PFRMAT TS TARGET TR389 AUTHOR 4008-1775-0004 METHOD The refinement models were made by running undertaker with various METHOD cost functions. METHOD METHOD The first 3 models had extra constraints to hold the conserved residues METHOD in place according to the corresponding residues in 2oucA: METHOD METHOD Constraints: METHOD R28.NH1 Y84.OH 3.75 METHOD R28.NH1 D26.OD1 2.59 METHOD Y84.OH D26.OD1 2.59 METHOD R28.NH2 S36.O 2.86 METHOD R28.NH2 E32.O 3.11 METHOD R28.NE Q86.OE1 5.46 METHOD R28.N D26.OD2 2.71 METHOD METHOD Y33.OH H37.NE2 3.89 METHOD Y33.OH H37.ND1 4.56 METHOD Y33.OH N43.N 4.13 METHOD Y33.OH A41.O 2.85 METHOD METHOD METHOD There were also constraints to retain the sheets and helices in all METHOD the models. METHOD METHOD Clash and break costs were gradually increased to make the chain more METHOD ideal without having the protein expand into "protein foam". METHOD METHOD METHOD Model METHOD 1 try10-opt3 < try9-opt3 < chimera-try8-try6 METHOD chimera-try8-try6 is mostly try8-opt3.gromacs0, METHOD but M1-T4 are copied from try6-opt3 METHOD METHOD 2 try9-opt3.gromacs0.repack-nonPC METHOD after undertaker, gromacs was used to do energy minimization, METHOD then rosetta was used to repack sidechains (except PRO and CYS). METHOD [This model has the lowest rosetta energy of all the ones METHOD rosetta repacked.] METHOD METHOD 3 try8-opt3.gromacs0 < try7-opt3 < init TR389 model METHOD METHOD 4 try6-opt3 < try5-opt3 < try4-opt3.gromacs0 METHOD < try3-opt3.gromacs0 < try2-opt3 < init TR389 model METHOD METHOD 5 try5-opt3.gromacs0.repack-nonPC METHOD METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 TR389 model 4 Sat Jun 28 22:26:34 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 13.902 0.529 -8.903 1.00 0.00 ATOM 2 CA MET 1 14.110 -0.514 -7.900 1.00 0.00 ATOM 3 CB MET 1 14.087 -1.904 -8.540 1.00 0.00 ATOM 4 CG MET 1 14.363 -2.998 -7.492 1.00 0.00 ATOM 5 SD MET 1 14.626 -4.662 -8.185 1.00 0.00 ATOM 6 CE MET 1 14.786 -5.509 -6.637 1.00 0.00 ATOM 7 O MET 1 16.307 0.364 -7.916 1.00 0.00 ATOM 8 C MET 1 15.475 -0.276 -7.288 1.00 0.00 ATOM 9 N ILE 2 15.515 -0.557 -6.003 1.00 0.00 ATOM 10 CA ILE 2 16.642 -0.107 -5.181 1.00 0.00 ATOM 11 CB ILE 2 16.040 0.906 -4.177 1.00 0.00 ATOM 12 CG1 ILE 2 15.553 0.170 -2.921 1.00 0.00 ATOM 13 CG2 ILE 2 14.850 1.690 -4.780 1.00 0.00 ATOM 14 CD1 ILE 2 14.977 1.005 -1.783 1.00 0.00 ATOM 15 O ILE 2 18.388 -1.206 -3.875 1.00 0.00 ATOM 16 C ILE 2 17.443 -1.328 -4.641 1.00 0.00 ATOM 17 N GLY 3 16.873 -2.518 -4.877 1.00 0.00 ATOM 18 CA GLY 3 17.478 -3.811 -4.520 1.00 0.00 ATOM 19 O GLY 3 16.287 -5.619 -3.504 1.00 0.00 ATOM 20 C GLY 3 16.721 -4.473 -3.362 1.00 0.00 ATOM 21 N THR 4 16.213 -3.656 -2.444 1.00 0.00 ATOM 22 CA THR 4 15.554 -4.181 -1.231 1.00 0.00 ATOM 23 CB THR 4 16.522 -4.535 -0.092 1.00 0.00 ATOM 24 CG2 THR 4 17.209 -5.881 -0.276 1.00 0.00 ATOM 25 OG1 THR 4 17.402 -3.438 0.155 1.00 0.00 ATOM 26 O THR 4 14.435 -2.136 -0.533 1.00 0.00 ATOM 27 C THR 4 14.433 -3.370 -0.599 1.00 0.00 ATOM 28 N GLN 5 13.592 -4.126 0.095 1.00 0.00 ATOM 29 CA GLN 5 12.412 -3.585 0.786 1.00 0.00 ATOM 30 CB GLN 5 11.142 -4.210 0.243 1.00 0.00 ATOM 31 CG GLN 5 10.908 -3.983 -1.238 1.00 0.00 ATOM 32 CD GLN 5 9.698 -4.743 -1.746 1.00 0.00 ATOM 33 OE1 GLN 5 9.390 -5.839 -1.270 1.00 0.00 ATOM 34 NE2 GLN 5 8.998 -4.167 -2.719 1.00 0.00 ATOM 35 O GLN 5 12.845 -5.116 2.581 1.00 0.00 ATOM 36 C GLN 5 12.448 -3.998 2.254 1.00 0.00 ATOM 37 N ILE 6 11.992 -3.110 3.133 1.00 0.00 ATOM 38 CA ILE 6 11.936 -3.415 4.563 1.00 0.00 ATOM 39 CB ILE 6 13.125 -2.781 5.326 1.00 0.00 ATOM 40 CG1 ILE 6 13.120 -3.283 6.773 1.00 0.00 ATOM 41 CG2 ILE 6 13.134 -1.240 5.253 1.00 0.00 ATOM 42 CD1 ILE 6 14.405 -2.974 7.559 1.00 0.00 ATOM 43 O ILE 6 10.190 -1.800 4.934 1.00 0.00 ATOM 44 C ILE 6 10.605 -2.937 5.162 1.00 0.00 ATOM 45 N VAL 7 9.946 -3.806 5.922 1.00 0.00 ATOM 46 CA VAL 7 8.673 -3.455 6.542 1.00 0.00 ATOM 47 CB VAL 7 7.803 -4.663 6.928 1.00 0.00 ATOM 48 CG1 VAL 7 7.368 -5.422 5.680 1.00 0.00 ATOM 49 CG2 VAL 7 8.443 -5.632 7.928 1.00 0.00 ATOM 50 O VAL 7 9.973 -2.533 8.335 1.00 0.00 ATOM 51 C VAL 7 8.896 -2.536 7.737 1.00 0.00 ATOM 52 N THR 8 7.877 -1.756 8.085 1.00 0.00 ATOM 53 CA THR 8 7.971 -0.811 9.241 1.00 0.00 ATOM 54 CB THR 8 6.681 0.026 9.338 1.00 0.00 ATOM 55 CG2 THR 8 6.638 0.989 10.514 1.00 0.00 ATOM 56 OG1 THR 8 6.558 0.791 8.139 1.00 0.00 ATOM 57 O THR 8 9.037 -1.127 11.381 1.00 0.00 ATOM 58 C THR 8 8.231 -1.567 10.560 1.00 0.00 ATOM 59 N GLU 9 7.550 -2.692 10.749 1.00 0.00 ATOM 60 CA GLU 9 7.724 -3.486 11.960 1.00 0.00 ATOM 61 CB GLU 9 6.776 -4.661 11.934 1.00 0.00 ATOM 62 CG GLU 9 5.290 -4.287 11.953 1.00 0.00 ATOM 63 CD GLU 9 4.412 -5.534 11.860 1.00 0.00 ATOM 64 OE1 GLU 9 4.993 -6.627 11.645 1.00 0.00 ATOM 65 OE2 GLU 9 3.182 -5.408 12.033 1.00 0.00 ATOM 66 O GLU 9 9.796 -3.875 13.105 1.00 0.00 ATOM 67 C GLU 9 9.175 -3.945 12.044 1.00 0.00 ATOM 68 N ARG 10 9.714 -4.416 10.923 1.00 0.00 ATOM 69 CA ARG 10 11.089 -4.879 10.889 1.00 0.00 ATOM 70 CB ARG 10 11.400 -5.616 9.585 1.00 0.00 ATOM 71 CG ARG 10 12.836 -6.102 9.458 1.00 0.00 ATOM 72 CD ARG 10 13.138 -7.275 10.391 1.00 0.00 ATOM 73 NE ARG 10 14.555 -7.644 10.355 1.00 0.00 ATOM 74 CZ ARG 10 15.174 -8.212 9.319 1.00 0.00 ATOM 75 NH1 ARG 10 16.466 -8.504 9.399 1.00 0.00 ATOM 76 NH2 ARG 10 14.513 -8.492 8.198 1.00 0.00 ATOM 77 O ARG 10 13.091 -3.898 11.814 1.00 0.00 ATOM 78 C ARG 10 12.066 -3.713 11.156 1.00 0.00 ATOM 79 N LEU 11 11.740 -2.528 10.649 1.00 0.00 ATOM 80 CA LEU 11 12.591 -1.361 10.846 1.00 0.00 ATOM 81 CB LEU 11 12.114 -0.219 9.942 1.00 0.00 ATOM 82 CG LEU 11 12.829 1.100 10.016 1.00 0.00 ATOM 83 CD1 LEU 11 14.346 0.934 9.697 1.00 0.00 ATOM 84 CD2 LEU 11 12.231 2.091 9.068 1.00 0.00 ATOM 85 O LEU 11 13.775 -0.702 12.858 1.00 0.00 ATOM 86 C LEU 11 12.689 -1.008 12.364 1.00 0.00 ATOM 87 N VAL 12 11.564 -1.058 13.070 1.00 0.00 ATOM 88 CA VAL 12 11.552 -0.749 14.495 1.00 0.00 ATOM 89 CB VAL 12 10.123 -0.717 15.057 1.00 0.00 ATOM 90 CG1 VAL 12 10.076 -0.525 16.585 1.00 0.00 ATOM 91 CG2 VAL 12 9.300 0.365 14.356 1.00 0.00 ATOM 92 O VAL 12 13.204 -1.340 16.113 1.00 0.00 ATOM 93 C VAL 12 12.403 -1.752 15.279 1.00 0.00 ATOM 94 N ALA 13 12.296 -3.023 14.903 1.00 0.00 ATOM 95 CA ALA 13 13.109 -4.094 15.508 1.00 0.00 ATOM 96 CB ALA 13 12.755 -5.453 14.940 1.00 0.00 ATOM 97 O ALA 13 15.399 -3.908 16.239 1.00 0.00 ATOM 98 C ALA 13 14.613 -3.831 15.308 1.00 0.00 ATOM 99 N LEU 14 14.907 -3.332 14.116 1.00 0.00 ATOM 100 CA LEU 14 16.256 -2.952 13.691 1.00 0.00 ATOM 101 CB LEU 14 16.226 -2.752 12.175 1.00 0.00 ATOM 102 CG LEU 14 17.580 -2.443 11.518 1.00 0.00 ATOM 103 CD1 LEU 14 18.618 -3.537 11.779 1.00 0.00 ATOM 104 CD2 LEU 14 17.365 -2.334 10.007 1.00 0.00 ATOM 105 O LEU 14 17.922 -1.688 14.876 1.00 0.00 ATOM 106 C LEU 14 16.766 -1.720 14.438 1.00 0.00 ATOM 107 N LEU 15 15.899 -0.704 14.592 1.00 0.00 ATOM 108 CA LEU 15 16.212 0.476 15.398 1.00 0.00 ATOM 109 CB LEU 15 15.048 1.451 15.405 1.00 0.00 ATOM 110 CG LEU 15 15.218 2.690 16.293 1.00 0.00 ATOM 111 CD1 LEU 15 16.474 3.450 15.894 1.00 0.00 ATOM 112 CD2 LEU 15 13.991 3.582 16.164 1.00 0.00 ATOM 113 O LEU 15 17.527 0.523 17.405 1.00 0.00 ATOM 114 C LEU 15 16.561 0.036 16.815 1.00 0.00 ATOM 115 N GLU 16 15.774 -0.887 17.361 1.00 0.00 ATOM 116 CA GLU 16 16.016 -1.391 18.725 1.00 0.00 ATOM 117 CB GLU 16 14.896 -2.304 19.178 1.00 0.00 ATOM 118 CG GLU 16 13.669 -1.482 19.558 1.00 0.00 ATOM 119 CD GLU 16 12.418 -2.319 19.813 1.00 0.00 ATOM 120 OE1 GLU 16 12.468 -3.556 19.613 