Browse entries in the PDBbind-CN Database
HEADER 4KOT_COMPLEX COMPND 4KOT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 MET GLN LEU SER HIS ARG PRO ALA GLU THR GLY ASP LEU SEQRES 2 A 159 GLU THR VAL ALA GLY PHE PRO GLN ASP ARG ASP GLU LEU SEQRES 3 A 159 PHE TYR CYS TYR PRO LYS ALA ILE TRP PRO PHE SER VAL SEQRES 4 A 159 ALA GLN LEU ALA ALA ALA ILE ALA GLU ARG ARG GLY SER SEQRES 5 A 159 THR VAL ALA VAL HIS ASP GLY GLN VAL LEU GLY PHE ALA SEQRES 6 A 159 ASN PHE TYR GLN TRP GLN HIS GLY ASP PHE CYS ALA LEU SEQRES 7 A 159 GLY ASN MET MET VAL ALA PRO ALA ALA ARG GLY LEU GLY SEQRES 8 A 159 VAL ALA ARG TYR LEU ILE GLY VAL MET GLU ASN LEU ALA SEQRES 9 A 159 ARG GLU GLN TYR LYS ALA ARG LEU MET LYS ILE SER CYS SEQRES 10 A 159 PHE ASN ALA ASN ALA ALA GLY LEU LEU LEU TYR THR GLN SEQRES 11 A 159 LEU GLY TYR GLN PRO ARG ALA ILE ALA GLU ARG HIS ASP SEQRES 12 A 159 PRO ASP GLY ARG ARG VAL ALA LEU ILE GLN MET ASP LYS SEQRES 13 A 159 PRO LEU GLU HET CE A 3 46 ATOM 1 N MET A 1 27.948 29.473 5.910 1.00 86.81 N ATOM 2 CA MET A 1 26.525 29.080 5.635 1.00 82.30 C ATOM 3 C MET A 1 25.575 29.729 6.650 1.00 77.01 C ATOM 4 O MET A 1 25.638 29.416 7.838 1.00 76.88 O ATOM 5 CB MET A 1 26.372 27.549 5.672 1.00 80.81 C ATOM 6 CG MET A 1 27.141 26.807 4.583 1.00 79.10 C ATOM 7 SD MET A 1 26.455 27.006 2.923 1.00 78.99 S ATOM 8 CE MET A 1 24.955 26.034 3.076 1.00 71.50 C ATOM 9 HA MET A 1 26.262 29.436 4.639 1.00 0.00 H ATOM 10 HB2 MET A 1 26.726 27.195 6.640 1.00 0.00 H ATOM 11 HB3 MET A 1 25.314 27.310 5.564 1.00 0.00 H ATOM 12 HG2 MET A 1 27.141 25.745 4.828 1.00 0.00 H ATOM 13 HG3 MET A 1 28.166 27.177 4.576 1.00 0.00 H ATOM 14 HE1 MET A 1 25.214 25.005 3.325 1.00 0.00 H ATOM 15 HE2 MET A 1 24.330 26.454 3.864 1.00 0.00 H ATOM 16 HE3 MET A 1 24.412 26.054 2.131 1.00 0.00 H ATOM 17 HN3 MET A 1 28.214 29.161 6.866 1.00 0.00 H ATOM 18 HN2 MET A 1 28.040 30.507 5.843 1.00 0.00 H ATOM 19 HN1 MET A 1 28.572 29.022 5.211 1.00 0.00 H ATOM 20 N GLN A 2 24.700 30.630 6.182 1.00 77.64 N ATOM 21 CA GLN A 2 23.708 31.316 7.058 1.00 71.26 C ATOM 22 C GLN A 2 22.339 30.583 7.213 1.00 56.19 C ATOM 23 O GLN A 2 21.277 31.030 6.700 1.00 58.02 O ATOM 24 CB GLN A 2 23.503 32.778 6.602 1.00 71.84 C ATOM 25 CG GLN A 2 22.476 33.573 7.410 1.00 76.54 C ATOM 26 CD GLN A 2 22.566 33.331 8.913 1.00 80.42 C ATOM 27 OE1 GLN A 2 23.657 33.151 9.458 1.00 83.00 O ATOM 28 NE2 GLN A 2 21.418 33.334 9.590 1.00 79.90 N ATOM 29 HA GLN A 2 24.147 31.295 8.056 1.00 0.00 H ATOM 30 HB2 GLN A 2 24.461 33.292 6.675 1.00 0.00 H ATOM 31 HB3 GLN A 2 23.177 32.765 5.562 1.00 0.00 H ATOM 32 HG2 GLN A 2 22.635 34.635 7.221 1.00 0.00 H ATOM 33 HG3 GLN A 2 21.478 33.291 7.074 1.00 0.00 H ATOM 34 HE22 GLN A 2 20.520 33.490 9.090 1.00 0.00 H ATOM 35 HE21 GLN A 2 21.420 33.180 10.619 1.00 0.00 H ATOM 36 H GLN A 2 24.714 30.860 5.168 1.00 0.00 H ATOM 37 N LEU A 3 22.361 29.496 7.982 1.00 40.78 N ATOM 38 CA LEU A 3 21.225 28.575 8.023 1.00 35.06 C ATOM 39 C LEU A 3 20.126 28.966 9.015 1.00 30.81 C ATOM 40 O LEU A 3 20.395 29.472 10.105 1.00 32.84 O ATOM 41 CB LEU A 3 21.715 27.148 8.294 1.00 34.55 C ATOM 42 CG LEU A 3 22.499 26.531 7.129 1.00 34.03 C ATOM 43 CD1 LEU A 3 23.478 25.424 7.501 1.00 35.17 C ATOM 44 CD2 LEU A 3 21.493 25.955 6.148 1.00 36.70 C ATOM 45 HA LEU A 3 20.758 28.632 7.040 1.00 0.00 H ATOM 46 HB2 LEU A 3 22.361 27.167 9.172 1.00 0.00 H ATOM 47 HB3 LEU A 3 20.848 26.519 8.496 1.00 0.00 H ATOM 48 HG LEU A 3 23.108 27.337 6.719 1.00 0.00 H ATOM 49 HD21 LEU A 3 20.895 25.193 6.648 1.00 0.00 H ATOM 50 HD22 LEU A 3 20.842 26.751 5.788 1.00 0.00 H ATOM 51 HD23 LEU A 3 22.023 25.508 5.307 1.00 0.00 H ATOM 52 HD11 LEU A 3 24.221 25.816 8.195 1.00 0.00 H ATOM 53 HD12 LEU A 3 22.936 24.604 7.972 1.00 0.00 H ATOM 54 HD13 LEU A 3 23.975 25.063 6.601 1.00 0.00 H ATOM 55 H LEU A 3 23.200 29.298 8.564 1.00 0.00 H ATOM 56 N SER A 4 18.867 28.715 8.643 1.00 24.93 N ATOM 57 CA SER A 4 17.746 28.831 9.535 1.00 26.25 C ATOM 58 C SER A 4 16.931 27.540 9.408 1.00 24.76 C ATOM 59 O SER A 4 17.223 26.725 8.531 1.00 23.17 O ATOM 60 CB SER A 4 16.906 30.090 9.171 1.00 26.30 C ATOM 61 OG SER A 4 16.390 30.007 7.846 1.00 30.84 O ATOM 62 HA SER A 4 18.068 28.957 10.569 1.00 0.00 H ATOM 63 HB2 SER A 4 17.539 30.974 9.250 1.00 0.00 H ATOM 64 HB3 SER A 4 16.075 30.176 9.871 1.00 0.00 H ATOM 65 HG SER A 4 17.141 29.934 7.205 1.00 0.00 H ATOM 66 H SER A 4 18.690 28.422 7.661 1.00 0.00 H ATOM 67 N HIS A 5 15.911 27.392 10.218 1.00 24.86 N ATOM 68 CA HIS A 5 15.073 26.246 10.167 1.00 22.34 C ATOM 69 C HIS A 5 13.623 26.574 10.521 1.00 23.46 C ATOM 70 O HIS A 5 13.357 27.626 11.125 1.00 25.04 O ATOM 71 CB HIS A 5 15.632 25.152 11.084 1.00 23.38 C ATOM 72 CG HIS A 5 15.500 25.492 12.536 1.00 24.19 C ATOM 73 ND1 HIS A 5 16.500 26.165 13.220 1.00 28.94 N ATOM 74 CD2 HIS A 5 14.497 25.302 13.412 1.00 25.41 C ATOM 75 CE1 HIS A 5 16.101 26.355 14.462 1.00 28.45 C ATOM 76 NE2 HIS A 5 14.887 25.875 14.600 1.00 31.17 N ATOM 77 HA HIS A 5 15.066 25.881 9.140 1.00 0.00 H ATOM 78 HB2 HIS A 5 15.091 24.225 10.892 1.00 0.00 H ATOM 79 HB3 HIS A 5 16.688 25.009 10.854 1.00 0.00 H ATOM 80 HD2 HIS A 5 13.554 24.791 13.217 1.00 0.00 H ATOM 81 HE1 HIS A 5 16.685 26.834 15.248 1.00 0.00 H ATOM 82 H HIS A 5 15.710 28.135 10.918 1.00 0.00 H ATOM 83 N ARG A 6 12.691 25.756 10.094 1.00 20.95 N ATOM 84 CA ARG A 6 11.247 25.890 10.412 1.00 18.90 C ATOM 85 C ARG A 6 10.584 24.587 10.119 1.00 21.01 C ATOM 86 O ARG A 6 11.191 23.706 9.426 1.00 19.90 O ATOM 87 CB ARG A 6 10.578 27.015 9.574 1.00 20.29 C ATOM 88 CG ARG A 6 10.814 26.893 8.063 1.00 21.04 C ATOM 89 CD ARG A 6 9.886 27.837 7.277 1.00 21.07 C ATOM 90 NE ARG A 6 10.187 27.781 5.837 1.00 20.47 N ATOM 91 CZ ARG A 6 9.782 26.794 5.033 1.00 19.52 C ATOM 92 NH1 ARG A 6 9.028 25.775 5.467 1.00 20.37 N ATOM 93 NH2 ARG A 6 10.124 26.850 3.753 1.00 20.81 N ATOM 94 HA ARG A 6 11.139 26.156 11.464 1.00 0.00 H ATOM 95 HB2 ARG A 6 9.504 26.986 9.757 1.00 0.00 H ATOM 96 HB3 ARG A 6 10.976 27.973 9.907 1.00 0.00 H ATOM 97 HG2 ARG A 6 11.851 27.148 7.843 1.00 0.00 H ATOM 98 HG3 ARG A 6 10.621 25.866 7.754 1.00 0.00 H ATOM 99 HD2 ARG A 6 10.028 28.857 7.633 1.00 0.00 H ATOM 100 HD3 ARG A 6 8.850 27.538 7.438 1.00 0.00 H ATOM 101 HE ARG A 6 10.746 28.553 5.422 1.00 0.00 H ATOM 102 HH12 ARG A 6 8.735 25.027 4.807 1.00 0.00 H ATOM 103 HH11 ARG A 6 8.736 25.732 6.464 1.00 0.00 H ATOM 104 HH22 ARG A 6 9.824 26.097 3.101 1.00 0.00 H ATOM 105 HH21 ARG A 6 10.692 27.647 3.401 1.00 0.00 H ATOM 106 H ARG A 6 12.983 24.960 9.492 1.00 0.00 H ATOM 107 N PRO A 7 9.366 24.330 10.621 1.00 20.47 N ATOM 108 CA PRO A 7 8.651 23.145 10.311 1.00 19.02 C ATOM 109 C PRO A 7 8.447 23.028 8.813 1.00 18.11 C ATOM 110 O PRO A 7 8.276 24.057 8.083 1.00 20.65 O ATOM 111 CB PRO A 7 7.305 23.265 11.074 1.00 22.04 C ATOM 112 CG PRO A 7 7.681 24.152 12.183 1.00 22.67 C ATOM 113 CD PRO A 7 8.707 25.114 11.718 1.00 21.71 C ATOM 114 HA PRO A 7 9.187 22.245 10.610 1.00 0.00 H ATOM 115 HD3 PRO A 7 8.254 26.030 11.338 1.00 0.00 H ATOM 116 HD2 PRO A 7 9.412 25.361 12.512 1.00 0.00 H ATOM 117 HG3 PRO A 7 8.084 23.558 13.003 1.00 0.00 H ATOM 118 HG2 PRO A 7 6.802 24.696 12.528 1.00 0.00 H ATOM 119 HB2 PRO A 7 6.531 23.712 10.450 1.00 0.00 H ATOM 120 HB3 PRO A 7 6.963 22.295 11.436 1.00 0.00 H ATOM 121 N ALA A 8 8.514 21.834 8.319 1.00 19.08 N ATOM 122 CA ALA A 8 8.220 21.565 6.915 1.00 19.68 C ATOM 123 C ALA A 8 6.756 21.977 6.564 1.00 19.93 C ATOM 124 O ALA A 8 5.818 21.782 7.364 1.00 22.52 O ATOM 125 CB ALA A 8 8.430 20.090 6.565 1.00 20.56 C ATOM 126 HA ALA A 8 8.915 22.163 6.325 1.00 0.00 H ATOM 127 HB1 ALA A 8 9.467 19.816 6.757 1.00 0.00 H ATOM 128 HB2 ALA A 8 7.771 19.475 7.178 1.00 0.00 H ATOM 129 HB3 ALA A 8 8.201 19.932 5.511 1.00 0.00 H ATOM 130 H ALA A 8 8.785 21.044 8.939 1.00 0.00 H ATOM 131 N GLU A 9 6.552 22.439 5.310 1.00 20.64 N ATOM 132 CA GLU A 9 5.254 22.906 4.803 1.00 22.07 C ATOM 133 C GLU A 9 4.978 22.186 3.513 1.00 21.53 C ATOM 134 O GLU A 9 5.893 21.685 2.836 1.00 21.64 O ATOM 135 CB GLU A 9 5.293 24.439 4.588 1.00 22.37 C ATOM 136 CG GLU A 9 5.569 25.174 5.906 1.00 22.80 C ATOM 137 CD GLU A 9 5.723 26.707 5.770 1.00 27.83 C ATOM 138 OE1 GLU A 9 5.721 27.264 4.637 1.00 27.25 O ATOM 139 OE2 GLU A 9 5.862 27.389 6.813 1.00 28.69 O ATOM 140 HA GLU A 9 4.459 22.694 5.518 1.00 0.00 H ATOM 141 HB2 GLU A 9 6.081 24.679 3.874 1.00 0.00 H ATOM 142 HB3 GLU A 9 4.333 24.768 4.191 1.00 0.00 H ATOM 143 HG2 GLU A 9 4.741 24.974 6.586 1.00 0.00 H ATOM 144 HG3 GLU A 9 6.491 24.776 6.331 1.00 0.00 H ATOM 145 H GLU A 9 7.366 22.466 4.663 1.00 0.00 H ATOM 146 N THR A 10 3.710 22.151 3.148 1.00 22.07 N ATOM 147 CA THR A 10 3.262 21.553 1.898 1.00 22.03 C ATOM 148 C THR A 10 4.049 22.032 0.714 1.00 20.66 C ATOM 149 O THR A 10 4.449 21.239 -0.135 1.00 22.44 O ATOM 150 CB THR A 10 1.760 21.847 1.678 1.00 25.81 C ATOM 151 OG1 THR A 10 1.011 21.269 2.743 1.00 26.59 O ATOM 152 CG2 THR A 10 1.310 21.308 0.337 1.00 25.01 C ATOM 153 HA THR A 10 3.425 20.479 1.983 1.00 0.00 H ATOM 154 HB THR A 10 1.592 22.924 1.673 1.00 0.00 H ATOM 155 HG1 THR A 10 0.048 21.455 2.606 1.00 0.00 H ATOM 156 HG23 THR A 10 1.901 21.768 -0.455 1.00 0.00 H ATOM 157 HG21 THR A 10 1.451 20.227 0.315 1.00 0.00 H ATOM 158 HG22 THR A 10 0.256 21.541 0.188 1.00 0.00 H ATOM 159 H THR A 10 2.999 22.569 3.781 1.00 0.00 H ATOM 160 N GLY A 11 4.325 23.339 0.665 1.00 20.91 N ATOM 161 CA GLY A 11 5.056 23.912 -0.434 1.00 22.09 C ATOM 162 C GLY A 11 6.513 23.490 -0.612 1.00 21.91 C ATOM 163 O GLY A 11 7.117 23.606 -1.676 1.00 22.56 O ATOM 164 HA3 GLY A 11 5.043 24.994 -0.305 1.00 0.00 H ATOM 165 HA2 GLY A 11 4.526 23.650 -1.350 1.00 0.00 H ATOM 166 H GLY A 11 4.004 23.956 1.439 1.00 0.00 H ATOM 167 N ASP A 12 7.056 22.937 0.437 1.00 18.88 N ATOM 168 CA ASP A 12 8.435 22.395 0.398 1.00 19.96 C ATOM 169 C ASP A 12 8.578 21.006 -0.157 1.00 19.85 C ATOM 170 O ASP A 12 9.720 20.591 -0.441 1.00 20.87 O ATOM 171 CB ASP A 12 8.975 22.296 1.844 1.00 18.78 C ATOM 172 CG ASP A 12 8.977 23.565 2.591 1.00 20.10 C ATOM 173 OD1 ASP A 12 9.185 24.690 2.046 1.00 21.32 O ATOM 174 OD2 ASP A 12 8.799 23.512 3.871 1.00 21.44 O ATOM 175 HA ASP A 12 8.972 23.083 -0.256 1.00 0.00 H ATOM 176 HB2 ASP A 12 8.357 21.582 2.389 1.00 0.00 H ATOM 177 HB3 ASP A 12 10.000 21.927 1.799 1.00 0.00 H ATOM 178 H ASP A 12 6.510 22.875 1.320 1.00 0.00 H ATOM 179 N LEU A 13 7.477 20.287 -0.282 1.00 18.02 N ATOM 180 CA LEU A 13 7.505 18.815 -0.625 1.00 22.18 C ATOM 181 C LEU A 13 8.164 18.508 -1.910 1.00 20.97 C ATOM 182 O LEU A 13 9.014 17.586 -1.985 1.00 19.66 O ATOM 183 CB LEU A 13 6.099 18.184 -0.611 1.00 23.51 C ATOM 184 CG LEU A 13 5.248 18.241 0.731 1.00 26.74 C ATOM 185 CD1 LEU A 13 3.787 17.912 0.466 1.00 28.67 C ATOM 186 CD2 LEU A 13 5.787 17.392 1.862 1.00 28.79 C ATOM 187 HA LEU A 13 8.109 18.371 0.166 1.00 0.00 H ATOM 188 HB2 LEU A 13 5.515 18.685 -1.383 1.00 0.00 H ATOM 189 HB3 LEU A 13 6.217 17.132 -0.872 1.00 0.00 H ATOM 190 HG LEU A 13 5.336 19.272 1.074 1.00 0.00 H ATOM 191 HD21 LEU A 13 5.813 16.348 1.550 1.00 0.00 H ATOM 192 HD22 LEU A 13 6.795 17.722 2.114 1.00 0.00 H ATOM 193 HD23 LEU A 13 5.140 17.496 2.733 1.00 0.00 H ATOM 194 HD11 LEU A 13 3.376 18.634 -0.240 1.00 0.00 H ATOM 195 HD12 LEU A 13 3.712 16.909 0.047 1.00 0.00 H ATOM 196 HD13 LEU A 13 3.230 17.959 1.402 1.00 0.00 H ATOM 197 H LEU A 13 6.557 20.751 -0.139 1.00 0.00 H ATOM 198 N GLU A 14 7.816 19.268 -2.931 1.00 20.20 N ATOM 199 CA GLU A 14 8.396 18.943 -4.228 1.00 22.28 C ATOM 200 C GLU A 14 9.922 19.136 -4.220 1.00 20.83 C ATOM 201 O GLU A 14 10.663 18.308 -4.804 1.00 22.79 O ATOM 202 CB GLU A 14 7.739 19.789 -5.336 1.00 25.84 C ATOM 203 CG GLU A 14 8.202 19.416 -6.728 1.00 33.08 C ATOM 204 CD GLU A 14 7.650 18.080 -7.284 1.00 43.82 C ATOM 205 OE1 GLU A 14 6.454 17.725 -7.115 1.00 52.16 O ATOM 206 OE2 GLU A 14 8.423 17.364 -7.949 1.00 51.34 O ATOM 207 HA GLU A 14 8.199 17.891 -4.434 1.00 0.00 H ATOM 208 HB2 GLU A 14 6.659 19.652 -5.282 1.00 0.00 H ATOM 209 HB3 GLU A 14 7.980 20.837 -5.160 1.00 0.00 H ATOM 210 HG2 GLU A 14 7.898 20.213 -7.407 1.00 0.00 H ATOM 211 HG3 GLU A 14 9.290 19.349 -6.713 1.00 0.00 H ATOM 212 H GLU A 14 7.157 20.064 -2.815 1.00 0.00 H ATOM 213 N THR A 15 10.428 20.170 -3.566 1.00 19.26 N ATOM 214 CA THR A 15 11.864 20.419 -3.439 1.00 19.31 C ATOM 215 C THR A 15 12.539 19.273 -2.714 1.00 19.00 C ATOM 216 O THR A 15 13.499 18.671 -3.203 1.00 19.75 O ATOM 217 CB THR A 15 12.094 21.739 -2.731 1.00 22.10 C ATOM 218 OG1 THR A 15 11.521 22.794 -3.570 1.00 25.59 O ATOM 219 CG2 THR A 15 13.562 21.970 -2.478 1.00 21.80 C ATOM 220 HA THR A 15 12.308 20.483 -4.432 1.00 0.00 H ATOM 221 HB THR A 15 11.611 21.736 -1.754 1.00 0.00 H ATOM 222 HG1 THR A 15 11.656 23.672 -3.133 1.00 0.00 H ATOM 223 HG23 THR A 15 13.952 21.167 -1.852 1.00 0.00 H ATOM 224 HG21 THR A 15 14.095 21.984 -3.428 1.00 0.00 H ATOM 225 HG22 THR A 15 13.696 22.926 -1.971 1.00 0.00 H ATOM 226 H THR A 15 9.770 20.840 -3.119 1.00 0.00 H ATOM 227 N VAL A 16 12.018 18.945 -1.520 1.00 18.28 N ATOM 228 CA VAL A 16 12.630 17.875 -0.703 1.00 17.69 C ATOM 229 C VAL A 16 12.608 16.506 -1.410 1.00 18.99 C ATOM 230 O VAL A 16 13.602 15.709 -1.381 1.00 19.57 O ATOM 231 CB VAL A 16 12.011 17.830 0.663 1.00 17.64 C ATOM 232 CG1 VAL A 16 12.527 16.612 1.443 1.00 17.97 C ATOM 233 CG2 VAL A 16 12.286 19.166 1.395 1.00 17.48 C ATOM 234 HA VAL A 16 13.685 18.119 -0.576 1.00 0.00 H ATOM 235 HB VAL A 16 10.930 17.713 0.581 1.00 0.00 H ATOM 236 HG11 VAL A 16 12.268 15.701 0.904 1.00 0.00 H ATOM 237 HG12 VAL A 16 13.610 16.680 1.545 1.00 0.00 H ATOM 238 HG13 VAL A 16 12.068 16.594 2.432 1.00 0.00 H ATOM 239 HG21 VAL A 16 13.362 19.314 1.487 1.00 0.00 H ATOM 240 HG22 VAL A 16 11.852 19.987 0.825 1.00 0.00 H ATOM 241 HG23 VAL A 16 11.837 19.134 2.388 1.00 0.00 H ATOM 242 H VAL A 16 11.178 19.447 -1.168 1.00 0.00 H ATOM 243 N ALA A 17 11.515 16.198 -2.082 1.00 17.68 N ATOM 244 CA ALA A 17 11.412 14.943 -2.797 1.00 19.61 C ATOM 245 C ALA A 17 12.437 14.794 -3.943 1.00 18.84 C ATOM 246 O ALA A 17 12.682 13.668 -4.363 1.00 20.14 O ATOM 247 CB ALA A 17 10.001 14.739 -3.313 1.00 21.76 C ATOM 248 HA ALA A 17 11.652 14.163 -2.075 1.00 0.00 H ATOM 249 HB1 ALA A 17 9.307 14.726 -2.473 1.00 0.00 H ATOM 250 HB2 ALA A 17 9.741 15.554 -3.988 1.00 0.00 H ATOM 251 HB3 ALA A 17 9.944 13.791 -3.847 1.00 0.00 H ATOM 252 H ALA A 17 10.717 16.865 -2.098 1.00 0.00 H ATOM 253 N GLY A 18 12.932 15.908 -4.395 1.00 20.45 N ATOM 254 CA GLY A 18 14.030 15.961 -5.366 1.00 22.06 C ATOM 255 C GLY A 18 15.394 15.649 -4.847 1.00 22.75 C ATOM 256 O GLY A 18 16.353 15.547 -5.615 1.00 25.06 O ATOM 257 HA3 GLY A 18 14.056 16.968 -5.782 1.00 0.00 H ATOM 258 HA2 GLY A 18 13.806 15.247 -6.159 1.00 0.00 H ATOM 259 H GLY A 18 12.530 16.804 -4.052 1.00 0.00 H ATOM 260 N PHE A 19 15.590 15.563 -3.529 1.00 19.11 N ATOM 261 CA PHE A 19 16.925 15.425 -3.023 1.00 20.44 C ATOM 262 C PHE A 19 17.582 14.056 -3.292 1.00 21.12 C ATOM 263 O PHE A 19 18.741 14.052 -3.648 1.00 23.69 O ATOM 264 CB PHE A 19 16.968 15.724 -1.486 1.00 20.70 C ATOM 265 CG PHE A 19 16.667 17.166 -1.094 1.00 20.79 C ATOM 266 CD1 PHE A 19 16.615 18.187 -2.035 1.00 20.87 C ATOM 267 CD2 PHE A 19 16.516 17.503 0.260 1.00 20.57 C ATOM 268 CE1 PHE A 19 16.381 19.497 -1.647 1.00 20.89 C ATOM 269 CE2 PHE A 19 16.271 18.802 0.652 1.00 22.14 C ATOM 270 CZ PHE A 19 16.245 19.810 -0.276 1.00 21.16 C ATOM 271 HA PHE A 19 17.509 16.159 -3.578 1.00 0.00 H ATOM 272 HB2 PHE A 19 16.235 15.082 -0.997 1.00 0.00 H ATOM 273 HB3 PHE A 19 17.965 15.477 -1.122 1.00 0.00 H ATOM 274 HD2 PHE A 19 16.594 16.722 1.017 1.00 0.00 H ATOM 275 HE2 PHE A 19 16.097 19.028 1.704 1.00 0.00 H ATOM 276 HZ PHE A 19 16.120 20.845 0.041 1.00 0.00 H ATOM 277 HE1 PHE A 19 16.302 20.283 -2.398 1.00 0.00 H ATOM 278 HD1 PHE A 19 16.760 17.955 -3.090 1.00 0.00 H ATOM 279 H PHE A 19 14.782 15.596 -2.875 1.00 0.00 H ATOM 280 N PRO A 20 16.887 12.953 -3.020 1.00 20.47 N ATOM 281 CA PRO A 20 17.610 11.679 -3.268 1.00 20.35 C ATOM 282 C PRO A 20 17.909 11.539 -4.773 1.00 20.96 C ATOM 283 O PRO A 20 16.979 11.576 -5.555 1.00 21.89 O ATOM 284 CB PRO A 20 16.672 10.609 -2.794 1.00 21.37 C ATOM 285 CG PRO A 20 15.711 11.325 -1.863 1.00 22.75 C ATOM 286 CD PRO A 20 15.564 12.714 -2.417 1.00 19.69 C ATOM 287 HA PRO A 20 18.569 11.623 -2.752 1.00 0.00 H ATOM 288 HD3 PRO A 20 14.774 12.759 -3.167 1.00 0.00 H ATOM 289 HD2 PRO A 20 15.354 13.435 -1.626 1.00 0.00 H ATOM 290 HG3 PRO A 20 16.117 11.360 -0.852 1.00 0.00 H ATOM 291 HG2 PRO A 20 14.746 10.817 -1.849 1.00 0.00 H ATOM 292 HB2 PRO A 20 16.136 10.167 -3.634 1.00 0.00 H ATOM 293 HB3 PRO A 20 17.216 9.829 -2.261 1.00 0.00 H ATOM 294 N GLN A 21 19.155 11.222 -5.072 1.00 22.10 N ATOM 295 CA GLN A 21 19.616 11.182 -6.493 1.00 22.93 C ATOM 296 C GLN A 21 19.633 9.828 -7.107 1.00 26.70 C ATOM 297 O GLN A 21 19.775 9.686 -8.342 1.00 26.92 O ATOM 298 CB GLN A 21 20.982 11.809 -6.539 1.00 25.71 C ATOM 299 CG GLN A 21 20.954 13.276 -6.236 1.00 27.99 C ATOM 300 CD GLN A 21 19.968 14.042 -7.139 1.00 34.51 C ATOM 301 OE1 GLN A 21 18.862 14.549 -6.705 1.00 32.68 O ATOM 302 NE2 GLN A 21 20.250 14.014 -8.415 1.00 29.41 N ATOM 303 HA GLN A 21 18.893 11.734 -7.093 1.00 0.00 H ATOM 304 HB2 GLN A 21 21.619 11.313 -5.806 1.00 0.00 H ATOM 305 HB3 GLN A 21 21.398 11.666 -7.536 1.00 0.00 H ATOM 306 HG2 GLN A 21 20.657 13.414 -5.196 1.00 0.00 H ATOM 307 HG3 GLN A 21 21.954 13.684 -6.384 1.00 0.00 H ATOM 308 HE22 GLN A 21 21.147 13.600 -8.740 1.00 0.00 H ATOM 309 HE21 GLN A 21 19.577 14.405 -9.105 1.00 0.00 H ATOM 310 H GLN A 21 19.825 10.997 -4.309 1.00 0.00 H ATOM 311 N ASP A 22 19.466 8.786 -6.316 1.00 23.48 N ATOM 312 CA ASP A 22 19.461 7.414 -6.851 1.00 27.57 C ATOM 313 C ASP A 22 18.859 6.472 -5.818 1.00 29.07 C ATOM 314 O ASP A 22 18.557 6.910 -4.684 1.00 24.44 O ATOM 315 CB ASP A 22 20.897 6.944 -7.327 1.00 28.79 C ATOM 316 CG ASP A 22 21.962 6.960 -6.241 1.00 34.14 C ATOM 317 OD1 ASP A 22 21.676 6.633 -5.090 1.00 31.63 O ATOM 318 OD2 ASP A 22 23.135 7.252 -6.526 1.00 37.29 O ATOM 319 HA ASP A 22 18.840 7.395 -7.746 1.00 0.00 H ATOM 320 HB2 ASP A 22 20.813 5.925 -7.706 1.00 0.00 H ATOM 321 HB3 ASP A 22 21.222 7.604 -8.131 1.00 0.00 H ATOM 322 H ASP A 22 19.335 8.936 -5.295 1.00 0.00 H ATOM 323 N ARG A 23 18.670 5.217 -6.196 1.00 27.46 N ATOM 324 CA ARG A 23 18.004 4.244 -5.316 1.00 27.86 C ATOM 325 C ARG A 23 18.718 4.050 -4.039 1.00 27.68 C ATOM 326 O ARG A 23 18.044 3.818 -3.007 1.00 27.95 O ATOM 327 CB ARG A 23 17.977 2.890 -5.983 1.00 31.54 C ATOM 328 CG ARG A 23 16.948 2.835 -7.021 1.00 32.26 C ATOM 329 CD ARG A 23 17.347 1.751 -8.000 1.00 37.14 C ATOM 330 NE ARG A 23 16.256 1.566 -8.957 1.00 40.87 N ATOM 331 CZ ARG A 23 16.143 2.231 -10.095 1.00 42.76 C ATOM 332 NH1 ARG A 23 17.024 3.167 -10.422 1.00 44.68 N ATOM 333 NH2 ARG A 23 15.113 1.973 -10.881 1.00 45.68 N ATOM 334 HA ARG A 23 17.007 4.642 -5.126 1.00 0.00 H ATOM 335 HB2 ARG A 23 18.950 2.696 -6.435 1.00 