN A 80 15.754 20.362 20.747 1.00 0.00 H ATOM 1214 N GLY A 81 14.818 23.111 20.180 1.00 52.17 N ATOM 1215 CA GLY A 81 13.869 24.151 19.800 1.00 39.15 C ATOM 1216 C GLY A 81 13.195 24.851 20.972 1.00 48.10 C ATOM 1217 O GLY A 81 13.692 24.776 22.096 1.00 54.71 O ATOM 1218 HA3 GLY A 81 13.094 23.696 19.184 1.00 0.00 H ATOM 1219 HA2 GLY A 81 14.402 24.901 19.216 1.00 0.00 H ATOM 1220 H GLY A 81 14.467 22.251 20.648 1.00 0.00 H ATOM 1221 N ARG A 82 12.085 25.550 20.706 1.00 65.09 N ATOM 1222 CA ARG A 82 11.307 26.235 21.756 1.00 38.98 C ATOM 1223 C ARG A 82 9.943 26.745 21.276 1.00 44.61 C ATOM 1224 O ARG A 82 9.804 27.257 20.163 1.00 43.76 O ATOM 1225 CB ARG A 82 12.104 27.398 22.355 1.00 43.39 C ATOM 1226 CG ARG A 82 12.242 28.609 21.443 1.00 52.59 C ATOM 1227 CD ARG A 82 12.185 29.909 22.231 1.00 55.49 C ATOM 1228 NE ARG A 82 12.111 31.081 21.363 1.00 47.62 N ATOM 1229 CZ ARG A 82 10.994 31.526 20.786 1.00 54.67 C ATOM 1230 NH1 ARG A 82 9.838 30.889 20.963 1.00 62.01 N ATOM 1231 NH2 ARG A 82 11.037 32.608 20.014 1.00 44.00 N ATOM 1232 HA ARG A 82 11.117 25.480 22.519 1.00 0.00 H ATOM 1233 HB2 ARG A 82 11.605 27.717 23.270 1.00 0.00 H ATOM 1234 HB3 ARG A 82 13.104 27.037 22.595 1.00 0.00 H ATOM 1235 HG2 ARG A 82 13.197 28.553 20.921 1.00 0.00 H ATOM 1236 HG3 ARG A 82 11.430 28.599 20.716 1.00 0.00 H ATOM 1237 HD2 ARG A 82 13.081 29.985 22.847 1.00 0.00 H ATOM 1238 HD3 ARG A 82 11.304 29.892 22.873 1.00 0.00 H ATOM 1239 HE ARG A 82 12.991 31.605 21.182 1.00 0.00 H ATOM 1240 HH12 ARG A 82 8.973 31.245 20.508 1.00 0.00 H ATOM 1241 HH11 ARG A 82 9.800 30.036 21.556 1.00 0.00 H ATOM 1242 HH22 ARG A 82 10.169 32.959 19.562 1.00 0.00 H ATOM 1243 HH21 ARG A 82 11.939 33.103 19.862 1.00 0.00 H ATOM 1244 H ARG A 82 11.758 25.613 19.721 1.00 0.00 H TER 1245 ARG A 82 ATOM 1246 N GLU A 87 3.922 30.565 17.547 1.00 65.62 N ATOM 1247 CA GLU A 87 4.214 29.198 17.122 1.00 71.63 C ATOM 1248 C GLU A 87 3.557 28.830 15.786 1.00 80.29 C ATOM 1249 O GLU A 87 4.262 28.531 14.819 1.00 75.81 O ATOM 1250 CB GLU A 87 3.769 28.201 18.196 1.00 82.32 C ATOM 1251 CG GLU A 87 4.151 26.751 17.892 1.00 79.31 C ATOM 1252 CD GLU A 87 2.947 25.821 17.750 1.00 86.54 C ATOM 1253 OE1 GLU A 87 1.800 26.322 17.721 1.00 87.44 O ATOM 1254 OE2 GLU A 87 3.151 24.585 17.667 1.00 83.12 O ATOM 1255 HA GLU A 87 5.293 29.145 16.980 1.00 0.00 H ATOM 1256 HB2 GLU A 87 4.230 28.487 19.142 1.00 0.00 H ATOM 1257 HB3 GLU A 87 2.685 28.258 18.290 1.00 0.00 H ATOM 1258 HG2 GLU A 87 4.715 26.731 16.960 1.00 0.00 H ATOM 1259 HG3 GLU A 87 4.779 26.382 18.703 1.00 0.00 H ATOM 1260 HN3 GLU A 87 2.894 30.680 17.658 1.00 0.00 H ATOM 1261 HN2 GLU A 87 4.271 31.232 16.829 1.00 0.00 H ATOM 1262 HN1 GLU A 87 4.393 30.753 18.455 1.00 0.00 H ATOM 1263 N ARG A 88 2.220 28.872 15.734 1.00 81.72 N ATOM 1264 CA ARG A 88 1.443 28.253 14.640 1.00 77.98 C ATOM 1265 C ARG A 88 1.866 28.623 13.211 1.00 74.02 C ATOM 1266 O ARG A 88 2.345 27.756 12.474 1.00 87.68 O ATOM 1267 CB ARG A 88 -0.062 28.492 14.803 1.00 80.39 C ATOM 1268 CG ARG A 88 -0.865 28.090 13.560 1.00 78.19 C ATOM 1269 CD ARG A 88 -2.234 27.517 13.909 1.00 81.68 C ATOM 1270 NE ARG A 88 -3.094 28.526 14.519 1.00 81.97 N ATOM 1271 CZ ARG A 88 -3.953 29.289 13.849 1.00 81.28 C ATOM 1272 NH1 ARG A 88 -4.098 29.163 12.538 1.00 76.13 N ATOM 1273 NH2 ARG A 88 -4.682 30.190 14.494 1.00 81.56 N ATOM 1274 HA ARG A 88 1.678 27.194 14.749 1.00 0.00 H ATOM 1275 HB2 ARG A 88 -0.418 27.908 15.652 1.00 0.00 H ATOM 1276 HB3 ARG A 88 -0.228 29.552 14.997 1.00 0.00 H ATOM 1277 HG2 ARG A 88 -1.004 28.971 12.933 1.00 0.00 H ATOM 1278 HG3 ARG A 88 -0.302 27.338 13.008 1.00 0.00 H ATOM 1279 HD2 ARG A 88 -2.105 26.691 14.608 1.00 0.00 H ATOM 1280 HD3 ARG A 88 -2.708 27.150 12.998 1.00 0.00 H ATOM 1281 HE ARG A 88 -3.031 28.658 15.549 1.00 0.00 H ATOM 1282 HH12 ARG A 88 -4.774 29.768 12.029 1.00 0.00 H ATOM 1283 HH11 ARG A 88 -3.536 28.460 12.018 1.00 0.00 H ATOM 1284 HH22 ARG A 88 -5.354 30.787 13.970 1.00 0.00 H ATOM 1285 HH21 ARG A 88 -4.582 30.300 15.523 1.00 0.00 H ATOM 1286 H ARG A 88 1.707 29.361 16.495 1.00 0.00 H ATOM 1287 N TRP A 89 1.675 29.877 12.803 1.00 67.63 N ATOM 1288 CA TRP A 89 2.127 30.294 11.470 1.00 68.81 C ATOM 1289 C TRP A 89 3.553 30.846 11.516 1.00 60.51 C ATOM 1290 O TRP A 89 3.916 31.729 10.732 1.00 46.32 O ATOM 1291 CB TRP A 89 1.182 31.326 10.847 1.00 61.86 C ATOM 1292 CG TRP A 89 -0.152 30.763 10.453 1.00 73.88 C ATOM 1293 CD1 TRP A 89 -1.379 31.224 10.836 1.00 76.66 C ATOM 1294 CD2 TRP A 89 -0.396 29.630 9.603 1.00 72.26 C ATOM 1295 NE1 TRP A 89 -2.370 30.455 10.276 1.00 80.34 N ATOM 1296 CE2 TRP A 89 -1.796 29.468 9.519 1.00 70.86 C ATOM 1297 CE3 TRP A 89 0.430 28.740 8.906 1.00 69.69 C ATOM 1298 CZ2 TRP A 89 -2.387 28.455 8.764 1.00 55.90 C ATOM 1299 CZ3 TRP A 89 -0.159 27.733 8.161 1.00 72.42 C ATOM 1300 CH2 TRP A 89 -1.555 27.599 8.096 1.00 75.26 C ATOM 1301 HA TRP A 89 2.118 29.404 10.840 1.00 0.00 H ATOM 1302 HB2 TRP A 89 1.019 32.124 11.571 1.00 0.00 H ATOM 1303 HB3 TRP A 89 1.659 31.736 9.957 1.00 0.00 H ATOM 1304 HE1 TRP A 89 -3.392 30.599 10.406 1.00 0.00 H ATOM 1305 HD1 TRP A 89 -1.548 32.079 11.491 1.00 0.00 H ATOM 1306 HZ2 TRP A 89 -3.470 28.349 8.708 1.00 0.00 H ATOM 1307 HH2 TRP A 89 -1.986 26.795 7.500 1.00 0.00 H ATOM 1308 HZ3 TRP A 89 0.472 27.032 7.615 1.00 0.00 H ATOM 1309 HE3 TRP A 89 1.515 28.838 8.949 1.00 0.00 H ATOM 1310 H TRP A 89 1.205 30.561 13.430 1.00 0.00 H ATOM 1311 N GLY A 90 4.354 30.311 12.435 1.00 58.53 N ATOM 1312 CA GLY A 90 5.715 30.765 12.637 1.00 62.50 C ATOM 1313 C GLY A 90 5.744 31.872 13.666 1.00 62.39 C ATOM 1314 O GLY A 90 4.713 32.501 13.914 1.00 36.84 O ATOM 1315 HA3 GLY A 90 6.115 31.138 11.694 1.00 0.00 H ATOM 1316 HA2 GLY A 90 6.326 29.932 12.985 1.00 0.00 H ATOM 1317 H GLY A 90 3.990 29.539 13.029 1.00 0.00 H ATOM 1318 N PRO A 91 6.926 32.134 14.257 1.00 67.88 N ATOM 1319 CA PRO A 91 8.211 31.460 13.994 1.00 57.81 C ATOM 1320 C PRO A 91 8.338 30.025 14.542 1.00 56.34 C ATOM 1321 O PRO A 91 7.609 29.619 15.459 1.00 53.66 O ATOM 1322 CB PRO A 91 9.244 32.378 14.679 1.00 57.36 C ATOM 1323 CG PRO A 91 8.551 33.687 14.858 1.00 59.66 C ATOM 1324 CD PRO A 91 7.105 33.347 15.073 1.00 53.14 C ATOM 1325 HA PRO A 91 8.342 31.327 12.920 1.00 0.00 H ATOM 1326 HD3 PRO A 91 6.902 33.146 16.125 1.00 0.00 H ATOM 1327 HD2 PRO A 91 6.457 34.152 14.726 1.00 0.00 H ATOM 1328 HG3 PRO A 91 8.669 34.306 13.969 1.00 0.00 H ATOM 1329 HG2 PRO A 91 8.951 34.216 15.723 1.00 0.00 H ATOM 1330 HB2 PRO A 91 9.539 31.967 15.644 1.00 0.00 H ATOM 1331 HB3 PRO A 91 10.127 32.496 14.050 1.00 0.00 H ATOM 1332 N ARG A 92 9.287 29.281 13.967 1.00 42.72 N ATOM 1333 CA ARG A 92 9.516 27.867 14.282 1.00 39.64 C ATOM 1334 C ARG A 92 10.993 27.639 14.562 1.00 55.05 C ATOM 1335 O ARG A 92 11.812 27.570 13.644 1.00 44.74 O ATOM 1336 CB ARG A 92 9.127 26.992 13.097 1.00 42.37 C ATOM 1337 CG ARG A 92 7.748 27.287 12.543 1.00 43.00 C ATOM 1338 CD ARG A 92 6.683 27.024 13.554 1.00 37.66 C ATOM 1339 NE ARG A 92 6.704 25.637 14.019 1.00 62.35 N ATOM 1340 CZ ARG A 92 5.716 25.055 14.694 1.00 68.71 C ATOM 1341 NH1 ARG A 92 4.611 25.735 14.975 1.00 72.83 N ATOM 1342 NH2 ARG A 92 5.825 23.786 15.074 1.00 46.18 N ATOM 1343 HA ARG A 92 8.913 27.609 15.153 1.00 0.00 H ATOM 1344 HB2 ARG A 92 9.857 27.146 12.302 1.00 0.00 H ATOM 1345 HB3 ARG A 92 9.153 25.950 13.416 1.00 0.00 H ATOM 1346 HG2 ARG A 92 7.703 28.335 12.245 1.00 0.00 H ATOM 1347 HG3 ARG A 92 7.574 26.655 11.672 1.00 0.00 H ATOM 1348 HD2 ARG A 92 5.712 27.231 13.105 1.00 0.00 H ATOM 1349 HD3 ARG A 92 6.836 27.685 14.407 1.00 0.00 H ATOM 1350 HE ARG A 92 7.548 25.067 13.808 1.00 0.00 H ATOM 1351 HH12 ARG A 92 3.840 25.279 15.503 1.00 0.00 H ATOM 1352 HH11 ARG A 92 4.517 26.724 14.667 1.00 0.00 H ATOM 1353 HH22 ARG A 92 5.052 23.333 15.602 1.00 0.00 H ATOM 1354 HH21 ARG A 92 6.684 23.246 14.844 1.00 0.00 H ATOM 1355 H ARG A 92 9.898 29.730 13.255 1.00 0.00 H ATOM 1356 N THR A 93 11.344 27.506 15.825 1.00 37.37 N ATOM 1357 CA THR A 93 12.740 27.324 16.157 1.00 40.39 C ATOM 1358 C THR A 93 13.289 26.070 15.461 1.00 31.47 C ATOM 1359 O THR A 93 14.435 26.070 14.979 1.00 39.20 O ATOM 1360 CB THR A 93 12.930 27.256 17.672 1.00 24.89 C ATOM 1361 OG1 THR A 93 12.563 28.521 18.239 1.00 38.71 O ATOM 1362 CG2 THR A 93 14.373 26.959 18.027 1.00 48.24 C ATOM 1363 HA THR A 93 13.305 28.184 15.796 1.00 0.00 H ATOM 1364 HB THR A 93 12.304 26.456 18.068 1.00 0.00 H ATOM 1365 HG1 THR A 93 12.682 28.488 19.221 1.00 0.00 H ATOM 1366 HG23 THR A 93 14.661 25.998 17.600 1.00 0.00 H ATOM 1367 HG21 THR A 93 15.014 27.744 17.625 1.00 0.00 H ATOM 1368 HG22 THR A 93 14.479 26.922 19.111 1.00 0.00 H ATOM 1369 H THR A 93 10.625 27.532 16.576 1.00 0.00 H ATOM 1370 N LEU A 94 12.477 25.016 15.389 1.00 24.23 N ATOM 1371 CA LEU A 94 12.917 23.765 14.763 1.00 20.08 C ATOM 1372 C LEU A 94 11.827 22.718 14.576 1.00 30.56 C ATOM 1373 O LEU A 94 11.328 22.127 15.538 1.00 21.81 O ATOM 1374 CB LEU A 94 14.083 23.148 15.525 1.00 15.16 C ATOM 1375 CG LEU A 94 14.638 21.859 14.913 1.00 20.31 C ATOM 1376 CD1 LEU A 94 15.422 22.205 13.604 1.00 24.27 C ATOM 1377 CD2 LEU A 94 15.502 21.101 15.881 1.00 23.14 C ATOM 1378 HA LEU A 94 13.229 24.063 13.762 1.00 0.00 H ATOM 1379 HB2 LEU A 94 14.889 23.880 15.563 1.00 0.00 H ATOM 1380 HB3 LEU A 94 13.747 22.926 16.538 1.00 0.00 H ATOM 1381 HG LEU A 94 13.801 21.204 14.670 1.00 0.00 H ATOM 1382 HD21 LEU A 94 16.344 21.725 16.181 1.00 0.00 H ATOM 1383 HD22 LEU A 94 14.914 20.835 16.760 1.00 0.00 H ATOM 1384 HD23 LEU A 94 15.873 20.195 15.402 1.00 0.00 H ATOM 1385 HD11 LEU A 94 14.748 22.686 12.895 1.00 0.00 H ATOM 1386 HD12 LEU A 94 16.244 22.880 13.842 1.00 0.00 H ATOM 1387 HD13 LEU A 94 15.818 21.289 13.166 1.00 0.00 H ATOM 1388 H LEU A 94 11.517 25.082 15.783 1.00 0.00 H ATOM 1389 N ASP A 95 11.485 22.461 13.314 1.00 16.77 N ATOM 1390 CA ASP A 95 10.602 21.338 13.011 1.00 19.31 C ATOM 1391 C ASP A 95 11.300 20.182 12.350 1.00 19.50 C ATOM 1392 O ASP A 95 12.139 20.359 11.465 1.00 18.45 O ATOM 1393 CB ASP A 95 9.470 21.822 12.119 1.00 23.23 C ATOM 1394 CG ASP A 95 8.736 22.962 12.725 1.00 28.82 C ATOM 1395 OD1 ASP A 95 8.231 22.795 13.868 1.00 31.98 O ATOM 1396 OD2 ASP A 95 8.700 24.034 12.088 1.00 31.18 O ATOM 1397 HA ASP A 95 10.225 20.967 13.964 1.00 0.00 H ATOM 1398 HB2 ASP A 95 9.886 22.139 11.162 1.00 0.00 H ATOM 1399 HB3 ASP A 95 8.773 21.000 11.957 1.00 0.00 