1.00 0.00 ATOM 121 OE2 GLU 16 11.373 -1.690 20.085 1.00 0.00 ATOM 122 O GLU 16 18.001 -2.153 19.825 1.00 0.00 ATOM 123 C GLU 16 17.286 -2.215 18.823 1.00 0.00 ATOM 124 N SER 17 17.572 -2.989 17.780 1.00 0.00 ATOM 125 CA SER 17 18.769 -3.821 17.763 1.00 0.00 ATOM 126 CB SER 17 18.847 -4.668 16.502 1.00 0.00 ATOM 127 OG SER 17 20.070 -5.426 16.491 1.00 0.00 ATOM 128 O SER 17 20.434 -2.435 16.827 1.00 0.00 ATOM 129 C SER 17 20.041 -3.080 17.808 1.00 0.00 ATOM 130 N GLY 18 20.834 -3.250 18.941 1.00 0.00 ATOM 131 CA GLY 18 22.188 -2.753 19.038 1.00 0.00 ATOM 132 O GLY 18 24.172 -2.920 17.672 1.00 0.00 ATOM 133 C GLY 18 23.199 -3.486 18.148 1.00 0.00 ATOM 134 N THR 19 22.923 -4.765 17.922 1.00 0.00 ATOM 135 CA THR 19 23.781 -5.623 17.087 1.00 0.00 ATOM 136 CB THR 19 23.254 -7.057 17.084 1.00 0.00 ATOM 137 CG2 THR 19 24.066 -8.063 16.238 1.00 0.00 ATOM 138 OG1 THR 19 23.230 -7.444 18.446 1.00 0.00 ATOM 139 O THR 19 24.819 -4.820 15.079 1.00 0.00 ATOM 140 C THR 19 23.768 -5.113 15.650 1.00 0.00 ATOM 141 N GLU 20 22.577 -5.008 15.069 1.00 0.00 ATOM 142 CA GLU 20 22.460 -4.540 13.733 1.00 0.00 ATOM 143 CB GLU 20 21.278 -5.205 13.062 1.00 0.00 ATOM 144 CG GLU 20 21.436 -6.719 13.162 1.00 0.00 ATOM 145 CD GLU 20 20.149 -7.394 13.600 1.00 0.00 ATOM 146 OE1 GLU 20 20.057 -8.592 13.316 1.00 0.00 ATOM 147 OE2 GLU 20 19.268 -6.713 14.169 1.00 0.00 ATOM 148 O GLU 20 21.663 -2.430 14.552 1.00 0.00 ATOM 149 C GLU 20 22.392 -3.017 13.751 1.00 0.00 ATOM 150 N LYS 21 23.150 -2.379 12.865 1.00 0.00 ATOM 151 CA LYS 21 23.158 -0.945 12.797 1.00 0.00 ATOM 152 CB LYS 21 24.588 -0.447 12.679 1.00 0.00 ATOM 153 CG LYS 21 25.390 -0.680 13.950 1.00 0.00 ATOM 154 CD LYS 21 26.747 -0.042 13.743 1.00 0.00 ATOM 155 CE LYS 21 27.595 -0.187 14.995 1.00 0.00 ATOM 156 NZ LYS 21 28.851 0.520 14.796 1.00 0.00 ATOM 157 O LYS 21 22.380 -1.064 10.529 1.00 0.00 ATOM 158 C LYS 21 22.317 -0.478 11.611 1.00 0.00 ATOM 159 N VAL 22 21.534 0.575 11.815 1.00 0.00 ATOM 160 CA VAL 22 20.690 1.108 10.750 1.00 0.00 ATOM 161 CB VAL 22 19.244 0.600 10.891 1.00 0.00 ATOM 162 CG1 VAL 22 18.568 0.973 12.217 1.00 0.00 ATOM 163 CG2 VAL 22 18.374 1.049 9.712 1.00 0.00 ATOM 164 O VAL 22 20.612 3.293 11.708 1.00 0.00 ATOM 165 C VAL 22 20.804 2.629 10.696 1.00 0.00 ATOM 166 N LEU 23 20.888 3.106 9.461 1.00 0.00 ATOM 167 CA LEU 23 20.912 4.545 9.200 1.00 0.00 ATOM 168 CB LEU 23 22.189 4.880 8.427 1.00 0.00 ATOM 169 CG LEU 23 22.520 6.363 8.505 1.00 0.00 ATOM 170 CD1 LEU 23 22.981 6.725 9.922 1.00 0.00 ATOM 171 CD2 LEU 23 23.577 6.712 7.462 1.00 0.00 ATOM 172 O LEU 23 19.376 4.292 7.352 1.00 0.00 ATOM 173 C LEU 23 19.664 4.903 8.384 1.00 0.00 ATOM 174 N LEU 24 18.971 5.932 8.831 1.00 0.00 ATOM 175 CA LEU 24 17.714 6.364 8.193 1.00 0.00 ATOM 176 CB LEU 24 16.571 6.555 9.200 1.00 0.00 ATOM 177 CG LEU 24 16.432 5.364 10.155 1.00 0.00 ATOM 178 CD1 LEU 24 15.520 5.728 11.312 1.00 0.00 ATOM 179 CD2 LEU 24 15.900 4.117 9.465 1.00 0.00 ATOM 180 O LEU 24 18.485 8.661 7.827 1.00 0.00 ATOM 181 C LEU 24 17.912 7.668 7.416 1.00 0.00 ATOM 182 N ILE 25 17.473 7.611 6.193 1.00 0.00 ATOM 183 CA ILE 25 17.485 8.815 5.352 1.00 0.00 ATOM 184 CB ILE 25 18.307 8.551 4.080 1.00 0.00 ATOM 185 CG1 ILE 25 19.781 8.159 4.293 1.00 0.00 ATOM 186 CG2 ILE 25 18.091 9.719 3.119 1.00 0.00 ATOM 187 CD1 ILE 25 20.598 9.013 5.271 1.00 0.00 ATOM 188 O ILE 25 15.570 8.572 4.006 1.00 0.00 ATOM 189 C ILE 25 16.047 9.151 4.983 1.00 0.00 ATOM 190 N ASP 26 15.717 10.394 5.306 1.00 0.00 ATOM 191 CA ASP 26 14.458 10.954 4.820 1.00 0.00 ATOM 192 CB ASP 26 13.627 11.443 6.005 1.00 0.00 ATOM 193 CG ASP 26 12.239 11.796 5.497 1.00 0.00 ATOM 194 OD1 ASP 26 11.577 10.896 4.956 1.00 0.00 ATOM 195 OD2 ASP 26 11.915 12.996 5.543 1.00 0.00 ATOM 196 O ASP 26 15.509 