0.00 H ATOM 336 HB3 ARG A 23 17.768 2.127 -5.233 1.00 0.00 H ATOM 337 HG2 ARG A 23 15.982 2.598 -6.576 1.00 0.00 H ATOM 338 HG3 ARG A 23 16.884 3.795 -7.534 1.00 0.00 H ATOM 339 HD2 ARG A 23 17.528 0.819 -7.464 1.00 0.00 H ATOM 340 HD3 ARG A 23 18.253 2.047 -8.528 1.00 0.00 H ATOM 341 HE ARG A 23 15.522 0.866 -8.728 1.00 0.00 H ATOM 342 HH12 ARG A 23 16.925 3.683 -11.319 1.00 0.00 H ATOM 343 HH11 ARG A 23 17.814 3.385 -9.781 1.00 0.00 H ATOM 344 HH22 ARG A 23 15.004 2.484 -11.780 1.00 0.00 H ATOM 345 HH21 ARG A 23 14.411 1.259 -10.600 1.00 0.00 H ATOM 346 H ARG A 23 18.999 4.913 -7.134 1.00 0.00 H ATOM 347 N ASP A 24 20.021 4.101 -4.077 1.00 26.17 N ATOM 348 CA ASP A 24 20.860 3.940 -2.857 1.00 30.00 C ATOM 349 C ASP A 24 20.573 5.060 -1.880 1.00 27.84 C ATOM 350 O ASP A 24 20.285 4.833 -0.689 1.00 26.25 O ATOM 351 CB ASP A 24 22.357 3.870 -3.155 1.00 31.02 C ATOM 352 CG ASP A 24 22.745 2.615 -3.965 1.00 36.22 C ATOM 353 OD1 ASP A 24 21.921 1.679 -4.169 1.00 44.39 O ATOM 354 OD2 ASP A 24 23.892 2.668 -4.460 1.00 43.29 O ATOM 355 HA ASP A 24 20.589 2.981 -2.416 1.00 0.00 H ATOM 356 HB2 ASP A 24 22.641 4.755 -3.725 1.00 0.00 H ATOM 357 HB3 ASP A 24 22.901 3.858 -2.210 1.00 0.00 H ATOM 358 H ASP A 24 20.490 4.260 -4.991 1.00 0.00 H ATOM 359 N GLU A 25 20.667 6.294 -2.357 1.00 24.81 N ATOM 360 CA GLU A 25 20.403 7.433 -1.493 1.00 21.98 C ATOM 361 C GLU A 25 19.010 7.349 -0.923 1.00 23.50 C ATOM 362 O GLU A 25 18.823 7.688 0.292 1.00 21.51 O ATOM 363 CB GLU A 25 20.563 8.798 -2.208 1.00 21.97 C ATOM 364 CG GLU A 25 22.012 9.125 -2.568 1.00 24.59 C ATOM 365 CD GLU A 25 22.231 10.520 -3.091 1.00 28.55 C ATOM 366 OE1 GLU A 25 21.258 11.315 -3.155 1.00 24.45 O ATOM 367 OE2 GLU A 25 23.377 10.926 -3.342 1.00 32.01 O ATOM 368 HA GLU A 25 21.150 7.384 -0.701 1.00 0.00 H ATOM 369 HB2 GLU A 25 19.974 8.780 -3.125 1.00 0.00 H ATOM 370 HB3 GLU A 25 20.185 9.580 -1.550 1.00 0.00 H ATOM 371 HG2 GLU A 25 22.621 8.998 -1.673 1.00 0.00 H ATOM 372 HG3 GLU A 25 22.340 8.420 -3.332 1.00 0.00 H ATOM 373 H GLU A 25 20.930 6.447 -3.351 1.00 0.00 H ATOM 374 N LEU A 26 18.008 6.987 -1.713 1.00 21.41 N ATOM 375 CA LEU A 26 16.628 6.895 -1.198 1.00 18.62 C ATOM 376 C LEU A 26 16.524 5.825 -0.095 1.00 19.71 C ATOM 377 O LEU A 26 15.926 6.040 0.973 1.00 20.80 O ATOM 378 CB LEU A 26 15.573 6.694 -2.289 1.00 18.33 C ATOM 379 CG LEU A 26 14.144 6.540 -1.822 1.00 20.34 C ATOM 380 CD1 LEU A 26 13.627 7.828 -1.165 1.00 20.72 C ATOM 381 CD2 LEU A 26 13.178 6.146 -2.943 1.00 22.01 C ATOM 382 HA LEU A 26 16.401 7.866 -0.759 1.00 0.00 H ATOM 383 HB2 LEU A 26 15.614 7.557 -2.953 1.00 0.00 H ATOM 384 HB3 LEU A 26 15.839 5.796 -2.846 1.00 0.00 H ATOM 385 HG LEU A 26 14.170 5.729 -1.094 1.00 0.00 H ATOM 386 HD21 LEU A 26 13.190 6.913 -3.717 1.00 0.00 H ATOM 387 HD22 LEU A 26 13.488 5.192 -3.370 1.00 0.00 H ATOM 388 HD23 LEU A 26 12.171 6.053 -2.537 1.00 0.00 H ATOM 389 HD11 LEU A 26 14.249 8.070 -0.303 1.00 0.00 H ATOM 390 HD12 LEU A 26 13.670 8.644 -1.886 1.00 0.00 H ATOM 391 HD13 LEU A 26 12.597 7.681 -0.841 1.00 0.00 H ATOM 392 H LEU A 26 18.198 6.764 -2.711 1.00 0.00 H ATOM 393 N PHE A 27 17.152 4.675 -0.374 1.00 22.26 N ATOM 394 CA PHE A 27 17.158 3.588 0.617 1.00 21.13 C ATOM 395 C PHE A 27 17.841 4.019 1.900 1.00 19.26 C ATOM 396 O PHE A 27 17.253 3.667 2.981 1.00 21.75 O ATOM 397 CB PHE A 27 17.961 2.383 0.028 1.00 23.16 C ATOM 398 CG PHE A 27 18.021 1.182 0.967 1.00 20.03 C ATOM 399 CD1 PHE A 27 16.878 0.504 1.198 1.00 20.06 C ATOM 400 CD2 PHE A 27 19.163 0.742 1.500 1.00 22.67 C ATOM 401 CE1 PHE A 27 16.818 -0.595 2.076 1.00 20.72 C ATOM 402 CE2 PHE A 27 19.131 -0.361 2.402 1.00 21.06 C ATOM 403 CZ PHE A 27 17.997 -1.016 2.632 1.00 18.92 C ATOM 404 HA PHE A 27 16.125 3.317 0.837 1.00 0.00 H ATOM 405 HB2 PHE A 27 17.486 2.072 -0.902 1.00 0.00 H ATOM 406 HB3 PHE A 27 18.979 2.713 -0.178 1.00 0.00 H ATOM 407 HD2 PHE A 27 20.109 1.221 1.248 1.00 0.00 H ATOM 408 HE2 PHE A 27 20.045 -0.671 2.908 1.00 0.00 H ATOM 409 HZ PHE A 27 18.006 -1.899 3.271 1.00 0.00 H ATOM 410 HE1 PHE A 27 15.874 -1.090 2.304 1.00 0.00 H ATOM 411 HD1 PHE A 27 15.968 0.818 0.687 1.00 0.00 H ATOM 412 H PHE A 27 17.633 4.551 -1.288 1.00 0.00 H ATOM 413 N TYR A 28 18.921 4.763 1.848 1.00 20.90 N ATOM 414 CA TYR A 28 19.655 5.127 3.084 1.00 21.76 C ATOM 415 C TYR A 28 18.826 6.022 3.959 1.00 21.29 C ATOM 416 O TYR A 28 18.986 6.015 5.188 1.00 21.88 O ATOM 417 CB TYR A 28 20.966 5.834 2.822 1.00 26.50 C ATOM 418 CG TYR A 28 21.978 5.045 2.034 1.00 28.93 C ATOM 419 CD1 TYR A 28 21.978 3.653 2.038 1.00 26.09 C ATOM 420 CD2 TYR A 28 22.962 5.751 1.330 1.00 34.30 C ATOM 421 CE1 TYR A 28 22.925 2.938 1.286 1.00 34.83 C ATOM 422 CE2 TYR A 28 23.891 5.067 0.582 1.00 37.07 C ATOM 423 CZ TYR A 28 23.858 3.695 0.554 1.00 37.27 C ATOM 424 OH TYR A 28 24.861 3.132 -0.213 1.00 42.74 O ATOM 425 HA TYR A 28 19.864 4.177 3.576 1.00 0.00 H ATOM 426 HB3 TYR A 28 21.411 6.086 3.785 1.00 0.00 H ATOM 427 HB2 TYR A 28 20.751 6.750 2.272 1.00 0.00 H ATOM 428 HD2 TYR A 28 22.991 6.840 1.375 1.00 0.00 H ATOM 429 HE2 TYR A 28 24.648 5.610 0.016 1.00 0.00 H ATOM 430 HE1 TYR A 28 22.936 1.848 1.270 1.00 0.00 H ATOM 431 HD1 TYR A 28 21.238 3.114 2.629 1.00 0.00 H ATOM 432 HH TYR A 28 24.779 2.146 -0.190 1.00 0.00 H ATOM 433 H TYR A 28 19.267 5.102 0.928 1.00 0.00 H ATOM 434 N CYS A 29 17.989 6.871 3.359 1.00 19.79 N ATOM 435 CA CYS A 29 17.206 7.886 4.113 1.00 19.12 C ATOM 436 C CYS A 29 15.779 7.531 4.367 1.00 19.16 C ATOM 437 O CYS A 29 15.101 8.160 5.206 1.00 18.06 O ATOM 438 CB CYS A 29 17.357 9.270 3.568 1.00 18.61 C ATOM 439 SG CYS A 29 16.452 9.528 2.004 1.00 22.66 S ATOM 440 HA CYS A 29 17.669 7.879 5.100 1.00 0.00 H ATOM 441 HB2 CYS A 29 18.416 9.460 3.392 1.00 0.00 H ATOM 442 HB3 CYS A 29 16.981 9.977 4.307 1.00 0.00 H ATOM 443 HG CYS A 29 16.925 8.649 1.051 1.00 0.00 H ATOM 444 H CYS A 29 17.880 6.821 2.326 1.00 0.00 H ATOM 445 N TYR A 30 15.238 6.546 3.639 1.00 17.72 N ATOM 446 CA TYR A 30 13.882 6.156 3.725 1.00 17.39 C ATOM 447 C TYR A 30 13.684 4.760 3.150 1.00 20.17 C ATOM 448 O TYR A 30 13.213 4.592 2.029 1.00 18.92 O ATOM 449 CB TYR A 30 12.988 7.238 3.018 1.00 18.54 C ATOM 450 CG TYR A 30 11.502 7.136 3.224 1.00 19.23 C ATOM 451 CD1 TYR A 30 10.905 6.123 3.945 1.00 23.37 C ATOM 452 CD2 TYR A 30 10.686 8.150 2.642 1.00 20.89 C ATOM 453 CE1 TYR A 30 9.502 6.125 4.058 1.00 25.56 C ATOM 454 CE2 TYR A 30 9.342 8.135 2.742 1.00 25.44 C ATOM 455 CZ TYR A 30 8.770 7.133 3.401 1.00 26.24 C ATOM 456 OH TYR A 30 7.409 7.175 3.438 1.00 35.28 O ATOM 457 HA TYR A 30 13.576 6.100 4.770 1.00 0.00 H ATOM 458 HB3 TYR A 30 13.177 7.172 1.947 1.00 0.00 H ATOM 459 HB2 TYR A 30 13.304 8.215 3.382 1.00 0.00 H ATOM 460 HD2 TYR A 30 11.165 8.964 2.098 1.00 0.00 H ATOM 461 HE2 TYR A 30 8.739 8.925 2.294 1.00 0.00 H ATOM 462 HE1 TYR A 30 8.991 5.360 4.643 1.00 0.00 H ATOM 463 HD1 TYR A 30 11.503 5.342 4.414 1.00 0.00 H ATOM 464 HH TYR A 30 7.070 6.396 3.946 1.00 0.00 H ATOM 465 H TYR A 30 15.852 6.038 2.971 1.00 0.00 H ATOM 466 N PRO A 31 14.127 3.742 3.864 1.00 19.28 N ATOM 467 CA PRO A 31 14.122 2.404 3.267 1.00 20.56 C ATOM 468 C PRO A 31 12.750 1.819 2.892 1.00 21.35 C ATOM 469 O PRO A 31 12.681 0.967 1.979 1.00 24.25 O ATOM 470 CB PRO A 31 14.894 1.543 4.318 1.00 21.82 C ATOM 471 CG PRO A 31 14.865 2.346 5.566 1.00 20.72 C ATOM 472 CD PRO A 31 14.850 3.787 5.154 1.00 19.71 C ATOM 473 HA PRO A 31 14.587 2.425 2.281 1.00 0.00 H ATOM 474 HD3 PRO A 31 14.319 4.400 5.882 1.00 0.00 H ATOM 475 HD2 PRO A 31 15.862 4.171 5.026 1.00 0.00 H ATOM 476 HG3 PRO A 31 15.749 2.137 6.168 1.00 0.00 H ATOM 477 HG2 PRO A 31 13.971 2.111 6.143 1.00 0.00 H ATOM 478 HB2 PRO A 31 14.398 0.584 4.467 1.00 0.00 H ATOM 479 HB3 PRO A 31 15.921 1.373 3.995 1.00 0.00 H ATOM 480 N LYS A 32 11.688 2.300 3.481 1.00 20.96 N ATOM 481 CA LYS A 32 10.328 1.829 3.186 1.00 21.71 C ATOM 482 C LYS A 32 9.888 2.392 1.832 1.00 22.96 C ATOM 483 O LYS A 32 8.992 1.817 1.213 1.00 26.05 O ATOM 484 CB LYS A 32 9.320 2.179 4.282 1.00 27.68 C ATOM 485 CG LYS A 32 8.032 1.343 4.262 1.00 36.91 C ATOM 486 CD LYS A 32 6.958 1.789 5.261 1.00 42.87 C ATOM 487 HA LYS A 32 10.353 0.740 3.147 1.00 0.00 H ATOM 488 HB2 LYS A 32 9.804 2.034 5.248 1.00 0.00 H ATOM 489 HB3 LYS A 32 9.046 3.228 4.169 1.00 0.00 H ATOM 490 HG2 LYS A 32 7.607 1.399 3.260 1.00 0.00 H ATOM 491 HG3 LYS A 32 8.295 0.309 4.486 1.00 0.00 H ATOM 492 HD2 LYS A 32 7.357 1.727 6.273 1.00 0.00 H ATOM 493 HD3 LYS A 32 6.668 2.818 5.046 1.00 0.00 H ATOM 494 H LYS A 32 11.811 3.050 4.191 1.00 0.00 H ATOM 495 N ALA A 33 10.458 3.508 1.418 1.00 20.52 N ATOM 496 CA ALA A 33 10.083 4.095 0.100 1.00 21.96 C ATOM 497 C ALA A 33 10.467 3.229 -1.081 1.00 23.79 C ATOM 498 O ALA A 33 11.357 2.376 -1.044 1.00 22.88 O ATOM 499 CB ALA A 33 10.694 5.467 -0.038 1.00 21.71 C ATOM 500 HA ALA A 33 8.995 4.162 0.085 1.00 0.00 H ATOM 501 HB1 ALA A 33 10.326 6.109 0.762 1.00 0.00 H ATOM 502 HB2 ALA A 33 11.779 5.388 0.028 1.00 0.00 H ATOM 503 HB3 ALA A 33 10.417 5.891 -1.003 1.00 0.00 H ATOM 504 H ALA A 33 11.170 3.979 2.012 1.00 0.00 H ATOM 505 N ILE A 34 9.766 3.511 -2.181 1.00 24.27 N ATOM 506 CA ILE A 34 10.029 2.855 -3.463 1.00 27.56 C ATOM 507 C ILE A 34 10.447 3.895 -4.477 1.00 25.60 C ATOM 508 O ILE A 34 9.905 5.015 -4.479 1.00 28.57 O ATOM 509 CB ILE A 34 8.764 2.154 -3.944 1.00 29.74 C ATOM 510 CG1 ILE A 34 8.254 1.131 -2.904 1.00 36.43 C ATOM 511 CG2 ILE A 34 9.018 1.406 -5.250 1.00 36.92 C ATOM 512 CD1 ILE A 34 6.817 0.718 -3.172 1.00 42.94 C ATOM 513 HA ILE A 34 10.825 2.120 -3.343 1.00 0.00 H ATOM 514 HB ILE A 34 8.015 2.932 -4.093 1.00 0.00 H ATOM 515 HG12 ILE A 34 8.888 0.245 -2.941 1.00 0.00 H ATOM 516 HG13 ILE A 34 8.313 1.578 -1.912 1.00 0.00 H ATOM 517 HD11 ILE A 34 6.174 1.597 -3.130 1.00 0.00 H ATOM 518 HD12 ILE A 34 6.749 0.263 -4.160 1.00 0.00 H ATOM 519 HD13 ILE A 34 6.500 -0.002 -2.417 1.00 0.00 H ATOM 520 HG21 ILE A 34 9.340 2.112 -6.015 1.00 0.00 H ATOM 521 HG22 ILE A 34 9.796 0.658 -5.094 1.00 0.00 H ATOM 522 HG23 ILE A 34 8.099 0.915 -5.571 1.00 0.00 H ATOM 523 H ILE A 34 9.008 4.220 -2.126 1.00 0.00 H ATOM 524 N TRP A 35 11.502 3.578 -5.212 1.00 26.28 N ATOM 525 CA TRP A 35 12.005 4.436 -6.293 1.00 24.66 C ATOM 526 C TRP A 35 11.082 4.300 -7.512 1.00 28.93 C ATOM 527 O TRP A 35 10.742 3.178 -7.867 1.00 28.18 O ATOM 528 CB TRP A 35 13.420 4.008 -6.660 1.00 27.92 C ATOM 529 CG TRP A 35 14.057 4.908 -7.626 1.00 26.54 C ATOM 530 CD1 TRP A 35 13.999 4.812 -9.030 1.00 28.57 C ATOM 531 CD2 TRP A 35 14.827 6.091 -7.355 1.00 23.55 C ATOM 532 NE1 TRP A 35 14.677 5.842 -9.583 1.00 28.28 N ATOM 533 CE2 TRP A 35 15.185 6.660 -8.604 1.00 27.01 C ATOM 534 CE3 TRP A 35 15.211 6.759 -6.199 1.00 24.52 C ATOM 535 CZ2 TRP A 35 15.925 7.821 -8.711 1.00 24.82 C ATOM 536 CZ3 TRP A 35 15.943 7.924 -6.300 1.00 25.03 C ATOM 537 CH2 TRP A 35 16.304 8.466 -7.581 1.00 27.06 C ATOM 538 HA TRP A 35 12.021 5.476 -5.967 1.00 0.00 H ATOM 539 HB2 TRP A 35 14.024 3.988 -5.753 1.00 0.00 H ATOM 540 HB3 TRP A 35 13.380 3.007 -7.091 1.00 0.00 H ATOM 541 HE1 TRP A 35 14.797 5.994 -10.605 1.00 0.00 H ATOM 542 HD1 TRP A 35 13.486 4.027 -9.586 1.00 0.00 H ATOM 543 HZ2 TRP A 35 16.200 8.213 -9.690 1.00 0.00 H ATOM 544 HH2 TRP A 35 16.879 9.390 -7.643 1.00 0.00 H ATOM 545 HZ3 TRP A 35 16.253 8.442 -5.393 1.00 0.00 H ATOM 546 HE3 TRP A 35 14.936 6.366 -5.220 1.00 0.00 H ATOM 547 H TRP A 35 11.995 2.684 -5.016 1.00 0.00 H ATOM 548 N PRO A 36 10.694 5.433 -8.133 1.00 25.36 N ATOM 549 CA PRO A 36 11.140 6.795 -7.828 1.00 23.77 C ATOM 550 C PRO A 36 10.343 7.404 -6.665 1.00 20.31 C ATOM 551 O PRO A 36 9.155 7.103 -6.479 1.00 23.66 O ATOM 552 CB PRO A 36 10.917 7.539 -9.153 1.00 28.49 C ATOM 553 CG PRO A 36 9.762 6.870 -9.721 1.00 27.05 C ATOM 554 CD PRO A 36 9.975 5.408 -9.438 1.00 27.90 C ATOM 555 HA PRO A 36 12.176 6.847 -7.493 1.00 0.00 H ATOM 556 HD3 PRO A 36 9.025 4.880 -9.355 1.00 0.00 H ATOM 557 HD2 PRO A 36 10.582 4.941 -10.214 1.00 0.00 H ATOM 558 HG3 PRO A 36 9.707 7.048 -10.795 1.00 0.00 H ATOM 559 HG2 PRO A 36 8.845 7.222 -9.248 1.00 0.00 H ATOM 560 HB2 PRO A 36 10.710 8.595 -8.978 1.00 0.00 H ATOM 561 HB3 PRO A 36 11.785 7.443 -9.806 1.00 0.00 H ATOM 562 N PHE A 37 11.059 8.284 -6.016 1.00 22.35 N ATOM 563 CA PHE A 37 10.478 9.006 -4.883 1.00 22.88 C ATOM 564 C PHE A 37 9.430 10.007 -5.425 1.00 27.62 C ATOM 565 O PHE A 37 9.380 10.359 -6.621 1.00 26.64 O ATOM 566 CB PHE A 37 11.536 9.722 -4.086 1.00 19.73 C ATOM 567 CG PHE A 37 11.120 10.110 -2.673 1.00 20.68 C ATOM 568 CD1 PHE A 37 10.367 9.202 -1.899 1.00 23.23 C ATOM 569 CD2 PHE A 37 11.606 11.275 -2.112 1.00 20.41 C ATOM 570 CE1 PHE A 37 10.027 9.540 -0.562 1.00 23.29 C ATOM 571 CE2 PHE A 37 11.282 11.601 -0.737 1.00 20.73 C ATOM 572 CZ PHE A 37 10.498 10.730 -0.031 1.00 22.52 C ATOM 573 HA PHE A 37 10.000 8.294 -4.210 1.00 0.00 H ATOM 574 HB2 PHE A 37 12.407 9.070 -4.016 1.00 0.00 H ATOM 575 HB3 PHE A 37 11.806 10.632 -4.622 1.00 0.00 H ATOM 576 HD2 PHE A 37 12.231 11.947 -2.701 1.00 0.00 H ATOM 577 HE2 PHE A 37 11.654 12.517 -0.277 1.00 0.00 H ATOM 578 HZ PHE A 37 10.232 10.984 0.995 1.00 0.00 H ATOM 579 HE1 PHE A 37 9.406 8.874 0.037 1.00 0.00 H ATOM 580 HD1 PHE A 37 10.049 8.250 -2.323 1.00 0.00 H ATOM 581 H PHE A 37 12.041 8.471 -6.304 1.00 0.00 H ATOM 582 N SER A 38 8.536 10.419 -4.554 1.00 22.64 N ATOM 583 CA SER A 38 7.406 11.276 -4.912 1.00 23.80 C ATOM 584 C SER A 38 6.943 12.094 -3.752 1.00 23.73 C ATOM 585 O SER A 38 7.150 11.718 -2.581 1.00 21.12 O ATOM 586 CB SER A 38 6.250 10.457 -5.403 1.00 23.71 C ATOM 587 OG SER A 38 5.716 9.646 -4.389 1.00 27.63 O ATOM 588 HA SER A 38 7.757 11.940 -5.702 1.00 0.00 H ATOM 589 HB2 SER A 38 6.590 9.822 -6.221 1.00 0.00 H ATOM 590 HB3 SER A 38 5.471 11.128 -5.765 1.00 0.00 H ATOM 591 HG SER A 38 4.958 9.123 -4.751 1.00 0.00 H ATOM 592 H SER A 38 8.637 10.121 -3.563 1.00 0.00 H ATOM 593 N VAL A 39 6.220 13.174 -4.039 1.00 22.58 N ATOM 594 CA VAL A 39 5.631 13.972 -2.993 1.00 22.75 C ATOM 595 C VAL A 39 4.677 13.149 -2.154 1.00 23.89 C ATOM 596 O VAL A 39 4.629 13.269 -0.929 1.00 23.58 O ATOM 597 CB VAL A 39 4.959 15.242 -3.581 1.00 26.67 C ATOM 598 CG1 VAL A 39 4.099 15.935 -2.549 1.00 29.15 C ATOM 599 CG2 VAL A 39 6.036 16.146 -4.215 1.00 24.80 C ATOM 600 HA VAL A 39 6.424 14.310 -2.326 1.00 0.00 H ATOM 601 HB VAL A 39 4.270 14.964 -4.378 1.00 0.00 H ATOM 602 HG11 VAL A 39 3.318 15.253 -2.211 1.00 0.00 H ATOM 603 HG12 VAL A 39 4.717 16.230 -1.701 1.00 0.00 H ATOM 604 HG13 VAL A 39 3.643 16.820 -2.993 1.00 0.00 H ATOM 605 HG21 VAL A 39 6.759 16.436 -3.453 1.00 0.00 H ATOM 606 HG22 VAL A 39 6.544 15.601 -5.011 1.00 0.00 H ATOM 607 HG23 VAL A 39 5.563 17.037 -4.628 1.00 0.00 H ATOM 608 H VAL A 39 6.078 13.446 -5.033 1.00 0.00 H ATOM 609 N ALA A 40 3.899 12.302 -2.787 1.00 24.11 N ATOM 610 CA ALA A 40 2.914 11.513 -2.044 1.00 25.01 C ATOM 611 C ALA A 40 3.658 10.601 -1.027 1.00 24.25 C ATOM 612 O ALA A 40 3.188 10.473 0.094 1.00 25.01 O ATOM 613 CB ALA A 40 2.044 10.683 -2.997 1.00 29.16 C ATOM 614 HA ALA A 40 2.248 12.185 -1.502 1.00 0.00 H ATOM 615 HB1 ALA A 40 1.517 11.350 -3.679 1.00 0.00 H ATOM 616 HB2 ALA A 40 2.678 10.005 -3.568 1.00 0.00 H ATOM 617 HB3 ALA A 40 1.322 10.107 -2.419 1.00 0.00 H ATOM 618 H ALA A 40 3.982 12.191 -3.818 1.00 0.00 H ATOM 619 N GLN A 41 4.780 10.005 -1.400 1.00 21.50 N ATOM 620 CA GLN A 41 5.542 9.148 -0.427 1.00 22.20 C ATOM 621 C GLN A 41 6.066 10.009 0.721 1.00 22.52 C ATOM 622 O GLN A 41 6.093 9.573 1.918 1.00 22.34 O ATOM 623 CB GLN A 41 6.640 8.390 -1.095 1.00 23.44 C ATOM 624 CG GLN A 41 6.133 7.266 -1.999 1.00 23.52 C ATOM 625 CD GLN A 41 7.247 6.439 -2.506 1.00 25.91 C ATOM 626 OE1 GLN A 41 7.726 5.544 -1.835 1.00 25.77 O ATOM 627 NE2 GLN A 41 7.715 6.740 -3.721 1.00 27.32 N ATOM 628 HA GLN A 41 4.860 8.403 -0.018 1.00 0.00 H ATOM 629 HB2 GLN A 41 7.223 9.085 -1.700 1.00 0.00 H ATOM 630 HB3 GLN A 41 7.279 7.955 -0.326 1.00 0.00 H ATOM 631 HG2 GLN A 41 5.451 6.633 -1.431 1.00 0.00 H ATOM 632 HG3 GLN A 41 5.602 7.703 -2.845 1.00 0.00 H ATOM 633 HE22 GLN A 41 7.283 7.511 -4.268 1.00 0.00 H ATOM 634 HE21 GLN A 41 8.512 6.203 -4.119 1.00 0.00 H ATOM 635 H GLN A 41 5.136 10.130 -2.369 1.00 0.00 H ATOM 636 N LEU A 42 6.549 11.192 0.385 1.00 20.93 N ATOM 637 CA LEU A 42 7.123 12.063 1.411 1.00 19.98 C ATOM 638 C LEU A 42 6.022 12.524 2.364 1.00 20.00 C ATOM 639 O LEU A 42 6.187 12.548 3.614 1.00 20.68 O ATOM 640 CB LEU A 42 7.865 13.245 0.776 1.00 18.95 C ATOM 641 CG LEU A 42 8.464 14.285 1.703 1.00 18.89 C ATOM 642 CD1 LEU A 42 9.457 13.692 2.674 1.00 20.78 C ATOM 643 CD2 LEU A 42 9.154 15.418 0.985 1.00 20.21 C ATOM 644 HA LEU A 42 7.860 11.504 1.987 1.00 0.00 H ATOM 645 HB2 LEU A 42 8.679 12.835 0.178 1.00 0.00 H ATOM 646 HB3 LEU A 42 7.160 13.759 0.123 1.00 0.00 H ATOM 647 HG LEU A 42 7.599 14.678 2.237 1.00 0.00 H ATOM 648 HD21 LEU A 42 9.967 15.020 0.377 1.00 0.00 H ATOM 649 HD22 LEU A 42 8.437 15.931 0.344 1.00 0.00 H ATOM 650 HD23 LEU A 42 9.556 16.119 1.717 1.00 0.00 H ATOM 651 HD11 LEU A 42 8.959 12.942 3.288 1.00 0.00 H ATOM 652 HD12 LEU A 42 10.272 13.227 2.120 1.00 0.00 H ATOM 653 HD13 LEU A 42 9.854 14.481 3.313 1.00 0.00 H ATOM 654 H LEU A 42 6.521 11.503 -0.607 1.00 0.00 H ATOM 655 N ALA A 43 4.903 12.963 1.807 1.00 20.96 N ATOM 656 CA ALA A 43 3.816 13.394 2.680 1.00 21.73 C ATOM 657 C ALA A 43 3.295 12.286 3.564 1.00 22.55 C ATOM 658 O ALA A 43 2.945 12.584 4.735 1.00 22.62 O ATOM 659 CB ALA A 43 2.653 13.948 1.808 1.00 23.52 C ATOM 660 HA ALA A 43 4.215 14.166 3.338 1.00 0.00 H ATOM 661 HB1 ALA A 43 3.011 14.794 1.222 1.00 0.00 H ATOM 662 HB2 ALA A 43 2.298 13.165 1.138 1.00 0.00 H ATOM 663 HB3 ALA A 43 1.838 14.272 2.455 1.00 0.00 H ATOM 664 H ALA A 43 4.802 13.000 0.773 1.00 0.00 H ATOM 665 N ALA A 44 3.291 11.040 3.103 1.00 22.46 N ATOM 666 CA ALA A 44 2.855 9.876 3.912 1.00 24.26 C ATOM 667 C ALA A 44 3.777 9.769 5.105 1.00 26.00 C ATOM 668 O ALA A 44 3.326 9.504 6.251 1.00 26.40 O ATOM 669 CB ALA A 44 2.873 8.605 3.110 1.00 27.81 C ATOM 670 HA ALA A 44 1.825 10.024 4.238 1.00 0.00 H ATOM 671 HB1 ALA A 44 2.199 8.704 2.259 1.00 0.00 H ATOM 672 HB2 ALA A 44 3.886 8.416 2.753 1.00 0.00 H ATOM 673 HB3 ALA A 44 2.547 7.776 3.738 1.00 0.00 H ATOM 674 H ALA A 44 3.609 10.873 2.127 1.00 0.00 H ATOM 675 N ALA A 45 5.082 9.869 4.845 1.00 22.24 N ATOM 676 CA ALA A 45 6.073 9.795 5.949 1.00 20.98 C ATOM 677 C ALA A 45 5.824 10.905 6.958 1.00 22.36 C ATOM 678 O ALA A 45 5.779 10.696 8.183 1.00 22.88 O ATOM 679 CB ALA A 45 7.486 9.865 5.409 1.00 22.84 C ATOM 680 HA ALA A 45 5.954 8.837 6.455 1.00 0.00 H ATOM 681 HB1 ALA A 45 7.655 9.031 4.728 1.00 0.00 H ATOM 682 HB2 ALA A 45 7.623 10.805 4.875 1.00 0.00 H ATOM 683 HB3 ALA A 45 8.193 9.809 6.237 1.00 0.00 H ATOM 684 H ALA A 45 5.407 9.999 3.866 1.00 0.00 H ATOM 685 N ILE A 46 5.708 12.135 6.499 1.00 22.02 N ATOM 686 CA ILE A 46 5.460 13.264 7.361 1.00 21.21 C ATOM 687 C ILE A 46 4.187 13.064 8.253 1.00 23.11 C ATOM 688 O ILE A 