H ATOM 1400 H ASP A 95 11.847 23.060 12.545 1.00 0.00 H ATOM 1401 N LEU A 96 10.958 18.992 12.799 1.00 13.84 N ATOM 1402 CA LEU A 96 11.361 17.762 12.147 1.00 17.90 C ATOM 1403 C LEU A 96 10.120 16.975 11.780 1.00 28.59 C ATOM 1404 O LEU A 96 9.370 16.562 12.653 1.00 24.52 O ATOM 1405 CB LEU A 96 12.242 16.940 13.066 1.00 18.29 C ATOM 1406 CG LEU A 96 13.552 17.631 13.432 1.00 20.72 C ATOM 1407 CD1 LEU A 96 14.153 16.928 14.627 1.00 24.29 C ATOM 1408 CD2 LEU A 96 14.533 17.619 12.259 1.00 22.38 C ATOM 1409 HA LEU A 96 11.931 17.998 11.248 1.00 0.00 H ATOM 1410 HB2 LEU A 96 11.690 16.738 13.984 1.00 0.00 H ATOM 1411 HB3 LEU A 96 12.475 15.998 12.569 1.00 0.00 H ATOM 1412 HG LEU A 96 13.349 18.674 13.675 1.00 0.00 H ATOM 1413 HD21 LEU A 96 14.750 16.588 11.979 1.00 0.00 H ATOM 1414 HD22 LEU A 96 14.090 18.141 11.411 1.00 0.00 H ATOM 1415 HD23 LEU A 96 15.456 18.119 12.553 1.00 0.00 H ATOM 1416 HD11 LEU A 96 13.459 16.981 15.465 1.00 0.00 H ATOM 1417 HD12 LEU A 96 14.342 15.884 14.376 1.00 0.00 H ATOM 1418 HD13 LEU A 96 15.091 17.413 14.899 1.00 0.00 H ATOM 1419 H LEU A 96 10.374 18.932 13.658 1.00 0.00 H ATOM 1420 N ASP A 97 9.890 16.772 10.488 1.00 16.31 N ATOM 1421 CA ASP A 97 8.704 16.060 10.016 1.00 14.82 C ATOM 1422 C ASP A 97 9.130 14.813 9.310 1.00 17.91 C ATOM 1423 O ASP A 97 9.997 14.873 8.440 1.00 24.92 O ATOM 1424 CB ASP A 97 7.915 16.951 9.066 1.00 19.58 C ATOM 1425 CG ASP A 97 7.288 18.108 9.773 1.00 31.86 C ATOM 1426 OD1 ASP A 97 6.938 17.918 10.952 1.00 39.58 O ATOM 1427 OD2 ASP A 97 7.140 19.187 9.163 1.00 47.26 O ATOM 1428 HA ASP A 97 8.070 15.799 10.863 1.00 0.00 H ATOM 1429 HB2 ASP A 97 8.589 17.331 8.298 1.00 0.00 H ATOM 1430 HB3 ASP A 97 7.130 16.358 8.597 1.00 0.00 H ATOM 1431 H ASP A 97 10.574 17.130 9.791 1.00 0.00 H ATOM 1432 N ILE A 98 8.550 13.685 9.689 1.00 12.86 N ATOM 1433 CA ILE A 98 8.785 12.440 8.995 1.00 13.52 C ATOM 1434 C ILE A 98 7.929 12.471 7.732 1.00 20.02 C ATOM 1435 O ILE A 98 6.705 12.481 7.803 1.00 16.50 O ATOM 1436 CB ILE A 98 8.454 11.251 9.869 1.00 15.11 C ATOM 1437 CG1 ILE A 98 9.274 11.272 11.158 1.00 20.39 C ATOM 1438 CG2 ILE A 98 8.673 9.937 9.151 1.00 12.34 C ATOM 1439 CD1 ILE A 98 8.865 10.176 12.089 1.00 21.91 C ATOM 1440 HA ILE A 98 9.839 12.333 8.737 1.00 0.00 H ATOM 1441 HB ILE A 98 7.395 11.331 10.114 1.00 0.00 H ATOM 1442 HG12 ILE A 98 10.328 11.150 10.909 1.00 0.00 H ATOM 1443 HG13 ILE A 98 9.128 12.231 11.655 1.00 0.00 H ATOM 1444 HD11 ILE A 98 7.813 10.295 12.348 1.00 0.00 H ATOM 1445 HD12 ILE A 98 9.014 9.212 11.602 1.00 0.00 H ATOM 1446 HD13 ILE A 98 9.471 10.225 12.994 1.00 0.00 H ATOM 1447 HG21 ILE A 98 8.036 9.897 8.267 1.00 0.00 H ATOM 1448 HG22 ILE A 98 9.718 9.858 8.851 1.00 0.00 H ATOM 1449 HG23 ILE A 98 8.422 9.113 9.819 1.00 0.00 H ATOM 1450 H ILE A 98 7.909 13.695 10.508 1.00 0.00 H ATOM 1451 N MET A 99 8.567 12.555 6.571 1.00 11.33 N ATOM 1452 CA MET A 99 7.824 12.659 5.316 1.00 16.81 C ATOM 1453 C MET A 99 7.430 11.290 4.859 1.00 15.01 C ATOM 1454 O MET A 99 6.241 11.028 4.506 1.00 16.29 O ATOM 1455 CB MET A 99 8.664 13.378 4.261 1.00 9.87 C ATOM 1456 CG MET A 99 8.657 14.845 4.426 1.00 15.15 C ATOM 1457 SD MET A 99 9.482 15.792 3.114 1.00 16.15 S ATOM 1458 CE MET A 99 11.171 15.213 3.319 1.00 22.30 C ATOM 1459 HA MET A 99 6.919 13.246 5.473 1.00 0.00 H ATOM 1460 HB2 MET A 99 9.692 13.024 4.334 1.00 0.00 H ATOM 1461 HB3 MET A 99 8.267 13.136 3.275 1.00 0.00 H ATOM 1462 HG2 MET A 99 9.152 15.078 5.369 1.00 0.00 H ATOM 1463 HG3 MET A 99 7.618 15.172 4.472 1.00 0.00 H ATOM 1464 HE1 MET A 99 11.517 15.455 4.324 1.00 0.00 H ATOM 1465 HE2 MET A 99 11.204 14.133 3.172 1.00 0.00 H ATOM 1466 HE3 MET A 99 11.812 15.700 2.585 1.00 0.00 H ATOM 1467 H MET A 99 9.607 12.547 6.554 1.00 0.00 H ATOM 1468 N LEU A 100 8.432 10.412 4.806 1.00 15.64 N ATOM 1469 CA LEU A 100 8.235 9.011 4.461 1.00 8.96 C ATOM 1470 C LEU A 100 8.966 8.077 5.403 1.00 15.51 C ATOM 1471 O LEU A 100 10.026 8.404 5.954 1.00 15.35 O ATOM 1472 CB LEU A 100 8.778 8.681 3.059 1.00 20.18 C ATOM 1473 CG LEU A 100 8.058 9.094 1.774 1.00 18.92 C ATOM 1474 CD1 LEU A 100 6.530 9.204 1.950 1.00 10.94 C ATOM 1475 CD2 LEU A 100 8.685 10.356 1.260 1.00 11.09 C ATOM 1476 HA LEU A 100 7.156 8.865 4.519 1.00 0.00 H ATOM 1477 HB2 LEU A 100 9.770 9.130 3.006 1.00 0.00 H ATOM 1478 HB3 LEU A 100 8.869 7.596 3.018 1.00 0.00 H ATOM 1479 HG LEU A 100 8.183 8.309 1.028 1.00 0.00 H ATOM 1480 HD21 LEU A 100 8.587 11.141 2.010 1.00 0.00 H ATOM 1481 HD22 LEU A 100 9.741 10.178 1.054 1.00 0.00 H ATOM 1482 HD23 LEU A 100 8.182 10.663 0.343 1.00 0.00 H ATOM 1483 HD11 LEU A 100 6.131 8.238 2.259 1.00 0.00 H ATOM 1484 HD12 LEU A 100 6.306 9.951 2.711 1.00 0.00 H ATOM 1485 HD13 LEU A 100 6.077 9.500 1.004 1.00 0.00 H ATOM 1486 H LEU A 100 9.395 10.742 5.020 1.00 0.00 H ATOM 1487 N PHE A 101 8.442 6.883 5.527 1.00 10.59 N ATOM 1488 CA PHE A 101 9.105 5.876 6.317 1.00 21.15 C ATOM 1489 C PHE A 101 9.121 4.605 5.518 1.00 17.24 C ATOM 1490 O PHE A 101 8.158 3.825 5.513 1.00 21.44 O ATOM 1491 CB PHE A 101 8.421 5.655 7.683 1.00 17.23 C ATOM 1492 CG PHE A 101 9.227 4.804 8.609 1.00 18.24 C ATOM 1493 CD1 PHE A 101 9.126 3.413 8.555 1.00 13.92 C ATOM 1494 CD2 PHE A 101 10.135 5.374 9.498 1.00 15.73 C ATOM 1495 CE1 PHE A 101 9.876 2.608 9.398 1.00 25.62 C ATOM 1496 CE2 PHE A 101 10.892 4.565 10.334 1.00 13.67 C ATOM 1497 CZ PHE A 101 10.764 3.185 10.276 1.00 23.42 C ATOM 1498 HA PHE A 101 10.120 6.207 6.539 1.00 0.00 H ATOM 1499 HB2 PHE A 101 8.262 6.625 8.153 1.00 0.00 H ATOM 1500 HB3 PHE A 101 7.459 5.171 7.516 1.00 0.00 H ATOM 1501 HD2 PHE A 101 10.251 6.457 9.537 1.00 0.00 H ATOM 1502 HE2 PHE A 101 11.590 5.016 11.039 1.00 0.00 H ATOM 1503 HZ PHE A 101 11.369 2.556 10.928 1.00 0.00 H ATOM 1504 HE1 PHE A 101 9.763 1.524 9.365 1.00 0.00 H ATOM 1505 HD1 PHE A 101 8.446 2.952 7.838 1.00 0.00 H ATOM 1506 H PHE A 101 7.543 6.660 5.053 1.00 0.00 H ATOM 1507 N GLY A 102 10.228 4.370 4.806 1.00 16.29 N ATOM 1508 CA GLY A 102 10.254 3.267 3.865 1.00 20.88 C ATOM 1509 C GLY A 102 9.013 3.339 2.981 1.00 15.03 C ATOM 1510 O GLY A 102 8.624 4.418 2.551 1.00 17.91 O ATOM 1511 HA3 GLY A 102 10.261 2.322 4.409 1.00 0.00 H ATOM 1512 HA2 GLY A 102 11.149 3.335 3.246 1.00 0.00 H ATOM 1513 H GLY A 102 11.066 4.975 4.926 1.00 0.00 H ATOM 1514 N ASN A 103 8.378 2.205 2.731 1.00 15.64 N ATOM 1515 CA ASN A 103 7.147 2.202 1.932 1.00 18.11 C ATOM 1516 C ASN A 103 5.897 2.145 2.806 1.00 21.41 C ATOM 1517 O ASN A 103 4.792 1.928 2.313 1.00 15.01 O ATOM 1518 CB ASN A 103 7.123 1.023 0.965 1.00 22.54 C ATOM 1519 CG ASN A 103 6.155 1.234 -0.189 1.00 20.95 C ATOM 1520 OD1 ASN A 103 6.098 2.318 -0.774 1.00 17.88 O ATOM 1521 ND2 ASN A 103 5.388 0.208 -0.510 1.00 23.24 N ATOM 1522 HA ASN A 103 7.142 3.138 1.373 1.00 0.00 H ATOM 1523 HB2 ASN A 103 8.125 0.883 0.560 1.00 0.00 H ATOM 1524 HB3 ASN A 103 6.825 0.128 1.512 1.00 0.00 H ATOM 1525 HD22 ASN A 103 5.472 -0.687 0.012 1.00 0.00 H ATOM 1526 HD21 ASN A 103 4.700 0.295 -1.285 1.00 0.00 H ATOM 1527 H ASN A 103 8.754 1.310 3.103 1.00 0.00 H ATOM 1528 N GLU A 104 6.056 2.353 4.104 1.00 19.91 N ATOM 1529 CA GLU A 104 4.946 2.083 4.988 1.00 21.78 C ATOM 1530 C GLU A 104 3.907 3.218 4.992 1.00 14.37 C ATOM 1531 O GLU A 104 4.186 4.421 4.739 1.00 14.20 O ATOM 1532 CB GLU A 104 5.461 1.649 6.368 1.00 23.02 C ATOM 1533 CG GLU A 104 6.002 0.212 6.282 1.00 24.73 C ATOM 1534 CD GLU A 104 7.072 -0.114 7.275 1.00 29.77 C ATOM 1535 OE1 GLU A 104 7.601 0.817 7.906 1.00 28.17 O ATOM 1536 OE2 GLU A 104 7.393 -1.316 7.410 1.00 39.20 O ATOM 1537 HA GLU A 104 4.379 1.234 4.605 1.00 0.00 H ATOM 1538 HB2 GLU A 104 6.259 2.320 6.686 1.00 0.00 H ATOM 1539 HB3 GLU A 104 4.645 1.688 7.090 1.00 0.00 H ATOM 1540 HG2 GLU A 104 5.170 -0.474 6.441 1.00 0.00 H ATOM 1541 HG3 GLU A 104 6.409 0.062 5.282 1.00 0.00 H ATOM 1542 H GLU A 104 6.961 2.703 4.479 1.00 0.00 H ATOM 1543 N VAL A 105 2.663 2.794 5.215 1.00 20.71 N ATOM 1544 CA VAL A 105 1.558 3.715 5.352 1.00 14.46 C ATOM 1545 C VAL A 105 1.041 3.687 6.792 1.00 15.18 C ATOM 1546 O VAL A 105 0.700 2.645 7.324 1.00 18.00 O ATOM 1547 CB VAL A 105 0.398 3.356 4.395 1.00 20.60 C ATOM 1548 CG1 VAL A 105 -0.860 4.124 4.776 1.00 21.32 C ATOM 1549 CG2 VAL A 105 0.848 3.642 2.942 1.00 21.18 C ATOM 1550 HA VAL A 105 1.921 4.711 5.097 1.00 0.00 H ATOM 1551 HB VAL A 105 0.151 2.297 4.475 1.00 0.00 H ATOM 1552 HG11 VAL A 105 -1.147 3.866 5.795 1.00 0.00 H ATOM 1553 HG12 VAL A 105 -0.664 5.194 4.712 1.00 0.00 H ATOM 1554 HG13 VAL A 105 -1.667 3.860 4.092 1.00 0.00 H ATOM 1555 HG21 VAL A 105 1.099 4.698 2.842 1.00 0.00 H ATOM 1556 HG22 VAL A 105 1.723 3.036 2.708 1.00 0.00 H ATOM 1557 HG23 VAL A 105 0.038 3.393 2.256 1.00 0.00 H ATOM 1558 H VAL A 105 2.483 1.773 5.292 1.00 0.00 H ATOM 1559 N ILE A 106 1.034 4.838 7.424 1.00 18.30 N ATOM 1560 CA ILE A 106 0.751 4.892 8.855 1.00 21.42 C ATOM 1561 C ILE A 106 -0.292 5.913 9.126 1.00 19.07 C ATOM 1562 O ILE A 106 -0.202 7.064 8.719 1.00 15.87 O ATOM 1563 CB ILE A 106 1.999 5.246 9.664 1.00 18.28 C ATOM 1564 CG1 ILE A 106 3.008 4.101 9.584 1.00 23.57 C ATOM 1565 CG2 ILE A 106 1.610 5.507 11.114 1.00 21.69 C ATOM 1566 CD1 ILE A 106 4.407 4.518 9.898 1.00 24.32 C ATOM 1567 HA ILE A 106 0.406 3.903 9.156 1.00 0.00 H ATOM 1568 HB ILE A 106 2.456 6.146 9.253 1.00 0.00 H ATOM 1569 HG12 ILE A 106 2.711 3.328 10.293 1.00 0.00 H ATOM 1570 HG13 ILE A 106 2.988 3.693 8.574 1.00 0.00 H ATOM 1571 HD11 ILE A 106 4.724 5.284 9.190 1.00 0.00 H ATOM 1572 HD12 ILE A 106 4.447 4.919 10.911 1.00 0.00 H ATOM 1573 HD13 ILE A 106 5.068 3.655 9.822 1.00 0.00 H ATOM 1574 HG21 ILE A 106 0.903 6.336 11.156 1.00 0.00 H ATOM 1575 HG22 ILE A 106 1.148 4.612 11.532 1.00 0.00 H ATOM 1576 HG23 ILE A 106 2.501 5.759 11.688 1.00 0.00 H ATOM 1577 H ILE A 106 1.231 5.716 6.902 1.00 0.00 H ATOM 1578 N ASN A 107 -1.313 5.502 9.852 1.00 19.82 N ATOM 1579 CA ASN A 107 -2.393 6.396 10.138 1.00 21.82 C ATOM 1580 C ASN A 107 -2.774 6.080 11.558 1.00 27.68 C ATOM 1581 O ASN A 107 -3.566 5.174 11.816 1.00 26.23 O ATOM 1582 CB ASN A 107 -3.570 6.152 9.185 1.00 27.04 C ATOM 1583 CG ASN A 107 -3.250 6.523 7.748 1.00 26.33 C ATOM 1584 OD1 ASN A 107 -3.154 5.649 6.877 1.00 39.56 O ATOM 1585 ND2 ASN A 107 -3.141 7.823 7.479 1.00 29.47 N ATOM 1586 HA ASN A 107 -2.113 7.442 10.008 1.00 0.00 H ATOM 1587 HB2 ASN A 107 -3.835 5.095 9.222 1.00 0.00 H ATOM 1588 HB3 ASN A 107 -4.418 6.750 9.519 1.00 