12.970 4.038 1.00 0.00 ATOM 197 C ASP 26 14.700 12.069 3.805 1.00 0.00 ATOM 198 N SER 27 14.158 11.853 2.607 1.00 0.00 ATOM 199 CA SER 27 14.189 12.915 1.581 1.00 0.00 ATOM 200 CB SER 27 15.034 12.532 0.386 1.00 0.00 ATOM 201 OG SER 27 15.112 13.497 -0.670 1.00 0.00 ATOM 202 O SER 27 12.502 13.718 0.020 1.00 0.00 ATOM 203 C SER 27 12.816 13.403 1.166 1.00 0.00 ATOM 204 N ARG 28 12.061 13.638 2.218 1.00 0.00 ATOM 205 CA ARG 28 10.783 14.359 2.146 1.00 0.00 ATOM 206 CB ARG 28 9.917 13.954 3.334 1.00 0.00 ATOM 207 CG ARG 28 9.439 12.506 3.203 1.00 0.00 ATOM 208 CD ARG 28 8.419 12.116 4.274 1.00 0.00 ATOM 209 NE ARG 28 8.980 12.197 5.632 1.00 0.00 ATOM 210 CZ ARG 28 8.921 13.246 6.454 1.00 0.00 ATOM 211 NH1 ARG 28 9.602 13.264 7.567 1.00 0.00 ATOM 212 NH2 ARG 28 8.191 14.324 6.209 1.00 0.00 ATOM 213 O ARG 28 12.167 16.311 2.451 1.00 0.00 ATOM 214 C ARG 28 11.053 15.874 2.152 1.00 0.00 ATOM 215 N PRO 29 10.075 16.702 1.734 1.00 0.00 ATOM 216 CA PRO 29 10.251 18.163 1.729 1.00 0.00 ATOM 217 CB PRO 29 8.860 18.693 1.492 1.00 0.00 ATOM 218 CG PRO 29 8.227 17.646 0.609 1.00 0.00 ATOM 219 CD PRO 29 8.665 16.364 1.232 1.00 0.00 ATOM 220 O PRO 29 10.483 17.884 4.098 1.00 0.00 ATOM 221 C PRO 29 10.751 18.572 3.106 1.00 0.00 ATOM 222 N PHE 30 11.623 19.568 3.118 1.00 0.00 ATOM 223 CA PHE 30 12.259 20.039 4.368 1.00 0.00 ATOM 224 CB PHE 30 13.232 21.180 4.044 1.00 0.00 ATOM 225 CG PHE 30 13.942 21.688 5.302 1.00 0.00 ATOM 226 CD1 PHE 30 15.065 21.004 5.769 1.00 0.00 ATOM 227 CD2 PHE 30 13.438 22.788 5.977 1.00 0.00 ATOM 228 CE1 PHE 30 15.686 21.420 6.930 1.00 0.00 ATOM 229 CE2 PHE 30 14.053 23.197 7.132 1.00 0.00 ATOM 230 CZ PHE 30 15.151 22.510 7.574 1.00 0.00 ATOM 231 O PHE 30 11.321 20.201 6.564 1.00 0.00 ATOM 232 C PHE 30 11.208 20.503 5.387 1.00 0.00 ATOM 233 N VAL 31 10.129 21.089 4.872 1.00 0.00 ATOM 234 CA VAL 31 8.980 21.528 5.706 1.00 0.00 ATOM 235 CB VAL 31 7.953 22.285 4.841 1.00 0.00 ATOM 236 CG1 VAL 31 6.665 22.622 5.586 1.00 0.00 ATOM 237 CG2 VAL 31 8.531 23.607 4.354 1.00 0.00 ATOM 238 O VAL 31 8.138 20.306 7.609 1.00 0.00 ATOM 239 C VAL 31 8.366 20.305 6.396 1.00 0.00 ATOM 240 N GLU 32 8.088 19.249 5.635 1.00 0.00 ATOM 241 CA GLU 32 7.507 18.029 6.187 1.00 0.00 ATOM 242 CB GLU 32 7.167 17.021 5.082 1.00 0.00 ATOM 243 CG GLU 32 6.018 17.480 4.192 1.00 0.00 ATOM 244 CD GLU 32 4.742 17.701 4.988 1.00 0.00 ATOM 245 OE1 GLU 32 4.252 16.796 5.701 1.00 0.00 ATOM 246 OE2 GLU 32 4.232 18.808 4.794 1.00 0.00 ATOM 247 O GLU 32 8.137 16.872 8.202 1.00 0.00 ATOM 248 C GLU 32 8.507 17.373 7.137 1.00 0.00 ATOM 249 N TYR 33 9.784 17.354 6.737 1.00 0.00 ATOM 250 CA TYR 33 10.829 16.780 7.573 1.00 0.00 ATOM 251 CB TYR 33 12.163 16.922 6.835 1.00 0.00 ATOM 252 CG TYR 33 13.280 16.305 7.663 1.00 0.00 ATOM 253 CD1 TYR 33 13.480 14.936 7.634 1.00 0.00 ATOM 254 CD2 TYR 33 14.089 17.094 8.481 1.00 0.00 ATOM 255 CE1 TYR 33 14.473 14.344 8.378 1.00 0.00 ATOM 256 CE2 TYR 33 15.086 16.502 9.242 1.00 0.00 ATOM 257 CZ TYR 33 15.301 15.123 9.186 1.00 0.00 ATOM 258 OH TYR 33 16.480 14.620 9.607 1.00 0.00 ATOM 259 O TYR 33 10.765 16.810 9.951 1.00 0.00 ATOM 260 C TYR 33 10.896 17.481 8.939 1.00 0.00 ATOM 261 N ASN 34 10.750 18.798 8.885 1.00 0.00 ATOM 262 CA ASN 34 10.767 19.678 10.062 1.00 0.00 ATOM 263 CB ASN 34 10.895 21.131 9.603 1.00 0.00 ATOM 264 CG ASN 34 10.963 22.089 10.792 1.00 0.00 ATOM 265 ND2 ASN 34 9.913 22.851 10.967 1.00 0.00 ATOM 266 OD1 ASN 34 11.883 22.160 11.586 1.00 0.00 ATOM 267 O ASN 34 9.614 19.637 12.164 1.00 0.00 ATOM 268 C ASN 34 9.538 19.483 10.958 1.00 0.00 ATOM 269 N THR 35 8.369 19.323 10.332 1.00 0.00 ATOM 270 CA THR 35 7.133 19.019 11.101 1.00 0.00 ATOM 271 CB THR 35 5.911 18.759 10.215 1.00 0.00 ATOM 272 CG2 THR 35 4.619 18.383 10.975 1.00 