46 4.225 13.306 9.487 1.00 23.18 O ATOM 689 CB ILE A 46 5.372 14.547 6.556 1.00 23.32 C ATOM 690 CG1 ILE A 46 6.726 14.941 5.974 1.00 22.06 C ATOM 691 CG2 ILE A 46 4.841 15.675 7.406 1.00 24.36 C ATOM 692 CD1 ILE A 46 6.698 16.103 4.999 1.00 24.05 C ATOM 693 HA ILE A 46 6.309 13.343 8.041 1.00 0.00 H ATOM 694 HB ILE A 46 4.684 14.361 5.731 1.00 0.00 H ATOM 695 HG12 ILE A 46 7.383 15.210 6.801 1.00 0.00 H ATOM 696 HG13 ILE A 46 7.135 14.074 5.454 1.00 0.00 H ATOM 697 HD11 ILE A 46 6.058 15.851 4.153 1.00 0.00 H ATOM 698 HD12 ILE A 46 6.307 16.988 5.501 1.00 0.00 H ATOM 699 HD13 ILE A 46 7.709 16.302 4.644 1.00 0.00 H ATOM 700 HG21 ILE A 46 3.846 15.417 7.769 1.00 0.00 H ATOM 701 HG22 ILE A 46 5.508 15.835 8.253 1.00 0.00 H ATOM 702 HG23 ILE A 46 4.787 16.585 6.808 1.00 0.00 H ATOM 703 H ILE A 46 5.799 12.298 5.476 1.00 0.00 H ATOM 704 N ALA A 47 3.152 12.508 7.653 1.00 23.46 N ATOM 705 CA ALA A 47 1.871 12.296 8.404 1.00 24.23 C ATOM 706 C ALA A 47 2.050 11.295 9.516 1.00 25.07 C ATOM 707 O ALA A 47 1.384 11.445 10.572 1.00 30.18 O ATOM 708 CB ALA A 47 0.745 11.815 7.472 1.00 26.61 C ATOM 709 HA ALA A 47 1.593 13.260 8.829 1.00 0.00 H ATOM 710 HB1 ALA A 47 0.572 12.562 6.697 1.00 0.00 H ATOM 711 HB2 ALA A 47 1.036 10.871 7.010 1.00 0.00 H ATOM 712 HB3 ALA A 47 -0.168 11.672 8.051 1.00 0.00 H ATOM 713 H ALA A 47 3.224 12.216 6.657 1.00 0.00 H ATOM 714 N GLU A 48 2.874 10.280 9.360 1.00 23.80 N ATOM 715 CA GLU A 48 3.026 9.272 10.408 1.00 27.69 C ATOM 716 C GLU A 48 4.201 9.491 11.327 1.00 27.54 C ATOM 717 O GLU A 48 4.481 8.632 12.183 1.00 30.06 O ATOM 718 CB GLU A 48 3.012 7.869 9.844 1.00 34.95 C ATOM 719 CG GLU A 48 4.233 7.492 9.081 1.00 38.16 C ATOM 720 CD GLU A 48 4.038 6.215 8.244 1.00 50.38 C ATOM 721 OE1 GLU A 48 2.894 5.682 8.140 1.00 54.29 O ATOM 722 OE2 GLU A 48 5.037 5.736 7.673 1.00 45.90 O ATOM 723 HA GLU A 48 2.147 9.395 11.041 1.00 0.00 H ATOM 724 HB2 GLU A 48 2.901 7.171 10.673 1.00 0.00 H ATOM 725 HB3 GLU A 48 2.154 7.779 9.178 1.00 0.00 H ATOM 726 HG2 GLU A 48 4.494 8.312 8.412 1.00 0.00 H ATOM 727 HG3 GLU A 48 5.048 7.327 9.786 1.00 0.00 H ATOM 728 H GLU A 48 3.423 10.194 8.481 1.00 0.00 H ATOM 729 N ARG A 49 4.911 10.612 11.159 1.00 22.31 N ATOM 730 CA ARG A 49 6.100 10.904 11.961 1.00 21.56 C ATOM 731 C ARG A 49 5.882 12.192 12.716 1.00 21.64 C ATOM 732 O ARG A 49 4.765 12.755 12.738 1.00 22.27 O ATOM 733 CB ARG A 49 7.305 11.016 11.011 1.00 20.18 C ATOM 734 CG ARG A 49 7.651 9.670 10.464 1.00 20.67 C ATOM 735 CD ARG A 49 8.885 9.742 9.571 1.00 19.66 C ATOM 736 NE ARG A 49 9.195 8.455 8.921 1.00 22.39 N ATOM 737 CZ ARG A 49 10.398 8.074 8.549 1.00 18.88 C ATOM 738 NH1 ARG A 49 10.564 6.887 7.992 1.00 20.61 N ATOM 739 NH2 ARG A 49 11.456 8.752 8.875 1.00 17.18 N ATOM 740 HA ARG A 49 6.289 10.112 12.686 1.00 0.00 H ATOM 741 HB2 ARG A 49 7.056 11.687 10.189 1.00 0.00 H ATOM 742 HB3 ARG A 49 8.160 11.415 11.557 1.00 0.00 H ATOM 743 HG2 ARG A 49 7.849 8.989 11.292 1.00 0.00 H ATOM 744 HG3 ARG A 49 6.810 9.295 9.880 1.00 0.00 H ATOM 745 HD2 ARG A 49 9.739 10.040 10.179 1.00 0.00 H ATOM 746 HD3 ARG A 49 8.713 10.491 8.798 1.00 0.00 H ATOM 747 HE ARG A 49 8.406 7.801 8.744 1.00 0.00 H ATOM 748 HH12 ARG A 49 11.512 6.580 7.696 1.00 0.00 H ATOM 749 HH11 ARG A 49 9.746 6.260 7.850 1.00 0.00 H ATOM 750 HH22 ARG A 49 12.396 8.429 8.568 1.00 0.00 H ATOM 751 HH21 ARG A 49 11.364 9.618 9.443 1.00 0.00 H ATOM 752 H ARG A 49 4.609 11.297 10.437 1.00 0.00 H ATOM 753 N ARG A 50 6.917 12.658 13.382 1.00 19.73 N ATOM 754 CA ARG A 50 6.912 13.904 14.106 1.00 20.75 C ATOM 755 C ARG A 50 8.117 14.761 13.807 1.00 19.05 C ATOM 756 O ARG A 50 9.169 14.238 13.401 1.00 20.37 O ATOM 757 CB ARG A 50 6.826 13.640 15.663 1.00 22.66 C ATOM 758 CG ARG A 50 5.644 12.789 16.090 1.00 27.08 C ATOM 759 CD ARG A 50 4.346 13.582 16.103 1.00 30.07 C ATOM 760 NE ARG A 50 3.198 12.769 16.597 1.00 33.30 N ATOM 761 CZ ARG A 50 2.427 11.964 15.854 1.00 36.90 C ATOM 762 NH1 ARG A 50 2.617 11.779 14.539 1.00 35.99 N ATOM 763 NH2 ARG A 50 1.443 11.309 16.445 1.00 40.74 N ATOM 764 HA ARG A 50 6.030 14.450 13.771 1.00 0.00 H ATOM 765 HB2 ARG A 50 7.740 13.135 15.975 1.00 0.00 H ATOM 766 HB3 ARG A 50 6.754 14.603 16.169 1.00 0.00 H ATOM 767 HG2 ARG A 50 5.541 11.956 15.395 1.00 0.00 H ATOM 768 HG3 ARG A 50 5.831 12.404 17.092 1.00 0.00 H ATOM 769 HD2 ARG A 50 4.129 13.918 15.089 1.00 0.00 H ATOM 770 HD3 ARG A 50 4.469 14.448 16.753 1.00 0.00 H ATOM 771 HE ARG A 50 2.975 12.833 17.611 1.00 0.00 H ATOM 772 HH12 ARG A 50 1.989 11.142 14.007 1.00 0.00 H ATOM 773 HH11 ARG A 50 3.392 12.272 14.051 1.00 0.00 H ATOM 774 HH22 ARG A 50 0.831 10.678 15.889 1.00 0.00 H ATOM 775 HH21 ARG A 50 1.281 11.424 17.466 1.00 0.00 H ATOM 776 H ARG A 50 7.790 12.093 13.386 1.00 0.00 H ATOM 777 N GLY A 51 8.022 16.069 13.973 1.00 19.23 N ATOM 778 CA GLY A 51 9.159 16.898 13.944 1.00 18.94 C ATOM 779 C GLY A 51 9.753 17.204 12.544 1.00 16.24 C ATOM 780 O GLY A 51 10.920 17.554 12.507 1.00 18.50 O ATOM 781 HA3 GLY A 51 9.937 16.416 14.537 1.00 0.00 H ATOM 782 HA2 GLY A 51 8.889 17.848 14.405 1.00 0.00 H ATOM 783 H GLY A 51 7.086 16.495 14.129 1.00 0.00 H ATOM 784 N SER A 52 8.942 17.049 11.509 1.00 18.25 N ATOM 785 CA SER A 52 9.509 17.298 10.150 1.00 17.23 C ATOM 786 C SER A 52 9.907 18.778 10.007 1.00 18.10 C ATOM 787 O SER A 52 9.079 19.703 10.174 1.00 19.21 O ATOM 788 CB SER A 52 8.499 16.873 9.106 1.00 16.75 C ATOM 789 OG SER A 52 8.341 15.470 9.044 1.00 18.81 O ATOM 790 HA SER A 52 10.414 16.708 10.004 1.00 0.00 H ATOM 791 HB2 SER A 52 8.832 17.231 8.132 1.00 0.00 H ATOM 792 HB3 SER A 52 7.536 17.323 9.348 1.00 0.00 H ATOM 793 HG SER A 52 8.031 15.135 9.922 1.00 0.00 H ATOM 794 H SER A 52 7.950 16.765 11.637 1.00 0.00 H ATOM 795 N THR A 53 11.183 18.994 9.699 1.00 17.62 N ATOM 796 CA THR A 53 11.870 20.222 9.736 1.00 16.34 C ATOM 797 C THR A 53 12.728 20.441 8.491 1.00 18.93 C ATOM 798 O THR A 53 13.373 19.529 8.011 1.00 19.07 O ATOM 799 CB THR A 53 12.790 20.297 10.998 1.00 18.33 C ATOM 800 OG1 THR A 53 11.950 20.054 12.177 1.00 20.14 O ATOM 801 CG2 THR A 53 13.529 21.574 11.147 1.00 20.21 C ATOM 802 HA THR A 53 11.111 21.003 9.775 1.00 0.00 H ATOM 803 HB THR A 53 13.565 19.539 10.885 1.00 0.00 H ATOM 804 HG1 THR A 53 11.534 19.158 12.106 1.00 0.00 H ATOM 805 HG23 THR A 53 14.147 21.740 10.265 1.00 0.00 H ATOM 806 HG21 THR A 53 12.818 22.393 11.253 1.00 0.00 H ATOM 807 HG22 THR A 53 14.163 21.524 12.032 1.00 0.00 H ATOM 808 H THR A 53 11.733 18.165 9.398 1.00 0.00 H ATOM 809 N VAL A 54 12.746 21.696 7.979 1.00 18.42 N ATOM 810 CA VAL A 54 13.586 22.040 6.886 1.00 19.59 C ATOM 811 C VAL A 54 14.644 23.015 7.342 1.00 21.25 C ATOM 812 O VAL A 54 14.426 23.832 8.256 1.00 19.56 O ATOM 813 CB VAL A 54 12.842 22.600 5.657 1.00 18.84 C ATOM 814 CG1 VAL A 54 11.999 21.532 4.981 1.00 20.16 C ATOM 815 CG2 VAL A 54 12.047 23.834 6.022 1.00 21.65 C ATOM 816 HA VAL A 54 14.040 21.107 6.552 1.00 0.00 H ATOM 817 HB VAL A 54 13.584 22.910 4.921 1.00 0.00 H ATOM 818 HG11 VAL A 54 12.643 20.716 4.653 1.00 0.00 H ATOM 819 HG12 VAL A 54 11.261 21.152 5.688 1.00 0.00 H ATOM 820 HG13 VAL A 54 11.490 21.964 4.119 1.00 0.00 H ATOM 821 HG21 VAL A 54 11.315 23.580 6.789 1.00 0.00 H ATOM 822 HG22 VAL A 54 12.722 24.600 6.402 1.00 0.00 H ATOM 823 HG23 VAL A 54 11.532 24.208 5.137 1.00 0.00 H ATOM 824 H VAL A 54 12.131 22.424 8.396 1.00 0.00 H ATOM 825 N ALA A 55 15.812 22.898 6.731 1.00 19.13 N ATOM 826 CA ALA A 55 16.879 23.872 6.826 1.00 19.03 C ATOM 827 C ALA A 55 16.969 24.723 5.570 1.00 19.69 C ATOM 828 O ALA A 55 16.881 24.207 4.443 1.00 20.20 O ATOM 829 CB ALA A 55 18.225 23.168 7.046 1.00 21.19 C ATOM 830 HA ALA A 55 16.653 24.519 7.674 1.00 0.00 H ATOM 831 HB1 ALA A 55 18.185 22.592 7.970 1.00 0.00 H ATOM 832 HB2 ALA A 55 18.426 22.500 6.208 1.00 0.00 H ATOM 833 HB3 ALA A 55 19.017 23.914 7.115 1.00 0.00 H ATOM 834 H ALA A 55 15.974 22.054 6.146 1.00 0.00 H ATOM 835 N VAL A 56 17.132 26.028 5.788 1.00 20.31 N ATOM 836 CA VAL A 56 17.055 27.023 4.709 1.00 21.84 C ATOM 837 C VAL A 56 18.314 27.863 4.688 1.00 22.47 C ATOM 838 O VAL A 56 18.809 28.316 5.716 1.00 23.43 O ATOM 839 CB VAL A 56 15.830 27.946 4.897 1.00 22.87 C ATOM 840 CG1 VAL A 56 15.801 29.057 3.831 1.00 23.74 C ATOM 841 CG2 VAL A 56 14.538 27.120 4.874 1.00 24.68 C ATOM 842 HA VAL A 56 16.952 26.490 3.764 1.00 0.00 H ATOM 843 HB VAL A 56 15.910 28.432 5.869 1.00 0.00 H ATOM 844 HG11 VAL A 56 16.706 29.659 3.911 1.00 0.00 H ATOM 845 HG12 VAL A 56 15.749 28.606 2.840 1.00 0.00 H ATOM 846 HG13 VAL A 56 14.928 29.689 3.991 1.00 0.00 H ATOM 847 HG21 VAL A 56 14.455 26.605 3.917 1.00 0.00 H ATOM 848 HG22 VAL A 56 14.562 26.388 5.681 1.00 0.00 H ATOM 849 HG23 VAL A 56 13.683 27.782 5.007 1.00 0.00 H ATOM 850 H VAL A 56 17.321 26.354 6.757 1.00 0.00 H ATOM 851 N HIS A 57 18.820 28.111 3.497 1.00 22.85 N ATOM 852 CA HIS A 57 19.958 29.054 3.321 1.00 26.17 C ATOM 853 C HIS A 57 19.731 29.859 2.035 1.00 26.17 C ATOM 854 O HIS A 57 19.427 29.318 1.002 1.00 26.71 O ATOM 855 CB HIS A 57 21.267 28.260 3.184 1.00 30.96 C ATOM 856 CG HIS A 57 22.406 29.080 2.667 1.00 34.85 C ATOM 857 ND1 HIS A 57 23.084 29.973 3.453 1.00 42.23 N ATOM 858 CD2 HIS A 57 22.928 29.189 1.430 1.00 35.39 C ATOM 859 CE1 HIS A 57 24.014 30.575 2.735 1.00 38.42 C ATOM 860 NE2 HIS A 57 23.932 30.125 1.498 1.00 38.12 N ATOM 861 HA HIS A 57 20.023 29.719 4.182 1.00 0.00 H ATOM 862 HB2 HIS A 57 21.539 27.869 4.165 1.00 0.00 H ATOM 863 HB3 HIS A 57 21.098 27.430 2.498 1.00 0.00 H ATOM 864 HD2 HIS A 57 22.614 28.639 0.543 1.00 0.00 H ATOM 865 HE1 HIS A 57 24.726 31.315 3.101 1.00 0.00 H ATOM 866 H HIS A 57 18.416 27.638 2.663 1.00 0.00 H ATOM 867 N ASP A 58 19.897 31.189 2.155 1.00 29.35 N ATOM 868 CA ASP A 58 19.692 32.091 0.988 1.00 32.42 C ATOM 869 C ASP A 58 18.388 31.796 0.256 1.00 30.16 C ATOM 870 O ASP A 58 18.379 31.695 -0.955 1.00 29.17 O ATOM 871 CB ASP A 58 20.861 31.958 0.021 1.00 38.27 C ATOM 872 CG ASP A 58 20.951 33.157 -0.990 1.00 42.58 C ATOM 873 OD1 ASP A 58 20.312 34.220 -0.759 1.00 46.62 O ATOM 874 OD2 ASP A 58 21.641 32.996 -2.012 1.00 50.02 O ATOM 875 HA ASP A 58 19.635 33.111 1.369 1.00 0.00 H ATOM 876 HB2 ASP A 58 21.786 31.916 0.596 1.00 0.00 H ATOM 877 HB3 ASP A 58 20.743 31.033 -0.544 1.00 0.00 H ATOM 878 H ASP A 58 20.172 31.592 3.074 1.00 0.00 H ATOM 879 N GLY A 59 17.284 31.625 0.981 1.00 30.68 N ATOM 880 CA GLY A 59 15.987 31.396 0.355 1.00 29.46 C ATOM 881 C GLY A 59 15.778 30.005 -0.242 1.00 27.51 C ATOM 882 O GLY A 59 14.761 29.720 -0.830 1.00 29.87 O ATOM 883 HA3 GLY A 59 15.867 32.126 -0.445 1.00 0.00 H ATOM 884 HA2 GLY A 59 15.217 31.556 1.110 1.00 0.00 H ATOM 885 H GLY A 59 17.348 31.656 2.019 1.00 0.00 H ATOM 886 N GLN A 60 16.732 29.089 -0.029 1.00 23.82 N ATOM 887 CA GLN A 60 16.579 27.739 -0.515 1.00 22.79 C ATOM 888 C GLN A 60 16.489 26.674 0.599 1.00 20.75 C ATOM 889 O GLN A 60 17.251 26.656 1.573 1.00 24.93 O ATOM 890 CB GLN A 60 17.720 27.357 -1.417 1.00 26.07 C ATOM 891 CG GLN A 60 17.930 28.333 -2.571 1.00 28.51 C ATOM 892 CD GLN A 60 18.836 27.757 -3.627 1.00 33.93 C ATOM 893 OE1 GLN A 60 18.416 27.585 -4.776 1.00 43.49 O ATOM 894 NE2 GLN A 60 20.078 27.438 -3.257 1.00 31.59 N ATOM 895 HA GLN A 60 15.632 27.749 -1.054 1.00 0.00 H ATOM 896 HB2 GLN A 60 18.634 27.321 -0.823 1.00 0.00 H ATOM 897 HB3 GLN A 60 17.518 26.369 -1.831 1.00 0.00 H ATOM 898 HG2 GLN A 60 16.964 28.563 -3.020 1.00 0.00 H ATOM 899 HG3 GLN A 60 18.376 29.249 -2.183 1.00 0.00 H ATOM 900 HE22 GLN A 60 20.387 27.601 -2.277 1.00 0.00 H ATOM 901 HE21 GLN A 60 20.737 27.026 -3.948 1.00 0.00 H ATOM 902 H GLN A 60 17.592 29.354 0.492 1.00 0.00 H ATOM 903 N VAL A 61 15.477 25.816 0.399 1.00 20.32 N ATOM 904 CA VAL A 61 15.365 24.632 1.257 1.00 21.66 C ATOM 905 C VAL A 61 16.499 23.643 0.840 1.00 19.83 C ATOM 906 O VAL A 61 16.549 23.202 -0.309 1.00 21.52 O ATOM 907 CB VAL A 61 13.976 23.978 1.127 1.00 20.89 C ATOM 908 CG1 VAL A 61 13.953 22.650 1.866 1.00 21.70 C ATOM 909 CG2 VAL A 61 12.841 24.898 1.627 1.00 22.55 C ATOM 910 HA VAL A 61 15.476 24.912 2.305 1.00 0.00 H ATOM 911 HB VAL A 61 13.796 23.804 0.066 1.00 0.00 H ATOM 912 HG11 VAL A 61 14.704 21.985 1.439 1.00 0.00 H ATOM 913 HG12 VAL A 61 14.173 22.818 2.920 1.00 0.00 H ATOM 914 HG13 VAL A 61 12.966 22.198 1.767 1.00 0.00 H ATOM 915 HG21 VAL A 61 13.004 25.136 2.678 1.00 0.00 H ATOM 916 HG22 VAL A 61 12.836 25.818 1.042 1.00 0.00 H ATOM 917 HG23 VAL A 61 11.885 24.388 1.513 1.00 0.00 H ATOM 918 H VAL A 61 14.781 25.988 -0.355 1.00 0.00 H ATOM 919 N LEU A 62 17.399 23.355 1.800 1.00 20.31 N ATOM 920 CA LEU A 62 18.593 22.554 1.478 1.00 20.54 C ATOM 921 C LEU A 62 18.635 21.272 2.295 1.00 21.30 C ATOM 922 O LEU A 62 19.470 20.414 1.997 1.00 20.67 O ATOM 923 CB LEU A 62 19.872 23.345 1.762 1.00 22.65 C ATOM 924 CG LEU A 62 20.195 24.604 0.892 1.00 25.47 C ATOM 925 CD1 LEU A 62 21.519 25.179 1.233 1.00 28.65 C ATOM 926 CD2 LEU A 62 20.073 24.333 -0.584 1.00 25.99 C ATOM 927 HA LEU A 62 18.533 22.309 0.418 1.00 0.00 H ATOM 928 HB2 LEU A 62 19.818 23.678 2.798 1.00 0.00 H ATOM 929 HB3 LEU A 62 20.707 22.654 1.647 1.00 0.00 H ATOM 930 HG LEU A 62 19.439 25.350 1.135 1.00 0.00 H ATOM 931 HD21 LEU A 62 20.769 23.543 -0.866 1.00 0.00 H ATOM 932 HD22 LEU A 62 19.054 24.020 -0.812 1.00 0.00 H ATOM 933 HD23 LEU A 62 20.308 25.241 -1.139 1.00 0.00 H ATOM 934 HD11 LEU A 62 21.526 25.474 2.282 1.00 0.00 H ATOM 935 HD12 LEU A 62 22.294 24.432 1.059 1.00 0.00 H ATOM 936 HD13 LEU A 62 21.707 26.052 0.607 1.00 0.00 H ATOM 937 H LEU A 62 17.251 23.699 2.770 1.00 0.00 H ATOM 938 N GLY A 63 17.827 21.132 3.339 1.00 20.45 N ATOM 939 CA GLY A 63 17.856 19.909 4.159 1.00 19.54 C ATOM 940 C GLY A 63 16.527 19.629 4.793 1.00 17.58 C ATOM 941 O GLY A 63 15.660 20.564 4.902 1.00 18.07 O ATOM 942 HA3 GLY A 63 18.603 20.028 4.944 1.00 0.00 H ATOM 943 HA2 GLY A 63 18.129 19.066 3.525 1.00 0.00 H ATOM 944 H GLY A 63 17.165 21.896 3.581 1.00 0.00 H ATOM 945 N PHE A 64 16.300 18.389 5.187 1.00 17.08 N ATOM 946 CA PHE A 64 15.048 17.902 5.745 1.00 16.51 C ATOM 947 C PHE A 64 15.368 16.806 6.718 1.00 17.69 C ATOM 948 O PHE A 64 16.299 15.994 6.467 1.00 17.50 O ATOM 949 CB PHE A 64 14.106 17.398 4.643 1.00 16.78 C ATOM 950 CG PHE A 64 12.821 16.775 5.133 1.00 17.07 C ATOM 951 CD1 PHE A 64 11.681 17.576 5.324 1.00 18.61 C ATOM 952 CD2 PHE A 64 12.702 15.431 5.395 1.00 17.00 C ATOM 953 CE1 PHE A 64 10.512 17.010 5.741 1.00 18.52 C ATOM 954 CE2 PHE A 64 11.538 14.862 5.770 1.00 16.72 C ATOM 955 CZ PHE A 64 10.427 15.660 5.978 1.00 18.03 C ATOM 956 HA PHE A 64 14.531 18.716 6.254 1.00 0.00 H ATOM 957 HB2 PHE A 64 13.850 18.244 4.005 1.00 0.00 H ATOM 958 HB3 PHE A 64 14.641 16.651 4.057 1.00 0.00 H ATOM 959 HD2 PHE A 64 13.585 14.799 5.296 1.00 0.00 H ATOM 960 HE2 PHE A 64 11.473 13.783 5.908 1.00 0.00 H ATOM 961 HZ PHE A 64 9.492 15.221 6.327 1.00 0.00 H ATOM 962 HE1 PHE A 64 9.633 17.638 5.888 1.00 0.00 H ATOM 963 HD1 PHE A 64 11.731 18.649 5.139 1.00 0.00 H ATOM 964 H PHE A 64 17.079 17.706 5.091 1.00 0.00 H ATOM 965 N ALA A 65 14.620 16.695 7.855 1.00 18.13 N ATOM 966 CA ALA A 65 14.765 15.525 8.726 1.00 17.51 C ATOM 967 C ALA A 65 13.481 15.434 9.570 1.00 16.67 C ATOM 968 O ALA A 65 12.705 16.437 9.649 1.00 16.45 O ATOM 969 CB ALA A 65 15.960 15.705 9.666 1.00 18.87 C ATOM 970 HA ALA A 65 14.925 14.626 8.130 1.00 0.00 H ATOM 971 HB1 ALA A 65 16.869 15.825 9.077 1.00 0.00 H ATOM 972 HB2 ALA A 65 15.806 16.591 10.282 1.00 0.00 H ATOM 973 HB3 ALA A 65 16.053 14.827 10.306 1.00 0.00 H ATOM 974 H ALA A 65 13.944 17.445 8.104 1.00 0.00 H ATOM 975 N ASN A 66 13.268 14.291 10.235 1.00 16.75 N ATOM 976 CA ASN A 66 12.141 14.154 11.150 1.00 18.17 C ATOM 977 C ASN A 66 12.507 13.069 12.202 1.00 18.15 C ATOM 978 O ASN A 66 13.636 12.620 12.227 1.00 19.60 O ATOM 979 CB ASN A 66 10.841 13.840 10.398 1.00 18.62 C ATOM 980 CG ASN A 66 10.917 12.641 9.498 1.00 16.99 C ATOM 981 OD1 ASN A 66 11.594 11.651 9.777 1.00 17.24 O ATOM 982 ND2 ASN A 66 10.195 12.738 8.348 1.00 17.75 N ATOM 983 HA ASN A 66 11.953 15.097 11.664 1.00 0.00 H ATOM 984 HB2 ASN A 66 10.056 13.665 11.133 1.00 0.00 H ATOM 985 HB3 ASN A 66 10.581 14.707 9.790 1.00 0.00 H ATOM 986 HD22 ASN A 66 9.637 13.594 8.155 1.00 0.00 H ATOM 987 HD21 ASN A 66 10.201 11.956 7.663 1.00 0.00 H ATOM 988 H ASN A 66 13.916 13.489 10.097 1.00 0.00 H ATOM 989 N PHE A 67 11.516 12.700 13.018 1.00 19.19 N ATOM 990 CA PHE A 67 11.678 11.546 13.887 1.00 19.03 C ATOM 991 C PHE A 67 10.736 10.399 13.489 1.00 20.76 C ATOM 992 O PHE A 67 9.530 10.619 13.271 1.00 20.50 O ATOM 993 CB PHE A 67 11.322 11.931 15.348 1.00 17.98 C ATOM 994 CG PHE A 67 12.127 13.060 15.948 1.00 17.84 C ATOM 995 CD1 PHE A 67 13.508 13.031 15.947 1.00 18.70 C ATOM 996 CD2 PHE A 67 11.491 14.088 16.671 1.00 20.55 C ATOM 997 CE1 PHE A 67 14.272 14.048 16.495 1.00 19.81 C ATOM 998 CE2 PHE A 67 12.269 15.111 17.208 1.00 21.88 C ATOM 999 CZ PHE A 67 13.617 15.081 17.152 1.00 19.07 C ATOM 1000 HA PHE A 67 12.715 11.225 13.795 1.00 0.00 H ATOM 1001 HB2 PHE A 67 10.271 12.221 15.371 1.00 0.00 H ATOM 1002 HB3 PHE A 67 11.468 11.049 15.971 1.00 0.00 H ATOM 1003 HD2 PHE A 67 10.410 14.083 16.808 1.00 0.00 H ATOM 1004 HE2 PHE A 67 11.776 15.958 17.686 1.00 0.00 H ATOM 1005 HZ PHE A 67 14.196 15.874 17.626 1.00 0.00 H ATOM 1006 HE1 PHE A 67 15.359 14.038 16.413 1.00 0.00 H ATOM 1007 HD1 PHE A 67 14.015 12.177 15.499 1.00 0.00 H ATOM 1008 H PHE A 67 10.627 13.239 13.032 1.00 0.00 H ATOM 1009 N TYR A 68 11.254 9.177 13.392 1.00 19.92 N ATOM 1010 CA TYR A 68 10.365 8.078 13.106 1.00 21.41 C ATOM 1011 C TYR A 68 10.019 7.301 14.357 1.00 24.18 C ATOM 1012 O TYR A 68 9.195 6.419 14.320 1.00 25.25 O ATOM 1013 CB TYR A 68 10.863 7.110 12.004 1.00 22.10 C ATOM 1014 CG TYR A 68 12.119 6.372 12.335 1.00 23.64 C ATOM 1015 CD1 TYR A 68 13.320 6.934 12.088 1.00 29.79 C ATOM 1016 CD2 TYR A 68 12.099 5.167 13.010 1.00 23.53 C ATOM 1017 CE1 TYR A 68 14.477 6.302 12.381 1.00 29.18 C ATOM 1018 CE2 TYR A 68 13.294 4.470 13.266 1.00 26.69 C ATOM 1019 CZ TYR A 68 14.476 5.126 12.975 1.00 28.89 C ATOM 1020 OH TYR A 68 15.709 4.610 13.161 1.00 38.32 O ATOM 1021 HA TYR A 68 9.468 8.554 12.709 1.00 0.00 H ATOM 1022 HB3 TYR A 68 11.040 7.690 11.098 1.00 0.00 H ATOM 1023 HB2 TYR A 68 10.078 6.377 11.817 1.00 0.00 H ATOM 1024 HD2 TYR A 68 11.149 4.752 13.347 1.00 0.00 H ATOM 1025 HE2 TYR A 68 13.288 3.460 13.675 1.00 0.00 H ATOM 1026 HE1 TYR A 68 15.426 6.772 12.122 1.00 0.00 H ATOM 1027 HD1 TYR A 68 13.358 7.927 11.639 1.00 0.00 H ATOM 1028 HH TYR A 68 15.835 4.396 14.119 1.00 0.00 H ATOM 1029 H TYR A 68 12.274 9.019 13.519 1.00 0.00 H ATOM 1030 N GLN A 69 10.697 7.586 15.449 1.00 21.56 N ATOM 1031 CA GLN A 69 10.294 7.099 16.819 1.00 23.63 C ATOM 1032 C GLN A 69 10.530 8.199 17.786 1.00 24.01 C ATOM 1033 O GLN A 69 11.412 9.023 17.636 1.00 22.06 O ATOM 1034 CB GLN A 69 11.160 5.928 17.337 1.00 26.29 C ATOM 1035 CG GLN A 69 11.052 4.712 16.507 1.00 28.55 C ATOM 1036 CD