0.00 H ATOM 1589 HD22 ASN A 107 -3.229 8.522 8.244 1.00 0.00 H ATOM 1590 HD21 ASN A 107 -2.968 8.139 6.504 1.00 0.00 H ATOM 1591 H ASN A 107 -1.333 4.528 10.217 1.00 0.00 H ATOM 1592 N THR A 108 -2.150 6.784 12.483 1.00 21.86 N ATOM 1593 CA THR A 108 -2.485 6.593 13.890 1.00 29.14 C ATOM 1594 C THR A 108 -2.727 7.928 14.529 1.00 22.10 C ATOM 1595 O THR A 108 -2.680 8.987 13.883 1.00 24.38 O ATOM 1596 CB THR A 108 -1.358 5.855 14.684 1.00 29.63 C ATOM 1597 OG1 THR A 108 -0.231 6.726 14.841 1.00 28.22 O ATOM 1598 CG2 THR A 108 -0.936 4.597 13.983 1.00 30.30 C ATOM 1599 HA THR A 108 -3.379 5.971 13.925 1.00 0.00 H ATOM 1600 HB THR A 108 -1.751 5.582 15.663 1.00 0.00 H ATOM 1601 HG1 THR A 108 0.480 6.256 15.344 1.00 0.00 H ATOM 1602 HG23 THR A 108 -1.798 3.940 13.867 1.00 0.00 H ATOM 1603 HG21 THR A 108 -0.534 4.847 13.001 1.00 0.00 H ATOM 1604 HG22 THR A 108 -0.170 4.093 14.573 1.00 0.00 H ATOM 1605 H THR A 108 -1.421 7.474 12.210 1.00 0.00 H ATOM 1606 N GLU A 109 -2.991 7.899 15.833 1.00 26.02 N ATOM 1607 CA GLU A 109 -3.230 9.142 16.561 1.00 30.08 C ATOM 1608 C GLU A 109 -2.003 10.077 16.545 1.00 22.65 C ATOM 1609 O GLU A 109 -2.140 11.305 16.440 1.00 27.53 O ATOM 1610 CB GLU A 109 -3.624 8.795 18.003 1.00 35.11 C ATOM 1611 CG GLU A 109 -4.963 8.069 18.107 1.00 34.99 C ATOM 1612 CD GLU A 109 -4.838 6.556 18.260 1.00 49.52 C ATOM 1613 OE1 GLU A 109 -3.768 5.989 17.931 1.00 56.57 O ATOM 1614 OE2 GLU A 109 -5.824 5.931 18.718 1.00 45.71 O ATOM 1615 HA GLU A 109 -4.037 9.683 16.066 1.00 0.00 H ATOM 1616 HB2 GLU A 109 -2.850 8.156 18.429 1.00 0.00 H ATOM 1617 HB3 GLU A 109 -3.686 9.720 18.577 1.00 0.00 H ATOM 1618 HG2 GLU A 109 -5.498 8.458 18.973 1.00 0.00 H ATOM 1619 HG3 GLU A 109 -5.537 8.276 17.204 1.00 0.00 H ATOM 1620 H GLU A 109 -3.027 6.989 16.335 1.00 0.00 H ATOM 1621 N ARG A 110 -0.810 9.490 16.644 1.00 25.65 N ATOM 1622 CA ARG A 110 0.424 10.265 16.758 1.00 26.51 C ATOM 1623 C ARG A 110 1.045 10.573 15.404 1.00 30.52 C ATOM 1624 O ARG A 110 1.674 11.610 15.225 1.00 33.54 O ATOM 1625 CB ARG A 110 1.478 9.488 17.547 1.00 33.91 C ATOM 1626 CG ARG A 110 1.164 9.253 19.006 1.00 43.15 C ATOM 1627 CD ARG A 110 2.318 8.526 19.643 1.00 30.44 C ATOM 1628 NE ARG A 110 3.458 9.419 19.781 1.00 24.49 N ATOM 1629 CZ ARG A 110 4.704 9.001 20.006 1.00 21.96 C ATOM 1630 NH1 ARG A 110 4.983 7.705 20.108 1.00 23.52 N ATOM 1631 NH2 ARG A 110 5.667 9.883 20.126 1.00 25.98 N ATOM 1632 HA ARG A 110 0.143 11.191 17.259 1.00 0.00 H ATOM 1633 HB2 ARG A 110 1.604 8.516 17.071 1.00 0.00 H ATOM 1634 HB3 ARG A 110 2.415 10.043 17.491 1.00 0.00 H ATOM 1635 HG2 ARG A 110 1.013 10.209 19.507 1.00 0.00 H ATOM 1636 HG3 ARG A 110 0.259 8.651 19.093 1.00 0.00 H ATOM 1637 HD2 ARG A 110 2.598 7.677 19.019 1.00 0.00 H ATOM 1638 HD3 ARG A 110 2.019 8.168 20.628 1.00 0.00 H ATOM 1639 HE ARG A 110 3.292 10.442 19.699 1.00 0.00 H ATOM 1640 HH12 ARG A 110 5.960 7.396 20.284 1.00 0.00 H ATOM 1641 HH11 ARG A 110 4.224 7.001 20.012 1.00 0.00 H ATOM 1642 HH22 ARG A 110 6.642 9.567 20.302 1.00 0.00 H ATOM 1643 HH21 ARG A 110 5.455 10.898 20.046 1.00 0.00 H ATOM 1644 H ARG A 110 -0.756 8.451 16.640 1.00 0.00 H ATOM 1645 N LEU A 111 0.851 9.656 14.463 1.00 25.03 N ATOM 1646 CA LEU A 111 1.683 9.601 13.261 1.00 30.50 C ATOM 1647 C LEU A 111 0.885 9.328 11.991 1.00 20.46 C ATOM 1648 O LEU A 111 0.207 8.315 11.874 1.00 24.81 O ATOM 1649 CB LEU A 111 2.748 8.505 13.450 1.00 31.96 C ATOM 1650 CG LEU A 111 3.910 8.470 12.459 1.00 26.63 C ATOM 1651 CD1 LEU A 111 4.496 9.835 12.280 1.00 22.99 C ATOM 1652 CD2 LEU A 111 4.982 7.504 12.902 1.00 30.30 C ATOM 1653 HA LEU A 111 2.143 10.581 13.133 1.00 0.00 H ATOM 1654 HB2 LEU A 111 3.172 8.630 14.446 1.00 0.00 H ATOM 1655 HB3 LEU A 111 2.240 7.542 13.391 1.00 0.00 H ATOM 1656 HG LEU A 111 3.514 8.127 11.503 1.00 0.00 H ATOM 1657 HD21 LEU A 111 5.365 7.810 13.875 1.00 0.00 H ATOM 1658 HD22 LEU A 111 4.559 6.502 12.976 1.00 0.00 H ATOM 1659 HD23 LEU A 111 5.793 7.505 12.174 1.00 0.00 H ATOM 1660 HD11 LEU A 111 3.730 10.511 11.901 1.00 0.00 H ATOM 1661 HD12 LEU A 111 4.862 10.200 13.239 1.00 0.00 H ATOM 1662 HD13 LEU A 111 5.321 9.784 11.570 1.00 0.00 H ATOM 1663 H LEU A 111 0.088 8.959 14.584 1.00 0.00 H ATOM 1664 N THR A 112 0.995 10.229 11.025 1.00 19.37 N ATOM 1665 CA THR A 112 0.489 9.994 9.688 1.00 14.42 C ATOM 1666 C THR A 112 1.636 10.045 8.640 1.00 15.38 C ATOM 1667 O THR A 112 2.279 11.074 8.482 1.00 19.92 O ATOM 1668 CB THR A 112 -0.549 11.045 9.324 1.00 27.51 C ATOM 1669 OG1 THR A 112 -1.671 10.920 10.212 1.00 36.52 O ATOM 1670 CG2 THR A 112 -1.032 10.862 7.892 1.00 21.72 C ATOM 1671 HA THR A 112 0.036 9.003 9.677 1.00 0.00 H ATOM 1672 HB THR A 112 -0.092 12.031 9.415 1.00 0.00 H ATOM 1673 HG1 THR A 112 -1.369 11.057 11.145 1.00 0.00 H ATOM 1674 HG23 THR A 112 -0.187 10.955 7.210 1.00 0.00 H ATOM 1675 HG21 THR A 112 -1.480 9.874 7.784 1.00 0.00 H ATOM 1676 HG22 THR A 112 -1.774 11.626 7.660 1.00 0.00 H ATOM 1677 H THR A 112 1.460 11.135 11.234 1.00 0.00 H ATOM 1678 N VAL A 113 1.832 8.940 7.941 1.00 16.97 N ATOM 1679 CA VAL A 113 2.906 8.832 6.934 1.00 17.22 C ATOM 1680 C VAL A 113 2.333 8.108 5.745 1.00 16.73 C ATOM 1681 O VAL A 113 1.622 7.126 5.933 1.00 17.02 O ATOM 1682 CB VAL A 113 4.105 8.025 7.501 1.00 20.27 C ATOM 1683 CG1 VAL A 113 5.181 7.794 6.436 1.00 18.24 C ATOM 1684 CG2 VAL A 113 4.709 8.739 8.712 1.00 28.03 C ATOM 1685 HA VAL A 113 3.265 9.824 6.659 1.00 0.00 H ATOM 1686 HB VAL A 113 3.727 7.052 7.814 1.00 0.00 H ATOM 1687 HG11 VAL A 113 4.752 7.236 5.603 1.00 0.00 H ATOM 1688 HG12 VAL A 113 5.550 8.756 6.079 1.00 0.00 H ATOM 1689 HG13 VAL A 113 6.004 7.226 6.870 1.00 0.00 H ATOM 1690 HG21 VAL A 113 5.057 9.728 8.413 1.00 0.00 H ATOM 1691 HG22 VAL A 113 3.951 8.839 9.489 1.00 0.00 H ATOM 1692 HG23 VAL A 113 5.548 8.157 9.094 1.00 0.00 H ATOM 1693 H VAL A 113 1.211 8.122 8.106 1.00 0.00 H ATOM 1694 N PRO A 114 2.617 8.583 4.506 1.00 17.08 N ATOM 1695 CA PRO A 114 3.289 9.842 4.173 1.00 19.89 C ATOM 1696 C PRO A 114 2.733 11.045 4.916 1.00 27.81 C ATOM 1697 O PRO A 114 1.572 11.044 5.341 1.00 21.92 O ATOM 1698 CB PRO A 114 3.017 9.987 2.657 1.00 18.53 C ATOM 1699 CG PRO A 114 2.900 8.663 2.181 1.00 12.67 C ATOM 1700 CD PRO A 114 2.293 7.820 3.289 1.00 21.04 C ATOM 1701 HA PRO A 114 4.343 9.814 4.451 1.00 0.00 H ATOM 1702 HD3 PRO A 114 1.215 7.725 3.162 1.00 0.00 H ATOM 1703 HD2 PRO A 114 2.743 6.828 3.317 1.00 0.00 H ATOM 1704 HG3 PRO A 114 3.884 8.276 1.917 1.00 0.00 H ATOM 1705 HG2 PRO A 114 2.255 8.641 1.303 1.00 0.00 H ATOM 1706 HB2 PRO A 114 2.094 10.540 2.484 1.00 0.00 H ATOM 1707 HB3 PRO A 114 3.844 10.500 2.166 1.00 0.00 H ATOM 1708 N HIS A 115 3.570 12.061 5.086 1.00 12.43 N ATOM 1709 CA HIS A 115 3.200 13.245 5.825 1.00 18.25 C ATOM 1710 C HIS A 115 1.930 13.815 5.208 1.00 28.39 C ATOM 1711 O HIS A 115 1.823 13.891 3.996 1.00 16.40 O ATOM 1712 CB HIS A 115 4.353 14.227 5.761 1.00 15.21 C ATOM 1713 CG HIS A 115 4.109 15.511 6.469 1.00 16.55 C ATOM 1714 ND1 HIS A 115 3.442 16.564 5.894 1.00 14.79 N ATOM 1715 CD2 HIS A 115 4.468 15.925 7.709 1.00 15.60 C ATOM 1716 CE1 HIS A 115 3.392 17.571 6.744 1.00 17.23 C ATOM 1717 NE2 HIS A 115 4.025 17.212 7.848 1.00 15.67 N ATOM 1718 HA HIS A 115 3.000 13.024 6.873 1.00 0.00 H ATOM 1719 HB2 HIS A 115 5.229 13.754 6.205 1.00 0.00 H ATOM 1720 HB3 HIS A 115 4.554 14.449 4.713 1.00 0.00 H ATOM 1721 HD2 HIS A 115 5.008 15.342 8.455 1.00 0.00 H ATOM 1722 HE1 HIS A 115 2.912 18.533 6.567 1.00 0.00 H ATOM 1723 H HIS A 115 4.523 12.002 4.674 1.00 0.00 H ATOM 1724 N TYR A 116 0.959 14.192 6.041 1.00 26.88 N ATOM 1725 CA TYR A 116 -0.388 14.530 5.553 1.00 33.90 C ATOM 1726 C TYR A 116 -0.430 15.692 4.539 1.00 33.09 C ATOM 1727 O TYR A 116 -1.324 15.738 3.682 1.00 36.71 O ATOM 1728 CB TYR A 116 -1.337 14.828 6.738 1.00 34.66 C ATOM 1729 CG TYR A 116 -1.231 16.235 7.252 1.00 27.07 C ATOM 1730 CD1 TYR A 116 -0.125 16.635 8.002 1.00 35.95 C ATOM 1731 CD2 TYR A 116 -2.220 17.179 6.972 1.00 38.94 C ATOM 1732 CE1 TYR A 116 0.005 17.927 8.461 1.00 43.20 C ATOM 1733 CE2 TYR A 116 -2.107 18.493 7.443 1.00 46.41 C ATOM 1734 CZ TYR A 116 -0.985 18.858 8.184 1.00 61.95 C ATOM 1735 OH TYR A 116 -0.836 20.149 8.660 1.00 48.72 O ATOM 1736 HA TYR A 116 -0.726 13.647 5.010 1.00 0.00 H ATOM 1737 HB3 TYR A 116 -1.098 14.144 7.552 1.00 0.00 H ATOM 1738 HB2 TYR A 116 -2.362 14.656 6.411 1.00 0.00 H ATOM 1739 HD2 TYR A 116 -3.089 16.891 6.381 1.00 0.00 H ATOM 1740 HE2 TYR A 116 -2.889 19.223 7.232 1.00 0.00 H ATOM 1741 HE1 TYR A 116 0.882 18.217 9.040 1.00 0.00 H ATOM 1742 HD1 TYR A 116 0.655 15.908 8.230 1.00 0.00 H ATOM 1743 HH TYR A 116 0.016 20.219 9.160 1.00 0.00 H ATOM 1744 H TYR A 116 1.158 14.249 7.060 1.00 0.00 H ATOM 1745 N ASP A 117 0.518 16.627 4.611 1.00 20.34 N ATOM 1746 CA ASP A 117 0.419 17.806 3.769 1.00 15.28 C ATOM 1747 C ASP A 117 1.623 18.134 2.867 1.00 14.06 C ATOM 1748 O ASP A 117 1.667 19.212 2.262 1.00 14.32 O ATOM 1749 CB ASP A 117 0.092 19.050 4.585 1.00 26.44 C ATOM 1750 CG ASP A 117 -0.558 20.139 3.736 1.00 21.41 C ATOM 1751 OD1 ASP A 117 -1.462 19.791 2.908 1.00 25.98 O ATOM 1752 OD2 ASP A 117 -0.159 21.330 3.862 1.00 25.32 O ATOM 1753 HA ASP A 117 -0.391 17.528 3.094 1.00 0.00 H ATOM 1754 HB2 ASP A 117 -0.592 18.774 5.388 1.00 0.00 H ATOM 1755 HB3 ASP A 117 1.014 19.442 5.014 1.00 0.00 H ATOM 1756 H ASP A 117 1.320 16.513 5.263 1.00 0.00 H ATOM 1757 N MET A 118 2.579 17.233 2.779 1.00 16.06 N ATOM 1758 CA MET A 118 3.777 17.534 2.002 1.00 15.11 C ATOM 1759 C MET A 118 3.432 17.722 0.515 1.00 18.13 C ATOM 1760 O MET A 118 4.076 18.520 -0.154 1.00 12.59 O ATOM 1761 CB MET A 118 4.841 16.456 2.186 1.00 13.47 C ATOM 1762 CG MET A 118 4.461 15.080 1.755 1.00 9.41 C ATOM 1763 SD MET A 118 5.560 13.699 2.017 1.00 19.06 S ATOM 1764 CE MET A 118 6.866 14.094 0.830 1.00 18.95 C ATOM 1765 HA MET A 118 4.190 18.472 2.374 1.00 0.00 H ATOM 1766 HB2 MET A 118 5.720 16.754 1.614 1.00 0.00 H ATOM 1767 HB3 MET A 118 5.095 16.415 3.245 1.00 0.00 H ATOM 1768 HG2 MET A 118 4.277 15.131 0.682 1.00 0.00 H ATOM 1769 HG3 MET A 118 3.531 14.839 2.271 1.00 0.00 H ATOM 1770 HE1 MET A 118 6.443 14.136 -0.174 1.00 0.00 H ATOM 1771 HE2 MET A 118 7.304 15.060 1.082 1.00 0.00 H ATOM 1772 HE3 MET A 118 7.636 13.323 0.869 1.00 0.00 H ATOM 1773 H MET A 118 2.481 16.315 3.259 1.00 0.00 H ATOM 1774 N LYS A 119 2.391 17.047 0.020 1.00 17.26 N ATOM 1775 CA LYS A 119 2.048 17.156 -1.393 1.00 18.31 C ATOM 1776 C LYS A 119 1.722 18.586 -1.737 1.00 14.61 C ATOM 1777 O LYS A 119 1.715 18.970 -2.925 1.00 23.21 O ATOM 1778 CB LYS A 119 0.947 16.178 -1.774 1.00 18.88 C ATOM 1779 CG LYS A 119 1.535 14.771 -1.883 1.00 30.74 C ATOM 1780 CD LYS A 119 0.523 13.699 -2.186 1.00 51.98 C ATOM 1781 CE LYS A 119 1.119 12.336 -1.889 1.00 37.20 C ATOM 1782 NZ LYS A 119 1.256 12.116 -0.426 1.00 32.49 N ATOM 1783 HA LYS A 119 2.912 16.872 -1.994 1.00 0.00 H ATOM 1784 HB2 LYS A 119 0.169 16.190 -1.010 1.00 0.00 H ATOM 1785 HB3 LYS A 119 0.517 16.469 -2.733 1.00 0.00 H ATOM 1786 HG2 LYS A 119 2.280 14.773 -2.679 1.00 0.00 H ATOM 1787 HG3 LYS A 119 2.017 14.528 -0.936 1.00 0.00 H ATOM 1788 HD2 LYS A 119 -0.362 13.850 -1.568 1.00 0.00 H ATOM 1789 HD3 LYS A 119 0.243 13.751 -3.238 1.00 0.00 H ATOM 1790 HE2 LYS A 119 2.103 12.270 -2.352 1.00 0.00 H ATOM 1791 HE3 LYS A 119 0.470 11.566 -2.305 1.00 0.00 H ATOM 1792 HZ1 LYS A 119 1.879 12.846 -0.024 1.00 0.00 H ATOM 1793 HZ2 LYS A 119 0.319 12.173 0.021 1.00 0.00 H ATOM 1794 HZ3 LYS A 119 1.666 11.176 -0.255 1.00 0.00 H ATOM 1795 H LYS A 119 1.823 16.441 0.645 1.00 0.00 H ATOM 1796 N ASN A 120 1.443 19.389 -0.713 1.00 12.84 N ATOM 1797 CA ASN A 120 1.140 20.805 -0.946 1.00 5.18 C ATOM 1798 C ASN A 120 2.269 21.790 -0.687 1.00 18.10 C ATOM 1799 O ASN A 120 2.084 23.008 -0.872 1.00 10.96 O ATOM 1800 CB ASN A 120 -0.061 21.258 -0.108 1.00 14.99 C ATOM 1801 CG ASN A 120 -1.400 20.762 -0.653 1.00 19.08 C ATOM 1802 OD1 ASN A 120 -1.718 20.961 -1.817 1.00 16.69 O ATOM 1803 ND2 ASN A 120 -2.199 20.150 0.202 1.00 14.14 N ATOM 1804 HA ASN A 120 0.938 20.832 -2.017 1.00 0.00 H ATOM 1805 HB2 ASN A 120 0.062 20.879 0.906 1.00 0.00 H ATOM 1806 HB3 ASN A 120 -0.078 22.348 -0.088 1.00 0.00 H ATOM 1807 HD22 ASN A 120 -1.892 19.999 1.184 1.00 0.00 H ATOM 1808 HD21 ASN A 120 -3.135 19.819 -0.107 1.00 0.00 H ATOM 1809 H ASN A 120 1.440 19.011 0.256 1.00 0.00 H ATOM 1810 N ARG A 121 3.438 21.288 -0.270 1.00 20.94 N ATOM 1811 CA ARG A 121 4.498 22.160 0.261 1.00 15.23 C ATOM 1812 C ARG A 121 5.793 22.070 -0.542 1.00 14.11 C ATOM 1813 O ARG A 121 6.511 21.063 -0.454 1.00 17.04 O ATOM 1814 CB ARG A 121 4.760 21.788 1.728 1.00 14.65 C ATOM 1815 CG ARG A 121 3.543 22.054 2.596 1.00 17.90 C ATOM 1816 CD ARG A 121 3.678 21.391 3.957 1.00 27.64 C ATOM 1817 NE ARG A 121 2.437 21.512 4.730 1.00 34.21 N ATOM 1818 CZ ARG A 121 2.315 22.063 5.941 1.00 56.82 C ATOM 1819 NH1 ARG A 121 3.359 22.567 6.598 1.00 32.53 N ATOM 1820 NH2 ARG A 121 1.118 22.101 6.511 1.00 52.29 N ATOM 1821 HA ARG A 121 4.153 23.191 0.182 1.00 0.00 H ATOM 1822 HB2 ARG A 121 5.012 20.729 1.786 1.00 0.00 H ATOM 1823 HB3 ARG A 121 5.597 22.380 2.100 1.00 0.00 H ATOM 1824 HG2 ARG A 121 3.434 23.130 2.734 1.00 0.00 H ATOM 1825 HG3 ARG A 121 2.658 21.661 2.096 1.00 0.00 H ATOM 1826 HD2 ARG A 121 4.488 21.869 4.507 1.00 0.00 H ATOM 1827 HD3 ARG A 121 3.909 20.335 3.817 1.00 0.00 H ATOM 1828 HE ARG A 121 1.572 21.134 4.295 1.00 0.00 H ATOM 1829 HH12 ARG A 121 3.227 22.988 7.540 1.00 0.00 H ATOM 1830 HH11 ARG A 121 4.306 22.539 6.169 1.00 0.00 H ATOM 1831 HH22 ARG A 121 1.004 22.526 7.453 1.00 0.00 H ATOM 1832 HH21 ARG A 121 0.293 21.706 6.016 1.00 0.00 H ATOM 1833 H ARG A 121 3.600 20.262 -0.322 1.00 0.00 H ATOM 1834 N GLY A 122 6.034 23.066 -1.393 1.00 15.92 N ATOM 1835 CA GLY A 122 7.183 23.025 -2.288 1.00 14.78 C ATOM 1836 C GLY A 122 8.467 23.041 -1.480 1.00 18.42 C ATOM 1837 O GLY A 122 9.486 22.489 -1.915 1.00 15.73 O ATOM 1838 HA3 GLY A 122 7.159 23.893 -2.947 1.00 0.00 H ATOM 1839 HA2 GLY A 122 7.143 22.115 -2.886 1.00 0.00 H ATOM 1840 H GLY A 122 5.393 23.885 -1.419 1.00 0.00 H ATOM 1841 N PHE A 123 8.414 23.619 -0.282 1.00 18.06 N ATOM 1842 CA PHE A 123 9.621 23.703 0.591 1.00 15.61 C ATOM 1843 C PHE A 123 9.928 22.370 1.211 1.00 15.07 C ATOM 1844 O PHE A 123 11.049 22.140 1.706 1.00 17.04 O ATOM 1845 CB PHE A 123 9.522 24.830 1.624 1.00 19.11 C ATOM 1846 CG PHE A 123 8.300 24.762 2.511 1.00 21.24 C ATOM 1847 CD1 PHE A 123 8.210 23.811 3.524 1.00 20.46 C ATOM 1848 CD2 PHE A 123 7.265 25.668 2.352 1.00 21.27 C ATOM 1849 CE1 PHE A 123 7.093 23.757 4.366 1.00 25.13 C ATOM 1850 CE2 PHE A 123 6.131 25.614 3.201 1.00 23.44 C ATOM 1851 CZ PHE A 123 6.061 24.647 4.193 1.00 25.20 C ATOM 1852 HA PHE A 123 10.467 23.966 -0.044 1.00 0.00 H ATOM 1853 HB2 PHE A 123 10.407 24.789 2.259 1.00 0.00 H ATOM 1854 HB3 PHE A 123 9.503 25.780 1.091 1.00 0.00 H ATOM 1855 HD2 PHE A 123 7.322 26.426 1.571 1.00 0.00 H ATOM 1856 HE2 PHE A 123 5.318 26.329 3.075 1.00 0.00 H ATOM 1857 HZ PHE A 123 5.184 24.593 4.838 1.00 0.00 H ATOM 1858 HE1 PHE A 123 7.042 23.010 5.158 1.00 0.00 H ATOM 1859 HD1 PHE A 123 9.022 23.097 3.664 1.00 0.00 H ATOM 1860 H PHE A 123 7.514 24.020 0.052 1.00 0.00 H ATOM 1861 N MET A 124 8.960 21.448 1.134 1.00 12.40 N ATOM 1862 CA MET A 124 9.199 20.054 1.449 1.00 12.66 C ATOM 1863 C MET A 124 9.562 19.195 0.269 1.00 15.66 C ATOM 1864 O MET A 124 10.444 18.321 0.349 1.00 17.01 O ATOM 1865 CB MET A 124 7.984 19.445 2.172 1.00 16.50 C ATOM 1866 CG MET A 124 7.797 19.983 3.574 1.00 18.99 C ATOM 1867 SD MET A 124 6.224 19.431 4.349 1.00 17.34 S ATOM 1868 CE MET A 124 6.628 17.817 4.702 1.00 9.34 C ATOM 1869 HA MET A 124 10.072 20.060 2.101 1.00 0.00 H ATOM 1870 HB2 MET A 124 7.088 19.667 1.592 1.00 0.00 H ATOM 1871 HB3 MET A 124 8.120 18.365 2.230 1.00 0.00 H ATOM 1872 HG2 MET A 124 7.801 21.072 3.532 1.00 0.00 H ATOM 1873 HG3 MET A 124 8.628 19.641 4.191 1.00 0.00 H ATOM 1874 HE1 MET A 124 6.876 17.295 3.778 1.00 0.00 H ATOM 1875 HE2 MET A 124 7.486 17.797 5.374 1.00 0.00 H ATOM 1876 HE3 MET A 124 5.780 17.328 5.180 1.00 0.00 H ATOM 1877 H MET A 124 8.007 21.742 0.839 1.00 0.00 H ATOM 1878 N LEU A 125 8.859 19.400 -0.840 1.00 12.96 N ATOM 1879 CA LEU A 125 9.050 18.564 -2.012 1.00 10.98 C ATOM 1880 C LEU A 125 10.349 18.774 -2.788 1.00 7.01 C ATOM 1881 O LEU A 125 10.951 17.820 -3.274 1.00 11.46 O ATOM 1882 CB LEU A 125 7.894 18.807 -2.981 1.00 14.52 C ATOM 1883 CG LEU A 125 6.534 18.469 -2.391 1.00 14.95 C ATOM 1884 CD1 LEU A 125 5.521 18.888 -3.426 1.00 19.06 C ATOM 1885 CD2 LEU A 125 6.462 16.980 -2.074 1.00 14.26 C ATOM 1886 HA LEU A 125 9.094 17.547 -1.621 1.00 0.00 H ATOM 1887 HB2 LEU A 125 7.896 19.859 -3.266 1.00 0.00 H ATOM 1888 HB3 LEU A 125 8.050 18.192 -3.867 1.00 0.00 H ATOM 1889 HG LEU A 125 6.344 18.986 -1.451 1.00 0.00 H ATOM 1890 HD21 LEU A 125 6.610 16.407 -2.990 1.00 0.00 H ATOM 1891 HD22 LEU A 125 7.240 16.725 -1.355 1.00 0.00 H ATOM 1892 HD23 LEU A 125 5.485 16.747 -1.652 1.00 0.00 H ATOM 1893 HD11 LEU A 125 5.616 19.957 -3.614 1.00 0.00 H ATOM 1894 HD12 LEU A 125 5.699 18.338 -4.350 1.00 0.00 H ATOM 1895 HD13 LEU A 125 4.518 18.670 -3.060 1.00 0.00 H ATOM 1896 H LEU A 125 8.161 20.171 -0.869 1.00 0.00 H ATOM 1897 N TRP A 126 10.754 20.013 -2.933 1.00 10.72 N ATOM 1898 CA TRP A 126 11.933 20.283 -3.752 1.00 11.34 C ATOM 1899 C TRP A 126 13.193 19.724 -3.098 1.00 23.27 C ATOM 1900 O TRP A 126 13.948 19.018 -3.748 1.00 12.72 O ATOM 1901 CB TRP A 126 12.023 21.763 -4.048 1.00 11.21 C ATOM 1902 CG TRP A 126 11.322 22.154 -5.311 1.00 19.04 C ATOM 1903 CD1 TRP A 126 10.281 23.023 -5.426 1.00 21.02 C ATOM 1904 CD2 TRP A 126 11.632 21.715 -6.651 1.00 17.43 C ATOM 1905 NE1 TRP A 126 9.897 23.133 -6.748 1.00 19.31 N ATOM 1906 CE2 TRP A 126 10.712 22.347 -7.519 1.00 19.45 C ATOM 1907 CE3 TRP A 126 12.581 20.842 -7.194 1.00 20.64 C ATOM 1908 CZ2 TRP A 126 10.728 22.145 -8.906 1.00 25.46 C ATOM 1909 CZ3 TRP A 126 12.600 20.638 -8.578 1.00 26.77 C ATOM 1910 CH2 TRP A 126 11.680 21.288 -9.411 1.00 23.62 C ATOM 1911 HA TRP A 126 11.839 19.768 -4.708 1.00 0.00 H ATOM 1912 HB2 TRP A 126 11.575 22.311 -3.219 1.00 0.00 H ATOM 1913 HB3 TRP A 126 13.075 22.036 -4.136 1.00 0.00 H ATOM 1914 HE1 TRP A 126 9.114 23.719 -7.102 1.00 0.00 H ATOM 1915 HD1 TRP A 126 9.818 23.555 -4.595 1.00 0.00 H ATOM 1916 HZ2 TRP A 126 10.014 22.647 -9.559 1.00 0.00 H ATOM 1917 HH2 TRP A 126 11.719 21.111 -10.486 1.00 0.00 H ATOM 1918 HZ3 TRP A 126 13.339 19.966 -9.013 1.00 0.00 H ATOM 1919 HE3 TRP A 126 13.294 20.329 -6.549 1.00 0.00 H ATOM 1920 H TRP A 126 10.243 20.792 -2.471 1.00 0.00 H ATOM 1921 N PRO A 127 13.381 19.940 -1.782 1.00 16.49 N ATOM 1922 CA PRO A 127 14.616 19.372 -1.210 1.00 13.85 C ATOM 1923 C PRO A 127 14.614 17.888 -1.277 1.00 9.77 C ATOM 1924 O PRO A 127 15.628 17.280 -1.548 1.00 11.95 O ATOM 1925 CB PRO A 127 14.554 19.839 0.256 1.00 11.07 C ATOM 1926 CG PRO A 127 13.898 21.189 0.148 1.00 12.75 C ATOM 1927 CD PRO A 127 12.819 20.994 -0.918 1.00 15.84 C ATOM 1928 HA PRO A 127 15.514 19.689 -1.740 1.00 0.00 H ATOM 1929 HD3 PRO A 127 11.880 20.671 -0.469 1.00 0.00 H ATOM 1930 HD2 PRO A 127 12.654 21.913 -1.480 1.00 0.00 H ATOM 1931 HG3 PRO A 127 14.618 21.946 -0.163 1.00 0.00 H ATOM 1932 HG2 PRO A 127 13.454 21.481 1.100 1.00 0.00 H ATOM 1933 HB2 PRO A 127 13.955 19.158 0.860 1.00 0.00 H ATOM 1934 HB3 PRO A 127 15.553 19.921 0.685 1.00 0.00 H ATOM 1935 N LEU A 128 13.463 17.271 -1.058 1.00 9.90 N ATOM 1936 CA LEU A 128 13.355 15.852 -1.207 1.00 8.46 C ATOM 1937 C LEU A 128 13.696 15.375 -2.622 1.00 13.47 C ATOM 1938 O LEU A 128 14.288 14.309 -2.781 1.00 11.96 O ATOM 1939 CB LEU A 128 11.959 15.369 -0.800 1.00 9.48 C ATOM 1940 CG LEU A 128 11.739 13.867 -0.828 1.00 9.13 C ATOM 1941 CD1 LEU A 128 12.572 13.068 0.124 1.00 13.80 C ATOM 1942 CD2 LEU A 128 10.250 13.553 -0.597 1.00 13.38 C ATOM 1943 HA LEU A 128 14.095 15.412 -0.538 1.00 0.00 H ATOM 1944 HB2 LEU A 128 11.769 15.715 0.216 1.00 0.00 H ATOM 1945 HB3 LEU A 128 11.237 15.825 -1.478 1.00 0.00 H ATOM 1946 HG LEU A 128 12.067 13.557 -1.820 1.00 0.00 H ATOM 1947 HD21 LEU A 128 9.944 13.944 0.373 1.00 0.00 H ATOM 1948 HD22 LEU A 128 9.656 14.019 -1.383 1.00 0.00 H ATOM 1949 HD23 LEU A 128 10.100 12.474 -0.618 1.00 0.00 H ATOM 1950 HD11 LEU A 128 13.627 13.226 -0.098 1.00 0.00 H ATOM 1951 HD12 LEU A 128 12.362 13.388 1.145 1.00 0.00 H ATOM 1952 HD13 LEU A 128 12.331 12.010 0.016 1.00 0.00 H ATOM 1953 H LEU A 128 12.629 17.824 -0.775 1.00 0.00 H ATOM 1954 N PHE A 129 13.271 16.126 -3.626 1.00 12.08 N ATOM 1955 CA PHE A 129 13.465 15.709 -5.047 1.00 7.03 C ATOM 1956 C PHE A 129 14.973 15.818 -5.357 1.00 8.82 C ATOM 1957 O PHE A 129 15.515 15.106 -6.197 1.00 13.50 O ATOM 1958 CB PHE A 129 12.686 16.660 -5.932 1.00 14.07 C ATOM 1959 CG PHE A 129 12.865 16.400 -7.413 1.00 13.13 C ATOM 