0.00 ATOM 273 OG1 THR 35 5.711 19.960 9.498 1.00 0.00 ATOM 274 O THR 35 7.366 17.835 13.157 1.00 0.00 ATOM 275 C THR 35 7.407 17.786 11.933 1.00 0.00 ATOM 276 N SER 36 7.769 16.727 11.231 1.00 0.00 ATOM 277 CA SER 36 8.013 15.432 11.884 1.00 0.00 ATOM 278 CB SER 36 6.677 14.823 12.291 1.00 0.00 ATOM 279 OG SER 36 6.850 13.590 12.997 1.00 0.00 ATOM 280 O SER 36 8.512 14.463 9.740 1.00 0.00 ATOM 281 C SER 36 8.760 14.503 10.942 1.00 0.00 ATOM 282 N HIS 37 9.554 13.669 11.581 1.00 0.00 ATOM 283 CA HIS 37 10.340 12.612 10.938 1.00 0.00 ATOM 284 CB HIS 37 11.538 13.205 10.192 1.00 0.00 ATOM 285 CG HIS 37 12.493 13.972 11.103 1.00 0.00 ATOM 286 CD2 HIS 37 13.679 13.525 11.484 1.00 0.00 ATOM 287 ND1 HIS 37 12.348 15.216 11.544 1.00 0.00 ATOM 288 CE1 HIS 37 13.458 15.553 12.194 1.00 0.00 ATOM 289 NE2 HIS 37 14.291 14.516 12.109 1.00 0.00 ATOM 290 O HIS 37 10.143 11.533 13.060 1.00 0.00 ATOM 291 C HIS 37 10.753 11.577 11.996 1.00 0.00 ATOM 292 N ILE 38 11.381 10.517 11.525 1.00 0.00 ATOM 293 CA ILE 38 11.871 9.451 12.424 1.00 0.00 ATOM 294 CB ILE 38 12.686 8.421 11.655 1.00 0.00 ATOM 295 CG1 ILE 38 11.842 7.888 10.482 1.00 0.00 ATOM 296 CG2 ILE 38 13.114 7.288 12.632 1.00 0.00 ATOM 297 CD1 ILE 38 10.486 7.245 10.882 1.00 0.00 ATOM 298 O ILE 38 13.700 10.889 13.021 1.00 0.00 ATOM 299 C ILE 38 12.878 10.057 13.401 1.00 0.00 ATOM 300 N LEU 39 12.859 9.526 14.616 1.00 0.00 ATOM 301 CA LEU 39 13.943 9.806 15.583 1.00 0.00 ATOM 302 CB LEU 39 13.705 9.114 16.924 1.00 0.00 ATOM 303 CG LEU 39 12.454 9.597 17.663 1.00 0.00 ATOM 304 CD1 LEU 39 12.165 8.666 18.829 1.00 0.00 ATOM 305 CD2 LEU 39 12.645 11.008 18.221 1.00 0.00 ATOM 306 O LEU 39 15.208 8.309 14.180 1.00 0.00 ATOM 307 C LEU 39 15.232 9.260 14.963 1.00 0.00 ATOM 308 N GLU 40 16.299 10.002 15.177 1.00 0.00 ATOM 309 CA GLU 40 17.625 9.615 14.671 1.00 0.00 ATOM 310 CB GLU 40 18.054 8.262 15.262 1.00 0.00 ATOM 311 CG GLU 40 18.130 8.203 16.797 1.00 0.00 ATOM 312 CD GLU 40 18.594 6.834 17.312 1.00 0.00 ATOM 313 OE1 GLU 40 19.081 6.018 16.507 1.00 0.00 ATOM 314 OE2 GLU 40 18.663 6.693 18.557 1.00 0.00 ATOM 315 O GLU 40 18.754 9.069 12.708 1.00 0.00 ATOM 316 C GLU 40 17.688 9.470 13.138 1.00 0.00 ATOM 317 N ALA 41 16.780 10.133 12.419 1.00 0.00 ATOM 318 CA ALA 41 16.768 10.167 10.940 1.00 0.00 ATOM 319 CB ALA 41 15.311 10.360 10.534 1.00 0.00 ATOM 320 O ALA 41 17.883 12.308 11.113 1.00 0.00 ATOM 321 C ALA 41 17.689 11.288 10.447 1.00 0.00 ATOM 322 N ILE 42 18.300 11.036 9.298 1.00 0.00 ATOM 323 CA ILE 42 19.172 12.019 8.629 1.00 0.00 ATOM 324 CB ILE 42 20.451 11.386 8.077 1.00 0.00 ATOM 325 CG1 ILE 42 21.132 10.649 9.217 1.00 0.00 ATOM 326 CG2 ILE 42 21.377 12.436 7.439 1.00 0.00 ATOM 327 CD1 ILE 42 22.302 9.798 8.757 1.00 0.00 ATOM 328 O ILE 42 17.853 11.863 6.610 1.00 0.00 ATOM 329 C ILE 42 18.363 12.589 7.462 1.00 0.00 ATOM 330 N ASN 43 18.444 13.900 7.379 1.00 0.00 ATOM 331 CA ASN 43 17.721 14.590 6.317 1.00 0.00 ATOM 332 CB ASN 43 17.414 15.995 6.822 1.00 0.00 ATOM 333 CG ASN 43 16.964 16.929 5.732 1.00 0.00 ATOM 334 ND2 ASN 43 16.760 18.198 6.111 1.00 0.00 ATOM 335 OD1 ASN 43 16.775 16.546 4.589 1.00 0.00 ATOM 336 O ASN 43 19.801 15.257 5.337 1.00 0.00 ATOM 337 C ASN 43 18.658 14.815 5.144 1.00 0.00 ATOM 338 N ILE 44 18.160 14.459 4.002 1.00 0.00 ATOM 339 CA ILE 44 18.929 14.659 2.782 1.00 0.00 ATOM 340 CB ILE 44 19.275 13.326 2.132 1.00 0.00 ATOM 341 CG1 ILE 44 20.049 12.416 3.072 1.00 0.00 ATOM 342 CG2 ILE 44 20.019 13.587 0.818 1.00 0.00 ATOM 343 CD1 ILE 44 20.567 11.132 2.632 1.00 0.00 ATOM 344 O ILE 44 17.049 14.991 1.317 1.00 0.00 ATOM 345 C ILE 44 18.044 15.459 1.852 1.00 0.00 ATOM 346 N ASN 45 18.440 16.713 1.771 1.00 0.00 ATOM 347 CA ASN 45 17.704 17.670 0.949 1.00 0.00 ATOM 348 CB ASN 45 18.267 