GLN A 69 12.045 3.599 16.922 1.00 35.21 C ATOM 1037 OE1 GLN A 69 12.976 3.815 17.676 1.00 35.48 O ATOM 1038 NE2 GLN A 69 11.876 2.424 16.318 1.00 39.52 N ATOM 1039 HA GLN A 69 9.256 6.776 16.736 1.00 0.00 H ATOM 1040 HB2 GLN A 69 12.202 6.247 17.350 1.00 0.00 H ATOM 1041 HB3 GLN A 69 10.843 5.685 18.351 1.00 0.00 H ATOM 1042 HG2 GLN A 69 10.038 4.322 16.594 1.00 0.00 H ATOM 1043 HG3 GLN A 69 11.248 4.982 15.469 1.00 0.00 H ATOM 1044 HE22 GLN A 69 11.067 2.279 15.680 1.00 0.00 H ATOM 1045 HE21 GLN A 69 12.553 1.652 16.484 1.00 0.00 H ATOM 1046 H GLN A 69 11.550 8.174 15.363 1.00 0.00 H ATOM 1047 N TRP A 70 9.643 8.280 18.778 1.00 25.05 N ATOM 1048 CA TRP A 70 9.714 9.311 19.776 1.00 22.21 C ATOM 1049 C TRP A 70 9.065 8.732 21.053 1.00 27.87 C ATOM 1050 O TRP A 70 8.047 8.053 20.990 1.00 30.37 O ATOM 1051 CB TRP A 70 8.983 10.589 19.349 1.00 25.49 C ATOM 1052 CG TRP A 70 7.617 10.371 18.964 1.00 27.62 C ATOM 1053 CD1 TRP A 70 6.474 10.509 19.750 1.00 28.69 C ATOM 1054 CD2 TRP A 70 7.133 10.001 17.664 1.00 24.52 C ATOM 1055 NE1 TRP A 70 5.385 10.189 19.041 1.00 29.86 N ATOM 1056 CE2 TRP A 70 5.738 9.913 17.742 1.00 27.12 C ATOM 1057 CE3 TRP A 70 7.752 9.760 16.423 1.00 23.52 C ATOM 1058 CZ2 TRP A 70 4.941 9.512 16.670 1.00 27.36 C ATOM 1059 CZ3 TRP A 70 6.942 9.389 15.356 1.00 25.42 C ATOM 1060 CH2 TRP A 70 5.564 9.217 15.491 1.00 26.00 C ATOM 1061 HA TRP A 70 10.754 9.595 19.937 1.00 0.00 H ATOM 1062 HB2 TRP A 70 8.998 11.290 20.184 1.00 0.00 H ATOM 1063 HB3 TRP A 70 9.514 11.023 18.502 1.00 0.00 H ATOM 1064 HE1 TRP A 70 4.416 10.154 19.417 1.00 0.00 H ATOM 1065 HD1 TRP A 70 6.468 10.831 20.791 1.00 0.00 H ATOM 1066 HZ2 TRP A 70 3.858 9.437 16.770 1.00 0.00 H ATOM 1067 HH2 TRP A 70 4.980 8.844 14.649 1.00 0.00 H ATOM 1068 HZ3 TRP A 70 7.399 9.227 14.380 1.00 0.00 H ATOM 1069 HE3 TRP A 70 8.831 9.861 16.303 1.00 0.00 H ATOM 1070 H TRP A 70 8.878 7.577 18.831 1.00 0.00 H ATOM 1071 N GLN A 71 9.728 8.957 22.180 1.00 26.17 N ATOM 1072 CA GLN A 71 9.266 8.369 23.435 1.00 26.77 C ATOM 1073 C GLN A 71 9.572 9.412 24.490 1.00 23.09 C ATOM 1074 O GLN A 71 10.726 9.674 24.816 1.00 24.07 O ATOM 1075 CB GLN A 71 9.937 7.016 23.698 1.00 30.26 C ATOM 1076 CG GLN A 71 9.592 5.875 22.727 1.00 42.66 C ATOM 1077 CD GLN A 71 8.116 5.432 22.797 1.00 49.03 C ATOM 1078 OE1 GLN A 71 7.478 5.458 23.861 1.00 50.62 O ATOM 1079 NE2 GLN A 71 7.569 5.036 21.642 1.00 58.81 N ATOM 1080 HA GLN A 71 8.201 8.137 23.425 1.00 0.00 H ATOM 1081 HB2 GLN A 71 11.016 7.169 23.659 1.00 0.00 H ATOM 1082 HB3 GLN A 71 9.653 6.695 24.700 1.00 0.00 H ATOM 1083 HG2 GLN A 71 9.804 6.210 21.712 1.00 0.00 H ATOM 1084 HG3 GLN A 71 10.221 5.017 22.964 1.00 0.00 H ATOM 1085 HE22 GLN A 71 8.139 5.029 20.772 1.00 0.00 H ATOM 1086 HE21 GLN A 71 6.574 4.735 21.614 1.00 0.00 H ATOM 1087 H GLN A 71 10.580 9.554 22.170 1.00 0.00 H ATOM 1088 N HIS A 72 8.499 10.119 24.898 1.00 26.68 N ATOM 1089 CA HIS A 72 8.622 11.270 25.849 1.00 26.20 C ATOM 1090 C HIS A 72 9.416 10.831 27.088 1.00 24.78 C ATOM 1091 O HIS A 72 9.163 9.778 27.665 1.00 25.60 O ATOM 1092 CB HIS A 72 7.250 11.863 26.322 1.00 29.44 C ATOM 1093 CG HIS A 72 7.352 13.254 26.908 1.00 29.84 C ATOM 1094 ND1 HIS A 72 7.491 13.509 28.259 1.00 31.78 N ATOM 1095 CD2 HIS A 72 7.324 14.469 26.310 1.00 31.03 C ATOM 1096 CE1 HIS A 72 7.570 14.815 28.459 1.00 30.73 C ATOM 1097 NE2 HIS A 72 7.462 15.418 27.293 1.00 33.94 N ATOM 1098 HA HIS A 72 9.135 12.058 25.297 1.00 0.00 H ATOM 1099 HB2 HIS A 72 6.578 11.900 25.465 1.00 0.00 H ATOM 1100 HB3 HIS A 72 6.833 11.201 27.081 1.00 0.00 H ATOM 1101 HD2 HIS A 72 7.212 14.659 25.243 1.00 0.00 H ATOM 1102 HE1 HIS A 72 7.702 15.307 29.423 1.00 0.00 H ATOM 1103 H HIS A 72 7.558 9.857 24.542 1.00 0.00 H ATOM 1104 N GLY A 73 10.400 11.644 27.427 1.00 24.33 N ATOM 1105 CA GLY A 73 11.257 11.409 28.597 1.00 24.17 C ATOM 1106 C GLY A 73 12.348 10.401 28.394 1.00 22.92 C ATOM 1107 O GLY A 73 13.110 10.074 29.320 1.00 23.83 O ATOM 1108 HA3 GLY A 73 10.625 11.063 29.415 1.00 0.00 H ATOM 1109 HA2 GLY A 73 11.719 12.357 28.873 1.00 0.00 H ATOM 1110 H GLY A 73 10.576 12.485 26.842 1.00 0.00 H ATOM 1111 N ASP A 74 12.492 9.932 27.114 1.00 21.27 N ATOM 1112 CA ASP A 74 13.343 8.765 26.826 1.00 21.09 C ATOM 1113 C ASP A 74 14.317 9.057 25.675 1.00 17.42 C ATOM 1114 O ASP A 74 15.478 9.445 25.852 1.00 20.68 O ATOM 1115 CB ASP A 74 12.480 7.512 26.670 1.00 22.15 C ATOM 1116 CG ASP A 74 13.252 6.207 26.670 1.00 21.78 C ATOM 1117 OD1 ASP A 74 14.453 6.224 26.857 1.00 27.00 O ATOM 1118 OD2 ASP A 74 12.522 5.198 26.535 1.00 27.84 O ATOM 1119 HA ASP A 74 13.998 8.555 27.672 1.00 0.00 H ATOM 1120 HB2 ASP A 74 11.767 7.485 27.494 1.00 0.00 H ATOM 1121 HB3 ASP A 74 11.939 7.587 25.726 1.00 0.00 H ATOM 1122 H ASP A 74 11.993 10.407 26.335 1.00 0.00 H ATOM 1123 N PHE A 75 13.786 8.931 24.424 1.00 20.23 N ATOM 1124 CA PHE A 75 14.635 9.114 23.258 1.00 19.63 C ATOM 1125 C PHE A 75 13.768 9.550 22.071 1.00 20.08 C ATOM 1126 O PHE A 75 12.580 9.345 22.040 1.00 21.69 O ATOM 1127 CB PHE A 75 15.380 7.777 22.879 1.00 19.12 C ATOM 1128 CG PHE A 75 14.502 6.726 22.363 1.00 21.44 C ATOM 1129 CD1 PHE A 75 13.890 5.789 23.191 1.00 24.23 C ATOM 1130 CD2 PHE A 75 14.300 6.611 20.994 1.00 25.21 C ATOM 1131 CE1 PHE A 75 13.027 4.803 22.676 1.00 26.91 C ATOM 1132 CE2 PHE A 75 13.483 5.619 20.473 1.00 26.85 C ATOM 1133 CZ PHE A 75 12.829 4.731 21.307 1.00 29.27 C ATOM 1134 HA PHE A 75 15.381 9.874 23.492 1.00 0.00 H ATOM 1135 HB2 PHE A 75 16.125 8.005 22.117 1.00 0.00 H ATOM 1136 HB3 PHE A 75 15.879 7.399 23.771 1.00 0.00 H ATOM 1137 HD2 PHE A 75 14.791 7.311 20.318 1.00 0.00 H ATOM 1138 HE2 PHE A 75 13.355 5.538 19.394 1.00 0.00 H ATOM 1139 HZ PHE A 75 12.161 3.978 20.889 1.00 0.00 H ATOM 1140 HE1 PHE A 75 12.522 4.106 23.345 1.00 0.00 H ATOM 1141 HD1 PHE A 75 14.084 5.819 24.263 1.00 0.00 H ATOM 1142 H PHE A 75 12.778 8.705 24.305 1.00 0.00 H ATOM 1143 N CYS A 76 14.440 10.039 21.024 1.00 19.04 N ATOM 1144 CA CYS A 76 13.837 10.089 19.687 1.00 19.68 C ATOM 1145 C CYS A 76 14.823 9.392 18.734 1.00 19.00 C ATOM 1146 O CYS A 76 16.015 9.289 19.030 1.00 19.22 O ATOM 1147 CB CYS A 76 13.691 11.502 19.261 1.00 19.37 C ATOM 1148 SG CYS A 76 12.477 12.437 20.314 1.00 22.10 S ATOM 1149 HA CYS A 76 12.858 9.611 19.683 1.00 0.00 H ATOM 1150 HB2 CYS A 76 13.347 11.523 18.227 1.00 0.00 H ATOM 1151 HB3 CYS A 76 14.663 11.991 19.329 1.00 0.00 H ATOM 1152 HG CYS A 76 12.389 13.739 19.866 1.00 0.00 H ATOM 1153 H CYS A 76 15.409 10.391 21.160 1.00 0.00 H ATOM 1154 N ALA A 77 14.303 8.971 17.558 1.00 19.49 N ATOM 1155 CA ALA A 77 15.140 8.335 16.520 1.00 18.89 C ATOM 1156 C ALA A 77 14.979 9.192 15.273 1.00 17.31 C ATOM 1157 O ALA A 77 13.859 9.441 14.825 1.00 17.50 O ATOM 1158 CB ALA A 77 14.679 6.953 16.212 1.00 19.52 C ATOM 1159 HA ALA A 77 16.173 8.266 16.861 1.00 0.00 H ATOM 1160 HB1 ALA A 77 14.730 6.345 17.115 1.00 0.00 H ATOM 1161 HB2 ALA A 77 13.651 6.986 15.852 1.00 0.00 H ATOM 1162 HB3 ALA A 77 15.320 6.520 15.444 1.00 0.00 H ATOM 1163 H ALA A 77 13.286 9.099 17.380 1.00 0.00 H ATOM 1164 N LEU A 78 16.115 9.674 14.782 1.00 18.11 N ATOM 1165 CA LEU A 78 16.216 10.576 13.649 1.00 19.32 C ATOM 1166 C LEU A 78 16.004 9.831 12.347 1.00 20.83 C ATOM 1167 O LEU A 78 16.541 8.758 12.168 1.00 23.47 O ATOM 1168 CB LEU A 78 17.579 11.225 13.599 1.00 22.22 C ATOM 1169 CG LEU A 78 17.843 12.188 12.394 1.00 25.03 C ATOM 1170 CD1 LEU A 78 17.197 13.456 12.864 1.00 26.16 C ATOM 1171 CD2 LEU A 78 19.316 12.383 12.083 1.00 27.90 C ATOM 1172 HA LEU A 78 15.445 11.336 13.774 1.00 0.00 H ATOM 1173 HB2 LEU A 78 17.709 11.798 14.517 1.00 0.00 H ATOM 1174 HB3 LEU A 78 18.324 10.431 13.560 1.00 0.00 H ATOM 1175 HG LEU A 78 17.447 11.804 11.454 1.00 0.00 H ATOM 1176 HD21 LEU A 78 19.817 12.806 12.954 1.00 0.00 H ATOM 1177 HD22 LEU A 78 19.764 11.421 11.836 1.00 0.00 H ATOM 1178 HD23 LEU A 78 19.421 13.062 11.237 1.00 0.00 H ATOM 1179 HD11 LEU A 78 16.137 13.277 13.045 1.00 0.00 H ATOM 1180 HD12 LEU A 78 17.674 13.785 13.787 1.00 0.00 H ATOM 1181 HD13 LEU A 78 17.312 14.225 12.100 1.00 0.00 H ATOM 1182 H LEU A 78 17.000 9.383 15.245 1.00 0.00 H ATOM 1183 N GLY A 79 15.181 10.402 11.473 1.00 18.55 N ATOM 1184 CA GLY A 79 14.855 9.797 10.201 1.00 22.13 C ATOM 1185 C GLY A 79 14.839 10.781 9.062 1.00 19.28 C ATOM 1186 O GLY A 79 14.865 11.968 9.256 1.00 19.25 O ATOM 1187 HA3 GLY A 79 13.869 9.339 10.278 1.00 0.00 H ATOM 1188 HA2 GLY A 79 15.595 9.027 9.984 1.00 0.00 H ATOM 1189 H GLY A 79 14.755 11.320 11.714 1.00 0.00 H ATOM 1190 N ASN A 80 14.776 10.183 7.872 1.00 17.07 N ATOM 1191 CA ASN A 80 14.570 10.928 6.610 1.00 17.13 C ATOM 1192 C ASN A 80 15.547 12.053 6.483 1.00 18.64 C ATOM 1193 O ASN A 80 15.161 13.182 6.034 1.00 18.13 O ATOM 1194 CB ASN A 80 13.120 11.465 6.482 1.00 18.26 C ATOM 1195 CG ASN A 80 12.034 10.449 6.190 1.00 17.24 C ATOM 1196 OD1 ASN A 80 10.841 10.760 6.342 1.00 18.59 O ATOM 1197 ND2 ASN A 80 12.350 9.231 5.772 1.00 17.01 N ATOM 1198 HA ASN A 80 14.739 10.222 5.797 1.00 0.00 H ATOM 1199 HB2 ASN A 80 12.867 11.957 7.421 1.00 0.00 H ATOM 1200 HB3 ASN A 80 13.110 12.198 5.675 1.00 0.00 H ATOM 1201 HD22 ASN A 80 13.348 8.968 5.644 1.00 0.00 H ATOM 1202 HD21 ASN A 80 11.600 8.539 5.572 1.00 0.00 H ATOM 1203 H ASN A 80 14.876 9.149 7.829 1.00 0.00 H ATOM 1204 N MET A 81 16.820 11.824 6.793 1.00 18.09 N ATOM 1205 CA MET A 81 17.824 12.865 6.722 1.00 18.78 C ATOM 1206 C MET A 81 18.254 13.055 5.263 1.00 19.10 C ATOM 1207 O MET A 81 18.829 12.138 4.667 1.00 22.52 O ATOM 1208 CB MET A 81 19.038 12.519 7.635 1.00 23.78 C ATOM 1209 CG MET A 81 20.188 13.502 7.649 1.00 30.18 C ATOM 1210 SD MET A 81 19.839 14.974 8.685 1.00 30.48 S ATOM 1211 CE MET A 81 19.701 16.005 7.326 1.00 29.90 C ATOM 1212 HA MET A 81 17.404 13.803 7.085 1.00 0.00 H ATOM 1213 HB2 MET A 81 18.667 12.431 8.656 1.00 0.00 H ATOM 1214 HB3 MET A 81 19.432 11.556 7.309 1.00 0.00 H ATOM 1215 HG2 MET A 81 20.380 13.830 6.628 1.00 0.00 H ATOM 1216 HG3 MET A 81 21.073 13.000 8.041 1.00 0.00 H ATOM 1217 HE1 MET A 81 20.639 16.001 6.772 1.00 0.00 H ATOM 1218 HE2 MET A 81 18.896 15.650 6.683 1.00 0.00 H ATOM 1219 HE3 MET A 81 19.480 17.018 7.661 1.00 0.00 H ATOM 1220 H MET A 81 17.102 10.870 7.095 1.00 0.00 H ATOM 1221 N MET A 82 17.873 14.187 4.681 1.00 19.58 N ATOM 1222 CA MET A 82 18.037 14.455 3.244 1.00 20.40 C ATOM 1223 C MET A 82 18.630 15.808 3.051 1.00 23.04 C ATOM 1224 O MET A 82 18.253 16.772 3.725 1.00 23.42 O ATOM 1225 CB MET A 82 16.711 14.376 2.525 1.00 23.54 C ATOM 1226 CG MET A 82 15.938 13.134 2.695 1.00 23.62 C ATOM 1227 SD MET A 82 14.459 13.119 1.642 1.00 25.58 S ATOM 1228 CE MET A 82 13.481 11.932 2.459 1.00 27.78 C ATOM 1229 HA MET A 82 18.701 13.698 2.827 1.00 0.00 H ATOM 1230 HB2 MET A 82 16.093 15.201 2.880 1.00 0.00 H ATOM 1231 HB3 MET A 82 16.905 14.501 1.460 1.00 0.00 H ATOM 1232 HG2 MET A 82 15.631 13.047 3.737 1.00 0.00 H ATOM 1233 HG3 MET A 82 16.569 12.285 2.431 1.00 0.00 H ATOM 1234 HE1 MET A 82 14.010 10.979 2.480 1.00 0.00 H ATOM 1235 HE2 MET A 82 13.286 12.263 3.479 1.00 0.00 H ATOM 1236 HE3 MET A 82 12.537 11.813 1.928 1.00 0.00 H ATOM 1237 H MET A 82 17.436 14.922 5.273 1.00 0.00 H ATOM 1238 N VAL A 83 19.587 15.901 2.126 1.00 20.50 N ATOM 1239 CA VAL A 83 20.282 17.173 1.824 1.00 20.80 C ATOM 1240 C VAL A 83 20.297 17.340 0.302 1.00 19.84 C ATOM 1241 O VAL A 83 20.538 16.395 -0.488 1.00 22.30 O ATOM 1242 CB VAL A 83 21.720 17.179 2.417 1.00 21.42 C ATOM 1243 CG1 VAL A 83 22.554 18.413 1.983 1.00 22.93 C ATOM 1244 CG2 VAL A 83 21.667 16.985 3.944 1.00 24.47 C ATOM 1245 HA VAL A 83 19.759 18.012 2.284 1.00 0.00 H ATOM 1246 HB VAL A 83 22.258 16.330 1.995 1.00 0.00 H ATOM 1247 HG11 VAL A 83 22.645 18.425 0.897 1.00 0.00 H ATOM 1248 HG12 VAL A 83 22.055 19.323 2.317 1.00 0.00 H ATOM 1249 HG13 VAL A 83 23.546 18.355 2.431 1.00 0.00 H ATOM 1250 HG21 VAL A 83 21.092 17.796 4.392 1.00 0.00 H ATOM 1251 HG22 VAL A 83 21.191 16.031 4.171 1.00 0.00 H ATOM 1252 HG23 VAL A 83 22.680 16.991 4.345 1.00 0.00 H ATOM 1253 H VAL A 83 19.855 15.047 1.597 1.00 0.00 H ATOM 1254 N ALA A 84 20.070 18.568 -0.118 1.00 19.78 N ATOM 1255 CA ALA A 84 20.124 18.916 -1.540 1.00 21.80 C ATOM 1256 C ALA A 84 21.507 18.566 -2.127 1.00 22.97 C ATOM 1257 O ALA A 84 22.516 18.825 -1.482 1.00 23.56 O ATOM 1258 CB ALA A 84 19.873 20.390 -1.705 1.00 22.27 C ATOM 1259 HA ALA A 84 19.360 18.347 -2.070 1.00 0.00 H ATOM 1260 HB1 ALA A 84 18.889 20.636 -1.307 1.00 0.00 H ATOM 1261 HB2 ALA A 84 20.636 20.950 -1.164 1.00 0.00 H ATOM 1262 HB3 ALA A 84 19.913 20.648 -2.763 1.00 0.00 H ATOM 1263 H ALA A 84 19.847 19.309 0.577 1.00 0.00 H ATOM 1264 N PRO A 85 21.507 18.014 -3.331 1.00 26.81 N ATOM 1265 CA PRO A 85 22.772 17.604 -3.938 1.00 32.71 C ATOM 1266 C PRO A 85 23.779 18.754 -4.159 1.00 33.81 C ATOM 1267 O PRO A 85 24.975 18.518 -3.998 1.00 38.71 O ATOM 1268 CB PRO A 85 22.315 16.934 -5.256 1.00 33.27 C ATOM 1269 CG PRO A 85 20.977 17.544 -5.552 1.00 35.56 C ATOM 1270 CD PRO A 85 20.369 17.584 -4.159 1.00 31.74 C ATOM 1271 HA PRO A 85 23.342 16.940 -3.288 1.00 0.00 H ATOM 1272 HD3 PRO A 85 19.549 18.301 -4.106 1.00 0.00 H ATOM 1273 HD2 PRO A 85 20.010 16.600 -3.856 1.00 0.00 H ATOM 1274 HG3 PRO A 85 20.392 16.920 -6.228 1.00 0.00 H ATOM 1275 HG2 PRO A 85 21.076 18.543 -5.976 1.00 0.00 H ATOM 1276 HB2 PRO A 85 23.020 17.146 -6.060 1.00 0.00 H ATOM 1277 HB3 PRO A 85 22.226 15.855 -5.128 1.00 0.00 H ATOM 1278 N ALA A 86 23.319 19.990 -4.357 1.00 33.02 N ATOM 1279 CA ALA A 86 24.277 21.150 -4.464 1.00 36.16 C ATOM 1280 C ALA A 86 24.854 21.639 -3.123 1.00 39.04 C ATOM 1281 O ALA A 86 25.812 22.409 -3.113 1.00 40.87 O ATOM 1282 CB ALA A 86 23.643 22.311 -5.228 1.00 40.83 C ATOM 1283 HA ALA A 86 25.129 20.761 -5.021 1.00 0.00 H ATOM 1284 HB1 ALA A 86 23.377 21.981 -6.232 1.00 0.00 H ATOM 1285 HB2 ALA A 86 22.747 22.643 -4.704 1.00 0.00 H ATOM 1286 HB3 ALA A 86 24.354 23.134 -5.291 1.00 0.00 H ATOM 1287 H ALA A 86 22.295 20.155 -4.438 1.00 0.00 H ATOM 1288 N ALA A 87 24.310 21.168 -1.990 1.00 26.70 N ATOM 1289 CA ALA A 87 24.774 21.538 -0.665 1.00 28.83 C ATOM 1290 C ALA A 87 25.410 20.434 0.163 1.00 26.93 C ATOM 1291 O ALA A 87 25.538 20.576 1.376 1.00 29.47 O ATOM 1292 CB ALA A 87 23.616 22.133 0.102 1.00 29.52 C ATOM 1293 HA ALA A 87 25.582 22.250 -0.834 1.00 0.00 H ATOM 1294 HB1 ALA A 87 23.249 23.015 -0.423 1.00 0.00 H ATOM 1295 HB2 ALA A 87 22.817 21.396 0.180 1.00 0.00 H ATOM 1296 HB3 ALA A 87 23.950 22.416 1.100 1.00 0.00 H ATOM 1297 H ALA A 87 23.514 20.503 -2.065 1.00 0.00 H ATOM 1298 N ARG A 88 25.820 19.325 -0.463 1.00 31.26 N ATOM 1299 CA ARG A 88 26.458 18.235 0.279 1.00 31.43 C ATOM 1300 C ARG A 88 27.844 18.649 0.843 1.00 28.69 C ATOM 1301 O ARG A 88 28.591 19.334 0.169 1.00 31.55 O ATOM 1302 CB ARG A 88 26.668 17.023 -0.641 1.00 31.05 C ATOM 1303 CG ARG A 88 25.429 16.453 -1.346 1.00 35.00 C ATOM 1304 CD ARG A 88 24.552 15.677 -0.386 1.00 34.01 C ATOM 1305 NE ARG A 88 23.214 15.310 -0.955 1.00 29.26 N ATOM 1306 CZ ARG A 88 22.916 14.247 -1.701 1.00 28.98 C ATOM 1307 NH1 ARG A 88 23.847 13.382 -2.094 1.00 31.13 N ATOM 1308 NH2 ARG A 88 21.656 14.058 -2.124 1.00 26.66 N ATOM 1309 HA ARG A 88 25.795 17.987 1.108 1.00 0.00 H ATOM 1310 HB2 ARG A 88 27.379 17.317 -1.413 1.00 0.00 H ATOM 1311 HB3 ARG A 88 27.099 16.224 -0.038 1.00 0.00 H ATOM 1312 HG2 ARG A 88 24.851 17.276 -1.768 1.00 0.00 H ATOM 1313 HG3 ARG A 88 25.752 15.789 -2.148 1.00 0.00 H ATOM 1314 HD2 ARG A 88 24.393 16.286 0.504 1.00 0.00 H ATOM 1315 HD3 ARG A 88 25.072 14.760 -0.109 1.00 0.00 H ATOM 1316 HE ARG A 88 22.429 15.959 -0.743 1.00 0.00 H ATOM 1317 HH12 ARG A 88 23.582 12.562 -2.676 1.00 0.00 H ATOM 1318 HH11 ARG A 88 24.840 13.526 -1.819 1.00 0.00 H ATOM 1319 HH22 ARG A 88 21.422 13.229 -2.706 1.00 0.00 H ATOM 1320 HH21 ARG A 88 20.914 14.741 -1.869 1.00 0.00 H ATOM 1321 H ARG A 88 25.684 19.236 -1.490 1.00 0.00 H ATOM 1322 N GLY A 89 28.097 18.290 2.089 1.00 27.49 N ATOM 1323 CA GLY A 89 29.400 18.556 2.724 1.00 27.85 C ATOM 1324 C GLY A 89 29.639 19.974 3.144 1.00 33.95 C ATOM 1325 O GLY A 89 30.769 20.294 3.547 1.00 30.30 O ATOM 1326 HA3 GLY A 89 30.181 18.280 2.016 1.00 0.00 H ATOM 1327 HA2 GLY A 89 29.476 17.926 3.610 1.00 0.00 H ATOM 1328 H GLY A 89 27.357 17.807 2.637 1.00 0.00 H ATOM 1329 N LEU A 90 28.593 20.825 3.086 1.00 27.26 N ATOM 1330 CA LEU A 90 28.689 22.205 3.496 1.00 30.43 C ATOM 1331 C LEU A 90 28.163 22.446 4.885 1.00 29.27 C ATOM 1332 O LEU A 90 28.082 23.587 5.331 1.00 32.50 O ATOM 1333 CB LEU A 90 28.017 23.143 2.517 1.00 29.56 C ATOM 1334 CG LEU A 90 28.416 22.973 1.067 1.00 33.42 C ATOM 1335 CD1 LEU A 90 27.723 24.015 0.196 1.00 34.15 C ATOM 1336 CD2 LEU A 90 29.923 23.050 0.923 1.00 37.09 C ATOM 1337 HA LEU A 90 29.757 22.424 3.506 1.00 0.00 H ATOM 1338 HB2 LEU A 90 26.941 22.988 2.589 1.00 0.00 H ATOM 1339 HB3 LEU A 90 28.256 24.164 2.813 1.00 0.00 H ATOM 1340 HG LEU A 90 28.095 21.988 0.728 1.00 0.00 H ATOM 1341 HD21 LEU A 90 30.271 24.020 1.277 1.00 0.00 H ATOM 1342 HD22 LEU A 90 30.384 22.259 1.514 1.00 0.00 H ATOM 1343 HD23 LEU A 90 30.193 22.926 -0.126 1.00 0.00 H ATOM 1344 HD11 LEU A 90 26.643 23.898 0.282 1.00 0.00 H ATOM 1345 HD12 LEU A 90 28.010 25.013 0.528 1.00 0.00 H ATOM 1346 HD13 LEU A 90 28.023 23.876 -0.843 1.00 0.00 H ATOM 1347 H LEU A 90 27.681 20.472 2.732 1.00 0.00 H ATOM 1348 N GLY A 91 27.838 21.391 5.599 1.00 27.58 N ATOM 1349 CA GLY A 91 27.388 21.614 7.002 1.00 28.08 C ATOM 1350 C GLY A 91 25.870 21.597 7.209 1.00 24.23 C ATOM 1351 O GLY A 91 25.406 21.843 8.308 1.00 25.01 O ATOM 1352 HA3 GLY A 91 27.762 22.585 7.327 1.00 0.00 H ATOM 1353 HA2 GLY A 91 27.823 20.832 7.625 1.00 0.00 H ATOM 1354 H GLY A 91 27.893 20.433 5.198 1.00 0.00 H ATOM 1355 N VAL A 92 25.100 21.339 6.185 1.00 23.81 N ATOM 1356 CA VAL A 92 23.643 21.358 6.352 1.00 23.17 C ATOM 1357 C VAL A 92 23.174 20.215 7.235 1.00 22.03 C ATOM 1358 O VAL A 92 22.326 20.426 8.105 1.00 19.93 O ATOM 1359 CB VAL A 92 22.892 21.292 5.018 1.00 24.26 C ATOM 1360 CG1 VAL A 92 21.355 21.217 5.182 1.00 23.19 C ATOM 1361 CG2 VAL A 92 23.290 22.472 4.168 1.00 23.01 C ATOM 1362 HA VAL A 92 23.414 22.312 6.827 1.00 0.00 H ATOM 1363 HB VAL A 92 23.178 20.363 4.525 1.00 0.00 H ATOM 1364 HG11 VAL A 92 21.095 20.324 5.750 1.00 0.00 H ATOM 1365 HG12 VAL A 92 21.004 22.102 5.713 1.00 0.00 H ATOM 1366 HG13 VAL A 92 20.888 21.173 4.198 1.00 0.00 H ATOM 1367 HG21 VAL A 92 23.034 23.395 4.688 1.00 0.00 H ATOM 1368 HG22 VAL A 92 24.364 22.441 3.986 1.00 0.00 H ATOM 1369 HG23 VAL A 92 22.758 22.429 3.218 1.00 0.00 H ATOM 1370 H VAL A 92 25.518 21.122 5.258 1.00 0.00 H ATOM 1371 N ALA A 93 23.686 19.000 7.048 1.00 23.11 N ATOM 1372 CA ALA A 93 23.243 17.901 7.882 1.00 20.63 C ATOM 1373 C ALA A 93 23.651 18.139 9.323 1.00 20.80 C ATOM 1374 O ALA A 93 22.867 17.859 10.225 1.00 22.29 O ATOM 1375 CB ALA A 93 23.764 16.549 7.356 1.00 22.36 C ATOM 1376 HA ALA A 93 22.155 17.855 7.842 1.00 0.00 H ATOM 1377 HB1 ALA A 93 23.393 