1960 CD1 PHE A 129 12.363 15.247 -7.983 1.00 13.82 C ATOM 1961 CD2 PHE A 129 13.508 17.328 -8.208 1.00 21.50 C ATOM 1962 CE1 PHE A 129 12.501 15.012 -9.332 1.00 16.48 C ATOM 1963 CE2 PHE A 129 13.662 17.094 -9.566 1.00 19.28 C ATOM 1964 CZ PHE A 129 13.149 15.934 -10.116 1.00 13.17 C ATOM 1965 HA PHE A 129 13.118 14.690 -5.220 1.00 0.00 H ATOM 1966 HB2 PHE A 129 11.627 16.565 -5.691 1.00 0.00 H ATOM 1967 HB3 PHE A 129 13.016 17.677 -5.719 1.00 0.00 H ATOM 1968 HD2 PHE A 129 13.895 18.246 -7.767 1.00 0.00 H ATOM 1969 HE2 PHE A 129 14.182 17.817 -10.194 1.00 0.00 H ATOM 1970 HZ PHE A 129 13.260 15.749 -11.184 1.00 0.00 H ATOM 1971 HE1 PHE A 129 12.099 14.101 -9.775 1.00 0.00 H ATOM 1972 HD1 PHE A 129 11.852 14.515 -7.358 1.00 0.00 H ATOM 1973 H PHE A 129 12.792 17.026 -3.421 1.00 0.00 H ATOM 1974 N GLU A 130 15.649 16.745 -4.696 1.00 12.76 N ATOM 1975 CA GLU A 130 17.123 16.788 -4.816 1.00 12.58 C ATOM 1976 C GLU A 130 17.801 15.462 -4.429 1.00 19.40 C ATOM 1977 O GLU A 130 18.683 14.957 -5.136 1.00 19.52 O ATOM 1978 CB GLU A 130 17.689 17.969 -4.042 1.00 15.09 C ATOM 1979 CG GLU A 130 19.217 18.091 -4.220 1.00 23.41 C ATOM 1980 CD GLU A 130 19.814 19.232 -3.449 1.00 34.69 C ATOM 1981 OE1 GLU A 130 19.306 19.540 -2.362 1.00 18.33 O ATOM 1982 OE2 GLU A 130 20.795 19.829 -3.921 1.00 38.25 O ATOM 1983 HA GLU A 130 17.353 16.932 -5.872 1.00 0.00 H ATOM 1984 HB2 GLU A 130 17.218 18.884 -4.400 1.00 0.00 H ATOM 1985 HB3 GLU A 130 17.466 17.837 -2.983 1.00 0.00 H ATOM 1986 HG2 GLU A 130 19.680 17.164 -3.882 1.00 0.00 H ATOM 1987 HG3 GLU A 130 19.432 18.238 -5.278 1.00 0.00 H ATOM 1988 H GLU A 130 15.150 17.435 -4.099 1.00 0.00 H ATOM 1989 N ILE A 131 17.388 14.867 -3.316 1.00 11.23 N ATOM 1990 CA ILE A 131 18.026 13.646 -2.840 1.00 9.05 C ATOM 1991 C ILE A 131 17.405 12.363 -3.242 1.00 12.81 C ATOM 1992 O ILE A 131 18.029 11.321 -3.087 1.00 11.15 O ATOM 1993 CB ILE A 131 18.213 13.634 -1.286 1.00 18.50 C ATOM 1994 CG1 ILE A 131 16.862 13.721 -0.566 1.00 14.65 C ATOM 1995 CG2 ILE A 131 19.128 14.787 -0.877 1.00 12.71 C ATOM 1996 CD1 ILE A 131 17.022 13.806 1.016 1.00 18.46 C ATOM 1997 HA ILE A 131 18.986 13.693 -3.354 1.00 0.00 H ATOM 1998 HB ILE A 131 18.675 12.692 -0.992 1.00 0.00 H ATOM 1999 HG12 ILE A 131 16.336 14.611 -0.913 1.00 0.00 H ATOM 2000 HG13 ILE A 131 16.276 12.835 -0.812 1.00 0.00 H ATOM 2001 HD11 ILE A 131 17.539 12.917 1.376 1.00 0.00 H ATOM 2002 HD12 ILE A 131 17.600 14.693 1.274 1.00 0.00 H ATOM 2003 HD13 ILE A 131 16.036 13.866 1.477 1.00 0.00 H ATOM 2004 HG21 ILE A 131 20.097 14.670 -1.362 1.00 0.00 H ATOM 2005 HG22 ILE A 131 18.679 15.732 -1.183 1.00 0.00 H ATOM 2006 HG23 ILE A 131 19.259 14.779 0.205 1.00 0.00 H ATOM 2007 H ILE A 131 16.599 15.278 -2.777 1.00 0.00 H ATOM 2008 N ALA A 132 16.171 12.409 -3.766 1.00 13.49 N ATOM 2009 CA ALA A 132 15.451 11.181 -4.074 1.00 17.09 C ATOM 2010 C ALA A 132 14.588 11.430 -5.320 1.00 17.87 C ATOM 2011 O ALA A 132 13.359 11.400 -5.262 1.00 12.74 O ATOM 2012 CB ALA A 132 14.586 10.743 -2.867 1.00 19.25 C ATOM 2013 HA ALA A 132 16.153 10.372 -4.276 1.00 0.00 H ATOM 2014 HB1 ALA A 132 15.229 10.570 -2.004 1.00 0.00 H ATOM 2015 HB2 ALA A 132 13.866 11.528 -2.634 1.00 0.00 H ATOM 2016 HB3 ALA A 132 14.056 9.824 -3.116 1.00 0.00 H ATOM 2017 H ALA A 132 15.725 13.329 -3.954 1.00 0.00 H ATOM 2018 N PRO A 133 15.233 11.723 -6.454 1.00 17.77 N ATOM 2019 CA PRO A 133 14.424 12.153 -7.613 1.00 16.03 C ATOM 2020 C PRO A 133 13.483 11.073 -8.149 1.00 13.53 C ATOM 2021 O PRO A 133 12.456 11.357 -8.779 1.00 16.20 O ATOM 2022 CB PRO A 133 15.506 12.581 -8.656 1.00 15.82 C ATOM 2023 CG PRO A 133 16.736 11.838 -8.258 1.00 20.84 C ATOM 2024 CD PRO A 133 16.687 11.841 -6.722 1.00 17.33 C ATOM 2025 HA PRO A 133 13.732 12.954 -7.354 1.00 0.00 H ATOM 2026 HD3 PRO A 133 17.235 10.995 -6.307 1.00 0.00 H ATOM 2027 HD2 PRO A 133 17.090 12.768 -6.315 1.00 0.00 H ATOM 2028 HG3 PRO A 133 17.630 12.346 -8.619 1.00 0.00 H ATOM 2029 HG2 PRO A 133 16.717 10.819 -8.645 1.00 0.00 H ATOM 2030 HB2 PRO A 133 15.199 12.303 -9.664 1.00 0.00 H ATOM 2031 HB3 PRO A 133 15.676 13.657 -8.613 1.00 0.00 H ATOM 2032 N GLU A 134 13.823 9.829 -7.906 1.00 11.84 N ATOM 2033 CA GLU A 134 13.050 8.719 -8.410 1.00 14.35 C ATOM 2034 C GLU A 134 11.998 8.217 -7.435 1.00 14.39 C ATOM 2035 O GLU A 134 11.407 7.177 -7.667 1.00 16.46 O ATOM 2036 CB GLU A 134 13.998 7.566 -8.680 1.00 27.41 C ATOM 2037 CG GLU A 134 15.175 7.957 -9.562 1.00 35.52 C ATOM 2038 CD GLU A 134 14.711 8.348 -10.942 1.00 47.50 C ATOM 2039 OE1 GLU A 134 13.818 7.640 -11.460 1.00 42.71 O ATOM 2040 OE2 GLU A 134 15.201 9.366 -11.492 1.00 48.71 O ATOM 2041 HA GLU A 134 12.535 9.072 -9.303 1.00 0.00 H ATOM 2042 HB2 GLU A 134 14.383 7.203 -7.727 1.00 0.00 H ATOM 2043 HB3 GLU A 134 13.443 6.768 -9.174 1.00 0.00 H ATOM 2044 HG2 GLU A 134 15.696 8.800 -9.109 1.00 0.00 H ATOM 2045 HG3 GLU A 134 15.857 7.111 -9.642 1.00 0.00 H ATOM 2046 H GLU A 134 14.671 9.638 -7.336 1.00 0.00 H ATOM 2047 N LEU A 135 11.825 8.925 -6.321 1.00 15.19 N ATOM 2048 CA LEU A 135 10.995 8.443 -5.207 1.00 12.61 C ATOM 2049 C LEU A 135 9.563 8.143 -5.681 1.00 11.02 C ATOM 2050 O LEU A 135 8.976 8.955 -6.380 1.00 13.64 O ATOM 2051 CB LEU A 135 10.942 9.527 -4.132 1.00 12.00 C ATOM 2052 CG LEU A 135 10.315 9.072 -2.811 1.00 22.69 C ATOM 2053 CD1 LEU A 135 11.142 9.534 -1.606 1.00 27.35 C ATOM 2054 CD2 LEU A 135 8.943 9.638 -2.709 1.00 19.32 C ATOM 2055 HA LEU A 135 11.432 7.526 -4.813 1.00 0.00 H ATOM 2056 HB2 LEU A 135 11.960 9.859 -3.931 1.00 0.00 H ATOM 2057 HB3 LEU A 135 10.358 10.363 -4.518 1.00 0.00 H ATOM 2058 HG LEU A 135 10.285 7.982 -2.802 1.00 0.00 H ATOM 2059 HD21 LEU A 135 8.997 10.726 -2.736 1.00 0.00 H ATOM 2060 HD22 LEU A 135 8.341 9.282 -3.545 1.00 0.00 H ATOM 2061 HD23 LEU A 135 8.489 9.319 -1.771 1.00 0.00 H ATOM 2062 HD11 LEU A 135 12.146 9.115 -1.674 1.00 0.00 H ATOM 2063 HD12 LEU A 135 11.201 10.622 -1.603 1.00 0.00 H ATOM 2064 HD13 LEU A 135 10.665 9.192 -0.687 1.00 0.00 H ATOM 2065 H LEU A 135 12.293 9.850 -6.236 1.00 0.00 H ATOM 2066 N VAL A 136 9.049 6.968 -5.316 1.00 12.01 N ATOM 2067 CA VAL A 136 7.636 6.599 -5.526 1.00 15.62 C ATOM 2068 C VAL A 136 7.032 6.453 -4.128 1.00 19.23 C ATOM 2069 O VAL A 136 7.634 5.800 -3.257 1.00 16.53 O ATOM 2070 CB VAL A 136 7.496 5.251 -6.276 1.00 21.92 C ATOM 2071 CG1 VAL A 136 6.037 4.825 -6.409 1.00 28.59 C ATOM 2072 CG2 VAL A 136 8.119 5.350 -7.671 1.00 23.49 C ATOM 2073 HA VAL A 136 7.136 7.356 -6.131 1.00 0.00 H ATOM 2074 HB VAL A 136 8.022 4.500 -5.687 1.00 0.00 H ATOM 2075 HG11 VAL A 136 5.601 4.712 -5.416 1.00 0.00 H ATOM 2076 HG12 VAL A 136 5.487 5.585 -6.964 1.00 0.00 H ATOM 2077 HG13 VAL A 136 5.984 3.875 -6.941 1.00 0.00 H ATOM 2078 HG21 VAL A 136 7.611 6.128 -8.240 1.00 0.00 H ATOM 2079 HG22 VAL A 136 9.176 5.598 -7.579 1.00 0.00 H ATOM 2080 HG23 VAL A 136 8.012 4.394 -8.184 1.00 0.00 H ATOM 2081 H VAL A 136 9.677 6.276 -4.860 1.00 0.00 H ATOM 2082 N PHE A 137 5.877 7.084 -3.923 1.00 18.56 N ATOM 2083 CA PHE A 137 5.112 6.948 -2.676 1.00 21.19 C ATOM 2084 C PHE A 137 4.428 5.580 -2.583 1.00 17.01 C ATOM 2085 O PHE A 137 4.270 4.881 -3.581 1.00 18.69 O ATOM 2086 CB PHE A 137 4.083 8.070 -2.554 1.00 19.48 C ATOM 2087 CG PHE A 137 4.691 9.447 -2.427 1.00 14.89 C ATOM 2088 CD1 PHE A 137 5.035 10.177 -3.538 1.00 18.93 C ATOM 2089 CD2 PHE A 137 4.926 10.006 -1.183 1.00 26.16 C ATOM 2090 CE1 PHE A 137 5.612 11.429 -3.428 1.00 15.52 C ATOM 2091 CE2 PHE A 137 5.506 11.261 -1.065 1.00 23.68 C ATOM 2092 CZ PHE A 137 5.838 11.983 -2.189 1.00 25.15 C ATOM 2093 HA PHE A 137 5.815 7.025 -1.846 1.00 0.00 H ATOM 2094 HB2 PHE A 137 3.451 8.054 -3.442 1.00 0.00 H ATOM 2095 HB3 PHE A 137 3.472 7.881 -1.671 1.00 0.00 H ATOM 2096 HD2 PHE A 137 4.652 9.453 -0.284 1.00 0.00 H ATOM 2097 HE2 PHE A 137 5.700 11.678 -0.077 1.00 0.00 H ATOM 2098 HZ PHE A 137 6.273 12.978 -2.099 1.00 0.00 H ATOM 2099 HE1 PHE A 137 5.889 11.979 -4.327 1.00 0.00 H ATOM 2100 HD1 PHE A 137 4.849 9.761 -4.528 1.00 0.00 H ATOM 2101 H PHE A 137 5.502 7.697 -4.675 1.00 0.00 H ATOM 2102 N PRO A 138 3.984 5.196 -1.369 1.00 17.24 N ATOM 2103 CA PRO A 138 3.443 3.846 -1.178 1.00 13.91 C ATOM 2104 C PRO A 138 2.218 3.536 -2.044 1.00 12.86 C ATOM 2105 O PRO A 138 1.942 2.351 -2.332 1.00 20.76 O ATOM 2106 CB PRO A 138 3.062 3.834 0.310 1.00 17.74 C ATOM 2107 CG PRO A 138 4.028 4.807 0.927 1.00 19.66 C ATOM 2108 CD PRO A 138 4.292 5.864 -0.092 1.00 22.85 C ATOM 2109 HA PRO A 138 4.169 3.087 -1.470 1.00 0.00 H ATOM 2110 HD3 PRO A 138 3.643 6.726 0.063 1.00 0.00 H ATOM 2111 HD2 PRO A 138 5.333 6.184 -0.061 1.00 0.00 H ATOM 2112 HG3 PRO A 138 4.956 4.299 1.189 1.00 0.00 H ATOM 2113 HG2 PRO A 138 3.593 5.250 1.823 1.00 0.00 H ATOM 2114 HB2 PRO A 138 2.033 4.163 0.452 1.00 0.00 H ATOM 2115 HB3 PRO A 138 3.186 2.838 0.736 1.00 0.00 H ATOM 2116 N ASP A 139 1.505 4.577 -2.448 1.00 17.28 N ATOM 2117 CA ASP A 139 0.286 4.384 -3.238 1.00 27.23 C ATOM 2118 C ASP A 139 0.575 4.416 -4.738 1.00 33.36 C ATOM 2119 O ASP A 139 -0.318 4.182 -5.548 1.00 27.53 O ATOM 2120 CB ASP A 139 -0.763 5.441 -2.882 1.00 23.53 C ATOM 2121 CG ASP A 139 -0.376 6.825 -3.325 1.00 31.17 C ATOM 2122 OD1 ASP A 139 0.806 7.041 -3.683 1.00 31.26 O ATOM 2123 OD2 ASP A 139 -1.249 7.719 -3.323 1.00 24.91 O ATOM 2124 HA ASP A 139 -0.107 3.398 -2.992 1.00 0.00 H ATOM 2125 HB2 ASP A 139 -1.704 5.173 -3.362 1.00 0.00 H ATOM 2126 HB3 ASP A 139 -0.897 5.447 -1.800 1.00 0.00 H ATOM 2127 H ASP A 139 1.813 5.539 -2.202 1.00 0.00 H ATOM 2128 N GLY A 140 1.827 4.691 -5.107 1.00 21.85 N ATOM 2129 CA GLY A 140 2.245 4.661 -6.516 1.00 22.22 C ATOM 2130 C GLY A 140 2.397 6.025 -7.158 1.00 19.73 C ATOM 2131 O GLY A 140 2.844 6.146 -8.327 1.00 24.69 O ATOM 2132 HA3 GLY A 140 1.500 4.101 -7.080 1.00 0.00 H ATOM 2133 HA2 GLY A 140 3.205 4.148 -6.575 1.00 0.00 H ATOM 2134 H GLY A 140 2.527 4.933 -4.377 1.00 0.00 H ATOM 2135 N GLU A 141 2.035 7.072 -6.429 1.00 17.99 N ATOM 2136 CA GLU A 141 2.327 8.413 -6.888 1.00 13.91 C ATOM 2137 C GLU A 141 3.838 8.620 -6.962 1.00 13.34 C ATOM 2138 O GLU A 141 4.593 7.940 -6.270 1.00 18.73 O ATOM 2139 CB GLU A 141 1.693 9.461 -6.011 1.00 21.00 C ATOM 2140 CG GLU A 141 0.177 9.338 -5.903 1.00 24.26 C ATOM 2141 CD GLU A 141 -0.398 10.321 -4.886 1.00 34.52 C ATOM 2142 OE1 GLU A 141 -0.269 11.541 -5.121 1.00 31.19 O ATOM 2143 OE2 GLU A 141 -0.982 9.867 -3.869 1.00 27.42 O ATOM 2144 HA GLU A 141 