19.056 1.173 1.00 0.00 ATOM 349 CG ASN 45 18.045 19.522 2.598 1.00 0.00 ATOM 350 ND2 ASN 45 18.513 20.708 2.786 1.00 0.00 ATOM 351 OD1 ASN 45 17.707 18.854 3.562 1.00 0.00 ATOM 352 O ASN 45 18.836 16.776 -0.952 1.00 0.00 ATOM 353 C ASN 45 17.798 17.264 -0.507 1.00 0.00 ATOM 354 N CYS 46 16.746 17.614 -1.225 1.00 0.00 ATOM 355 CA CYS 46 16.691 17.337 -2.662 1.00 0.00 ATOM 356 CB CYS 46 16.121 15.946 -2.949 1.00 0.00 ATOM 357 SG CYS 46 17.427 14.730 -2.518 1.00 0.00 ATOM 358 O CYS 46 15.465 18.335 -4.465 1.00 0.00 ATOM 359 C CYS 46 16.215 18.515 -3.506 1.00 0.00 ATOM 360 N SER 47 16.707 19.708 -3.191 1.00 0.00 ATOM 361 CA SER 47 16.323 20.921 -3.938 1.00 0.00 ATOM 362 CB SER 47 16.801 22.200 -3.211 1.00 0.00 ATOM 363 OG SER 47 18.205 22.471 -3.331 1.00 0.00 ATOM 364 O SER 47 17.499 19.758 -5.712 1.00 0.00 ATOM 365 C SER 47 17.018 20.827 -5.335 1.00 0.00 ATOM 366 N LYS 48 16.938 21.895 -6.124 1.00 0.00 ATOM 367 CA LYS 48 17.556 21.908 -7.443 1.00 0.00 ATOM 368 CB LYS 48 17.375 23.242 -8.168 1.00 0.00 ATOM 369 CG LYS 48 15.942 23.465 -8.613 1.00 0.00 ATOM 370 CD LYS 48 15.811 24.801 -9.315 1.00 0.00 ATOM 371 CE LYS 48 14.360 24.911 -9.738 1.00 0.00 ATOM 372 NZ LYS 48 14.022 26.227 -10.235 1.00 0.00 ATOM 373 O LYS 48 19.624 20.833 -8.029 1.00 0.00 ATOM 374 C LYS 48 19.056 21.651 -7.305 1.00 0.00 ATOM 375 N LEU 49 19.679 22.349 -6.381 1.00 0.00 ATOM 376 CA LEU 49 21.112 22.181 -6.166 1.00 0.00 ATOM 377 CB LEU 49 21.659 23.069 -5.073 1.00 0.00 ATOM 378 CG LEU 49 21.934 24.468 -5.577 1.00 0.00 ATOM 379 CD1 LEU 49 22.313 25.257 -4.333 1.00 0.00 ATOM 380 CD2 LEU 49 23.063 24.520 -6.620 1.00 0.00 ATOM 381 O LEU 49 22.207 20.111 -6.399 1.00 0.00 ATOM 382 C LEU 49 21.403 20.761 -5.732 1.00 0.00 ATOM 383 N MET 50 20.526 20.250 -4.893 1.00 0.00 ATOM 384 CA MET 50 20.684 18.908 -4.314 1.00 0.00 ATOM 385 CB MET 50 19.705 18.780 -3.156 1.00 0.00 ATOM 386 CG MET 50 19.676 19.985 -2.201 1.00 0.00 ATOM 387 SD MET 50 21.288 20.631 -1.637 1.00 0.00 ATOM 388 CE MET 50 21.583 19.326 -0.479 1.00 0.00 ATOM 389 O MET 50 21.237 16.840 -5.472 1.00 0.00 ATOM 390 C MET 50 20.490 17.820 -5.433 1.00 0.00 ATOM 391 N LYS 51 19.564 18.055 -6.356 1.00 0.00 ATOM 392 CA LYS 51 19.312 17.106 -7.433 1.00 0.00 ATOM 393 CB LYS 51 18.192 17.562 -8.288 1.00 0.00 ATOM 394 CG LYS 51 16.814 17.297 -7.705 1.00 0.00 ATOM 395 CD LYS 51 15.604 17.962 -8.331 1.00 0.00 ATOM 396 CE LYS 51 15.619 17.753 -9.821 1.00 0.00 ATOM 397 NZ LYS 51 14.350 18.373 -10.341 1.00 0.00 ATOM 398 O LYS 51 21.093 15.943 -8.562 1.00 0.00 ATOM 399 C LYS 51 20.554 17.016 -8.336 1.00 0.00 ATOM 400 N ARG 52 21.040 18.187 -8.739 1.00 0.00 ATOM 401 CA ARG 52 22.272 18.272 -9.551 1.00 0.00 ATOM 402 CB ARG 52 22.525 19.748 -9.854 1.00 0.00 ATOM 403 CG ARG 52 23.763 19.937 -10.724 1.00 0.00 ATOM 404 CD ARG 52 24.029 21.417 -10.969 1.00 0.00 ATOM 405 NE ARG 52 24.465 22.058 -9.710 1.00 0.00 ATOM 406 CZ ARG 52 25.671 21.906 -9.143 1.00 0.00 ATOM 407 NH1 ARG 52 26.623 21.162 -9.677 1.00 0.00 ATOM 408 NH2 ARG 52 25.934 22.498 -8.001 1.00 0.00 ATOM 409 O ARG 52 24.223 16.871 -9.300 1.00 0.00 ATOM 410 C ARG 52 23.487 17.717 -8.803 1.00 0.00 ATOM 411 N ARG 53 23.528 18.058 -7.519 1.00 0.00 ATOM 412 CA ARG 53 24.624 17.736 -6.596 1.00 0.00 ATOM 413 CB ARG 53 24.378 18.353 -5.219 1.00 0.00 ATOM 414 CG ARG 53 24.869 19.797 -5.173 1.00 0.00 ATOM 415 CD ARG 53 24.757 20.284 -3.747 1.00 0.00 ATOM 416 NE ARG 53 25.302 21.636 -3.708 1.00 0.00 ATOM 417 CZ ARG 53 25.874 22.196 -2.648 1.00 0.00 ATOM 418 NH1 ARG 53 26.018 21.564 -1.491 1.00 0.00 ATOM 419 NH2 ARG 53 26.390 23.399 -2.740 1.00 0.00 ATOM 420 O ARG 53 25.945 15.740 -6.413 1.00 0.00 ATOM 421 C ARG 53 24.815 16.231 -6.433 1.00 0.00 ATOM 422 N LEU 54 23.713 15.505 -6.282 1.00 0.00 ATOM 423 