16.387 6.344 1.00 0.00 H ATOM 1378 HB2 ALA A 93 24.854 16.560 7.347 1.00 0.00 H ATOM 1379 HB3 ALA A 93 23.412 15.748 8.006 1.00 0.00 H ATOM 1380 H ALA A 93 24.399 18.841 6.308 1.00 0.00 H ATOM 1381 N ARG A 94 24.895 18.573 9.554 1.00 23.19 N ATOM 1382 CA ARG A 94 25.403 18.826 10.873 1.00 23.94 C ATOM 1383 C ARG A 94 24.474 19.836 11.603 1.00 22.03 C ATOM 1384 O ARG A 94 24.076 19.673 12.752 1.00 22.52 O ATOM 1385 CB ARG A 94 26.818 19.337 10.599 1.00 28.13 C ATOM 1386 CG ARG A 94 27.647 19.890 11.696 1.00 33.16 C ATOM 1387 CD ARG A 94 28.997 20.149 11.008 1.00 34.22 C ATOM 1388 NE ARG A 94 29.313 19.056 10.076 1.00 37.38 N ATOM 1389 CZ ARG A 94 29.928 19.204 8.909 1.00 39.18 C ATOM 1390 NH1 ARG A 94 30.152 18.150 8.138 1.00 44.50 N ATOM 1391 NH2 ARG A 94 30.343 20.401 8.506 1.00 43.69 N ATOM 1392 HA ARG A 94 25.431 17.966 11.542 1.00 0.00 H ATOM 1393 HB2 ARG A 94 27.376 18.500 10.178 1.00 0.00 H ATOM 1394 HB3 ARG A 94 26.726 20.124 9.851 1.00 0.00 H ATOM 1395 HG2 ARG A 94 27.220 20.815 12.083 1.00 0.00 H ATOM 1396 HG3 ARG A 94 27.752 19.172 12.509 1.00 0.00 H ATOM 1397 HD2 ARG A 94 29.779 20.215 11.764 1.00 0.00 H ATOM 1398 HD3 ARG A 94 28.946 21.088 10.457 1.00 0.00 H ATOM 1399 HE ARG A 94 29.033 18.093 10.353 1.00 0.00 H ATOM 1400 HH12 ARG A 94 30.634 18.267 7.224 1.00 0.00 H ATOM 1401 HH11 ARG A 94 29.846 17.205 8.447 1.00 0.00 H ATOM 1402 HH22 ARG A 94 30.824 20.503 7.589 1.00 0.00 H ATOM 1403 HH21 ARG A 94 30.187 21.235 9.107 1.00 0.00 H ATOM 1404 H ARG A 94 25.523 18.735 8.741 1.00 0.00 H ATOM 1405 N TYR A 95 24.134 20.910 10.897 1.00 21.71 N ATOM 1406 CA TYR A 95 23.206 21.913 11.413 1.00 20.90 C ATOM 1407 C TYR A 95 21.840 21.344 11.772 1.00 20.48 C ATOM 1408 O TYR A 95 21.349 21.561 12.887 1.00 21.45 O ATOM 1409 CB TYR A 95 23.084 23.062 10.398 1.00 21.35 C ATOM 1410 CG TYR A 95 22.029 24.051 10.774 1.00 22.01 C ATOM 1411 CD1 TYR A 95 22.260 25.054 11.687 1.00 24.67 C ATOM 1412 CD2 TYR A 95 20.783 23.981 10.190 1.00 21.33 C ATOM 1413 CE1 TYR A 95 21.229 25.941 12.049 1.00 24.19 C ATOM 1414 CE2 TYR A 95 19.781 24.897 10.510 1.00 22.65 C ATOM 1415 CZ TYR A 95 20.010 25.857 11.439 1.00 25.65 C ATOM 1416 OH TYR A 95 19.036 26.779 11.820 1.00 28.27 O ATOM 1417 HA TYR A 95 23.617 22.290 12.349 1.00 0.00 H ATOM 1418 HB3 TYR A 95 22.838 22.642 9.423 1.00 0.00 H ATOM 1419 HB2 TYR A 95 24.042 23.579 10.338 1.00 0.00 H ATOM 1420 HD2 TYR A 95 20.576 23.195 9.464 1.00 0.00 H ATOM 1421 HE2 TYR A 95 18.813 24.841 10.012 1.00 0.00 H ATOM 1422 HE1 TYR A 95 21.403 26.695 12.816 1.00 0.00 H ATOM 1423 HD1 TYR A 95 23.249 25.162 12.133 1.00 0.00 H ATOM 1424 HH TYR A 95 19.409 27.387 12.506 1.00 0.00 H ATOM 1425 H TYR A 95 24.541 21.040 9.949 1.00 0.00 H ATOM 1426 N LEU A 96 21.245 20.631 10.840 1.00 21.00 N ATOM 1427 CA LEU A 96 19.909 20.100 11.098 1.00 23.06 C ATOM 1428 C LEU A 96 19.918 19.052 12.213 1.00 20.24 C ATOM 1429 O LEU A 96 19.014 19.006 13.019 1.00 21.29 O ATOM 1430 CB LEU A 96 19.322 19.610 9.782 1.00 25.41 C ATOM 1431 CG LEU A 96 17.836 19.409 9.721 1.00 28.10 C ATOM 1432 CD1 LEU A 96 17.006 20.528 10.307 1.00 28.51 C ATOM 1433 CD2 LEU A 96 17.535 19.178 8.267 1.00 27.51 C ATOM 1434 HA LEU A 96 19.256 20.885 11.480 1.00 0.00 H ATOM 1435 HB2 LEU A 96 19.586 20.338 9.015 1.00 0.00 H ATOM 1436 HB3 LEU A 96 19.791 18.654 9.550 1.00 0.00 H ATOM 1437 HG LEU A 96 17.554 18.566 10.352 1.00 0.00 H ATOM 1438 HD21 LEU A 96 17.848 20.048 7.690 1.00 0.00 H ATOM 1439 HD22 LEU A 96 18.076 18.297 7.921 1.00 0.00 H ATOM 1440 HD23 LEU A 96 16.464 19.022 8.139 1.00 0.00 H ATOM 1441 HD11 LEU A 96 17.258 20.653 11.360 1.00 0.00 H ATOM 1442 HD12 LEU A 96 17.215 21.453 9.770 1.00 0.00 H ATOM 1443 HD13 LEU A 96 15.948 20.282 10.212 1.00 0.00 H ATOM 1444 H LEU A 96 21.719 20.448 9.933 1.00 0.00 H ATOM 1445 N ILE A 97 20.970 18.244 12.310 1.00 19.85 N ATOM 1446 CA ILE A 97 21.085 17.273 13.396 1.00 20.89 C ATOM 1447 C ILE A 97 21.128 18.019 14.732 1.00 19.67 C ATOM 1448 O ILE A 97 20.409 17.643 15.676 1.00 19.98 O ATOM 1449 CB ILE A 97 22.252 16.317 13.200 1.00 22.63 C ATOM 1450 CG1 ILE A 97 21.996 15.475 11.959 1.00 24.48 C ATOM 1451 CG2 ILE A 97 22.465 15.490 14.471 1.00 25.38 C ATOM 1452 CD1 ILE A 97 23.215 14.767 11.409 1.00 27.02 C ATOM 1453 HA ILE A 97 20.205 16.630 13.395 1.00 0.00 H ATOM 1454 HB ILE A 97 23.182 16.860 13.033 1.00 0.00 H ATOM 1455 HG12 ILE A 97 21.250 14.721 12.209 1.00 0.00 H ATOM 1456 HG13 ILE A 97 21.603 16.129 11.180 1.00 0.00 H ATOM 1457 HD11 ILE A 97 23.971 15.504 11.138 1.00 0.00 H ATOM 1458 HD12 ILE A 97 23.616 14.095 12.168 1.00 0.00 H ATOM 1459 HD13 ILE A 97 22.933 14.193 10.526 1.00 0.00 H ATOM 1460 HG21 ILE A 97 22.682 16.157 15.305 1.00 0.00 H ATOM 1461 HG22 ILE A 97 21.562 14.918 14.686 1.00 0.00 H ATOM 1462 HG23 ILE A 97 23.302 14.808 14.323 1.00 0.00 H ATOM 1463 H ILE A 97 21.726 18.304 11.599 1.00 0.00 H ATOM 1464 N GLY A 98 21.878 19.108 14.805 1.00 19.58 N ATOM 1465 CA GLY A 98 21.825 19.937 16.004 1.00 20.09 C ATOM 1466 C GLY A 98 20.452 20.504 16.360 1.00 19.65 C ATOM 1467 O GLY A 98 19.991 20.522 17.542 1.00 21.66 O ATOM 1468 HA3 GLY A 98 22.507 20.775 15.862 1.00 0.00 H ATOM 1469 HA2 GLY A 98 22.166 19.332 16.844 1.00 0.00 H ATOM 1470 H GLY A 98 22.500 19.370 14.014 1.00 0.00 H ATOM 1471 N VAL A 99 19.725 20.952 15.322 1.00 19.03 N ATOM 1472 CA VAL A 99 18.375 21.461 15.502 1.00 21.04 C ATOM 1473 C VAL A 99 17.501 20.345 16.054 1.00 20.08 C ATOM 1474 O VAL A 99 16.688 20.533 16.967 1.00 20.35 O ATOM 1475 CB VAL A 99 17.807 22.013 14.174 1.00 21.45 C ATOM 1476 CG1 VAL A 99 16.305 22.303 14.241 1.00 22.63 C ATOM 1477 CG2 VAL A 99 18.565 23.229 13.794 1.00 22.66 C ATOM 1478 HA VAL A 99 18.390 22.290 16.209 1.00 0.00 H ATOM 1479 HB VAL A 99 17.928 21.243 13.412 1.00 0.00 H ATOM 1480 HG11 VAL A 99 15.769 21.383 14.475 1.00 0.00 H ATOM 1481 HG12 VAL A 99 16.114 23.044 15.017 1.00 0.00 H ATOM 1482 HG13 VAL A 99 15.967 22.688 13.279 1.00 0.00 H ATOM 1483 HG21 VAL A 99 18.463 23.979 14.578 1.00 0.00 H ATOM 1484 HG22 VAL A 99 19.617 22.975 13.667 1.00 0.00 H ATOM 1485 HG23 VAL A 99 18.170 23.624 12.858 1.00 0.00 H ATOM 1486 H VAL A 99 20.138 20.934 14.368 1.00 0.00 H ATOM 1487 N MET A 100 17.589 19.145 15.484 1.00 18.09 N ATOM 1488 CA MET A 100 16.765 18.020 15.891 1.00 17.62 C ATOM 1489 C MET A 100 17.109 17.527 17.313 1.00 18.26 C ATOM 1490 O MET A 100 16.216 17.089 18.008 1.00 19.34 O ATOM 1491 CB MET A 100 16.813 16.869 14.881 1.00 19.62 C ATOM 1492 CG MET A 100 16.438 17.228 13.469 1.00 18.83 C ATOM 1493 SD MET A 100 14.726 17.825 13.310 1.00 20.27 S ATOM 1494 CE MET A 100 13.834 16.314 13.535 1.00 20.71 C ATOM 1495 HA MET A 100 15.740 18.390 15.914 1.00 0.00 H ATOM 1496 HB2 MET A 100 17.829 16.475 14.869 1.00 0.00 H ATOM 1497 HB3 MET A 100 16.128 16.093 15.223 1.00 0.00 H ATOM 1498 HG2 MET A 100 16.556 16.343 12.844 1.00 0.00 H ATOM 1499 HG3 MET A 100 17.112 18.011 13.120 1.00 0.00 H ATOM 1500 HE1 MET A 100 14.125 15.603 12.761 1.00 0.00 H ATOM 1501 HE2 MET A 100 14.065 15.900 14.516 1.00 0.00 H ATOM 1502 HE3 MET A 100 12.764 16.511 13.465 1.00 0.00 H ATOM 1503 H MET A 100 18.276 19.007 14.716 1.00 0.00 H ATOM 1504 N GLU A 101 18.359 17.565 17.660 1.00 19.27 N ATOM 1505 CA GLU A 101 18.773 17.276 19.091 1.00 19.02 C ATOM 1506 C GLU A 101 18.096 18.228 20.060 1.00 20.87 C ATOM 1507 O GLU A 101 17.548 17.787 21.059 1.00 20.80 O ATOM 1508 CB GLU A 101 20.296 17.297 19.242 1.00 18.78 C ATOM 1509 CG GLU A 101 20.991 16.132 18.559 1.00 19.49 C ATOM 1510 CD GLU A 101 22.497 16.284 18.534 1.00 23.16 C ATOM 1511 OE1 GLU A 101 23.019 17.395 18.905 1.00 27.95 O ATOM 1512 OE2 GLU A 101 23.223 15.367 18.116 1.00 21.79 O ATOM 1513 HA GLU A 101 18.439 16.269 19.340 1.00 0.00 H ATOM 1514 HB2 GLU A 101 20.673 18.224 18.810 1.00 0.00 H ATOM 1515 HB3 GLU A 101 20.538 17.268 20.304 1.00 0.00 H ATOM 1516 HG2 GLU A 101 20.741 15.215 19.093 1.00 0.00 H ATOM 1517 HG3 GLU A 101 20.630 16.063 17.533 1.00 0.00 H ATOM 1518 H GLU A 101 19.084 17.796 16.951 1.00 0.00 H ATOM 1519 N ASN A 102 18.104 19.490 19.716 1.00 20.91 N ATOM 1520 CA ASN A 102 17.409 20.493 20.562 1.00 22.59 C ATOM 1521 C ASN A 102 15.951 20.239 20.630 1.00 23.51 C ATOM 1522 O ASN A 102 15.338 20.238 21.724 1.00 21.72 O ATOM 1523 CB ASN A 102 17.676 21.896 20.074 1.00 24.10 C ATOM 1524 CG ASN A 102 19.071 22.339 20.385 1.00 32.24 C ATOM 1525 OD1 ASN A 102 19.712 21.810 21.324 1.00 40.45 O ATOM 1526 ND2 ASN A 102 19.562 23.320 19.655 1.00 38.12 N ATOM 1527 HA ASN A 102 17.812 20.395 21.570 1.00 0.00 H ATOM 1528 HB2 ASN A 102 17.528 21.928 18.995 1.00 0.00 H ATOM 1529 HB3 ASN A 102 16.974 22.577 20.556 1.00 0.00 H ATOM 1530 HD22 ASN A 102 18.995 23.730 18.885 1.00 0.00 H ATOM 1531 HD21 ASN A 102 20.517 23.685 19.848 1.00 0.00 H ATOM 1532 H ASN A 102 18.597 19.791 18.851 1.00 0.00 H ATOM 1533 N LEU A 103 15.294 19.921 19.509 1.00 20.27 N ATOM 1534 CA LEU A 103 13.877 19.698 19.511 1.00 23.98 C ATOM 1535 C LEU A 103 13.545 18.428 20.381 1.00 23.21 C ATOM 1536 O LEU A 103 12.594 18.376 21.112 1.00 23.12 O ATOM 1537 CB LEU A 103 13.425 19.415 18.080 1.00 24.55 C ATOM 1538 CG LEU A 103 11.992 19.018 17.855 1.00 24.12 C ATOM 1539 CD1 LEU A 103 11.071 20.186 18.240 1.00 27.06 C ATOM 1540 CD2 LEU A 103 11.712 18.709 16.400 1.00 24.46 C ATOM 1541 HA LEU A 103 13.372 20.575 19.916 1.00 0.00 H ATOM 1542 HB2 LEU A 103 13.606 20.319 17.498 1.00 0.00 H ATOM 1543 HB3 LEU A 103 14.049 18.607 17.697 1.00 0.00 H ATOM 1544 HG LEU A 103 11.810 18.131 18.462 1.00 0.00 H ATOM 1545 HD21 LEU A 103 11.921 19.592 15.796 1.00 0.00 H ATOM 1546 HD22 LEU A 103 12.349 17.886 16.075 1.00 0.00 H ATOM 1547 HD23 LEU A 103 10.665 18.427 16.285 1.00 0.00 H ATOM 1548 HD11 LEU A 103 11.220 20.433 19.291 1.00 0.00 H ATOM 1549 HD12 LEU A 103 11.310 21.053 17.624 1.00 0.00 H ATOM 1550 HD13 LEU A 103 10.033 19.897 18.077 1.00 0.00 H ATOM 1551 H LEU A 103 15.822 19.834 18.617 1.00 0.00 H ATOM 1552 N ALA A 104 14.402 17.393 20.259 1.00 20.70 N ATOM 1553 CA ALA A 104 14.195 16.176 21.037 1.00 21.60 C ATOM 1554 C ALA A 104 14.304 16.486 22.550 1.00 21.27 C ATOM 1555 O ALA A 104 13.491 16.010 23.311 1.00 21.74 O ATOM 1556 CB ALA A 104 15.220 15.125 20.682 1.00 21.49 C ATOM 1557 HA ALA A 104 13.200 15.798 20.804 1.00 0.00 H ATOM 1558 HB1 ALA A 104 15.137 14.882 19.623 1.00 0.00 H ATOM 1559 HB2 ALA A 104 16.219 15.508 20.891 1.00 0.00 H ATOM 1560 HB3 ALA A 104 15.041 14.229 21.277 1.00 0.00 H ATOM 1561 H ALA A 104 15.211 17.463 19.610 1.00 0.00 H ATOM 1562 N ARG A 105 15.288 17.239 22.915 1.00 22.09 N ATOM 1563 CA ARG A 105 15.474 17.615 24.352 1.00 27.95 C ATOM 1564 C ARG A 105 14.322 18.472 24.841 1.00 31.53 C ATOM 1565 O ARG A 105 13.729 18.222 25.903 1.00 31.19 O ATOM 1566 CB ARG A 105 16.718 18.446 24.490 1.00 31.69 C ATOM 1567 CG ARG A 105 17.995 17.746 24.706 1.00 38.85 C ATOM 1568 CD ARG A 105 19.051 18.730 25.245 1.00 44.83 C ATOM 1569 NE ARG A 105 19.413 19.727 24.245 1.00 41.95 N ATOM 1570 CZ ARG A 105 20.264 19.511 23.232 1.00 48.64 C ATOM 1571 HA ARG A 105 15.533 16.694 24.932 1.00 0.00 H ATOM 1572 HB2 ARG A 105 16.820 19.032 23.577 1.00 0.00 H ATOM 1573 HB3 ARG A 105 16.568 19.117 25.336 1.00 0.00 H ATOM 1574 HG2 ARG A 105 17.849 16.942 25.427 1.00 0.00 H ATOM 1575 HG3 ARG A 105 18.341 17.326 23.761 1.00 0.00 H ATOM 1576 HD2 ARG A 105 19.943 18.172 25.528 1.00 0.00 H ATOM 1577 HD3 ARG A 105 18.648 19.237 26.121 1.00 0.00 H ATOM 1578 HE ARG A 105 18.982 20.670 24.323 1.00 0.00 H ATOM 1579 H ARG A 105 15.959 17.588 22.202 1.00 0.00 H ATOM 1580 N GLU A 106 14.020 19.509 24.071 1.00 30.13 N ATOM 1581 CA GLU A 106 13.062 20.540 24.543 1.00 32.97 C ATOM 1582 C GLU A 106 11.607 20.092 24.460 1.00 33.08 C ATOM 1583 O GLU A 106 10.841 20.234 25.445 1.00 38.05 O ATOM 1584 CB GLU A 106 13.255 21.873 23.794 1.00 34.42 C ATOM 1585 CG GLU A 106 14.641 22.491 23.928 1.00 37.50 C ATOM 1586 CD GLU A 106 15.085 22.809 25.365 1.00 40.98 C ATOM 1587 OE1 GLU A 106 14.238 23.157 26.217 1.00 41.14 O ATOM 1588 OE2 GLU A 106 16.311 22.737 25.636 1.00 45.20 O ATOM 1589 HA GLU A 106 13.288 20.692 25.598 1.00 0.00 H ATOM 1590 HB2 GLU A 106 13.063 21.697 22.735 1.00 0.00 H ATOM 1591 HB3 GLU A 106 12.527 22.587 24.180 1.00 0.00 H ATOM 1592 HG2 GLU A 106 15.362 21.796 23.499 1.00 0.00 H ATOM 1593 HG3 GLU A 106 14.651 23.421 23.359 1.00 0.00 H ATOM 1594 H GLU A 106 14.457 19.600 23.132 1.00 0.00 H ATOM 1595 N GLN A 107 11.188 19.538 23.339 1.00 28.63 N ATOM 1596 CA GLN A 107 9.846 19.100 23.175 1.00 31.14 C ATOM 1597 C GLN A 107 9.532 17.677 23.695 1.00 31.04 C ATOM 1598 O GLN A 107 8.423 17.395 24.141 1.00 33.57 O ATOM 1599 CB GLN A 107 9.446 19.245 21.699 1.00 38.61 C ATOM 1600 CG GLN A 107 8.150 18.543 21.371 1.00 46.28 C ATOM 1601 CD GLN A 107 7.423 19.122 20.169 1.00 64.32 C ATOM 1602 OE1 GLN A 107 7.809 20.158 19.598 1.00 63.12 O ATOM 1603 NE2 GLN A 107 6.335 18.455 19.789 1.00 73.80 N ATOM 1604 HA GLN A 107 9.244 19.747 23.813 1.00 0.00 H ATOM 1605 HB2 GLN A 107 9.335 20.305 21.471 1.00 0.00 H ATOM 1606 HB3 GLN A 107 10.238 18.822 21.080 1.00 0.00 H ATOM 1607 HG2 GLN A 107 8.369 17.495 21.168 1.00 0.00 H ATOM 1608 HG3 GLN A 107 7.492 18.614 22.237 1.00 0.00 H ATOM 1609 HE22 GLN A 107 6.050 17.593 20.296 1.00 0.00 H ATOM 1610 HE21 GLN A 107 5.770 18.796 18.985 1.00 0.00 H ATOM 1611 H GLN A 107 11.858 19.418 22.553 1.00 0.00 H ATOM 1612 N TYR A 108 10.479 16.731 23.623 1.00 23.18 N ATOM 1613 CA TYR A 108 10.158 15.372 24.028 1.00 22.39 C ATOM 1614 C TYR A 108 10.886 14.981 25.311 1.00 21.42 C ATOM 1615 O TYR A 108 10.726 13.828 25.726 1.00 25.11 O ATOM 1616 CB TYR A 108 10.593 14.357 22.919 1.00 22.66 C ATOM 1617 CG TYR A 108 9.733 14.528 21.682 1.00 26.69 C ATOM 1618 CD1 TYR A 108 8.510 13.892 21.631 1.00 30.64 C ATOM 1619 CD2 TYR A 108 10.061 15.423 20.697 1.00 27.38 C ATOM 1620 CE1 TYR A 108 7.600 14.102 20.565 1.00 34.90 C ATOM 1621 CE2 TYR A 108 9.195 15.634 19.600 1.00 31.86 C ATOM 1622 CZ TYR A 108 7.966 14.968 19.559 1.00 33.28 C ATOM 1623 OH TYR A 108 7.049 15.192 18.513 1.00 36.66 O ATOM 1624 HA TYR A 108 9.081 15.339 24.190 1.00 0.00 H ATOM 1625 HB3 TYR A 108 10.481 13.341 23.297 1.00 0.00 H ATOM 1626 HB2 TYR A 108 11.637 14.534 22.659 1.00 0.00 H ATOM 1627 HD2 TYR A 108 10.998 15.977 20.760 1.00 0.00 H ATOM 1628 HE2 TYR A 108 9.482 16.309 18.794 1.00 0.00 H ATOM 1629 HE1 TYR A 108 6.637 13.592 20.542 1.00 0.00 H ATOM 1630 HD1 TYR A 108 8.235 13.208 22.434 1.00 0.00 H ATOM 1631 HH TYR A 108 6.792 16.148 18.500 1.00 0.00 H ATOM 1632 H TYR A 108 11.433 16.967 23.281 1.00 0.00 H ATOM 1633 N LYS A 109 11.622 15.895 25.912 1.00 23.00 N ATOM 1634 CA LYS A 109 12.416 15.632 27.135 1.00 23.29 C ATOM 1635 C LYS A 109 13.284 14.390 26.971 1.00 25.30 C ATOM 1636 O LYS A 109 13.537 13.595 27.901 1.00 25.86 O ATOM 1637 CB LYS A 109 11.458 15.537 28.340 1.00 26.20 C ATOM 1638 CG LYS A 109 10.588 16.798 28.505 1.00 25.73 C ATOM 1639 CD LYS A 109 11.449 18.002 28.729 1.00 33.01 C ATOM 1640 CE LYS A 109 10.681 19.227 29.241 1.00 40.76 C ATOM 1641 NZ LYS A 109 10.097 20.003 28.134 1.00 43.84 N ATOM 1642 HA LYS A 109 13.108 16.455 27.314 1.00 0.00 H ATOM 1643 HB2 LYS A 109 10.804 14.677 28.199 1.00 0.00 H ATOM 1644 HB3 LYS A 109 12.048 15.399 29.246 1.00 0.00 H ATOM 1645 HG2 LYS A 109 9.993 16.944 27.603 1.00 0.00 H ATOM 1646 HG3 LYS A 109 9.924 16.667 29.360 1.00 0.00 H ATOM 1647 HD2 LYS A 109 12.215 17.746 29.461 1.00 0.00 H ATOM 1648 HD3 LYS A 109 11.925 18.265 27.784 1.00 0.00 H ATOM 1649 HE2 LYS A 109 11.365 19.866 29.799 1.00 0.00 H ATOM 1650 HE3 LYS A 109 9.880 18.892 29.900 1.00 0.00 H ATOM 1651 HZ1 LYS A 109 10.856 20.331 27.504 1.00 0.00 H ATOM 1652 HZ2 LYS A 109 9.438 19.401 27.600 1.00 0.00 H ATOM 1653 HZ3 LYS A 109 9.586 20.823 28.519 1.00 0.00 H ATOM 1654 H LYS A 109 11.647 16.852 25.506 1.00 0.00 H ATOM 1655 N ALA A 110 13.749 14.169 25.726 1.00 21.32 N ATOM 1656 CA ALA A 110 14.651 13.061 25.460 1.00 20.52 C ATOM 1657 C ALA A 110 16.007 13.175 26.136 1.00 19.69 C ATOM 1658 O ALA A 110 16.639 14.227 26.181 1.00 22.12 O ATOM 1659 CB ALA A 110 14.858 13.006 23.917 1.00 23.10 C ATOM 1660 HA ALA A 110 14.196 12.159 25.868 1.00 0.00 H ATOM 1661 HB1 ALA A 110 13.897 12.848 23.428 1.00 0.00 H ATOM 1662 HB2 ALA A 110 15.290 13.947 23.576 1.00 0.00 H ATOM 1663 HB3 ALA A 110 15.532 12.185 23.671 1.00 0.00 H ATOM 1664 H ALA A 110 13.460 14.797 24.949 1.00 0.00 H ATOM 1665 N ARG A 111 16.500 12.041 26.574 1.00 20.63 N ATOM 1666 CA ARG A 111 17.840 11.881 27.143 1.00 22.38 C ATOM 1667 C ARG A 111 18.848 11.323 26.115 1.00 23.35 C ATOM 1668 O ARG A 111 20.061 11.504 26.289 1.00 23.97 O ATOM 1669 CB ARG A 111 17.855 10.921 28.338 1.00 23.64 C ATOM 1670 CG ARG A 111 17.474 11.608 29.603 1.00 25.43 C ATOM 1671 CD ARG A 111 16.037 11.965 29.715 1.00 22.77 C ATOM 1672 NE ARG A 111 15.716 12.159 31.162 1.00 23.46 N ATOM 1673 CZ ARG A 111 14.595 12.671 31.610 1.00 24.75 C ATOM 1674 NH1 ARG A 111 13.677 13.177 30.794 1.00 25.48 N ATOM 1675 NH2 ARG A 111 14.399 12.683 32.956 1.00 23.83 N ATOM 1676 HA ARG A 111 18.128 12.884 27.457 1.00 0.00 H ATOM 1677 HB2 ARG A 111 17.150 10.111 28.150 1.00 0.00 H ATOM 1678 HB3 ARG A 111 18.858 10.509 28.448 1.00 0.00 H ATOM 1679 HG2 ARG A 111 17.725 10.950 30.435 1.00 0.00 H ATOM 1680 HG3 ARG A 111 18.058 12.525 29.679 1.00 0.00 H ATOM 1681 HD2 ARG A 111 15.424 11.162 29.305 1.00 0.00 H ATOM 1682 HD3 ARG A 111 15.841 12.886 29.166 1.00 0.00 H ATOM 1683 HE ARG A 111 16.430 11.868 31.860 1.00 0.00 H ATOM 1684 HH12 ARG A 111 12.799 13.575 31.183 1.00 0.00 H ATOM 1685 HH11 ARG A 111 13.837 13.175 29.766 1.00 0.00 H ATOM 1686 HH22 ARG A 111 13.523 13.081 33.350 1.00 0.00 H ATOM 1687 HH21 ARG A 111 15.126 12.295 33.591 1.00 0.00 H ATOM 1688 H ARG A 111 15.897 11.196 26.513 1.00 0.00 H ATOM 1689 N LEU A 112 18.304 10.846 24.995 1.00 21.25 N ATOM 1690 CA LEU A 112 19.126 10.123 24.015 1.00 20.32 C ATOM 1691 C LEU A 112 18.551 10.412 22.625 1.00 17.78 C ATOM 1692 O LEU A 112 17.334 10.368 22.465 1.00 18.71 O ATOM 1693 CB LEU A 112 19.000 8.624 24.318 1.00 24.08 C ATOM 1694 CG LEU A 112 19.959 7.644 23.642 1.00 25.32 C ATOM 1695 CD1 LEU A 112 21.296 7.685 24.416 1.00 26.44 C ATOM 1696 CD2 LEU A 112 19.358 6.250 23.682 1.00 27.30 C ATOM 1697 HA LEU A 112 20.172 10.427 24.059 1.00 0.00 H ATOM 1698 HB2 LEU A 112 19.128 8.504 25.394 1.00 0.00 H ATOM 1699 HB3 LEU A 112 17.990 8.326 24.038 1.00 0.00 H ATOM 1700 HG LEU A 112 20.129 7.913 22.600 1.00 0.00 H ATOM 1701 HD21 LEU A 112 19.201 5.953 24.719 1.00 0.00 H ATOM 1702 HD22 LEU A 112 18.404 6.252 23.155 1.00 0.00 H ATOM 1703 HD23 LEU A 112 20.039 5.548 23.201 1.00 0.00 H ATOM 1704 HD11 LEU A 112 21.702 8.696 24.384 1.00 0.00 H ATOM 1705 HD12 LEU A 112 21.124 7.394 25.452 1.00 0.00 H ATOM 1706 HD13 LEU A 112 22.002 6.994 23.956 1.00 0.00 H ATOM 1707 H LEU A 112 17.290 10.987 24.814 1.00 0.00 H ATOM 1708 N MET A 113 19.450 10.537 21.643 1.00 18.84 N ATOM 1709 CA MET A 113 19.045 10.489 20.214 1.00 18.24 C ATOM 1710 C MET A 113 19.622 9.175 