1.898 8.525 -7.884 1.00 0.00 H ATOM 2145 HB2 GLU A 141 2.117 9.375 -5.011 1.00 0.00 H ATOM 2146 HB3 GLU A 141 1.930 10.442 -6.422 1.00 0.00 H ATOM 2147 HG2 GLU A 141 -0.265 9.540 -6.879 1.00 0.00 H ATOM 2148 HG3 GLU A 141 -0.074 8.323 -5.595 1.00 0.00 H ATOM 2149 H GLU A 141 1.540 6.929 -5.525 1.00 0.00 H ATOM 2150 N MET A 142 4.253 9.526 -7.856 1.00 21.78 N ATOM 2151 CA MET A 142 5.670 9.779 -8.117 1.00 15.03 C ATOM 2152 C MET A 142 5.965 11.171 -7.710 1.00 14.72 C ATOM 2153 O MET A 142 5.233 12.106 -8.049 1.00 16.01 O ATOM 2154 CB MET A 142 5.985 9.575 -9.622 1.00 20.71 C ATOM 2155 CG MET A 142 6.001 8.120 -10.037 1.00 25.02 C ATOM 2156 SD MET A 142 5.735 7.897 -11.836 1.00 51.72 S ATOM 2157 CE MET A 142 4.042 8.488 -12.045 1.00 54.22 C ATOM 2158 HA MET A 142 6.290 9.083 -7.551 1.00 0.00 H ATOM 2159 HB2 MET A 142 5.227 10.094 -10.208 1.00 0.00 H ATOM 2160 HB3 MET A 142 6.964 10.006 -9.833 1.00 0.00 H ATOM 2161 HG2 MET A 142 5.212 7.595 -9.499 1.00 0.00 H ATOM 2162 HG3 MET A 142 6.967 7.691 -9.771 1.00 0.00 H ATOM 2163 HE1 MET A 142 3.370 7.883 -11.436 1.00 0.00 H ATOM 2164 HE2 MET A 142 3.981 9.530 -11.731 1.00 0.00 H ATOM 2165 HE3 MET A 142 3.757 8.406 -13.094 1.00 0.00 H ATOM 2166 H MET A 142 3.542 10.070 -8.385 1.00 0.00 H ATOM 2167 N LEU A 143 7.032 11.340 -6.930 1.00 14.51 N ATOM 2168 CA LEU A 143 7.412 12.664 -6.513 1.00 11.62 C ATOM 2169 C LEU A 143 7.601 13.594 -7.694 1.00 14.52 C ATOM 2170 O LEU A 143 7.193 14.770 -7.673 1.00 9.59 O ATOM 2171 CB LEU A 143 8.710 12.610 -5.666 1.00 20.34 C ATOM 2172 CG LEU A 143 9.284 13.955 -5.198 1.00 17.95 C ATOM 2173 CD1 LEU A 143 8.296 14.786 -4.370 1.00 26.64 C ATOM 2174 CD2 LEU A 143 10.601 13.711 -4.439 1.00 13.80 C ATOM 2175 HA LEU A 143 6.600 13.061 -5.904 1.00 0.00 H ATOM 2176 HB2 LEU A 143 8.501 12.013 -4.778 1.00 0.00 H ATOM 2177 HB3 LEU A 143 9.475 12.114 -6.264 1.00 0.00 H ATOM 2178 HG LEU A 143 9.482 14.556 -6.086 1.00 0.00 H ATOM 2179 HD21 LEU A 143 10.408 13.076 -3.575 1.00 0.00 H ATOM 2180 HD22 LEU A 143 11.315 13.220 -5.101 1.00 0.00 H ATOM 2181 HD23 LEU A 143 11.009 14.665 -4.106 1.00 0.00 H ATOM 2182 HD11 LEU A 143 7.411 14.999 -4.969 1.00 0.00 H ATOM 2183 HD12 LEU A 143 8.008 14.226 -3.480 1.00 0.00 H ATOM 2184 HD13 LEU A 143 8.769 15.722 -4.074 1.00 0.00 H ATOM 2185 H LEU A 143 7.589 10.517 -6.623 1.00 0.00 H ATOM 2186 N ARG A 144 8.286 13.093 -8.715 1.00 15.68 N ATOM 2187 CA ARG A 144 8.516 13.872 -9.926 1.00 24.06 C ATOM 2188 C ARG A 144 7.197 14.358 -10.565 1.00 16.33 C ATOM 2189 O ARG A 144 7.083 15.491 -11.029 1.00 15.05 O ATOM 2190 CB ARG A 144 9.271 12.966 -10.890 1.00 23.69 C ATOM 2191 CG ARG A 144 9.595 13.554 -12.211 1.00 24.74 C ATOM 2192 CD ARG A 144 9.593 12.439 -13.227 1.00 33.44 C ATOM 2193 NE ARG A 144 8.233 11.933 -13.389 1.00 28.28 N ATOM 2194 CZ ARG A 144 7.849 10.692 -13.122 1.00 32.29 C ATOM 2195 NH1 ARG A 144 8.722 9.797 -12.665 1.00 36.42 N ATOM 2196 NH2 ARG A 144 6.574 10.345 -13.318 1.00 41.47 N ATOM 2197 HA ARG A 144 9.086 14.770 -9.687 1.00 0.00 H ATOM 2198 HB2 ARG A 144 10.208 12.678 -10.413 1.00 0.00 H ATOM 2199 HB3 ARG A 144 8.663 12.078 -11.060 1.00 0.00 H ATOM 2200 HG2 ARG A 144 8.847 14.300 -12.478 1.00 0.00 H ATOM 2201 HG3 ARG A 144 10.578 14.023 -12.177 1.00 0.00 H ATOM 2202 HD2 ARG A 144 10.243 11.633 -12.885 1.00 0.00 H ATOM 2203 HD3 ARG A 144 9.957 12.817 -14.182 1.00 0.00 H ATOM 2204 HE ARG A 144 7.512 12.595 -13.740 1.00 0.00 H ATOM 2205 HH12 ARG A 144 8.411 8.826 -12.458 1.00 0.00 H ATOM 2206 HH11 ARG A 144 9.715 10.069 -12.515 1.00 0.00 H ATOM 2207 HH22 ARG A 144 6.262 9.375 -13.112 1.00 0.00 H ATOM 2208 HH21 ARG A 144 5.894 11.045 -13.677 1.00 0.00 H ATOM 2209 H ARG A 144 8.666 12.127 -8.650 1.00 0.00 H ATOM 2210 N GLN A 145 6.204 13.492 -10.523 1.00 15.37 N ATOM 2211 CA GLN A 145 4.875 13.776 -11.103 1.00 21.12 C ATOM 2212 C GLN A 145 4.181 14.860 -10.318 1.00 15.73 C ATOM 2213 O GLN A 145 3.566 15.780 -10.871 1.00 22.82 O ATOM 2214 CB GLN A 145 4.020 12.509 -11.091 1.00 28.26 C ATOM 2215 CG GLN A 145 2.708 12.651 -11.882 1.00 40.52 C ATOM 2216 CD GLN A 145 2.894 12.464 -13.389 1.00 40.09 C ATOM 2217 OE1 GLN A 145 3.328 13.375 -14.101 1.00 38.15 O ATOM 2218 NE2 GLN A 145 2.546 11.279 -13.876 1.00 42.28 N ATOM 2219 HA GLN A 145 5.009 14.113 -12.131 1.00 0.00 H ATOM 2220 HB2 GLN A 145 4.600 11.696 -11.527 1.00 0.00 H ATOM 2221 HB3 GLN A 145 3.776 12.266 -10.057 1.00 0.00 H ATOM 2222 HG2 GLN A 145 2.003 11.901 -11.523 1.00 0.00 H ATOM 2223 HG3 GLN A 145 2.300 13.646 -11.703 1.00 0.00 H ATOM 2224 HE22 GLN A 145 2.185 10.541 -13.239 1.00 0.00 H ATOM 2225 HE21 GLN A 145 2.634 11.089 -14.895 1.00 0.00 H ATOM 2226 H GLN A 145 6.362 12.573 -10.063 1.00 0.00 H ATOM 2227 N ILE A 146 4.319 14.789 -8.995 1.00 24.20 N ATOM 2228 CA ILE A 146 3.697 15.792 -8.173 1.00 15.37 C ATOM 2229 C ILE A 146 4.249 17.149 -8.473 1.00 14.46 C ATOM 2230 O ILE A 146 3.515 18.099 -8.562 1.00 11.58 O ATOM 2231 CB ILE A 146 3.843 15.505 -6.654 1.00 17.20 C ATOM 2232 CG1 ILE A 146 3.042 14.285 -6.261 1.00 22.04 C ATOM 2233 CG2 ILE A 146 3.347 16.724 -5.877 1.00 15.12 C ATOM 2234 CD1 ILE A 146 3.381 13.740 -4.895 1.00 27.43 C ATOM 2235 HA ILE A 146 2.635 15.762 -8.417 1.00 0.00 H ATOM 2236 HB ILE A 146 4.890 15.311 -6.422 1.00 0.00 H ATOM 2237 HG12 ILE A 146 1.985 14.551 -6.271 1.00 0.00 H ATOM 2238 HG13 ILE A 146 3.226 13.503 -6.997 1.00 0.00 H ATOM 2239 HD11 ILE A 146 4.433 13.456 -4.869 1.00 0.00 H ATOM 2240 HD12 ILE A 146 3.191 14.505 -4.143 1.00 0.00 H ATOM 2241 HD13 ILE A 146 2.762 12.866 -4.690 1.00 0.00 H ATOM 2242 HG21 ILE A 146 3.944 17.594 -6.150 1.00 0.00 H ATOM 2243 HG22 ILE A 146 2.301 16.908 -6.121 1.00 0.00 H ATOM 2244 HG23 ILE A 146 3.444 16.536 -4.808 1.00 0.00 H ATOM 2245 H ILE A 146 4.869 14.019 -8.563 1.00 0.00 H ATOM 2246 N LEU A 147 5.569 17.275 -8.611 1.00 10.52 N ATOM 2247 CA LEU A 147 6.157 18.574 -8.924 1.00 11.30 C ATOM 2248 C LEU A 147 5.789 19.048 -10.339 1.00 12.54 C ATOM 2249 O LEU A 147 5.655 20.236 -10.582 1.00 12.99 O ATOM 2250 CB LEU A 147 7.685 18.486 -8.823 1.00 13.60 C ATOM 2251 CG LEU A 147 8.202 18.428 -7.377 1.00 12.35 C ATOM 2252 CD1 LEU A 147 9.671 18.014 -7.347 1.00 23.42 C ATOM 2253 CD2 LEU A 147 8.068 19.737 -6.712 1.00 12.39 C ATOM 2254 HA LEU A 147 5.760 19.291 -8.205 1.00 0.00 H ATOM 2255 HB2 LEU A 147 8.014 17.587 -9.344 1.00 0.00 H ATOM 2256 HB3 LEU A 147 8.114 19.363 -9.308 1.00 0.00 H ATOM 2257 HG LEU A 147 7.599 17.691 -6.847 1.00 0.00 H ATOM 2258 HD21 LEU A 147 8.645 20.482 -7.259 1.00 0.00 H ATOM 2259 HD22 LEU A 147 7.018 20.029 -6.696 1.00 0.00 H ATOM 2260 HD23 LEU A 147 8.442 19.664 -5.691 1.00 0.00 H ATOM 2261 HD11 LEU A 147 9.779 17.029 -7.801 1.00 0.00 H ATOM 2262 HD12 LEU A 147 10.263 18.739 -7.905 1.00 0.00 H ATOM 2263 HD13 LEU A 147 10.016 17.979 -6.314 1.00 0.00 H ATOM 2264 H LEU A 147 6.183 16.444 -8.495 1.00 0.00 H ATOM 2265 N HIS A 148 5.631 18.109 -11.245 1.00 14.50 N ATOM 2266 CA HIS A 148 5.291 18.480 -12.625 1.00 21.27 C ATOM 2267 C HIS A 148 3.855 19.014 -12.669 1.00 24.61 C ATOM 2268 O HIS A 148 3.569 20.085 -13.220 1.00 27.28 O ATOM 2269 CB HIS A 148 5.452 17.292 -13.566 1.00 25.00 C ATOM 2270 CG HIS A 148 6.226 17.626 -14.802 1.00 36.19 C ATOM 2271 ND1 HIS A 148 5.654 17.687 -16.056 1.00 42.27 N ATOM 2272 CD2 HIS A 148 7.528 17.957 -14.966 1.00 43.12 C ATOM 2273 CE1 HIS A 148 6.580 18.018 -16.940 1.00 47.67 C ATOM 2274 NE2 HIS A 148 7.726 18.190 -16.302 1.00 42.57 N ATOM 2275 HA HIS A 148 5.975 19.260 -12.960 1.00 0.00 H ATOM 2276 HB2 HIS A 148 5.973 16.495 -13.034 1.00 0.00 H ATOM 2277 HB3 HIS A 148 4.462 16.944 -13.859 1.00 0.00 H ATOM 2278 HD2 HIS A 148 8.280 18.026 -14.180 1.00 0.00 H ATOM 2279 HE1 HIS A 148 6.425 18.130 -18.013 1.00 0.00 H ATOM 2280 H HIS A 148 5.746 17.108 -10.986 1.00 0.00 H ATOM 2281 N THR A 149 2.966 18.246 -12.072 1.00 21.80 N ATOM 2282 CA THR A 149 1.552 18.613 -11.965 1.00 23.57 C ATOM 2283 C THR A 149 1.358 19.987 -11.324 1.00 29.31 C ATOM 2284 O THR A 149 0.604 20.802 -11.847 1.00 29.83 O ATOM 2285 CB THR A 149 0.789 17.512 -11.187 1.00 26.78 C ATOM 2286 OG1 THR A 149 0.835 16.304 -11.951 1.00 29.48 O ATOM 2287 CG2 THR A 149 -0.679 17.889 -10.897 1.00 23.66 C ATOM 2288 HA THR A 149 1.142 18.687 -12.972 1.00 0.00 H ATOM 2289 HB THR A 149 1.275 17.386 -10.220 1.00 0.00 H ATOM 2290 HG1 THR A 149 1.778 16.034 -12.083 1.00 0.00 H ATOM 2291 HG23 THR A 149 -0.708 18.810 -10.315 1.00 0.00 H ATOM 2292 HG21 THR A 149 -1.208 18.036 -11.839 1.00 0.00 H ATOM 2293 HG22 THR A 149 -1.154 17.086 -10.333 1.00 0.00 H ATOM 2294 H THR A 149 3.281 17.344 -11.661 1.00 0.00 H ATOM 2295 N ARG A 150 2.033 20.268 -10.199 1.00 17.46 N ATOM 2296 CA ARG A 150 1.788 21.521 -9.471 1.00 12.46 C ATOM 2297 C ARG A 150 2.637 22.717 -9.872 1.00 23.34 C ATOM 2298 O ARG A 150 2.278 23.875 -9.618 1.00 21.33 O ATOM 2299 CB ARG A 150 1.939 21.287 -7.947 1.00 19.43 C ATOM 2300 CG ARG A 150 0.992 20.278 -7.349 1.00 21.95 C ATOM 2301 CD ARG A 150 -0.433 20.806 -7.275 1.00 14.54 C ATOM 2302 NE ARG A 150 -0.541 22.115 -6.633 1.00 20.39 N ATOM 2303 CZ ARG A 150 -0.731 22.268 -5.324 1.00 18.08 C ATOM 2304 NH1 ARG A 150 -0.844 21.207 -4.559 1.00 13.80 N ATOM 2305 NH2 ARG A 150 -0.808 23.465 -4.802 1.00 17.59 N ATOM 2306 HA ARG A 150 0.769 21.790 -9.749 1.00 0.00 H ATOM 2307 HB2 ARG A 150 2.957 20.946 -7.758 1.00 0.00 H ATOM 2308 HB3 ARG A 150 1.777 22.240 -7.443 1.00 0.00 H ATOM 2309 HG2 ARG A 150 1.002 19.378 -7.964 1.00 0.00 H ATOM 2310 HG3 ARG A 150 1.329 20.033 -6.342 1.00 0.00 H ATOM 2311 HD2 ARG A 150 -1.035 20.094 -6.710 1.00 0.00 H ATOM 2312 HD3 ARG A 150 -0.824 20.886 -8.289 1.00 0.00 H ATOM 2313 HE ARG A 150 -0.466 22.966 -7.226 1.00 0.00 H ATOM 2314 HH12 ARG A 150 -0.993 21.317 -3.536 1.00 0.00 H ATOM 2315 HH11 ARG A 150 -0.785 20.256 -4.976 1.00 0.00 H ATOM 2316 HH22 ARG A 150 -0.957 23.578 -3.779 1.00 0.00 H ATOM 2317 HH21 ARG A 150 -0.721 24.304 -5.410 1.00 0.00 H ATOM 2318 H ARG A 150 2.737 19.592 -9.839 1.00 0.00 H ATOM 2319 N ALA A 151 3.789 22.481 -10.469 1.00 24.45 N ATOM 2320 CA ALA A 151 4.612 23.622 -10.871 1.00 18.83 C ATOM 2321 C ALA A 151 4.983 24.537 -9.716 1.00 20.50 C ATOM 2322 O ALA A 151 4.961 25.762 -9.870 1.00 33.31 O ATOM 2323 CB ALA A 151 3.890 24.443 -11.947 1.00 31.80 C ATOM 2324 HA ALA A 151 5.539 23.202 -11.263 1.00 0.00 H ATOM 2325 HB1 ALA A 151 3.702 23.814 -12.817 1.00 0.00 H ATOM 2326 HB2 ALA A 151 2.943 24.808 -11.549 1.00 0.00 