CA LEU 54 23.779 14.075 -6.121 1.00 0.00 ATOM 424 CB LEU 54 22.662 13.633 -5.180 1.00 0.00 ATOM 425 CG LEU 54 22.879 14.053 -3.739 1.00 0.00 ATOM 426 CD1 LEU 54 21.609 13.673 -2.987 1.00 0.00 ATOM 427 CD2 LEU 54 24.058 13.317 -3.103 1.00 0.00 ATOM 428 O LEU 54 24.394 12.284 -7.607 1.00 0.00 ATOM 429 C LEU 54 23.695 13.281 -7.434 1.00 0.00 ATOM 430 N GLN 55 22.778 13.678 -8.312 1.00 0.00 ATOM 431 CA GLN 55 22.614 12.997 -9.591 1.00 0.00 ATOM 432 CB GLN 55 21.494 13.690 -10.378 1.00 0.00 ATOM 433 CG GLN 55 21.172 13.060 -11.735 1.00 0.00 ATOM 434 CD GLN 55 20.780 11.584 -11.606 1.00 0.00 ATOM 435 OE1 GLN 55 19.826 11.198 -10.957 1.00 0.00 ATOM 436 NE2 GLN 55 21.574 10.741 -12.209 1.00 0.00 ATOM 437 O GLN 55 24.152 12.062 -11.186 1.00 0.00 ATOM 438 C GLN 55 23.910 12.995 -10.412 1.00 0.00 ATOM 439 N GLN 56 24.655 14.060 -10.316 1.00 0.00 ATOM 440 CA GLN 56 25.915 14.195 -11.056 1.00 0.00 ATOM 441 CB GLN 56 26.235 15.654 -11.317 1.00 0.00 ATOM 442 CG GLN 56 25.496 16.047 -12.590 1.00 0.00 ATOM 443 CD GLN 56 25.809 17.488 -12.915 1.00 0.00 ATOM 444 OE1 GLN 56 26.920 17.994 -13.008 1.00 0.00 ATOM 445 NE2 GLN 56 24.749 18.208 -13.008 1.00 0.00 ATOM 446 O GLN 56 28.224 13.724 -10.649 1.00 0.00 ATOM 447 C GLN 56 27.060 13.504 -10.335 1.00 0.00 ATOM 448 N ASP 57 26.739 13.034 -9.134 1.00 0.00 ATOM 449 CA ASP 57 27.674 12.307 -8.261 1.00 0.00 ATOM 450 CB ASP 57 28.262 11.106 -9.007 1.00 0.00 ATOM 451 CG ASP 57 27.201 10.092 -9.405 1.00 0.00 ATOM 452 OD1 ASP 57 26.239 9.904 -8.631 1.00 0.00 ATOM 453 OD2 ASP 57 27.334 9.472 -10.481 1.00 0.00 ATOM 454 O ASP 57 29.730 12.677 -7.094 1.00 0.00 ATOM 455 C ASP 57 28.863 13.158 -7.803 1.00 0.00 ATOM 456 N LYS 58 28.680 14.452 -7.999 1.00 0.00 ATOM 457 CA LYS 58 29.674 15.433 -7.584 1.00 0.00 ATOM 458 CB LYS 58 29.330 16.783 -8.190 1.00 0.00 ATOM 459 CG LYS 58 29.580 16.881 -9.684 1.00 0.00 ATOM 460 CD LYS 58 29.021 18.202 -10.176 1.00 0.00 ATOM 461 CE LYS 58 29.563 18.483 -11.558 1.00 0.00 ATOM 462 NZ LYS 58 29.107 19.786 -12.044 1.00 0.00 ATOM 463 O LYS 58 30.849 15.646 -5.520 1.00 0.00 ATOM 464 C LYS 58 29.763 15.475 -6.057 1.00 0.00 ATOM 465 N VAL 59 28.619 15.242 -5.414 1.00 0.00 ATOM 466 CA VAL 59 28.592 15.029 -3.954 1.00 0.00 ATOM 467 CB VAL 59 27.817 16.152 -3.228 1.00 0.00 ATOM 468 CG1 VAL 59 28.384 17.541 -3.559 1.00 0.00 ATOM 469 CG2 VAL 59 26.332 16.130 -3.535 1.00 0.00 ATOM 470 O VAL 59 27.044 13.197 -4.268 1.00 0.00 ATOM 471 C VAL 59 27.994 13.649 -3.634 1.00 0.00 ATOM 472 N LEU 60 28.620 12.978 -2.678 1.00 0.00 ATOM 473 CA LEU 60 28.145 11.663 -2.228 1.00 0.00 ATOM 474 CB LEU 60 29.326 10.915 -1.672 1.00 0.00 ATOM 475 CG LEU 60 30.648 10.888 -2.458 1.00 0.00 ATOM 476 CD1 LEU 60 31.555 9.753 -1.863 1.00 0.00 ATOM 477 CD2 LEU 60 30.490 10.729 -3.923 1.00 0.00 ATOM 478 O LEU 60 27.302 12.748 -0.352 1.00 0.00 ATOM 479 C LEU 60 27.082 11.880 -1.156 1.00 0.00 ATOM 480 N ILE 61 26.106 11.010 -0.939 1.00 0.00 ATOM 481 CA ILE 61 25.163 11.166 0.194 1.00 0.00 ATOM 482 CB ILE 61 24.061 10.089 0.088 1.00 0.00 ATOM 483 CG1 ILE 61 23.081 10.455 -1.029 1.00 0.00 ATOM 484 CG2 ILE 61 23.368 9.800 1.415 1.00 0.00 ATOM 485 CD1 ILE 61 22.102 9.320 -1.349 1.00 0.00 ATOM 486 O ILE 61 25.629 11.906 2.423 1.00 0.00 ATOM 487 C ILE 61 25.905 11.126 1.535 1.00 0.00 ATOM 488 N THR 62 26.859 10.157 1.730 1.00 0.00 ATOM 489 CA THR 62 27.557 10.088 3.011 1.00 0.00 ATOM 490 CB THR 62 28.580 8.971 3.099 1.00 0.00 ATOM 491 CG2 THR 62 29.266 8.985 4.473 1.00 0.00 ATOM 492 OG1 THR 62 27.888 7.715 3.006 1.00 0.00 ATOM 493 O THR 62 28.169 12.045 4.310 1.00 0.00 ATOM 494 C THR 62 28.350 11.377 3.299 1.00 0.00 ATOM 495 N GLU 63 28.944 11.890 2.221 1.00 0.00 ATOM 496 CA GLU 63 29.717 13.151 2.159 1.00 0.00 ATOM 497 CB GLU 63 30.358 13.155 