19.649 1.00 17.01 C ATOM 1711 O MET A 113 20.800 8.842 19.857 1.00 18.37 O ATOM 1712 CB MET A 113 19.622 11.644 19.455 1.00 20.45 C ATOM 1713 CG MET A 113 19.161 11.684 17.994 1.00 22.65 C ATOM 1714 SD MET A 113 17.468 12.233 17.785 1.00 24.03 S ATOM 1715 CE MET A 113 17.830 13.927 17.846 1.00 23.61 C ATOM 1716 HA MET A 113 17.960 10.540 20.121 1.00 0.00 H ATOM 1717 HB2 MET A 113 19.316 12.569 19.943 1.00 0.00 H ATOM 1718 HB3 MET A 113 20.709 11.566 19.476 1.00 0.00 H ATOM 1719 HG2 MET A 113 19.251 10.681 17.577 1.00 0.00 H ATOM 1720 HG3 MET A 113 19.813 12.364 17.446 1.00 0.00 H ATOM 1721 HE1 MET A 113 18.293 14.164 18.804 1.00 0.00 H ATOM 1722 HE2 MET A 113 18.516 14.180 17.037 1.00 0.00 H ATOM 1723 HE3 MET A 113 16.908 14.498 17.735 1.00 0.00 H ATOM 1724 H MET A 113 20.453 10.670 21.884 1.00 0.00 H ATOM 1725 N LYS A 114 18.784 8.442 18.926 1.00 18.64 N ATOM 1726 CA LYS A 114 19.189 7.258 18.206 1.00 17.16 C ATOM 1727 C LYS A 114 19.266 7.622 16.718 1.00 18.73 C ATOM 1728 O LYS A 114 18.385 8.401 16.237 1.00 19.65 O ATOM 1729 CB LYS A 114 18.177 6.184 18.367 1.00 17.32 C ATOM 1730 CG LYS A 114 17.951 5.642 19.796 1.00 20.55 C ATOM 1731 CD LYS A 114 17.084 4.402 19.886 1.00 23.40 C ATOM 1732 CE LYS A 114 16.830 3.996 21.360 1.00 26.09 C ATOM 1733 NZ LYS A 114 16.160 2.707 21.478 1.00 30.65 N ATOM 1734 HA LYS A 114 20.148 6.907 18.588 1.00 0.00 H ATOM 1735 HB2 LYS A 114 17.224 6.573 18.008 1.00 0.00 H ATOM 1736 HB3 LYS A 114 18.484 5.346 17.742 1.00 0.00 H ATOM 1737 HG2 LYS A 114 18.925 5.405 20.225 1.00 0.00 H ATOM 1738 HG3 LYS A 114 17.478 6.428 20.384 1.00 0.00 H ATOM 1739 HD2 LYS A 114 16.128 4.602 19.403 1.00 0.00 H ATOM 1740 HD3 LYS A 114 17.584 3.581 19.373 1.00 0.00 H ATOM 1741 HE2 LYS A 114 16.208 4.758 21.830 1.00 0.00 H ATOM 1742 HE3 LYS A 114 17.788 3.941 21.877 1.00 0.00 H ATOM 1743 HZ1 LYS A 114 15.240 2.750 20.995 1.00 0.00 H ATOM 1744 HZ2 LYS A 114 16.749 1.970 21.040 1.00 0.00 H ATOM 1745 HZ3 LYS A 114 16.015 2.484 22.483 1.00 0.00 H ATOM 1746 H LYS A 114 17.787 8.735 18.876 1.00 0.00 H ATOM 1747 N ILE A 115 20.275 7.074 16.050 1.00 18.94 N ATOM 1748 CA ILE A 115 20.374 7.212 14.581 1.00 18.41 C ATOM 1749 C ILE A 115 20.776 5.833 14.092 1.00 19.12 C ATOM 1750 O ILE A 115 21.778 5.281 14.561 1.00 22.38 O ATOM 1751 CB ILE A 115 21.378 8.270 14.156 1.00 21.39 C ATOM 1752 CG1 ILE A 115 21.014 9.685 14.605 1.00 21.66 C ATOM 1753 CG2 ILE A 115 21.461 8.234 12.612 1.00 23.35 C ATOM 1754 CD1 ILE A 115 21.993 10.800 14.321 1.00 27.29 C ATOM 1755 HA ILE A 115 19.430 7.548 14.151 1.00 0.00 H ATOM 1756 HB ILE A 115 22.330 8.038 14.634 1.00 0.00 H ATOM 1757 HG12 ILE A 115 20.075 9.947 14.117 1.00 0.00 H ATOM 1758 HG13 ILE A 115 20.865 9.653 15.684 1.00 0.00 H ATOM 1759 HD11 ILE A 115 22.941 10.584 14.814 1.00 0.00 H ATOM 1760 HD12 ILE A 115 22.151 10.878 13.245 1.00 0.00 H ATOM 1761 HD13 ILE A 115 21.591 11.740 14.700 1.00 0.00 H ATOM 1762 HG21 ILE A 115 21.788 7.245 12.290 1.00 0.00 H ATOM 1763 HG22 ILE A 115 20.478 8.448 12.192 1.00 0.00 H ATOM 1764 HG23 ILE A 115 22.175 8.983 12.270 1.00 0.00 H ATOM 1765 H ILE A 115 21.004 6.542 16.566 1.00 0.00 H ATOM 1766 N SER A 116 20.119 5.313 13.061 1.00 18.50 N ATOM 1767 CA SER A 116 20.475 4.056 12.379 1.00 18.69 C ATOM 1768 C SER A 116 20.985 4.429 11.005 1.00 18.62 C ATOM 1769 O SER A 116 20.332 5.156 10.261 1.00 20.26 O ATOM 1770 CB SER A 116 19.288 3.168 12.236 1.00 20.67 C ATOM 1771 OG SER A 116 18.909 2.686 13.592 1.00 26.80 O ATOM 1772 HA SER A 116 21.225 3.518 12.958 1.00 0.00 H ATOM 1773 HB2 SER A 116 19.535 2.320 11.597 1.00 0.00 H ATOM 1774 HB3 SER A 116 18.460 3.724 11.796 1.00 0.00 H ATOM 1775 HG SER A 116 18.120 2.092 13.521 1.00 0.00 H ATOM 1776 H SER A 116 19.290 5.833 12.708 1.00 0.00 H ATOM 1777 N CYS A 117 22.166 3.918 10.693 1.00 16.68 N ATOM 1778 CA CYS A 117 22.845 4.293 9.435 1.00 16.78 C ATOM 1779 C CYS A 117 23.276 3.012 8.716 1.00 16.74 C ATOM 1780 O CYS A 117 23.858 2.102 9.272 1.00 17.33 O ATOM 1781 CB CYS A 117 24.083 5.077 9.752 1.00 20.02 C ATOM 1782 SG CYS A 117 24.922 5.748 8.318 1.00 21.95 S ATOM 1783 HA CYS A 117 22.170 4.885 8.817 1.00 0.00 H ATOM 1784 HB2 CYS A 117 24.777 4.421 10.277 1.00 0.00 H ATOM 1785 HB3 CYS A 117 23.805 5.906 10.403 1.00 0.00 H ATOM 1786 HG CYS A 117 25.301 4.716 7.484 1.00 0.00 H ATOM 1787 H CYS A 117 22.621 3.244 11.341 1.00 0.00 H ATOM 1788 N PHE A 118 22.950 2.880 7.429 1.00 16.69 N ATOM 1789 CA PHE A 118 23.340 1.674 6.678 1.00 16.29 C ATOM 1790 C PHE A 118 24.839 1.652 6.422 1.00 14.95 C ATOM 1791 O PHE A 118 25.528 2.686 6.297 1.00 16.83 O ATOM 1792 CB PHE A 118 22.591 1.658 5.334 1.00 16.04 C ATOM 1793 CG PHE A 118 21.131 1.324 5.493 1.00 16.44 C ATOM 1794 CD1 PHE A 118 20.686 0.019 5.714 1.00 18.48 C ATOM 1795 CD2 PHE A 118 20.165 2.319 5.549 1.00 17.52 C ATOM 1796 CE1 PHE A 118 19.357 -0.245 5.962 1.00 19.40 C ATOM 1797 CE2 PHE A 118 18.842 2.038 5.767 1.00 18.61 C ATOM 1798 CZ PHE A 118 18.421 0.788 5.935 1.00 18.76 C ATOM 1799 HA PHE A 118 23.081 0.795 7.267 1.00 0.00 H ATOM 1800 HB2 PHE A 118 22.677 2.642 4.874 1.00 0.00 H ATOM 1801 HB3 PHE A 118 23.052 0.913 4.685 1.00 0.00 H ATOM 1802 HD2 PHE A 118 20.469 3.357 5.415 1.00 0.00 H ATOM 1803 HE2 PHE A 118 18.121 2.855 5.803 1.00 0.00 H ATOM 1804 HZ PHE A 118 17.358 0.574 6.050 1.00 0.00 H ATOM 1805 HE1 PHE A 118 19.036 -1.264 6.180 1.00 0.00 H ATOM 1806 HD1 PHE A 118 21.401 -0.803 5.690 1.00 0.00 H ATOM 1807 H PHE A 118 22.416 3.635 6.952 1.00 0.00 H ATOM 1808 N ASN A 119 25.364 0.429 6.365 1.00 16.41 N ATOM 1809 CA ASN A 119 26.782 0.205 6.280 1.00 16.54 C ATOM 1810 C ASN A 119 27.413 0.916 5.096 1.00 15.97 C ATOM 1811 O ASN A 119 28.551 1.411 5.201 1.00 16.45 O ATOM 1812 CB ASN A 119 27.153 -1.287 6.336 1.00 15.57 C ATOM 1813 CG ASN A 119 26.736 -2.037 5.091 1.00 16.89 C ATOM 1814 OD1 ASN A 119 25.578 -2.401 4.969 1.00 18.75 O ATOM 1815 ND2 ASN A 119 27.678 -2.223 4.188 1.00 17.59 N ATOM 1816 HA ASN A 119 27.212 0.657 7.174 1.00 0.00 H ATOM 1817 HB2 ASN A 119 28.233 -1.374 6.451 1.00 0.00 H ATOM 1818 HB3 ASN A 119 26.660 -1.738 7.197 1.00 0.00 H ATOM 1819 HD22 ASN A 119 28.644 -1.882 4.367 1.00 0.00 H ATOM 1820 HD21 ASN A 119 27.455 -2.710 3.297 1.00 0.00 H ATOM 1821 H ASN A 119 24.726 -0.392 6.383 1.00 0.00 H ATOM 1822 N ALA A 120 26.724 0.965 3.955 1.00 16.67 N ATOM 1823 CA ALA A 120 27.384 1.538 2.789 1.00 18.22 C ATOM 1824 C ALA A 120 27.542 3.048 2.823 1.00 20.70 C ATOM 1825 O ALA A 120 28.333 3.631 2.048 1.00 22.83 O ATOM 1826 CB ALA A 120 26.574 1.196 1.572 1.00 21.19 C ATOM 1827 HA ALA A 120 28.389 1.116 2.775 1.00 0.00 H ATOM 1828 HB1 ALA A 120 26.511 0.112 1.472 1.00 0.00 H ATOM 1829 HB2 ALA A 120 25.571 1.611 1.676 1.00 0.00 H ATOM 1830 HB3 ALA A 120 27.053 1.617 0.688 1.00 0.00 H ATOM 1831 H ALA A 120 25.749 0.607 3.899 1.00 0.00 H ATOM 1832 N ASN A 121 26.817 3.701 3.720 1.00 17.88 N ATOM 1833 CA ASN A 121 26.847 5.142 3.779 1.00 19.80 C ATOM 1834 C ASN A 121 28.000 5.629 4.658 1.00 19.22 C ATOM 1835 O ASN A 121 27.862 6.039 5.793 1.00 19.16 O ATOM 1836 CB ASN A 121 25.472 5.587 4.326 1.00 20.40 C ATOM 1837 CG ASN A 121 25.278 7.038 4.261 1.00 27.07 C ATOM 1838 OD1 ASN A 121 26.129 7.808 3.738 1.00 29.15 O ATOM 1839 ND2 ASN A 121 24.165 7.454 4.832 1.00 28.47 N ATOM 1840 HA ASN A 121 27.021 5.577 2.795 1.00 0.00 H ATOM 1841 HB2 ASN A 121 24.691 5.104 3.739 1.00 0.00 H ATOM 1842 HB3 ASN A 121 25.392 5.271 5.366 1.00 0.00 H ATOM 1843 HD22 ASN A 121 23.504 6.766 5.245 1.00 0.00 H ATOM 1844 HD21 ASN A 121 23.948 8.470 4.869 1.00 0.00 H ATOM 1845 H ASN A 121 26.221 3.170 4.387 1.00 0.00 H ATOM 1846 N ALA A 122 29.221 5.568 4.161 1.00 19.00 N ATOM 1847 CA ALA A 122 30.428 5.954 4.905 1.00 20.54 C ATOM 1848 C ALA A 122 30.390 7.405 5.393 1.00 20.28 C ATOM 1849 O ALA A 122 30.777 7.681 6.509 1.00 20.66 O ATOM 1850 CB ALA A 122 31.657 5.705 4.071 1.00 21.61 C ATOM 1851 HA ALA A 122 30.464 5.329 5.797 1.00 0.00 H ATOM 1852 HB1 ALA A 122 31.716 4.646 3.820 1.00 0.00 H ATOM 1853 HB2 ALA A 122 31.599 6.294 3.156 1.00 0.00 H ATOM 1854 HB3 ALA A 122 32.543 5.996 4.636 1.00 0.00 H ATOM 1855 H ALA A 122 29.336 5.227 3.185 1.00 0.00 H ATOM 1856 N ALA A 123 29.909 8.273 4.528 1.00 22.22 N ATOM 1857 CA ALA A 123 29.829 9.728 4.860 1.00 22.99 C ATOM 1858 C ALA A 123 28.918 9.954 6.050 1.00 20.71 C ATOM 1859 O ALA A 123 29.248 10.717 6.935 1.00 23.66 O ATOM 1860 CB ALA A 123 29.359 10.513 3.661 1.00 23.63 C ATOM 1861 HA ALA A 123 30.825 10.080 5.129 1.00 0.00 H ATOM 1862 HB1 ALA A 123 30.061 10.373 2.839 1.00 0.00 H ATOM 1863 HB2 ALA A 123 28.372 10.161 3.362 1.00 0.00 H ATOM 1864 HB3 ALA A 123 29.306 11.571 3.919 1.00 0.00 H ATOM 1865 H ALA A 123 29.580 7.941 3.599 1.00 0.00 H ATOM 1866 N GLY A 124 27.817 9.237 6.071 1.00 20.94 N ATOM 1867 CA GLY A 124 26.918 9.326 7.248 1.00 22.39 C ATOM 1868 C GLY A 124 27.561 8.777 8.492 1.00 20.27 C ATOM 1869 O GLY A 124 27.520 9.404 9.540 1.00 19.65 O ATOM 1870 HA3 GLY A 124 26.010 8.759 7.041 1.00 0.00 H ATOM 1871 HA2 GLY A 124 26.661 10.372 7.417 1.00 0.00 H ATOM 1872 H GLY A 124 27.579 8.615 5.272 1.00 0.00 H ATOM 1873 N LEU A 125 28.184 7.574 8.384 1.00 18.14 N ATOM 1874 CA LEU A 125 28.806 6.987 9.587 1.00 18.66 C ATOM 1875 C LEU A 125 29.828 7.912 10.194 1.00 17.47 C ATOM 1876 O LEU A 125 29.927 8.051 11.433 1.00 20.02 O ATOM 1877 CB LEU A 125 29.398 5.604 9.293 1.00 16.82 C ATOM 1878 CG LEU A 125 28.467 4.496 8.923 1.00 18.99 C ATOM 1879 CD1 LEU A 125 29.266 3.346 8.310 1.00 20.37 C ATOM 1880 CD2 LEU A 125 27.665 3.957 10.088 1.00 21.10 C ATOM 1881 HA LEU A 125 28.017 6.853 10.327 1.00 0.00 H ATOM 1882 HB2 LEU A 125 30.101 5.723 8.469 1.00 0.00 H ATOM 1883 HB3 LEU A 125 29.937 5.288 10.186 1.00 0.00 H ATOM 1884 HG LEU A 125 27.757 4.919 8.212 1.00 0.00 H ATOM 1885 HD21 LEU A 125 28.345 3.569 10.847 1.00 0.00 H ATOM 1886 HD22 LEU A 125 27.062 4.759 10.514 1.00 0.00 H ATOM 1887 HD23 LEU A 125 27.013 3.156 9.739 1.00 0.00 H ATOM 1888 HD11 LEU A 125 29.784 3.700 7.419 1.00 0.00 H ATOM 1889 HD12 LEU A 125 29.994 2.984 9.036 1.00 0.00 H ATOM 1890 HD13 LEU A 125 28.587 2.537 8.040 1.00 0.00 H ATOM 1891 H LEU A 125 28.222 7.077 7.471 1.00 0.00 H ATOM 1892 N LEU A 126 30.631 8.553 9.336 1.00 20.42 N ATOM 1893 CA LEU A 126 31.705 9.447 9.806 1.00 19.77 C ATOM 1894 C LEU A 126 31.165 10.795 10.347 1.00 19.96 C ATOM 1895 O LEU A 126 31.620 11.187 11.383 1.00 21.69 O ATOM 1896 CB LEU A 126 32.672 9.689 8.642 1.00 22.83 C ATOM 1897 CG LEU A 126 33.505 8.438 8.268 1.00 21.72 C ATOM 1898 CD1 LEU A 126 34.270 8.742 6.996 1.00 24.14 C ATOM 1899 CD2 LEU A 126 34.331 7.931 9.374 1.00 21.54 C ATOM 1900 HA LEU A 126 32.215 8.965 10.640 1.00 0.00 H ATOM 1901 HB2 LEU A 126 32.094 9.994 7.769 1.00 0.00 H ATOM 1902 HB3 LEU A 126 33.356 10.490 8.921 1.00 0.00 H ATOM 1903 HG LEU A 126 32.837 7.599 8.073 1.00 0.00 H ATOM 1904 HD21 LEU A 126 35.029 8.706 9.689 1.00 0.00 H ATOM 1905 HD22 LEU A 126 33.688 7.657 10.210 1.00 0.00 H ATOM 1906 HD23 LEU A 126 34.886 7.055 9.039 1.00 0.00 H ATOM 1907 HD11 LEU A 126 33.566 8.977 6.198 1.00 0.00 H ATOM 1908 HD12 LEU A 126 34.928 9.595 7.164 1.00 0.00 H ATOM 1909 HD13 LEU A 126 34.864 7.873 6.714 1.00 0.00 H ATOM 1910 H LEU A 126 30.494 8.417 8.314 1.00 0.00 H ATOM 1911 N LEU A 127 30.112 11.285 9.756 1.00 21.16 N ATOM 1912 CA LEU A 127 29.435 12.515 10.273 1.00 22.17 C ATOM 1913 C LEU A 127 28.857 12.240 11.644 1.00 21.56 C ATOM 1914 O LEU A 127 29.142 12.965 12.592 1.00 22.27 O ATOM 1915 CB LEU A 127 28.378 13.017 9.370 1.00 22.00 C ATOM 1916 CG LEU A 127 27.750 14.297 10.025 1.00 24.76 C ATOM 1917 CD1 LEU A 127 28.717 15.463 10.148 1.00 26.03 C ATOM 1918 CD2 LEU A 127 26.600 14.635 9.193 1.00 27.74 C ATOM 1919 HA LEU A 127 30.193 13.296 10.332 1.00 0.00 H ATOM 1920 HB2 LEU A 127 28.808 13.270 8.401 1.00 0.00 H ATOM 1921 HB3 LEU A 127 27.611 12.254 9.238 1.00 0.00 H ATOM 1922 HG LEU A 127 27.467 14.089 11.057 1.00 0.00 H ATOM 1923 HD21 LEU A 127 26.935 14.831 8.175 1.00 0.00 H ATOM 1924 HD22 LEU A 127 25.897 13.802 9.191 1.00 0.00 H ATOM 1925 HD23 LEU A 127 26.112 15.523 9.594 1.00 0.00 H ATOM 1926 HD11 LEU A 127 29.565 15.167 10.766 1.00 0.00 H ATOM 1927 HD12 LEU A 127 29.070 15.747 9.157 1.00 0.00 H ATOM 1928 HD13 LEU A 127 28.208 16.309 10.610 1.00 0.00 H ATOM 1929 H LEU A 127 29.735 10.812 8.910 1.00 0.00 H ATOM 1930 N TYR A 128 28.129 11.131 11.780 1.00 19.98 N ATOM 1931 CA TYR A 128 27.434 10.937 13.067 1.00 20.04 C ATOM 1932 C TYR A 128 28.535 10.702 14.125 1.00 20.65 C ATOM 1933 O TYR A 128 28.459 11.100 15.305 1.00 20.97 O ATOM 1934 CB TYR A 128 26.401 9.781 13.032 1.00 21.24 C ATOM 1935 CG TYR A 128 25.371 9.912 11.920 1.00 20.98 C ATOM 1936 CD1 TYR A 128 24.658 11.099 11.780 1.00 29.70 C ATOM 1937 CD2 TYR A 128 25.052 8.891 11.078 1.00 22.93 C ATOM 1938 CE1 TYR A 128 23.709 11.235 10.783 1.00 30.03 C ATOM 1939 CE2 TYR A 128 24.139 9.030 10.078 1.00 25.79 C ATOM 1940 CZ TYR A 128 23.463 10.213 9.926 1.00 30.29 C ATOM 1941 OH TYR A 128 22.474 10.374 8.915 1.00 34.63 O ATOM 1942 HA TYR A 128 26.839 11.818 13.308 1.00 0.00 H ATOM 1943 HB3 TYR A 128 25.876 9.760 13.987 1.00 0.00 H ATOM 1944 HB2 TYR A 128 26.939 8.843 12.894 1.00 0.00 H ATOM 1945 HD2 TYR A 128 25.545 7.928 11.209 1.00 0.00 H ATOM 1946 HE2 TYR A 128 23.945 8.201 9.398 1.00 0.00 H ATOM 1947 HE1 TYR A 128 23.156 12.169 10.685 1.00 0.00 H ATOM 1948 HD1 TYR A 128 24.849 11.928 12.461 1.00 0.00 H ATOM 1949 HH TYR A 128 22.886 10.230 8.026 1.00 0.00 H ATOM 1950 H TYR A 128 28.054 10.433 11.012 1.00 0.00 H ATOM 1951 N THR A 129 29.621 9.998 13.793 1.00 20.91 N ATOM 1952 CA THR A 129 30.742 9.817 14.724 1.00 20.79 C ATOM 1953 C THR A 129 31.367 11.144 15.162 1.00 22.38 C ATOM 1954 O THR A 129 31.600 11.371 16.353 1.00 23.55 O ATOM 1955 CB THR A 129 31.844 8.903 14.029 1.00 21.51 C ATOM 1956 OG1 THR A 129 31.267 7.634 13.732 1.00 21.65 O ATOM 1957 CG2 THR A 129 32.982 8.695 14.965 1.00 26.05 C ATOM 1958 HA THR A 129 30.355 9.340 15.624 1.00 0.00 H ATOM 1959 HB THR A 129 32.197 9.387 13.118 1.00 0.00 H ATOM 1960 HG1 THR A 129 30.498 7.757 13.121 1.00 0.00 H ATOM 1961 HG23 THR A 129 33.436 9.657 15.203 1.00 0.00 H ATOM 1962 HG21 THR A 129 32.618 8.227 15.880 1.00 0.00 H ATOM 1963 HG22 THR A 129 33.723 8.049 14.495 1.00 0.00 H ATOM 1964 H THR A 129 29.674 9.566 12.848 1.00 0.00 H ATOM 1965 N GLN A 130 31.564 12.034 14.215 1.00 21.88 N ATOM 1966 CA GLN A 130 32.143 13.413 14.472 1.00 24.36 C ATOM 1967 C GLN A 130 31.221 14.170 15.445 1.00 25.61 C ATOM 1968 O GLN A 130 31.704 14.958 16.303 1.00 26.75 O ATOM 1969 CB GLN A 130 32.228 14.276 13.221 1.00 31.72 C ATOM 1970 CG GLN A 130 33.169 13.960 12.069 1.00 44.70 C ATOM 1971 CD GLN A 130 33.095 15.079 11.005 1.00 43.71 C ATOM 1972 OE1 GLN A 130 33.517 16.208 11.259 1.00 60.27 O ATOM 1973 NE2 GLN A 130 32.540 14.772 9.847 1.00 56.33 N ATOM 1974 HA GLN A 130 33.148 13.250 14.862 1.00 0.00 H ATOM 1975 HB2 GLN A 130 31.224 14.292 12.796 1.00 0.00 H ATOM 1976 HB3 GLN A 130 32.493 15.277 13.562 1.00 0.00 H ATOM 1977 HG2 GLN A 130 34.189 13.886 12.446 1.00 0.00 H ATOM 1978 HG3 GLN A 130 32.880 13.011 11.616 1.00 0.00 H ATOM 1979 HE22 GLN A 130 32.197 13.805 9.675 1.00 0.00 H ATOM 1980 HE21 GLN A 130 32.446 15.497 9.107 1.00 0.00 H ATOM 1981 H GLN A 130 31.310 11.780 13.239 1.00 0.00 H ATOM 1982 N LEU A 131 29.923 13.901 15.378 1.00 23.22 N ATOM 1983 CA LEU A 131 28.940 14.571 16.204 1.00 22.97 C ATOM 1984 C LEU A 131 28.737 13.896 17.517 1.00 22.05 C ATOM 1985 O LEU A 131 27.879 14.325 18.327 1.00 24.59 O ATOM 1986 CB LEU A 131 27.598 14.752 15.446 1.00 23.62 C ATOM 1987 CG LEU A 131 27.714 15.630 14.217 1.00 24.34 C ATOM 1988 CD1 LEU A 131 26.351 15.646 13.590 1.00 23.62 C ATOM 1989 CD2 LEU A 131 28.303 17.018 14.529 1.00 29.86 C ATOM 1990 HA LEU A 131 29.339 15.561 16.424 1.00 0.00 H ATOM 1991 HB2 LEU A 131 27.241 13.770 15.137 1.00 0.00 H ATOM 1992 HB3 LEU A 131 26.875 15.203 16.126 1.00 0.00 H ATOM 1993 HG LEU A 131 28.435 15.232 13.503 1.00 0.00 H ATOM 1994 HD21 LEU A 131 27.662 17.531 15.246 1.00 0.00 H ATOM 1995 HD22 LEU A 131 29.301 16.901 14.951 1.00 0.00 H ATOM 1996 HD23 LEU A 131 28.362 17.601 13.610 1.00 0.00 H ATOM 1997 HD11 LEU A 131 26.064 14.629 13.323 1.00 0.00 H ATOM 1998 HD12 LEU A 131 25.631 16.054 14.299 1.00 0.00 H ATOM 1999 HD13 LEU A 131 26.372 16.267 12.694 1.00 0.00 H ATOM 2000 H LEU A 131 29.598 13.179 14.704 1.00 0.00 H ATOM 2001 N GLY A 132 29.503 12.840 17.802 1.00 21.41 N ATOM 2002 CA GLY A 132 29.486 12.236 19.125 1.00 23.64 C ATOM 2003 C GLY A 132 28.611 11.013 19.270 1.00 24.10 C ATOM 2004 O GLY A 132 28.392 10.548 20.373 1.00 24.86 O ATOM 2005 HA3 GLY A 132 29.134 12.987 19.833 1.00 0.00 H ATOM 2006 HA2 GLY A 132 30.507 11.951 19.377 1.00 0.00 H ATOM 2007 H GLY A 132 30.122 12.443 17.066 1.00 0.00 H ATOM 2008 N TYR A 133 27.999 10.509 18.178 1.00 20.85 N ATOM 2009 CA TYR A 133 27.228 9.278 18.231 1.00 18.65 C ATOM 2010 C TYR A 133 28.225 8.072 18.287 1.00 21.52 C ATOM 2011 O TYR A 133 29.250 8.079 17.623 1.00 23.05 O ATOM 2012 CB TYR A 133 26.339 9.168 16.997 1.00 18.00 C ATOM 2013 CG TYR A 133 25.198 10.213 17.038 1.00 16.79 C ATOM 2014 CD1 TYR A 133 25.432 11.547 16.738 1.00 18.53 C ATOM 2015 CD2 TYR A 133 23.953 9.806 17.452 1.00 18.02 C ATOM 2016 CE1 TYR A 133 24.427 12.489 16.872 1.00 19.71 C ATOM 2017 CE2 TYR A 133 22.896 10.744 17.583 1.00 19.12 C ATOM 2018 CZ TYR A 133 23.196 12.070 17.323 1.00 20.09 C ATOM 2019 OH TYR A 133 22.169 12.969 17.501 1.00 21.89 O ATOM 2020 HA TYR A 133 26.590 9.273 19.115 1.00 0.00 H ATOM 2021 HB3 TYR A 133 25.906 8.169 16.958 1.00 0.00 H ATOM 2022 HB2 TYR A 133 26.944 9.336 16.106 1.00 0.00 H ATOM 2023 HD2 TYR A 133 23.776 8.755 17.681 1.00 0.00 H ATOM 2024 HE2 TYR A 133 21.893 10.434 17.875 1.00 0.00 H ATOM 2025 HE1 TYR A 133 24.606 13.536 16.627 1.00 0.00 H ATOM 2026 HD1 TYR A 133 26.418 11.857 16.393 1.00 0.00 H ATOM 2027 HH TYR A 133 22.490 13.881 17.289 1.00 0.00 H ATOM 2028 H TYR A 133 28.081 11.015 17.273 1.00 0.00 H ATOM 2029 N GLN A 134 27.849 7.100 19.079 1.00 20.13 N ATOM 2030 CA GLN A 134 28.633 5.856 19.282 1.00 21.32 C ATOM 2031 C GLN A 134 27.812 4.673 18.769 1.00 19.50 C ATOM 2032 O GLN A 134 26.643 4.596 18.872 1.00 18.36 O ATOM 2033 CB GLN A 134 28.977 5.615 20.711 1.00 23.59 C ATOM 2034 CG GLN A 134 30.029 6.564 21.234 1.00 31.85 C ATOM 2035 CD GLN A 134 30.347 6.239 22.673 1.00 41.36 C ATOM 2036 OE1 GLN A 134 30.901 5.174 22.986 1.00 56.22 O ATOM 2037 NE2 GLN A 134 29.969 7.121 23.563 1.00 41.91 N ATOM 2038 HA GLN A 134 29.570 5.966 18.735 1.00 0.00 H ATOM 2039 HB2 GLN A 134 28.074 5.733 21.310 1.00 0.00 H ATOM 2040 HB3 GLN A 134 29.348 4.595 20.812 1.00 0.00 H ATOM 2041 HG2 GLN A 134 30.933 6.468 20.633 1.00 0.00 H ATOM 2042 HG3 GLN A 134 29.658 7.587 21.168 1.00 0.00 H ATOM 2043 HE22 GLN A 134 29.508 8.002 23.259 1.00 0.00 H ATOM 2044 HE21 GLN A 134 30.130 6.941 24.575 1.00 0.00 H ATOM 2045 H GLN A 134 26.952 7.205 19.594 1.00 0.00 H ATOM 2046 N PRO A 135 28.487 3.668 18.159 1.00 