H ATOM 2327 HB3 ALA A 151 4.514 25.289 -12.237 1.00 0.00 H ATOM 2328 H ALA A 151 4.105 21.507 -10.650 1.00 0.00 H ATOM 2329 N PHE A 152 5.302 23.960 -8.560 1.00 17.56 N ATOM 2330 CA PHE A 152 5.800 24.757 -7.436 1.00 19.84 C ATOM 2331 C PHE A 152 7.085 25.490 -7.847 1.00 18.98 C ATOM 2332 O PHE A 152 7.934 24.912 -8.522 1.00 20.77 O ATOM 2333 CB PHE A 152 6.121 23.840 -6.264 1.00 15.91 C ATOM 2334 CG PHE A 152 4.916 23.164 -5.637 1.00 9.24 C ATOM 2335 CD1 PHE A 152 4.035 23.892 -4.860 1.00 27.32 C ATOM 2336 CD2 PHE A 152 4.743 21.794 -5.741 1.00 17.71 C ATOM 2337 CE1 PHE A 152 2.966 23.274 -4.235 1.00 22.05 C ATOM 2338 CE2 PHE A 152 3.648 21.166 -5.120 1.00 16.09 C ATOM 2339 CZ PHE A 152 2.792 21.914 -4.363 1.00 19.54 C ATOM 2340 HA PHE A 152 5.036 25.479 -7.150 1.00 0.00 H ATOM 2341 HB2 PHE A 152 6.800 23.064 -6.616 1.00 0.00 H ATOM 2342 HB3 PHE A 152 6.616 24.433 -5.495 1.00 0.00 H ATOM 2343 HD2 PHE A 152 5.459 21.199 -6.307 1.00 0.00 H ATOM 2344 HE2 PHE A 152 3.485 20.095 -5.242 1.00 0.00 H ATOM 2345 HZ PHE A 152 1.960 21.428 -3.853 1.00 0.00 H ATOM 2346 HE1 PHE A 152 2.264 23.862 -3.643 1.00 0.00 H ATOM 2347 HD1 PHE A 152 4.184 24.965 -4.738 1.00 0.00 H ATOM 2348 H PHE A 152 5.197 22.931 -8.453 1.00 0.00 H ATOM 2349 N ASP A 153 7.233 26.734 -7.423 1.00 19.39 N ATOM 2350 CA ASP A 153 8.447 27.502 -7.717 1.00 32.82 C ATOM 2351 C ASP A 153 9.662 26.809 -7.137 1.00 31.35 C ATOM 2352 O ASP A 153 9.597 26.289 -6.036 1.00 22.52 O ATOM 2353 CB ASP A 153 8.362 28.887 -7.102 1.00 25.67 C ATOM 2354 CG ASP A 153 7.444 29.816 -7.876 1.00 55.98 C ATOM 2355 OD1 ASP A 153 7.166 29.523 -9.062 1.00 61.74 O ATOM 2356 OD2 ASP A 153 7.012 30.843 -7.300 1.00 55.62 O ATOM 2357 HA ASP A 153 8.536 27.578 -8.801 1.00 0.00 H ATOM 2358 HB2 ASP A 153 7.986 28.794 -6.083 1.00 0.00 H ATOM 2359 HB3 ASP A 153 9.361 29.322 -7.081 1.00 0.00 H ATOM 2360 H ASP A 153 6.472 27.177 -6.869 1.00 0.00 H ATOM 2361 N LYS A 154 10.756 26.790 -7.892 1.00 25.01 N ATOM 2362 CA LYS A 154 12.020 26.246 -7.409 1.00 30.43 C ATOM 2363 C LYS A 154 12.579 27.146 -6.318 1.00 22.00 C ATOM 2364 O LYS A 154 12.254 28.318 -6.229 1.00 24.50 O ATOM 2365 CB LYS A 154 13.022 26.119 -8.554 1.00 27.31 C ATOM 2366 CG LYS A 154 12.580 25.132 -9.628 1.00 27.03 C ATOM 2367 CD LYS A 154 13.644 24.926 -10.705 1.00 37.26 C ATOM 2368 CE LYS A 154 14.643 23.861 -10.286 1.00 38.79 C ATOM 2369 NZ LYS A 154 15.489 23.405 -11.430 1.00 40.52 N ATOM 2370 HA LYS A 154 11.843 25.252 -6.999 1.00 0.00 H ATOM 2371 HB2 LYS A 154 13.150 27.099 -9.014 1.00 0.00 H ATOM 2372 HB3 LYS A 154 13.975 25.784 -8.146 1.00 0.00 H ATOM 2373 HG2 LYS A 154 12.369 24.172 -9.156 1.00 0.00 H ATOM 2374 HG3 LYS A 154 11.673 25.511 -10.100 1.00 0.00 H ATOM 2375 HD2 LYS A 154 13.159 24.616 -11.631 1.00 0.00 H ATOM 2376 HD3 LYS A 154 14.172 25.865 -10.869 1.00 0.00 H ATOM 2377 HE2 LYS A 154 14.099 23.005 -9.888 1.00 0.00 H ATOM 2378 HE3 LYS A 154 15.290 24.271 -9.511 1.00 0.00 H ATOM 2379 HZ1 LYS A 154 14.880 23.005 -12.172 1.00 0.00 H ATOM 2380 HZ2 LYS A 154 16.018 24.215 -11.813 1.00 0.00 H ATOM 2381 HZ3 LYS A 154 16.156 22.679 -11.099 1.00 0.00 H ATOM 2382 H LYS A 154 10.709 27.175 -8.857 1.00 0.00 H ATOM 2383 N LEU A 155 13.401 26.570 -5.459 1.00 26.13 N ATOM 2384 CA LEU A 155 13.893 27.279 -4.291 1.00 17.38 C ATOM 2385 C LEU A 155 15.324 27.750 -4.468 1.00 20.36 C ATOM 2386 O LEU A 155 16.132 27.086 -5.092 1.00 24.03 O ATOM 2387 CB LEU A 155 13.882 26.329 -3.097 1.00 23.44 C ATOM 2388 CG LEU A 155 12.594 25.581 -2.806 1.00 28.62 C ATOM 2389 CD1 LEU A 155 12.845 24.638 -1.610 1.00 27.26 C ATOM 2390 CD2 LEU A 155 11.459 26.559 -2.543 1.00 17.80 C ATOM 2391 HA LEU A 155 13.247 28.144 -4.141 1.00 0.00 H ATOM 2392 HB2 LEU A 155 14.661 25.585 -3.265 1.00 0.00 H ATOM 2393 HB3 LEU A 155 14.126 26.915 -2.211 1.00 0.00 H ATOM 2394 HG LEU A 155 12.292 24.984 -3.666 1.00 0.00 H ATOM 2395 HD21 LEU A 155 11.710 27.182 -1.684 1.00 0.00 H ATOM 2396 HD22 LEU A 155 11.313 27.189 -3.420 1.00 0.00 H ATOM 2397 HD23 LEU A 155 10.544 26.004 -2.336 1.00 0.00 H ATOM 2398 HD11 LEU A 155 13.639 23.935 -1.864 1.00 0.00 H ATOM 2399 HD12 LEU A 155 13.142 25.226 -0.742 1.00 0.00 H ATOM 2400 HD13 LEU A 155 11.931 24.090 -1.383 1.00 0.00 H ATOM 2401 H LEU A 155 13.702 25.588 -5.623 1.00 0.00 H ATOM 2402 N ASN A 156 15.619 28.894 -3.898 1.00 20.79 N ATOM 2403 CA ASN A 156 16.980 29.391 -3.814 1.00 25.80 C ATOM 2404 C ASN A 156 17.727 28.716 -2.671 1.00 19.49 C ATOM 2405 O ASN A 156 17.144 28.488 -1.618 1.00 17.76 O ATOM 2406 CB ASN A 156 16.920 30.899 -3.598 1.00 28.47 C ATOM 2407 CG ASN A 156 16.207 31.602 -4.738 1.00 38.17 C ATOM 2408 OD1 ASN A 156 16.477 31.307 -5.907 1.00 33.92 O ATOM 2409 ND2 ASN A 156 15.271 32.498 -4.414 1.00 35.29 N ATOM 2410 HA ASN A 156 17.517 29.166 -4.735 1.00 0.00 H ATOM 2411 HB2 ASN A 156 16.387 31.102 -2.669 1.00 0.00 H ATOM 2412 HB3 ASN A 156 17.936 31.286 -3.524 1.00 0.00 H ATOM 2413 HD22 ASN A 156 15.080 32.712 -3.414 1.00 0.00 H ATOM 2414 HD21 ASN A 156 14.733 32.981 -5.161 1.00 0.00 H ATOM 2415 H ASN A 156 14.850 29.465 -3.492 1.00 0.00 H ATOM 2416 N LYS A 157 18.993 28.367 -2.890 1.00 21.02 N ATOM 2417 CA LYS A 157 19.841 27.802 -1.836 1.00 25.85 C ATOM 2418 C LYS A 157 20.118 28.830 -0.751 1.00 20.73 C ATOM 2419 O LYS A 157 20.074 30.024 -1.003 1.00 18.61 O ATOM 2420 CB LYS A 157 21.163 27.283 -2.427 1.00 27.13 C ATOM 2421 CG LYS A 157 20.983 26.040 -3.267 1.00 27.79 C ATOM 2422 CD LYS A 157 22.269 25.653 -3.950 1.00 37.09 C ATOM 2423 CE LYS A 157 22.038 24.578 -5.004 1.00 47.36 C ATOM 2424 NZ LYS A 157 21.606 23.295 -4.394 1.00 57.16 N ATOM 2425 HA LYS A 157 19.306 26.966 -1.386 1.00 0.00 H ATOM 2426 HB2 LYS A 157 21.596 28.065 -3.051 1.00 0.00 H ATOM 2427 HB3 LYS A 157 21.845 27.054 -1.608 1.00 0.00 H ATOM 2428 HG2 LYS A 157 20.660 25.220 -2.625 1.00 0.00 H ATOM 2429 HG3 LYS A 157 20.221 26.229 -4.023 1.00 0.00 H ATOM 2430 HD2 LYS A 157 22.695 26.534 -4.430 1.00 0.00 H ATOM 2431 HD3 LYS A 157 22.967 25.274 -3.204 1.00 0.00 H ATOM 2432 HE2 LYS A 157 22.966 24.414 -5.552 1.00 0.00 H ATOM 2433 HE3 LYS A 157 21.266 24.919 -5.694 1.00 0.00 H ATOM 2434 HZ1 LYS A 157 22.341 22.959 -3.739 1.00 0.00 H ATOM 2435 HZ2 LYS A 157 20.717 23.441 -3.875 1.00 0.00 H ATOM 2436 HZ3 LYS A 157 21.459 22.589 -5.143 1.00 0.00 H ATOM 2437 H LYS A 157 19.394 28.500 -3.840 1.00 0.00 H ATOM 2438 N TRP A 158 20.440 28.364 0.460 1.00 23.07 N ATOM 2439 CA TRP A 158 20.716 29.286 1.571 1.00 21.78 C ATOM 2440 C TRP A 158 21.978 30.108 1.304 1.00 25.83 C ATOM 2441 O TRP A 158 22.012 31.345 1.505 1.00 23.51 O ATOM 2442 CB TRP A 158 20.886 28.504 2.876 1.00 24.64 C ATOM 2443 CG TRP A 158 20.953 29.397 4.061 1.00 22.66 C ATOM 2444 CD1 TRP A 158 22.081 29.793 4.729 1.00 31.77 C ATOM 2445 CD2 TRP A 158 19.855 30.017 4.725 1.00 23.15 C ATOM 2446 NE1 TRP A 158 21.750 30.626 5.767 1.00 25.80 N ATOM 2447 CE2 TRP A 158 20.388 30.784 5.789 1.00 22.94 C ATOM 2448 CE3 TRP A 158 18.464 29.999 4.529 1.00 27.78 C ATOM 2449 CZ2 TRP A 158 19.587 31.520 6.646 1.00 31.56 C ATOM 2450 CZ3 TRP A 158 17.671 30.742 5.376 1.00 24.83 C ATOM 2451 CH2 TRP A 158 18.230 31.491 6.424 1.00 36.32 C ATOM 2452 HA TRP A 158 19.869 29.966 1.659 1.00 0.00 H ATOM 2453 OXT TRP A 158 22.975 29.519 0.873 1.00 28.54 O ATOM 2454 HB2 TRP A 158 20.039 27.828 2.993 1.00 0.00 H ATOM 2455 HB3 TRP A 158 21.807 27.924 2.821 1.00 0.00 H ATOM 2456 HE1 TRP A 158 22.421 31.066 6.429 1.00 0.00 H ATOM 2457 HD1 TRP A 158 23.096 29.490 4.473 1.00 0.00 H ATOM 2458 HZ2 TRP A 158 20.015 32.099 7.464 1.00 0.00 H ATOM 2459 HH2 TRP A 158 17.572 32.064 7.078 1.00 0.00 H ATOM 2460 HZ3 TRP A 158 16.591 30.749 5.230 1.00 0.00 H ATOM 2461 HE3 TRP A 158 18.022 29.410 3.725 1.00 0.00 H ATOM 2462 H TRP A 158 20.496 27.338 0.618 1.00 0.00 H TER 2463 TRP A 158 HETATM 2464 O HOH 1 9.841 10.627 -8.675 1.00 17.28 O HETATM 2465 O HOH 2 6.322 5.997 3.763 1.00 14.88 O HETATM 2466 O HOH 3 11.792 20.827 4.202 1.00 15.08 O HETATM 2467 O HOH 4 17.045 15.877 -8.357 1.00 19.94 O HETATM 2468 O HOH 5 0.897 14.728 1.371 1.00 20.61 O HETATM 2469 O HOH 6 23.507 6.789 15.397 1.00 33.26 O HETATM 2470 O HOH 7 25.638 23.891 15.409 1.00 19.67 O HETATM 2471 O HOH 8 20.034 12.211 19.091 1.00 18.47 O HETATM 2472 O HOH 9 -0.307 18.739 -4.847 1.00 18.95 O HETATM 2473 O HOH 10 11.468 22.837 18.146 1.00 28.56 O HETATM 2474 O HOH 11 15.607 8.766 -6.310 1.00 22.18 O HETATM 2475 O HOH 12 -0.116 24.346 -2.151 1.00 20.73 O HETATM 2476 O HOH 13 21.239 28.908 14.598 1.00 26.05 O HETATM 2477 O HOH 14 16.303 33.259 8.542 1.00 29.84 O HETATM 2478 O HOH 15 14.062 9.774 22.545 1.00 31.57 O HETATM 2479 O HOH 16 10.839 8.916 -11.858 1.00 35.66 O HETATM 2480 O HOH 17 1.155 7.396 -0.721 1.00 28.33 O HETATM 2481 O HOH 18 -1.049 7.884 5.179 1.00 26.72 O HETATM 2482 O HOH 19 1.193 9.688 -1.377 1.00 39.87 O HETATM 2483 O HOH 20 -1.691 24.707 0.177 1.00 24.32 O HETATM 2484 O HOH 21 2.059 -0.074 5.368 1.00 27.12 O HETATM 2485 O HOH 22 10.909 5.054 -4.393 1.00 24.87 O HETATM 2486 O HOH 23 13.487 30.410 -2.334 1.00 31.74 O HETATM 2487 O HOH 24 23.434 17.988 18.456 1.00 32.91 O HETATM 2488 O HOH 25 7.352 4.352 -0.881 1.00 28.25 O HETATM 2489 O HOH 26 19.282 16.766 20.860 1.00 25.72 O HETATM 2490 O HOH 27 5.760 21.678 7.058 1.00 31.48 O HETATM 2491 O HOH 28 4.559 25.871 -1.542 1.00 29.28 O HETATM 2492 O HOH 29 9.054 -0.349 3.599 1.00 31.56 O HETATM 2493 O HOH 30 1.950 10.688 -9.537 1.00 29.95 O HETATM 2494 O HOH 31 17.989 10.321 -11.565 1.00 39.29 O HETATM 2495 O HOH 32 1.414 13.859 8.908 1.00 25.10 O HETATM 2496 O HOH 33 0.129 24.637 -8.292 1.00 27.12 O HETATM 2497 O HOH 34 23.636 26.992 0.778 1.00 33.68 O HETATM 2498 O HOH 35 -1.168 6.839 1.345 1.00 39.97 O HETATM 2499 O HOH 36 12.372 11.531 -11.387 1.00 28.77 O HETATM 2500 O HOH 37 -1.438 12.071 12.962 1.00 25.54 O HETATM 2501 O HOH 38 8.006 26.058 -3.789 1.00 29.32 O HETATM 2502 O HOH 39 -0.957 23.813 2.557 1.00 36.66 O HETATM 2503 O HOH 40 -0.852 10.071 4.144 1.00 24.98 O HETATM 2504 O HOH 41 2.262 -0.487 2.956 1.00 35.68 O HETATM 2505 O HOH 42 15.629 20.200 -5.773 1.00 29.66 O HETATM 2506 O HOH 43 19.964 29.212 -5.186 1.00 25.27 O HETATM 2507 O HOH 44 1.925 5.713 16.457 1.00 30.95 O HETATM 2508 O HOH 45 19.490 15.356 -7.646 1.00 33.85 O HETATM 2509 O HOH 46 10.643 28.658 -10.328 1.00 38.30 O HETATM 2510 O HOH 47 -4.398 19.308 3.267 1.00 35.31 O HETATM 2511 O HOH 48 11.315 1.709 -0.327 1.00 38.87 O