19.00 N ATOM 2047 CA PRO A 135 27.802 2.484 17.734 1.00 18.55 C ATOM 2048 C PRO A 135 27.396 1.571 18.846 1.00 19.69 C ATOM 2049 O PRO A 135 28.226 1.341 19.752 1.00 23.30 O ATOM 2050 CB PRO A 135 28.780 1.821 16.775 1.00 20.66 C ATOM 2051 CG PRO A 135 30.112 2.226 17.282 1.00 21.16 C ATOM 2052 CD PRO A 135 29.939 3.625 17.839 1.00 22.21 C ATOM 2053 HA PRO A 135 26.846 2.731 17.272 1.00 0.00 H ATOM 2054 HD3 PRO A 135 30.544 3.771 18.734 1.00 0.00 H ATOM 2055 HD2 PRO A 135 30.202 4.380 17.098 1.00 0.00 H ATOM 2056 HG3 PRO A 135 30.841 2.228 16.472 1.00 0.00 H ATOM 2057 HG2 PRO A 135 30.443 1.544 18.065 1.00 0.00 H ATOM 2058 HB2 PRO A 135 28.670 0.737 16.798 1.00 0.00 H ATOM 2059 HB3 PRO A 135 28.628 2.179 15.757 1.00 0.00 H ATOM 2060 N ARG A 136 26.203 1.090 18.837 1.00 19.03 N ATOM 2061 CA ARG A 136 25.671 0.212 19.878 1.00 20.61 C ATOM 2062 C ARG A 136 25.364 -1.189 19.407 1.00 21.10 C ATOM 2063 O ARG A 136 25.633 -2.167 20.167 1.00 24.22 O ATOM 2064 CB ARG A 136 24.449 0.867 20.475 1.00 22.49 C ATOM 2065 CG ARG A 136 24.746 2.198 21.129 1.00 27.60 C ATOM 2066 CD ARG A 136 25.652 2.053 22.346 1.00 28.17 C ATOM 2067 NE ARG A 136 26.019 3.335 22.933 1.00 31.21 N ATOM 2068 CZ ARG A 136 26.971 3.537 23.846 1.00 37.54 C ATOM 2069 NH1 ARG A 136 27.668 2.504 24.338 1.00 36.87 N ATOM 2070 NH2 ARG A 136 27.206 4.776 24.288 1.00 34.46 N ATOM 2071 HA ARG A 136 26.449 0.085 20.631 1.00 0.00 H ATOM 2072 HB2 ARG A 136 23.718 1.026 19.682 1.00 0.00 H ATOM 2073 HB3 ARG A 136 24.029 0.198 21.226 1.00 0.00 H ATOM 2074 HG2 ARG A 136 25.236 2.845 20.402 1.00 0.00 H ATOM 2075 HG3 ARG A 136 23.806 2.652 21.443 1.00 0.00 H ATOM 2076 HD2 ARG A 136 26.562 1.535 22.043 1.00 0.00 H ATOM 2077 HD3 ARG A 136 25.132 1.461 23.099 1.00 0.00 H ATOM 2078 HE ARG A 136 25.490 4.170 22.610 1.00 0.00 H ATOM 2079 HH12 ARG A 136 28.409 2.668 25.049 1.00 0.00 H ATOM 2080 HH11 ARG A 136 27.468 1.538 24.009 1.00 0.00 H ATOM 2081 HH22 ARG A 136 27.946 4.943 24.999 1.00 0.00 H ATOM 2082 HH21 ARG A 136 26.649 5.574 23.921 1.00 0.00 H ATOM 2083 H ARG A 136 25.580 1.340 18.043 1.00 0.00 H ATOM 2084 N ALA A 137 24.875 -1.380 18.148 1.00 18.25 N ATOM 2085 CA ALA A 137 24.534 -2.689 17.696 1.00 18.97 C ATOM 2086 C ALA A 137 24.498 -2.636 16.174 1.00 20.30 C ATOM 2087 O ALA A 137 24.441 -1.574 15.589 1.00 19.56 O ATOM 2088 CB ALA A 137 23.172 -3.149 18.201 1.00 21.60 C ATOM 2089 HA ALA A 137 25.271 -3.396 18.077 1.00 0.00 H ATOM 2090 HB1 ALA A 137 23.175 -3.162 19.291 1.00 0.00 H ATOM 2091 HB2 ALA A 137 22.404 -2.462 17.847 1.00 0.00 H ATOM 2092 HB3 ALA A 137 22.966 -4.151 17.825 1.00 0.00 H ATOM 2093 H ALA A 137 24.750 -0.566 17.513 1.00 0.00 H ATOM 2094 N ILE A 138 24.535 -3.812 15.588 1.00 19.27 N ATOM 2095 CA ILE A 138 24.400 -3.991 14.111 1.00 18.79 C ATOM 2096 C ILE A 138 23.294 -4.979 13.880 1.00 20.20 C ATOM 2097 O ILE A 138 23.309 -6.113 14.419 1.00 20.96 O ATOM 2098 CB ILE A 138 25.722 -4.505 13.524 1.00 18.08 C ATOM 2099 CG1 ILE A 138 26.874 -3.558 13.807 1.00 19.21 C ATOM 2100 CG2 ILE A 138 25.487 -4.712 12.043 1.00 19.98 C ATOM 2101 CD1 ILE A 138 28.212 -3.908 13.265 1.00 20.01 C ATOM 2102 HA ILE A 138 24.168 -3.045 13.621 1.00 0.00 H ATOM 2103 HB ILE A 138 26.016 -5.444 13.992 1.00 0.00 H ATOM 2104 HG12 ILE A 138 26.602 -2.585 13.398 1.00 0.00 H ATOM 2105 HG13 ILE A 138 26.972 -3.481 14.890 1.00 0.00 H ATOM 2106 HD11 ILE A 138 28.527 -4.869 13.672 1.00 0.00 H ATOM 2107 HD12 ILE A 138 28.157 -3.972 12.178 1.00 0.00 H ATOM 2108 HD13 ILE A 138 28.930 -3.139 13.549 1.00 0.00 H ATOM 2109 HG21 ILE A 138 24.689 -5.441 11.901 1.00 0.00 H ATOM 2110 HG22 ILE A 138 25.201 -3.765 11.586 1.00 0.00 H ATOM 2111 HG23 ILE A 138 26.403 -5.079 11.579 1.00 0.00 H ATOM 2112 H ILE A 138 24.664 -4.657 16.180 1.00 0.00 H ATOM 2113 N ALA A 139 22.344 -4.608 12.998 1.00 18.47 N ATOM 2114 CA ALA A 139 21.189 -5.423 12.720 1.00 20.06 C ATOM 2115 C ALA A 139 21.264 -5.843 11.263 1.00 21.33 C ATOM 2116 O ALA A 139 21.668 -5.064 10.409 1.00 22.02 O ATOM 2117 CB ALA A 139 19.885 -4.660 12.973 1.00 24.80 C ATOM 2118 HA ALA A 139 21.189 -6.289 13.382 1.00 0.00 H ATOM 2119 HB1 ALA A 139 19.844 -4.349 14.017 1.00 0.00 H ATOM 2120 HB2 ALA A 139 19.849 -3.781 12.329 1.00 0.00 H ATOM 2121 HB3 ALA A 139 19.037 -5.309 12.752 1.00 0.00 H ATOM 2122 H ALA A 139 22.449 -3.701 12.500 1.00 0.00 H ATOM 2123 N GLU A 140 20.801 -7.053 10.969 1.00 22.25 N ATOM 2124 CA GLU A 140 20.679 -7.513 9.589 1.00 21.55 C ATOM 2125 C GLU A 140 19.385 -6.935 9.018 1.00 22.61 C ATOM 2126 O GLU A 140 18.296 -7.055 9.610 1.00 25.35 O ATOM 2127 CB GLU A 140 20.631 -9.039 9.527 1.00 25.00 C ATOM 2128 CG GLU A 140 20.489 -9.546 8.106 1.00 28.19 C ATOM 2129 CD GLU A 140 20.165 -11.034 8.033 1.00 38.11 C ATOM 2130 OE1 GLU A 140 18.968 -11.386 8.144 1.00 44.40 O ATOM 2131 OE2 GLU A 140 21.122 -11.817 7.838 1.00 41.40 O ATOM 2132 HA GLU A 140 21.542 -7.181 9.012 1.00 0.00 H ATOM 2133 HB2 GLU A 140 21.552 -9.438 9.953 1.00 0.00 H ATOM 2134 HB3 GLU A 140 19.780 -9.389 10.112 1.00 0.00 H ATOM 2135 HG2 GLU A 140 19.688 -8.992 7.618 1.00 0.00 H ATOM 2136 HG3 GLU A 140 21.426 -9.368 7.578 1.00 0.00 H ATOM 2137 H GLU A 140 20.518 -7.689 11.742 1.00 0.00 H ATOM 2138 N ARG A 141 19.502 -6.326 7.860 1.00 20.46 N ATOM 2139 CA ARG A 141 18.345 -5.901 7.067 1.00 22.74 C ATOM 2140 C ARG A 141 18.571 -6.260 5.579 1.00 18.71 C ATOM 2141 O ARG A 141 19.630 -6.794 5.178 1.00 20.99 O ATOM 2142 CB ARG A 141 18.094 -4.403 7.182 1.00 23.11 C ATOM 2143 CG ARG A 141 17.816 -3.912 8.572 1.00 28.12 C ATOM 2144 CD ARG A 141 16.434 -4.299 9.023 1.00 29.84 C ATOM 2145 NE ARG A 141 16.082 -3.431 10.131 1.00 35.80 N ATOM 2146 CZ ARG A 141 16.261 -3.755 11.405 1.00 35.84 C ATOM 2147 NH1 ARG A 141 16.746 -4.935 11.716 1.00 33.74 N ATOM 2148 NH2 ARG A 141 15.935 -2.880 12.366 1.00 32.48 N ATOM 2149 HA ARG A 141 17.472 -6.424 7.458 1.00 0.00 H ATOM 2150 HB2 ARG A 141 18.976 -3.882 6.809 1.00 0.00 H ATOM 2151 HB3 ARG A 141 17.236 -4.155 6.557 1.00 0.00 H ATOM 2152 HG2 ARG A 141 18.547 -4.345 9.255 1.00 0.00 H ATOM 2153 HG3 ARG A 141 17.904 -2.826 8.589 1.00 0.00 H ATOM 2154 HD2 ARG A 141 16.425 -5.340 9.347 1.00 0.00 H ATOM 2155 HD3 ARG A 141 15.724 -4.168 8.206 1.00 0.00 H ATOM 2156 HE ARG A 141 15.666 -2.503 9.914 1.00 0.00 H ATOM 2157 HH12 ARG A 141 16.888 -5.193 12.714 1.00 0.00 H ATOM 2158 HH11 ARG A 141 16.988 -5.612 10.965 1.00 0.00 H ATOM 2159 HH22 ARG A 141 16.074 -3.130 13.366 1.00 0.00 H ATOM 2160 HH21 ARG A 141 15.543 -1.951 12.112 1.00 0.00 H ATOM 2161 H ARG A 141 20.456 -6.138 7.490 1.00 0.00 H ATOM 2162 N HIS A 142 17.530 -6.049 4.789 1.00 21.42 N ATOM 2163 CA HIS A 142 17.644 -6.308 3.370 1.00 20.79 C ATOM 2164 C HIS A 142 17.318 -5.078 2.520 1.00 20.40 C ATOM 2165 O HIS A 142 16.482 -4.245 2.892 1.00 20.40 O ATOM 2166 CB HIS A 142 16.655 -7.448 2.985 1.00 22.91 C ATOM 2167 CG HIS A 142 17.048 -8.767 3.560 1.00 22.94 C ATOM 2168 ND1 HIS A 142 16.757 -9.108 4.853 1.00 26.31 N ATOM 2169 CD2 HIS A 142 17.759 -9.799 3.046 1.00 28.47 C ATOM 2170 CE1 HIS A 142 17.234 -10.318 5.106 1.00 27.99 C ATOM 2171 NE2 HIS A 142 17.854 -10.753 4.029 1.00 26.80 N ATOM 2172 HA HIS A 142 18.679 -6.588 3.171 1.00 0.00 H ATOM 2173 HB2 HIS A 142 15.662 -7.188 3.353 1.00 0.00 H ATOM 2174 HB3 HIS A 142 16.627 -7.535 1.899 1.00 0.00 H ATOM 2175 HD2 HIS A 142 18.177 -9.861 2.041 1.00 0.00 H ATOM 2176 HE1 HIS A 142 17.131 -10.861 6.046 1.00 0.00 H ATOM 2177 H HIS A 142 16.635 -5.699 5.186 1.00 0.00 H ATOM 2178 N ASP A 143 18.027 -4.985 1.419 1.00 21.10 N ATOM 2179 CA ASP A 143 17.843 -3.876 0.464 1.00 21.50 C ATOM 2180 C ASP A 143 16.796 -4.273 -0.575 1.00 22.68 C ATOM 2181 O ASP A 143 16.183 -5.348 -0.492 1.00 21.65 O ATOM 2182 CB ASP A 143 19.161 -3.411 -0.082 1.00 20.16 C ATOM 2183 CG ASP A 143 19.791 -4.323 -1.165 1.00 21.19 C ATOM 2184 OD1 ASP A 143 19.064 -5.274 -1.619 1.00 20.86 O ATOM 2185 OD2 ASP A 143 21.003 -4.138 -1.437 1.00 24.25 O ATOM 2186 HA ASP A 143 17.443 -2.993 0.963 1.00 0.00 H ATOM 2187 HB2 ASP A 143 19.015 -2.423 -0.518 1.00 0.00 H ATOM 2188 HB3 ASP A 143 19.863 -3.340 0.749 1.00 0.00 H ATOM 2189 H ASP A 143 18.739 -5.715 1.214 1.00 0.00 H ATOM 2190 N PRO A 144 16.517 -3.379 -1.525 1.00 21.58 N ATOM 2191 CA PRO A 144 15.399 -3.655 -2.457 1.00 23.01 C ATOM 2192 C PRO A 144 15.657 -4.827 -3.375 1.00 25.73 C ATOM 2193 O PRO A 144 14.668 -5.403 -3.896 1.00 26.61 O ATOM 2194 CB PRO A 144 15.331 -2.340 -3.232 1.00 26.00 C ATOM 2195 CG PRO A 144 15.712 -1.314 -2.195 1.00 24.95 C ATOM 2196 CD PRO A 144 16.892 -1.959 -1.507 1.00 23.31 C ATOM 2197 HA PRO A 144 14.477 -3.939 -1.949 1.00 0.00 H ATOM 2198 HD3 PRO A 144 17.816 -1.786 -2.059 1.00 0.00 H ATOM 2199 HD2 PRO A 144 17.005 -1.592 -0.487 1.00 0.00 H ATOM 2200 HG3 PRO A 144 14.895 -1.140 -1.495 1.00 0.00 H ATOM 2201 HG2 PRO A 144 15.996 -0.370 -2.661 1.00 0.00 H ATOM 2202 HB2 PRO A 144 16.036 -2.338 -4.063 1.00 0.00 H ATOM 2203 HB3 PRO A 144 14.325 -2.160 -3.611 1.00 0.00 H ATOM 2204 N ASP A 145 16.919 -5.233 -3.511 1.00 22.99 N ATOM 2205 CA ASP A 145 17.266 -6.384 -4.378 1.00 22.67 C ATOM 2206 C ASP A 145 17.272 -7.667 -3.539 1.00 23.29 C ATOM 2207 O ASP A 145 17.722 -8.702 -4.025 1.00 23.91 O ATOM 2208 CB ASP A 145 18.595 -6.192 -5.046 1.00 23.53 C ATOM 2209 CG ASP A 145 18.591 -4.998 -6.000 1.00 30.61 C ATOM 2210 OD1 ASP A 145 17.733 -4.995 -6.905 1.00 35.00 O ATOM 2211 OD2 ASP A 145 19.391 -4.033 -5.759 1.00 37.71 O ATOM 2212 HA ASP A 145 16.515 -6.461 -5.164 1.00 0.00 H ATOM 2213 HB2 ASP A 145 19.353 -6.028 -4.280 1.00 0.00 H ATOM 2214 HB3 ASP A 145 18.839 -7.092 -5.610 1.00 0.00 H ATOM 2215 H ASP A 145 17.674 -4.733 -3.000 1.00 0.00 H ATOM 2216 N GLY A 146 16.876 -7.572 -2.289 1.00 21.28 N ATOM 2217 CA GLY A 146 16.922 -8.721 -1.353 1.00 21.80 C ATOM 2218 C GLY A 146 18.288 -9.070 -0.868 1.00 22.60 C ATOM 2219 O GLY A 146 18.468 -10.184 -0.282 1.00 23.93 O ATOM 2220 HA3 GLY A 146 16.508 -9.592 -1.862 1.00 0.00 H ATOM 2221 HA2 GLY A 146 16.304 -8.480 -0.488 1.00 0.00 H ATOM 2222 H GLY A 146 16.518 -6.658 -1.944 1.00 0.00 H ATOM 2223 N ARG A 147 19.274 -8.173 -1.024 1.00 21.73 N ATOM 2224 CA ARG A 147 20.645 -8.406 -0.550 1.00 20.53 C ATOM 2225 C ARG A 147 20.739 -7.985 0.927 1.00 20.59 C ATOM 2226 O ARG A 147 20.112 -7.021 1.385 1.00 20.26 O ATOM 2227 CB ARG A 147 21.668 -7.709 -1.397 1.00 21.05 C ATOM 2228 CG ARG A 147 21.708 -8.183 -2.853 1.00 22.43 C ATOM 2229 CD ARG A 147 22.873 -7.584 -3.631 1.00 24.41 C ATOM 2230 NE ARG A 147 22.927 -8.151 -4.972 1.00 25.02 N ATOM 2231 CZ ARG A 147 22.437 -7.593 -6.062 1.00 26.92 C ATOM 2232 NH1 ARG A 147 21.890 -6.370 -6.032 1.00 29.23 N ATOM 2233 NH2 ARG A 147 22.513 -8.268 -7.195 1.00 26.86 N ATOM 2234 HA ARG A 147 20.870 -9.469 -0.636 1.00 0.00 H ATOM 2235 HB2 ARG A 147 21.447 -6.642 -1.391 1.00 0.00 H ATOM 2236 HB3 ARG A 147 22.650 -7.878 -0.955 1.00 0.00 H ATOM 2237 HG2 ARG A 147 21.801 -9.269 -2.865 1.00 0.00 H ATOM 2238 HG3 ARG A 147 20.777 -7.894 -3.340 1.00 0.00 H ATOM 2239 HD2 ARG A 147 23.805 -7.803 -3.110 1.00 0.00 H ATOM 2240 HD3 ARG A 147 22.742 -6.504 -3.701 1.00 0.00 H ATOM 2241 HE ARG A 147 23.392 -9.075 -5.079 1.00 0.00 H ATOM 2242 HH12 ARG A 147 21.510 -5.949 -6.904 1.00 0.00 H ATOM 2243 HH11 ARG A 147 21.846 -5.842 -5.137 1.00 0.00 H ATOM 2244 HH22 ARG A 147 22.136 -7.856 -8.072 1.00 0.00 H ATOM 2245 HH21 ARG A 147 22.950 -9.212 -7.210 1.00 0.00 H ATOM 2246 H ARG A 147 19.058 -7.274 -1.501 1.00 0.00 H ATOM 2247 N ARG A 148 21.587 -8.687 1.681 1.00 21.01 N ATOM 2248 CA ARG A 148 21.765 -8.405 3.097 1.00 21.14 C ATOM 2249 C ARG A 148 22.641 -7.156 3.291 1.00 20.59 C ATOM 2250 O ARG A 148 23.675 -7.045 2.653 1.00 23.07 O ATOM 2251 CB ARG A 148 22.419 -9.616 3.731 1.00 23.48 C ATOM 2252 CG ARG A 148 21.477 -10.780 3.803 1.00 26.14 C ATOM 2253 CD ARG A 148 22.245 -12.042 4.188 1.00 29.87 C ATOM 2254 NE ARG A 148 22.695 -12.072 5.581 1.00 34.49 N ATOM 2255 CZ ARG A 148 23.982 -12.179 5.994 1.00 35.28 C ATOM 2256 NH1 ARG A 148 24.239 -12.260 7.307 1.00 38.37 N ATOM 2257 NH2 ARG A 148 24.992 -12.211 5.137 1.00 37.36 N ATOM 2258 HA ARG A 148 20.802 -8.207 3.567 1.00 0.00 H ATOM 2259 HB2 ARG A 148 23.288 -9.900 3.137 1.00 0.00 H ATOM 2260 HB3 ARG A 148 22.739 -9.357 4.740 1.00 0.00 H ATOM 2261 HG2 ARG A 148 20.710 -10.580 4.551 1.00 0.00 H ATOM 2262 HG3 ARG A 148 21.005 -10.925 2.831 1.00 0.00 H ATOM 2263 HD2 ARG A 148 23.121 -12.119 3.544 1.00 0.00 H ATOM 2264 HD3 ARG A 148 21.596 -12.902 4.020 1.00 0.00 H ATOM 2265 HE ARG A 148 21.964 -12.005 6.318 1.00 0.00 H ATOM 2266 HH12 ARG A 148 25.221 -12.343 7.641 1.00 0.00 H ATOM 2267 HH11 ARG A 148 23.457 -12.240 7.992 1.00 0.00 H ATOM 2268 HH22 ARG A 148 25.968 -12.294 5.486 1.00 0.00 H ATOM 2269 HH21 ARG A 148 24.809 -12.153 4.115 1.00 0.00 H ATOM 2270 H ARG A 148 22.135 -9.456 1.245 1.00 0.00 H ATOM 2271 N VAL A 149 22.185 -6.260 4.161 1.00 19.97 N ATOM 2272 CA VAL A 149 22.946 -5.045 4.525 1.00 17.20 C ATOM 2273 C VAL A 149 23.016 -5.018 6.060 1.00 17.13 C ATOM 2274 O VAL A 149 22.249 -5.687 6.755 1.00 18.41 O ATOM 2275 CB VAL A 149 22.291 -3.745 4.007 1.00 17.67 C ATOM 2276 CG1 VAL A 149 22.378 -3.751 2.479 1.00 20.84 C ATOM 2277 CG2 VAL A 149 20.886 -3.609 4.534 1.00 20.48 C ATOM 2278 HA VAL A 149 23.933 -5.086 4.064 1.00 0.00 H ATOM 2279 HB VAL A 149 22.818 -2.864 4.373 1.00 0.00 H ATOM 2280 HG11 VAL A 149 23.424 -3.794 2.176 1.00 0.00 H ATOM 2281 HG12 VAL A 149 21.850 -4.621 2.090 1.00 0.00 H ATOM 2282 HG13 VAL A 149 21.922 -2.842 2.087 1.00 0.00 H ATOM 2283 HG21 VAL A 149 20.291 -4.460 4.202 1.00 0.00 H ATOM 2284 HG22 VAL A 149 20.909 -3.582 5.623 1.00 0.00 H ATOM 2285 HG23 VAL A 149 20.445 -2.687 4.156 1.00 0.00 H ATOM 2286 H VAL A 149 21.257 -6.420 4.603 1.00 0.00 H ATOM 2287 N ALA A 150 23.943 -4.235 6.586 1.00 17.33 N ATOM 2288 CA ALA A 150 24.157 -4.136 8.044 1.00 18.08 C ATOM 2289 C ALA A 150 23.708 -2.736 8.455 1.00 17.44 C ATOM 2290 O ALA A 150 24.234 -1.724 7.977 1.00 19.87 O ATOM 2291 CB ALA A 150 25.617 -4.337 8.362 1.00 17.33 C ATOM 2292 HA ALA A 150 23.594 -4.898 8.583 1.00 0.00 H ATOM 2293 HB1 ALA A 150 25.930 -5.323 8.018 1.00 0.00 H ATOM 2294 HB2 ALA A 150 26.206 -3.571 7.858 1.00 0.00 H ATOM 2295 HB3 ALA A 150 25.767 -4.263 9.439 1.00 0.00 H ATOM 2296 H ALA A 150 24.542 -3.669 5.951 1.00 0.00 H ATOM 2297 N LEU A 151 22.710 -2.673 9.313 1.00 17.40 N ATOM 2298 CA LEU A 151 22.212 -1.398 9.853 1.00 17.92 C ATOM 2299 C LEU A 151 22.917 -1.101 11.149 1.00 17.11 C ATOM 2300 O LEU A 151 22.771 -1.865 12.113 1.00 19.59 O ATOM 2301 CB LEU A 151 20.715 -1.431 9.999 1.00 17.98 C ATOM 2302 CG LEU A 151 20.013 -0.173 10.446 1.00 18.73 C ATOM 2303 CD1 LEU A 151 20.207 0.941 9.410 1.00 20.28 C ATOM 2304 CD2 LEU A 151 18.521 -0.453 10.664 1.00 20.32 C ATOM 2305 HA LEU A 151 22.433 -0.587 9.159 1.00 0.00 H ATOM 2306 HB2 LEU A 151 20.302 -1.704 9.028 1.00 0.00 H ATOM 2307 HB3 LEU A 151 20.478 -2.209 10.725 1.00 0.00 H ATOM 2308 HG LEU A 151 20.446 0.157 11.390 1.00 0.00 H ATOM 2309 HD21 LEU A 151 18.077 -0.799 9.730 1.00 0.00 H ATOM 2310 HD22 LEU A 151 18.405 -1.220 11.429 1.00 0.00 H ATOM 2311 HD23 LEU A 151 18.024 0.462 10.986 1.00 0.00 H ATOM 2312 HD11 LEU A 151 21.271 1.148 9.296 1.00 0.00 H ATOM 2313 HD12 LEU A 151 19.793 0.622 8.454 1.00 0.00 H ATOM 2314 HD13 LEU A 151 19.695 1.842 9.747 1.00 0.00 H ATOM 2315 H LEU A 151 22.257 -3.558 9.620 1.00 0.00 H ATOM 2316 N ILE A 152 23.700 -0.037 11.186 1.00 17.99 N ATOM 2317 CA ILE A 152 24.506 0.270 12.364 1.00 17.37 C ATOM 2318 C ILE A 152 23.668 1.229 13.244 1.00 17.52 C ATOM 2319 O ILE A 152 23.386 2.357 12.862 1.00 18.55 O ATOM 2320 CB ILE A 152 25.869 0.851 11.961 1.00 19.42 C ATOM 2321 CG1 ILE A 152 26.597 -0.234 11.063 1.00 25.02 C ATOM 2322 CG2 ILE A 152 26.678 1.285 13.172 1.00 19.38 C ATOM 2323 CD1 ILE A 152 27.841 0.232 10.408 1.00 32.34 C ATOM 2324 HA ILE A 152 24.741 -0.628 12.935 1.00 0.00 H ATOM 2325 HB ILE A 152 25.747 1.766 11.381 1.00 0.00 H ATOM 2326 HG12 ILE A 152 26.846 -1.086 11.696 1.00 0.00 H ATOM 2327 HG13 ILE A 152 25.903 -0.551 10.285 1.00 0.00 H ATOM 2328 HD11 ILE A 152 27.613 1.076 9.757 1.00 0.00 H ATOM 2329 HD12 ILE A 152 28.557 0.541 11.169 1.00 0.00 H ATOM 2330 HD13 ILE A 152 28.265 -0.580 9.817 1.00 0.00 H ATOM 2331 HG21 ILE A 152 26.128 2.050 13.720 1.00 0.00 H ATOM 2332 HG22 ILE A 152 26.850 0.425 13.820 1.00 0.00 H ATOM 2333 HG23 ILE A 152 27.635 1.690 12.842 1.00 0.00 H ATOM 2334 H ILE A 152 23.743 0.594 10.360 1.00 0.00 H ATOM 2335 N GLN A 153 23.312 0.764 14.449 1.00 17.30 N ATOM 2336 CA GLN A 153 22.457 1.476 15.345 1.00 17.68 C ATOM 2337 C GLN A 153 23.362 2.256 16.296 1.00 18.38 C ATOM 2338 O GLN A 153 24.189 1.662 16.967 1.00 20.88 O ATOM 2339 CB GLN A 153 21.547 0.481 16.058 1.00 20.54 C ATOM 2340 CG GLN A 153 20.610 -0.283 15.104 1.00 22.82 C ATOM 2341 CD GLN A 153 19.878 -1.484 15.680 1.00 32.41 C ATOM 2342 OE1 GLN A 153 20.457 -2.366 16.300 1.00 38.82 O ATOM 2343 NE2 GLN A 153 18.627 -1.551 15.393 1.00 36.73 N ATOM 2344 HA GLN A 153 21.801 2.182 14.835 1.00 0.00 H ATOM 2345 HB2 GLN A 153 22.170 -0.242 16.584 1.00 0.00 H ATOM 2346 HB3 GLN A 153 20.937 1.025 16.779 1.00 0.00 H ATOM 2347 HG2 GLN A 153 19.859 0.421 14.745 1.00 0.00 H ATOM 2348 HG3 GLN A 153 21.209 -0.633 14.263 1.00 0.00 H ATOM 2349 HE22 GLN A 153 18.173 -0.779 14.864 1.00 0.00 H ATOM 2350 HE21 GLN A 153 18.069 -2.377 15.690 1.00 0.00 H ATOM 2351 H GLN A 153 23.677 -0.163 14.747 1.00 0.00 H ATOM 2352 N MET A 154 23.288 3.587 16.260 1.00 18.66 N ATOM 2353 CA MET A 154 24.131 4.479 17.030 1.00 18.89 C ATOM 2354 C MET A 154 23.233 5.312 17.976 1.00 18.92 C ATOM 2355 O MET A 154 22.014 5.483 17.765 1.00 20.06 O ATOM 2356 CB MET A 154 24.873 5.463 16.119 1.00 20.31 C ATOM 2357 CG MET A 154 25.550 4.752 14.958 1.00 21.53 C ATOM 2358 SD MET A 154 26.403 5.763 13.769 1.00 22.12 S ATOM 2359 CE MET A 154 27.796 6.269 14.668 1.00 24.95 C ATOM 2360 HA MET A 154 24.854 3.876 17.579 1.00 0.00 H ATOM 2361 HB2 MET A 154 24.159 6.186 15.723 1.00 0.00 H ATOM 2362 HB3 MET A 154 25.630 5.985 16.704 1.00 0.00 H ATOM 2363 HG2 MET A 154 24.782 4.194 14.423 1.00 0.00 H ATOM 2364 HG3 MET A 154 26.276 4.057 15.378 1.00 0.00 H ATOM 2365 HE1 MET A 154 27.476 6.822 15.551 1.00 0.00 H ATOM 2366 HE2 MET A 154 28.367 5.393 14.974 1.00 0.00 H ATOM 2367 HE3 MET A 154 28.418 6.909 14.042 1.00 0.00 H ATOM 2368 H MET A 154 22.575 4.015 15.635 1.00 0.00 H ATOM 2369 N ASP A 155 23.882 5.859 18.994 1.00 19.42 N ATOM 2370 CA ASP A 155 23.150 6.781 19.899 1.00 19.53 C ATOM 2371 C ASP A 155 24.075 7.788 20.539 1.00 20.39 C ATOM 2372 O ASP A 155 25.284 7.696 20.466 1.00 20.56 O ATOM 2373 CB ASP A 155 22.302 6.048 20.927 1.00 19.91 C ATOM 2374 CG ASP A 155 23.099 5.214 21.933 1.00 20.09 C ATOM 2375 OD1 ASP A 155 24.299 5.486 22.095 1.00 21.54 O ATOM 2376 OD2 ASP A 155 22.405 4.328 22.519 1.00 26.61 O ATOM 2377 HA ASP A 155 22.451 7.337 19.274 1.00 0.00 H ATOM 2378 HB2 ASP A 155 21.724 6.788 21.481 1.00 0.00 H ATOM 2379 HB3 ASP A 155 21.623 5.382 20.395 1.00 