HETATM 2512 O HOH 49 6.159 5.096 21.383 1.00 45.37 O HETATM 2513 O HOH 50 14.511 24.134 -5.910 1.00 35.61 O HETATM 2514 O HOH 51 3.893 0.608 -2.720 1.00 36.73 O HETATM 2515 O HOH 52 23.296 24.521 0.609 1.00 28.61 O HETATM 2516 O HOH 53 7.187 26.822 -0.802 1.00 34.04 O HETATM 2517 O HOH 54 3.259 16.674 -15.812 1.00 39.59 O HETATM 2518 O HOH 55 -0.634 16.111 17.182 1.00 49.05 O HETATM 2519 O HOH 56 15.168 6.992 -4.518 1.00 41.52 O HETATM 2520 O HOH 57 25.150 10.162 10.548 1.00 36.74 O HETATM 2521 O HOH 58 -0.761 10.205 1.326 1.00 44.28 O HETATM 2522 O HOH 59 18.793 33.663 15.150 1.00 44.35 O HETATM 2523 O HOH 60 7.010 29.363 1.608 1.00 39.65 O HETATM 2524 O HOH 61 -3.211 17.319 1.928 1.00 31.86 O HETATM 2525 O HOH 62 6.587 -2.137 3.626 1.00 42.13 O HETATM 2526 O HOH 63 9.730 25.314 9.913 1.00 34.70 O HETATM 2527 O HOH 64 19.191 12.532 -11.165 1.00 27.80 O HETATM 2528 O HOH 65 10.800 39.810 6.592 1.00 44.93 O HETATM 2529 O HOH 66 25.883 21.269 17.668 1.00 39.64 O HETATM 2530 O HOH 67 5.326 2.068 -3.987 1.00 40.01 O HETATM 2531 O HOH 68 13.541 6.840 -13.829 1.00 41.22 O HETATM 2532 O HOH 69 26.687 23.016 8.138 1.00 29.94 O HETATM 2533 O HOH 70 16.683 19.611 -8.291 1.00 37.27 O HETATM 2534 O HOH 71 2.796 11.920 19.491 1.00 38.00 O HETATM 2535 O HOH 72 21.679 21.729 -6.791 1.00 40.54 O HETATM 2536 O HOH 73 13.030 0.258 10.518 1.00 34.47 O HETATM 2537 O HOH 74 26.118 8.676 12.469 1.00 39.74 O HETATM 2538 O HOH 75 0.918 9.120 -10.914 1.00 34.86 O HETATM 2539 O HOH 76 13.931 5.522 -5.589 1.00 37.12 O HETATM 2540 O HOH 77 12.872 29.065 -11.298 1.00 37.86 O HETATM 2541 O HOH 78 9.114 15.053 15.085 1.00 25.10 O HETATM 2542 O HOH 79 10.434 6.424 -10.572 1.00 32.71 O HETATM 2543 O HOH 80 -1.578 22.040 -11.465 1.00 38.44 O HETATM 2544 O HOH 81 15.177 28.329 -12.330 1.00 49.70 O HETATM 2545 O HOH 82 23.574 29.980 13.149 1.00 39.15 O HETATM 2546 O HOH 83 30.063 30.257 15.902 1.00 33.95 O HETATM 2547 O HOH 84 17.487 8.033 -5.093 1.00 43.26 O HETATM 2548 O HOH 85 5.121 27.994 -5.150 1.00 33.41 O HETATM 2549 O HOH 86 13.399 1.786 2.700 1.00 27.99 O HETATM 2550 O HOH 87 19.850 32.343 -0.816 1.00 27.52 O HETATM 2551 O HOH 88 22.751 31.367 10.127 1.00 35.93 O HETATM 2552 O HOH 89 -0.953 16.023 -6.710 1.00 36.33 O HETATM 2553 O HOH 90 8.455 30.044 -11.671 1.00 45.39 O HETATM 2554 O HOH 91 16.472 26.720 -13.274 1.00 44.14 O HETATM 2555 C1 J A 1 1.921 17.243 15.588 1.00 0.10 C HETATM 2556 O1 J A 1 1.964 16.456 14.402 1.00 -0.34 O HETATM 2557 C4 J A 1 2.201 15.101 14.714 1.00 0.20 C HETATM 2558 N1 J A 1 2.629 14.362 13.483 1.00 -0.19 N HETATM 2559 C5 J A 1 1.739 13.533 12.726 1.00 0.11 C HETATM 2560 N2 J A 1 2.303 12.985 11.646 1.00 -0.30 N HETATM 2561 C6 J A 1 3.624 13.457 11.649 1.00 0.10 C HETATM 2562 C7 J A 1 4.716 13.230 10.760 1.00 0.13 C HETATM 2563 N3 J A 1 4.639 12.439 9.655 1.00 -0.32 N HETATM 2564 H J A 1 3.764 11.969 9.424 1.00 0.18 H HETATM 2565 H J A 1 5.457 12.316 9.058 1.00 0.18 H HETATM 2566 N4 J A 1 5.922 13.830 11.030 1.00 -0.27 N HETATM 2567 C8 J A 1 5.974 14.614 12.130 1.00 0.05 C HETATM 2568 N5 J A 1 5.020 14.919 13.035 1.00 -0.27 N HETATM 2569 C9 J A 1 3.836 14.310 12.771 1.00 0.16 C HETATM 2570 H J A 1 6.944 15.075 12.316 1.00 0.10 H HETATM 2571 H J A 1 0.699 13.365 13.005 1.00 0.13 H HETATM 2572 C3 J A 1 3.205 15.124 15.883 1.00 0.14 C HETATM 2573 C2 J A 1 2.917 16.540 16.568 1.00 0.11 C HETATM 2574 O2 J A 1 2.267 16.391 17.793 1.00 -0.39 O HETATM 2575 H J A 1 1.480 15.855 17.673 1.00 0.21 H HETATM 2576 H J A 1 3.844 17.085 16.745 1.00 0.06 H HETATM 2577 O3 J A 1 2.964 14.052 16.765 1.00 -0.38 O HETATM 2578 H J A 1 3.148 13.223 16.317 1.00 0.21 H HETATM 2579 H J A 1 4.245 15.010 15.576 1.00 0.07 H HETATM 2580 H J A 1 1.320 14.548 15.040 1.00 0.10 H HETATM 2581 C10 J A 1 2.162 18.779 15.301 1.00 0.02 C HETATM 2582 S1 J A 1 3.931 19.384 15.145 1.00 -0.15 S HETATM 2583 C11 J A 1 4.979 18.306 13.936 1.00 0.00 C HETATM 2584 C12 J A 1 4.235 18.030 12.643 1.00 -0.06 C HETATM 2585 C13 J A 1 4.017 19.347 11.882 1.00 -0.11 C HETATM 2586 N6 J A 1 5.294 19.996 11.416 1.00 0.40 N HETATM 2587 C14 J A 1 6.387 20.033 12.495 1.00 -0.11 C HETATM 2588 C15 J A 1 6.367 18.880 13.556 1.00 -0.06 C HETATM 2589 H J A 1 6.921 18.054 13.111 1.00 0.03 H HETATM 2590 H J A 1 6.775 19.308 14.472 1.00 0.03 H HETATM 2591 H J A 1 6.228 20.956 13.052 1.00 0.00 H HETATM 2592 H J A 1 7.335 19.938 11.966 1.00 0.00 H HETATM 2593 C16 J A 1 4.981 21.279 10.616 1.00 -0.09 C HETATM 2594 C27 J A 1 5.297 22.686 11.185 1.00 0.01 C HETATM 2595 N28 J A 1 5.725 23.637 10.121 1.00 -0.28 N HETATM 2596 C18 J A 1 5.448 25.006 10.166 1.00 0.25 C HETATM 2597 O4 J A 1 4.812 25.488 11.104 1.00 -0.37 O HETATM 2598 C21 J A 1 5.896 25.937 9.060 1.00 0.18 C HETATM 2599 N11 J A 1 6.993 25.589 8.470 1.00 -0.16 N HETATM 2600 C26 J A 1 7.447 26.340 7.401 1.00 0.30 C HETATM 2601 C20 J A 1 8.670 25.873 6.797 1.00 0.25 C HETATM 2602 O5 J A 1 9.362 24.901 7.068 1.00 -0.38 O HETATM 2603 N10 J A 1 9.126 26.635 5.694 1.00 -0.24 N HETATM 2604 C19 J A 1 8.443 27.756 5.285 1.00 0.22 C HETATM 2605 N8 J A 1 7.290 28.217 5.846 1.00 -0.18 N HETATM 2606 C25 J A 1 6.818 27.481 6.923 1.00 0.34 C HETATM 2607 N12 J A 1 5.679 27.889 7.554 1.00 -0.12 N HETATM 2608 C22 J A 1 5.087 27.190 8.734 1.00 0.16 C HETATM 2609 C23 J A 1 4.988 28.245 9.833 1.00 -0.04 C HETATM 2610 H J A 1 5.983 28.629 10.057 1.00 0.02 H HETATM 2611 H J A 1 4.350 29.062 9.495 1.00 0.02 H HETATM 2612 H J A 1 4.560 27.795 10.729 1.00 0.02 H HETATM 2613 C24 J A 1 3.645 26.773 8.387 1.00 -0.04 C HETATM 2614 H J A 1 3.059 27.660 8.149 1.00 0.02 H HETATM 2615 H J A 1 3.659 26.103 7.527 1.00 0.02 H HETATM 2616 H J A 1 3.201 26.261 9.241 1.00 0.02 H HETATM 2617 H J A 1 6.808 29.046 5.498 1.00 0.27 H HETATM 2618 N9 J A 1 8.997 28.429 4.217 1.00 -0.33 N HETATM 2619 H J A 1 8.544 29.267 3.852 1.00 0.18 H HETATM 2620 H J A 1 9.860 28.089 3.792 1.00 0.18 H HETATM 2621 H J A 1 9.970 26.349 5.198 1.00 0.19 H HETATM 2622 H J A 1 6.548 26.942 7.272 1.00 0.14 H HETATM 2623 H J A 1 6.244 23.272 9.323 1.00 0.19 H HETATM 2624 H J A 1 6.112 22.588 11.902 1.00 0.05 H HETATM 2625 H J A 1 4.391 23.078 11.647 1.00 0.05 H HETATM 2626 H J A 1 3.895 21.272 10.528 1.00 0.00 H HETATM 2627 H J A 1 5.624 21.202 9.739 1.00 0.00 H HETATM 2628 H J A 1 3.426 19.117 10.995 1.00 0.00 H HETATM 2629 H J A 1 3.529 20.042 12.566 1.00 0.00 H HETATM 2630 H J A 1 3.269 17.579 12.870 1.00 0.03 H HETATM 2631 H J A 1 4.821 17.348 12.027 1.00 0.03 H HETATM 2632 H J A 1 5.147 17.395 14.510 1.00 0.04 H HETATM 2633 H J A 1 1.755 19.301 16.167 1.00 0.04 H HETATM 2634 H J A 1 1.708 18.965 14.328 1.00 0.04 H HETATM 2635 H J A 1 0.936 17.280 16.054 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1246 1247 1260 1261 1262 CONECT 1260 1246 CONECT 1261 1246 CONECT 1262 1246 CONECT 2555 2556 2573 2581 2635 CONECT 2556 2555 2557 CONECT 2557 2556 2558 2572 2580 CONECT 2558 2557 2559 2569 CONECT 2559 2558 2560 2571 CONECT 2560 2559 2561 CONECT 2561 2560 2562 2569 CONECT 2562 2561 2563 2566 CONECT 2563 2562 2564 2565 CONECT 2564 2563 CONECT 2565 2563 CONECT 2566 2562 2567 CONECT 2567 2566 2568 2570 CONECT 2568 2567 2569 CONECT 2569 2558 2561 2568 CONECT 2570 2567 CONECT 2571 2559 CONECT 2572 2557 2573 2577 2579 CONECT 2573 2555 2572 2574 2576 CONECT 2574 2573 2575 CONECT 2575 2574 CONECT 2576 2573 CONECT 2577 2572 2578 CONECT 2578 2577 CONECT 2579 2572 CONECT 2580 2557 CONECT 2581 2555 2582 2633 2634 CONECT 2582 2581 2583 CONECT 2583 2582 2584 2588 2632 CONECT 2584 2583 2585 2630 2631 CONECT 2585 2584 2586 2628 2629 CONECT 2586 2585 2587 2593 CONECT 2587 2586 2588 2591 2592 CONECT 2588 2583 2587 2589 2590 CONECT 2589 2588 CONECT 2590 2588 CONECT 2591 2587 CONECT 2592 2587 CONECT 2593 2586 2594 2626 2627 CONECT 2594 2593 2595 2624 2625 CONECT 2595 2594 2596 2623 CONECT 2596 2595 2597 2598 CONECT 2597 2596 CONECT 2598 2596 2599 2608 CONECT 2599 2598 2600 CONECT 2600 2599 2601 2606 2622 CONECT 2601 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 2604 2621 CONECT 2604 2603 2605 2618 CONECT 2605 2604 2606 2617 CONECT 2606 2600 2605 2607 CONECT 2607 2606 2608 CONECT 2608 2598 2607 2609 2613 CONECT 2609 2608 2610 2611 2612 CONECT 2610 2609 CONECT 2611 2609 CONECT 2612 2609 CONECT 2613 2608 2614 2615 2616 CONECT 2614 2613 CONECT 2615 2613 CONECT 2616 2613 CONECT 2617 2605 CONECT 2618 2604 2619 2620 CONECT 2619 2618 CONECT 2620 2618 CONECT 2621 2603 CONECT 2622 2600 CONECT 2623 2595 CONECT 2624 2594 CONECT 2625 2594 CONECT 2626 2593 CONECT 2627 2593 CONECT 2628 2585 CONECT 2629 2585 CONECT 2630 2584 CONECT 2631 2584 CONECT 2632 2583 CONECT 2633 2581 CONECT 2634 2581 CONECT 2635 2555 MASTER 0 0 0 0 0 0 0 0 2633 2 89 13 END
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Related entries of code: 3udv
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PDB Code
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Protein Sequence Similarity
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158aa, >1EX8_1|Chain... at 100%
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4m5g
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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
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PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5k
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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
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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
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3udv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Ligand Name
J1C
EC.Number
E.C.2.7.6.3
Resolution
1.88(Å)
Affinity (Kd/Ki/IC50)
Kd=2.55uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem. Vol. 20: pp. 47-57
Ligand Properties
Formula
C
2
6
H
3
8
N
1
2
O
5
S
Molecular Weight
630.722
Exact Mass
630.281
No. of atoms
82
No. of bonds
87
Polar Surface Area
271.96
LOGP Value
-1.09 (
Computed with XLOGP3
)
-1.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 6
Canonical SMILES
O[C@@H]1[C@@H](CS[C@@H]2CC[N@@H+](CC2)CCNC(=O)C2=N[C@@H]3C(=O)NC(=[NH+]C3=NC2(C)C)N)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,15-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H3,28,34,35,36,41)/p+2/t13-,15+,16-,17-,24-/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
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