0.00 H ATOM 2380 H ASP A 155 24.887 5.646 19.156 1.00 0.00 H ATOM 2381 N LYS A 156 23.466 8.821 21.164 1.00 20.18 N ATOM 2382 CA LYS A 156 24.202 9.929 21.768 1.00 21.00 C ATOM 2383 C LYS A 156 23.355 10.490 22.928 1.00 20.91 C ATOM 2384 O LYS A 156 22.178 10.748 22.788 1.00 20.23 O ATOM 2385 CB LYS A 156 24.436 11.057 20.767 1.00 22.09 C ATOM 2386 CG LYS A 156 25.210 12.271 21.290 1.00 27.43 C ATOM 2387 CD LYS A 156 25.053 13.420 20.267 1.00 25.38 C ATOM 2388 CE LYS A 156 25.506 14.770 20.708 1.00 28.91 C ATOM 2389 NZ LYS A 156 25.705 15.567 19.487 1.00 27.10 N ATOM 2390 HA LYS A 156 25.169 9.559 22.109 1.00 0.00 H ATOM 2391 HB2 LYS A 156 24.991 10.645 19.924 1.00 0.00 H ATOM 2392 HB3 LYS A 156 23.462 11.405 20.423 1.00 0.00 H ATOM 2393 HG2 LYS A 156 24.807 12.578 22.255 1.00 0.00 H ATOM 2394 HG3 LYS A 156 26.264 12.017 21.402 1.00 0.00 H ATOM 2395 HD2 LYS A 156 25.624 13.153 19.378 1.00 0.00 H ATOM 2396 HD3 LYS A 156 23.996 13.493 20.010 1.00 0.00 H ATOM 2397 HE2 LYS A 156 26.441 14.691 21.262 1.00 0.00 H ATOM 2398 HE3 LYS A 156 24.749 15.233 21.340 1.00 0.00 H ATOM 2399 HZ1 LYS A 156 26.424 15.111 18.890 1.00 0.00 H ATOM 2400 HZ2 LYS A 156 24.808 15.629 18.965 1.00 0.00 H ATOM 2401 HZ3 LYS A 156 26.023 16.523 19.746 1.00 0.00 H ATOM 2402 H LYS A 156 22.427 8.827 21.217 1.00 0.00 H ATOM 2403 N PRO A 157 23.960 10.649 24.114 1.00 20.67 N ATOM 2404 CA PRO A 157 23.163 11.338 25.156 1.00 21.67 C ATOM 2405 C PRO A 157 23.025 12.808 24.832 1.00 20.04 C ATOM 2406 O PRO A 157 23.936 13.428 24.295 1.00 22.21 O ATOM 2407 CB PRO A 157 24.090 11.205 26.382 1.00 23.46 C ATOM 2408 CG PRO A 157 25.199 10.315 26.026 1.00 29.96 C ATOM 2409 CD PRO A 157 25.332 10.343 24.503 1.00 22.22 C ATOM 2410 HA PRO A 157 22.158 10.934 25.274 1.00 0.00 H ATOM 2411 HD3 PRO A 157 26.025 11.118 24.175 1.00 0.00 H ATOM 2412 HD2 PRO A 157 25.655 9.379 24.110 1.00 0.00 H ATOM 2413 HG3 PRO A 157 24.987 9.301 26.364 1.00 0.00 H ATOM 2414 HG2 PRO A 157 26.122 10.665 26.488 1.00 0.00 H ATOM 2415 HB2 PRO A 157 24.478 12.185 26.659 1.00 0.00 H ATOM 2416 HB3 PRO A 157 23.535 10.785 27.221 1.00 0.00 H ATOM 2417 N LEU A 158 21.897 13.422 25.215 1.00 22.07 N ATOM 2418 CA LEU A 158 21.603 14.818 24.849 1.00 23.59 C ATOM 2419 C LEU A 158 21.898 15.777 26.013 1.00 28.57 C ATOM 2420 O LEU A 158 21.933 15.334 27.174 1.00 25.49 O ATOM 2421 CB LEU A 158 20.143 14.909 24.397 1.00 22.97 C ATOM 2422 CG LEU A 158 19.848 14.107 23.106 1.00 23.11 C ATOM 2423 CD1 LEU A 158 18.416 14.276 22.639 1.00 25.05 C ATOM 2424 CD2 LEU A 158 20.807 14.513 21.989 1.00 26.49 C ATOM 2425 HA LEU A 158 22.252 15.123 24.028 1.00 0.00 H ATOM 2426 HB2 LEU A 158 19.509 14.524 25.196 1.00 0.00 H ATOM 2427 HB3 LEU A 158 19.902 15.956 24.216 1.00 0.00 H ATOM 2428 HG LEU A 158 19.996 13.055 23.348 1.00 0.00 H ATOM 2429 HD21 LEU A 158 20.689 15.576 21.779 1.00 0.00 H ATOM 2430 HD22 LEU A 158 21.832 14.314 22.302 1.00 0.00 H ATOM 2431 HD23 LEU A 158 20.582 13.937 21.091 1.00 0.00 H ATOM 2432 HD11 LEU A 158 17.738 13.926 23.417 1.00 0.00 H ATOM 2433 HD12 LEU A 158 18.224 15.329 22.434 1.00 0.00 H ATOM 2434 HD13 LEU A 158 18.260 13.694 21.731 1.00 0.00 H ATOM 2435 H LEU A 158 21.207 12.896 25.789 1.00 0.00 H ATOM 2436 N GLU A 159 22.132 17.057 25.726 1.00 30.80 N ATOM 2437 CA GLU A 159 22.531 17.974 26.820 1.00 41.12 C ATOM 2438 C GLU A 159 23.281 19.213 26.312 1.00 43.40 C ATOM 2439 O GLU A 159 22.747 20.337 26.339 1.00 44.26 O ATOM 2440 CB GLU A 159 23.340 17.184 27.890 1.00 46.32 C ATOM 2441 CG GLU A 159 24.691 16.618 27.439 1.00 46.13 C ATOM 2442 CD GLU A 159 25.037 15.247 28.034 1.00 48.06 C ATOM 2443 OE1 GLU A 159 26.152 14.742 27.770 1.00 53.45 O ATOM 2444 OE2 GLU A 159 24.210 14.652 28.755 1.00 55.04 O ATOM 2445 HA GLU A 159 21.627 18.364 27.287 1.00 0.00 H ATOM 2446 HB2 GLU A 159 23.524 17.855 28.729 1.00 0.00 H ATOM 2447 HB3 GLU A 159 22.724 16.349 28.222 1.00 0.00 H ATOM 2448 HG2 GLU A 159 24.676 16.524 26.353 1.00 0.00 H ATOM 2449 HG3 GLU A 159 25.470 17.322 27.731 1.00 0.00 H ATOM 2450 H GLU A 159 22.036 17.407 24.751 1.00 0.00 H TER 2451 GLU A 159 HETATM 2452 O HOH 1 24.263 -0.544 3.308 1.00 18.95 O HETATM 2453 O HOH 2 25.485 -5.850 17.484 1.00 23.09 O HETATM 2454 O HOH 3 6.368 14.774 10.729 1.00 22.91 O HETATM 2455 O HOH 4 11.546 3.676 6.248 1.00 21.90 O HETATM 2456 O HOH 5 17.930 6.642 11.787 1.00 24.22 O HETATM 2457 O HOH 6 30.867 6.340 16.246 1.00 22.24 O HETATM 2458 O HOH 7 13.928 3.179 -0.382 1.00 23.08 O HETATM 2459 O HOH 8 2.947 25.505 1.933 1.00 25.42 O HETATM 2460 O HOH 9 9.214 25.924 -0.339 1.00 22.78 O HETATM 2461 O HOH 10 21.622 -4.233 -4.018 1.00 28.34 O HETATM 2462 O HOH 11 22.838 -11.080 0.485 1.00 25.76 O HETATM 2463 O HOH 12 13.149 9.639 31.966 1.00 25.88 O HETATM 2464 O HOH 13 30.968 12.793 6.488 1.00 28.56 O HETATM 2465 O HOH 14 15.082 19.466 -5.228 1.00 28.59 O HETATM 2466 O HOH 15 6.746 26.225 8.962 1.00 27.88 O HETATM 2467 O HOH 16 27.810 8.883 22.568 1.00 29.09 O HETATM 2468 O HOH 17 11.007 25.070 -2.359 1.00 31.42 O HETATM 2469 O HOH 18 30.357 1.995 21.459 1.00 35.30 O HETATM 2470 O HOH 19 5.388 20.879 -2.868 1.00 27.06 O HETATM 2471 O HOH 20 15.250 2.997 -2.903 1.00 28.41 O HETATM 2472 O HOH 21 26.814 -3.046 1.487 1.00 30.15 O HETATM 2473 O HOH 22 15.950 29.518 12.517 1.00 33.30 O HETATM 2474 O HOH 23 11.760 1.124 7.448 1.00 27.40 O HETATM 2475 O HOH 24 24.122 -0.980 0.544 1.00 28.96 O HETATM 2476 O HOH 25 1.434 14.849 5.334 1.00 34.29 O HETATM 2477 O HOH 26 8.762 22.678 -3.409 1.00 28.39 O HETATM 2478 O HOH 27 31.583 9.596 18.520 1.00 33.34 O HETATM 2479 O HOH 28 25.722 20.064 3.694 1.00 30.23 O HETATM 2480 O HOH 29 25.966 7.115 23.510 1.00 30.91 O HETATM 2481 O HOH 30 7.326 6.185 18.395 1.00 40.72 O HETATM 2482 O HOH 31 3.181 12.318 -5.588 1.00 35.43 O HETATM 2483 O HOH 32 5.959 13.862 -6.888 1.00 30.50 O HETATM 2484 O HOH 33 22.630 23.306 14.852 1.00 35.63 O HETATM 2485 O HOH 34 12.114 -5.719 -3.677 1.00 32.58 O HETATM 2486 O HOH 35 25.442 19.635 15.298 1.00 34.61 O HETATM 2487 O HOH 36 21.487 12.752 28.619 1.00 31.68 O HETATM 2488 O HOH 37 20.529 20.888 -5.179 1.00 40.97 O HETATM 2489 O HOH 38 5.674 17.082 11.578 1.00 34.36 O HETATM 2490 O HOH 39 20.144 3.229 17.754 1.00 36.59 O HETATM 2491 O HOH 40 8.926 4.327 7.312 1.00 30.62 O HETATM 2492 O HOH 41 13.871 25.931 -1.905 1.00 33.18 O HETATM 2493 O HOH 42 16.636 23.598 -2.928 1.00 31.65 O HETATM 2494 O HOH 43 -1.219 23.027 3.160 1.00 41.36 O HETATM 2495 O HOH 44 11.571 24.325 13.246 1.00 31.94 O HETATM 2496 O HOH 45 25.799 -5.006 20.107 1.00 32.26 O HETATM 2497 O HOH 46 19.938 -8.803 13.043 1.00 35.65 O HETATM 2498 O HOH 47 1.678 25.917 -0.441 1.00 35.35 O HETATM 2499 O HOH 48 13.505 1.295 -4.253 1.00 35.83 O HETATM 2500 O HOH 49 14.072 2.031 19.412 1.00 37.87 O HETATM 2501 O HOH 50 29.883 1.852 0.201 1.00 39.25 O HETATM 2502 O HOH 51 25.413 9.123 -2.863 1.00 40.20 O HETATM 2503 O HOH 52 18.163 31.245 6.044 1.00 34.72 O HETATM 2504 O HOH 53 25.246 -11.339 2.103 1.00 36.79 O HETATM 2505 O HOH 54 15.299 22.952 17.619 1.00 33.01 O HETATM 2506 O HOH 55 23.776 -4.389 -0.958 1.00 38.02 O HETATM 2507 O HOH 56 26.061 16.619 2.934 1.00 33.53 O HETATM 2508 O HOH 57 28.815 20.653 -2.399 1.00 50.65 O HETATM 2509 O HOH 58 0.349 10.786 0.787 1.00 35.69 O HETATM 2510 O HOH 59 24.080 -15.176 4.496 1.00 39.33 O HETATM 2511 O HOH 60 27.887 -0.448 23.819 1.00 40.03 O HETATM 2512 O HOH 61 5.076 27.235 2.038 1.00 34.80 O HETATM 2513 O HOH 62 22.850 4.070 25.180 1.00 37.93 O HETATM 2514 O HOH 63 21.704 3.591 -6.744 1.00 45.27 O HETATM 2515 O HOH 64 2.473 14.243 11.781 1.00 36.75 O HETATM 2516 O HOH 65 25.077 -5.457 0.883 1.00 35.86 O HETATM 2517 O HOH 66 -0.576 11.973 3.290 1.00 42.30 O HETATM 2518 O HOH 67 3.697 29.421 1.219 1.00 34.70 O HETATM 2519 O HOH 68 10.743 26.474 14.614 1.00 44.43 O HETATM 2520 O HOH 69 20.734 9.792 4.888 1.00 41.57 O HETATM 2521 O HOH 70 25.142 17.907 17.159 1.00 42.52 O HETATM 2522 O HOH 71 20.352 -7.474 -9.526 1.00 45.04 O HETATM 2523 O HOH 72 26.374 18.026 21.161 1.00 47.36 O HETATM 2524 O HOH 73 5.725 9.408 23.706 1.00 40.79 O HETATM 2525 O HOH 74 20.650 32.540 4.383 1.00 41.59 O HETATM 2526 O HOH 75 32.736 18.637 4.310 1.00 32.59 O HETATM 2527 O HOH 76 17.107 21.377 -4.823 1.00 38.17 O HETATM 2528 O HOH 77 15.628 2.335 24.129 1.00 43.99 O HETATM 2529 O HOH 78 19.179 28.491 13.656 1.00 43.03 O HETATM 2530 O HOH 79 24.749 6.878 26.080 1.00 41.03 O HETATM 2531 O HOH 80 7.627 17.597 17.064 1.00 42.00 O HETATM 2532 O HOH 81 6.651 19.598 11.359 1.00 40.09 O HETATM 2533 O HOH 82 19.061 4.757 -9.017 1.00 33.43 O HETATM 2534 O HOH 83 6.290 4.886 0.669 1.00 43.30 O HETATM 2535 O HOH 84 13.016 18.867 -7.552 1.00 40.58 O HETATM 2536 O HOH 85 17.116 7.455 27.310 1.00 34.12 O HETATM 2537 O HOH 86 10.237 21.717 13.436 1.00 39.43 O HETATM 2538 O HOH 87 2.817 12.363 20.274 1.00 55.92 O HETATM 2539 O HOH 88 3.641 23.286 8.522 1.00 47.22 O HETATM 2540 O HOH 89 0.738 8.319 6.436 1.00 44.48 O HETATM 2541 O HOH 90 17.404 24.791 17.756 1.00 50.84 O HETATM 2542 O HOH 91 12.820 23.011 16.321 1.00 40.71 O HETATM 2543 O HOH 92 22.119 -9.533 -10.522 1.00 45.59 O HETATM 2544 O HOH 93 16.329 4.539 26.137 1.00 45.10 O HETATM 2545 O HOH 94 17.687 -1.891 -6.687 1.00 52.32 O HETATM 2546 O HOH 95 11.370 -0.965 5.642 1.00 45.05 O HETATM 2547 O HOH 96 15.776 3.077 16.395 1.00 46.24 O HETATM 2548 O HOH 97 27.033 23.678 10.155 1.00 41.20 O HETATM 2549 O HOH 98 13.313 30.170 7.618 1.00 50.14 O HETATM 2550 O HOH 99 25.808 -8.911 1.715 1.00 45.86 O HETATM 2551 O HOH 100 24.708 -15.558 6.911 1.00 42.53 O HETATM 2552 O HOH 101 17.679 4.347 15.384 1.00 41.97 O HETATM 2553 O HOH 102 16.835 0.963 13.463 1.00 49.47 O HETATM 2554 O HOH 103 11.613 0.577 -7.760 1.00 41.99 O HETATM 2555 O HOH 104 20.731 9.271 1.617 1.00 46.57 O HETATM 2556 O HOH 105 22.358 20.512 19.571 1.00 44.64 O HETATM 2557 O HOH 106 19.702 -4.804 17.162 1.00 46.76 O HETATM 2558 O HOH 107 27.200 4.977 -0.876 1.00 45.44 O HETATM 2559 O HOH 108 20.276 3.006 21.220 1.00 44.45 O HETATM 2560 O HOH 109 9.804 4.497 26.315 1.00 43.02 O HETATM 2561 O HOH 110 13.622 -6.131 10.333 1.00 52.47 O HETATM 2562 O HOH 111 24.428 12.117 -5.653 1.00 53.81 O HETATM 2563 O HOH 112 21.345 28.282 -1.217 1.00 46.86 O HETATM 2564 O HOH 113 21.615 10.383 -10.397 1.00 49.46 O HETATM 2565 O HOH 114 11.256 28.527 12.899 1.00 48.60 O HETATM 2566 O HOH 115 22.935 9.124 0.945 1.00 52.03 O HETATM 2567 O HOH 116 19.537 7.308 -10.811 1.00 48.51 O HETATM 2568 O HOH 117 23.687 -2.829 -4.839 1.00 51.03 O HETATM 2569 O HOH 118 21.086 25.191 16.136 1.00 59.18 O HETATM 2570 O HOH 119 7.898 -0.542 0.726 1.00 41.94 O HETATM 2571 O HOH 120 7.415 5.330 -6.950 1.00 47.02 O HETATM 2572 O HOH 121 12.118 -0.162 -2.598 1.00 50.85 O HETATM 2573 O HOH 122 17.754 0.735 20.598 1.00 41.78 O HETATM 2574 O HOH 123 20.467 -12.358 11.785 1.00 54.17 O HETATM 2575 O HOH 124 2.947 19.477 5.690 1.00 56.81 O HETATM 2576 O HOH 125 14.227 -4.201 -6.916 1.00 55.40 O HETATM 2577 O HOH 126 5.879 19.843 9.143 1.00 54.53 O HETATM 2578 O HOH 127 20.492 -14.137 9.606 1.00 46.84 O HETATM 2579 O HOH 128 23.014 17.719 22.162 1.00 43.05 O HETATM 2580 O HOH 129 7.855 10.410 -8.806 1.00 42.38 O HETATM 2581 O HOH 130 8.682 21.399 15.133 1.00 52.70 O HETATM 2582 O HOH 131 26.323 14.351 4.975 1.00 50.11 O HETATM 2583 O HOH 132 23.083 -7.478 17.417 1.00 55.79 O HETATM 2584 O HOH 133 27.745 14.334 2.475 1.00 58.07 O HETATM 2585 O HOH 134 23.769 10.576 5.917 1.00 58.74 O HETATM 2586 O HOH 135 22.492 7.782 -10.979 1.00 49.40 O HETATM 2587 O HOH 136 25.275 10.593 3.640 1.00 43.14 O HETATM 2588 O HOH 137 -0.530 8.484 9.107 1.00 53.54 O HETATM 2589 O HOH 138 9.128 3.621 19.583 1.00 52.75 O HETATM 2590 O HOH 139 18.831 20.364 28.640 1.00 53.73 O HETATM 2591 O HOH 140 13.857 23.258 19.999 1.00 56.96 O HETATM 2592 O HOH 141 30.185 16.213 20.261 1.00 55.91 O HETATM 2593 O HOH 142 15.708 15.961 30.223 1.00 53.57 O HETATM 2594 O HOH 143 -0.397 27.934 -0.196 1.00 56.23 O HETATM 2595 O HOH 144 14.849 25.559 -3.978 1.00 45.41 O HETATM 2596 O HOH 145 26.708 -0.315 -2.255 1.00 45.12 O HETATM 2597 O HOH 146 11.084 1.516 12.391 1.00 52.10 O HETATM 2598 O HOH 147 9.557 3.688 10.602 1.00 44.03 O HETATM 2599 O HOH 148 6.557 6.533 12.542 1.00 48.49 O HETATM 2600 O HOH 149 7.212 6.602 7.769 1.00 34.82 O HETATM 2601 O HOH 150 4.424 7.604 -5.505 1.00 46.98 O HETATM 2602 O HOH 151 1.832 16.410 9.956 1.00 47.48 O HETATM 2603 O HOH 152 29.589 7.761 1.649 1.00 32.63 O HETATM 2604 O HOH 153 35.647 12.102 16.122 1.00 56.45 O HETATM 2605 O HOH 154 20.815 3.898 26.617 1.00 41.15 O HETATM 2606 O HOH 155 21.022 -0.063 19.691 1.00 50.89 O HETATM 2607 O HOH 156 11.197 -3.114 -3.178 1.00 42.36 O HETATM 2608 O HOH 157 21.988 5.442 6.173 1.00 27.14 O HETATM 2609 O HOH 158 21.831 8.624 6.895 1.00 42.71 O HETATM 2610 O HOH 159 11.562 22.114 -6.740 1.00 51.56 O HETATM 2611 O HOH 160 2.401 7.599 13.892 1.00 46.88 O HETATM 2612 O HOH 161 23.872 25.965 -1.800 1.00 59.27 O HETATM 2613 O HOH 162 31.321 18.895 13.558 1.00 54.36 O HETATM 2614 O HOH 163 30.973 5.632 0.529 1.00 42.49 O HETATM 2615 O HOH 164 16.716 -5.068 15.505 1.00 61.39 O HETATM 2616 O HOH 165 34.004 12.948 18.186 1.00 61.02 O HETATM 2617 O HOH 166 1.972 23.297 5.256 1.00 34.52 O HETATM 2618 O HOH 167 2.317 27.622 7.098 1.00 65.64 O HETATM 2619 O HOH 168 -0.937 9.815 4.771 1.00 49.85 O HETATM 2620 O HOH 169 1.256 27.923 4.537 1.00 58.57 O HETATM 2621 O HOH 170 0.948 15.875 7.669 1.00 53.10 O HETATM 2622 O HOH 171 12.952 2.528 -12.241 1.00 52.41 O HETATM 2623 O HOH 172 21.315 0.243 -6.562 1.00 49.61 O HETATM 2624 O HOH 173 16.296 -9.391 9.297 1.00 58.28 O HETATM 2625 O HOH 174 25.650 3.951 27.522 1.00 62.34 O HETATM 2626 O HOH 175 9.552 -2.274 6.349 1.00 55.21 O HETATM 2627 O HOH 176 0.747 10.222 13.147 1.00 41.28 O HETATM 2628 O HOH 177 24.715 16.535 23.831 1.00 37.92 O HETATM 2629 O HOH 178 1.409 25.350 4.238 1.00 47.11 O HETATM 2630 O HOH 179 23.328 13.092 6.010 1.00 49.02 O HETATM 2631 O HOH 180 24.771 14.587 -6.101 1.00 46.19 O HETATM 2632 O HOH 181 23.535 4.340 -7.991 1.00 41.10 O HETATM 2633 O HOH 182 11.257 -0.253 -0.106 1.00 31.58 O HETATM 2634 O HOH 183 24.496 0.927 -1.010 1.00 40.08 O HETATM 2635 C CE A 3 15.291 3.176 10.085 1.00 0.15 C HETATM 2636 C1 CE A 3 13.977 2.346 10.278 1.00 0.17 C HETATM 2637 C5 CE A 3 13.270 3.583 9.673 1.00 0.23 C HETATM 2638 N CE A 3 14.462 4.179 9.376 1.00 -0.22 N HETATM 2639 C4 CE A 3 14.984 5.263 8.644 1.00 0.08 C HETATM 2640 C3 CE A 3 16.256 5.310 8.397 1.00 -0.01 C HETATM 2641 C2 CE A 3 17.293 4.213 8.679 1.00 0.02 C HETATM 2642 S CE A 3 16.553 2.564 8.980 1.00 -0.11 S HETATM 2643 H3 CE A 3 17.966 4.139 7.812 1.00 0.05 H HETATM 2644 H4 CE A 3 17.872 4.502 9.569 1.00 0.05 H HETATM 2645 C9 CE A 3 16.850 6.503 7.728 1.00 0.10 C HETATM 2646 O3 CE A 3 17.718 7.208 8.718 1.00 -0.27 O HETATM 2647 C10 CE A 3 18.186 8.504 8.432 1.00 0.23 C HETATM 2648 O4 CE A 3 17.890 9.032 7.379 1.00 -0.37 O HETATM 2649 C11 CE A 3 19.049 9.018 9.540 1.00 0.04 C HETATM 2650 H14 CE A 3 19.401 10.030 9.291 1.00 0.05 H HETATM 2651 H15 CE A 3 19.914 8.351 9.671 1.00 0.05 H HETATM 2652 H16 CE A 3 18.467 9.051 10.473 1.00 0.05 H HETATM 2653 H12 CE A 3 16.050 7.177 7.388 1.00 0.07 H HETATM 2654 H13 CE A 3 17.453 6.184 6.865 1.00 0.07 H HETATM 2655 C12 CE A 3 13.915 6.208 8.136 1.00 0.06 C HETATM 2656 O5 CE A 3 13.029 5.749 7.308 1.00 -0.57 O HETATM 2657 O6 CE A 3 13.988 7.392 8.517 1.00 -0.57 O HETATM 2658 O CE A 3 12.119 3.888 9.509 1.00 -0.39 O HETATM 2659 N1 CE A 3 13.803 1.130 9.542 1.00 -0.26 N HETATM 2660 C6 CE A 3 14.307 -0.043 9.921 1.00 0.22 C HETATM 2661 O2 CE A 3 15.025 -0.146 10.873 1.00 -0.39 O HETATM 2662 C7 CE A 3 13.768 -1.192 9.183 1.00 0.15 C HETATM 2663 N2 CE A 3 12.782 -1.926 9.620 1.00 -0.13 N HETATM 2664 O1 CE A 3 12.254 -1.539 10.877 1.00 -0.23 O HETATM 2665 C8 CE A 3 10.807 -1.652 10.861 1.00 0.09 C HETATM 2666 H6 CE A 3 10.405 -1.350 11.839 1.00 0.06 H HETATM 2667 H7 CE A 3 10.523 -2.694 10.653 1.00 0.06 H HETATM 2668 H8 CE A 3 10.397 -0.997 10.078 1.00 0.06 H HETATM 2669 C14 CE A 3 14.352 -1.546 7.903 1.00 0.03 C HETATM 2670 N3 CE A 3 13.892 -2.669 7.206 1.00 -0.31 N HETATM 2671 C15 CE A 3 14.570 -2.791 6.080 1.00 0.18 C HETATM 2672 N4 CE A 3 14.433 -3.752 5.129 1.00 -0.30 N HETATM 2673 H9 CE A 3 13.703 -4.472 5.226 1.00 0.19 H HETATM 2674 H10 CE A 3 15.060 -3.761 4.312 1.00 0.19 H HETATM 2675 S1 CE A 3 15.825 -1.645 5.808 1.00 0.01 S HETATM 2676 C13 CE A 3 15.371 -0.902 7.279 1.00 0.01 C HETATM 2677 H11 CE A 3 15.849 -0.007 7.674 1.00 0.06 H HETATM 2678 H5 CE A 3 13.273 1.164 8.695 1.00 0.19 H HETATM 2679 H2 CE A 3 13.732 2.146 11.332 1.00 0.08 H HETATM 2680 H1 CE A 3 15.751 3.506 11.028 1.00 0.08 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2635 2636 2638 2642 2680 CONECT 2636 2635 2637 2659 2679 CONECT 2637 2636 2638 2658 CONECT 2638 2635 2637 2639 CONECT 2639 2638 2640 2655 CONECT 2640 2639 2641 2645 CONECT 2641 2640 2642 2643 2644 CONECT 2642 2635 2641 CONECT 2643 2641 CONECT 2644 2641 CONECT 2645 2640 2646 2653 2654 CONECT 2646 2645 2647 CONECT 2647 2646 2648 2649 CONECT 2648 2647 CONECT 2649 2647 2650 2651 2652 CONECT 2650 2649 CONECT 2651 2649 CONECT 2652 2649 CONECT 2653 2645 CONECT 2654 2645 CONECT 2655 2639 2656 2657 CONECT 2656 2655 CONECT 2657 2655 CONECT 2658 2637 CONECT 2659 2636 2660 2678 CONECT 2660 2659 2661 2662 CONECT 2661 2660 CONECT 2662 2660 2663 2669 CONECT 2663 2662 2664 CONECT 2664 2663 2665 CONECT 2665 2664 2666 2667 2668 CONECT 2666 2665 CONECT 2667 2665 CONECT 2668 2665 CONECT 2669 2662 2670 2676 CONECT 2670 2669 2671 CONECT 2671 2670 2672 2675 CONECT 2672 2671 2673 2674 CONECT 2673 2672 CONECT 2674 2672 CONECT 2675 2671 2676 CONECT 2676 2669 2675 2677 CONECT 2677 2676 CONECT 2678 2659 CONECT 2679 2636 CONECT 2680 2635 MASTER 0 0 0 0 0 0 0 0 2679 1 50 13 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4kot
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4klv
RCSB PDB
PDBbind
162aa, >4KLV_1|Chain... *
4kov
RCSB PDB
PDBbind
162aa, >4KOV_1|Chain... at 100%
4kow
RCSB PDB
PDBbind
162aa, >4KOW_1|Chain... at 100%
4kox
RCSB PDB
PDBbind
162aa, >4KOX_1|Chain... at 100%
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
4kot
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PA4794
Ligand Name
CE3
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=3.5uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 30223-30235
Ligand Properties
Formula
C
1
6
H
1
7
N
5
O
7
S
2
Molecular Weight
455.465
Exact Mass
455.057
No. of atoms
47
No. of bonds
49
Polar Surface Area
227.05
LOGP Value
0.69 (
Computed with XLOGP3
)
0.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C
InChI String
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/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):
Q9HV14
Entrez Gene ID
NCBI Entrez Gene ID:
880440
ASD
Information of known allosteric effects of PDB entries
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