0.767 1.00 0.00 ATOM 498 CG GLU 63 31.570 14.040 0.468 1.00 0.00 ATOM 499 CD GLU 63 31.892 14.063 -1.037 1.00 0.00 ATOM 500 OE1 GLU 63 32.711 14.908 -1.447 1.00 0.00 ATOM 501 OE2 GLU 63 31.202 13.368 -1.810 1.00 0.00 ATOM 502 O GLU 63 29.447 15.535 2.385 1.00 0.00 ATOM 503 C GLU 63 28.912 14.472 2.114 1.00 0.00 ATOM 504 N LEU 64 27.673 14.364 1.643 1.00 0.00 ATOM 505 CA LEU 64 26.830 15.467 1.166 1.00 0.00 ATOM 506 CB LEU 64 25.595 15.000 0.391 1.00 0.00 ATOM 507 CG LEU 64 24.526 16.088 0.225 1.00 0.00 ATOM 508 CD1 LEU 64 24.980 17.270 -0.642 1.00 0.00 ATOM 509 CD2 LEU 64 23.241 15.461 -0.288 1.00 0.00 ATOM 510 O LEU 64 25.962 17.528 2.101 1.00 0.00 ATOM 511 C LEU 64 26.306 16.356 2.271 1.00 0.00 ATOM 512 N ILE 65 25.998 15.644 3.333 1.00 0.00 ATOM 513 CA ILE 65 25.156 16.256 4.344 1.00 0.00 ATOM 514 CB ILE 65 24.425 15.188 5.148 1.00 0.00 ATOM 515 CG1 ILE 65 23.465 15.838 6.117 1.00 0.00 ATOM 516 CG2 ILE 65 25.428 14.289 5.844 1.00 0.00 ATOM 517 CD1 ILE 65 22.461 16.737 5.402 1.00 0.00 ATOM 518 O ILE 65 27.210 17.314 5.092 1.00 0.00 ATOM 519 C ILE 65 25.982 17.319 5.075 1.00 0.00 ATOM 520 N GLN 66 25.245 18.297 5.552 1.00 0.00 ATOM 521 CA GLN 66 25.790 19.408 6.353 1.00 0.00 ATOM 522 CB GLN 66 24.642 20.330 6.693 1.00 0.00 ATOM 523 CG GLN 66 24.182 21.098 5.473 1.00 0.00 ATOM 524 CD GLN 66 23.025 21.990 5.877 1.00 0.00 ATOM 525 OE1 GLN 66 22.667 22.291 7.001 1.00 0.00 ATOM 526 NE2 GLN 66 22.584 22.655 4.870 1.00 0.00 ATOM 527 O GLN 66 26.055 17.714 8.023 1.00 0.00 ATOM 528 C GLN 66 26.345 18.854 7.668 1.00 0.00 ATOM 529 N HIS 67 26.937 19.722 8.483 1.00 0.00 ATOM 530 CA HIS 67 27.514 19.294 9.777 1.00 0.00 ATOM 531 CB HIS 67 27.911 20.453 10.579 1.00 0.00 ATOM 532 CG HIS 67 28.851 20.088 11.654 1.00 0.00 ATOM 533 CD2 HIS 67 28.645 19.439 12.821 1.00 0.00 ATOM 534 ND1 HIS 67 30.204 20.330 11.569 1.00 0.00 ATOM 535 CE1 HIS 67 30.795 19.834 12.641 1.00 0.00 ATOM 536 NE2 HIS 67 29.875 19.288 13.421 1.00 0.00 ATOM 537 O HIS 67 26.978 17.357 11.073 1.00 0.00 ATOM 538 C HIS 67 26.587 18.437 10.649 1.00 0.00 ATOM 539 N SER 68 25.400 18.970 10.956 1.00 0.00 ATOM 540 CA SER 68 24.502 18.326 11.926 1.00 0.00 ATOM 541 CB SER 68 23.189 19.073 12.141 1.00 0.00 ATOM 542 OG SER 68 23.457 20.338 12.736 1.00 0.00 ATOM 543 O SER 68 24.373 15.938 12.118 1.00 0.00 ATOM 544 C SER 68 24.079 16.942 11.472 1.00 0.00 ATOM 545 N ALA 69 23.675 16.872 10.211 1.00 0.00 ATOM 546 CA ALA 69 23.196 15.582 9.726 1.00 0.00 ATOM 547 CB ALA 69 21.892 15.730 8.942 1.00 0.00 ATOM 548 O ALA 69 24.243 13.455 9.408 1.00 0.00 ATOM 549 C ALA 69 24.339 14.665 9.234 1.00 0.00 ATOM 550 N LYS 70 25.507 15.266 8.983 1.00 0.00 ATOM 551 CA LYS 70 26.790 14.542 8.770 1.00 0.00 ATOM 552 CB LYS 70 27.942 15.421 8.283 1.00 0.00 ATOM 553 CG LYS 70 29.059 14.577 7.676 1.00 0.00 ATOM 554 CD LYS 70 30.215 15.461 7.234 1.00 0.00 ATOM 555 CE LYS 70 31.453 14.603 6.966 1.00 0.00 ATOM 556 NZ LYS 70 32.545 15.492 6.587 1.00 0.00 ATOM 557 O LYS 70 27.832 12.738 9.923 1.00 0.00 ATOM 558 C LYS 70 27.242 13.802 10.022 1.00 0.00 ATOM 559 N HIS 71 26.870 14.324 11.187 1.00 0.00 ATOM 560 CA HIS 71 27.173 13.666 12.466 1.00 0.00 ATOM 561 CB HIS 71 26.711 14.504 13.655 1.00 0.00 ATOM 562 CG HIS 71 27.185 13.887 14.963 1.00 0.00 ATOM 563 CD2 HIS 71 26.407 13.355 15.904 1.00 0.00 ATOM 564 ND1 HIS 71 28.437 13.901 15.408 1.00 0.00 ATOM 565 CE1 HIS 71 28.458 13.349 16.620 1.00 0.00 ATOM 566 NE2 HIS 71 27.202 13.023 16.927 1.00 0.00 ATOM 567 O HIS 71 27.131 11.261 12.673 1.00 0.00 ATOM 568 C HIS 71 26.488 12.296 12.501 1.00 0.00 ATOM 569 N LYS 72 25.218 12.305 12.131 1.00 0.00 ATOM 570 CA LYS 72 24.468 11.053 12.019 1.00 0.00 ATOM 571 CB LYS 72 23.003 11.383 11.815 1.00 0.00 ATOM 572 CG LYS 72 22.362 11.984 13.041 1.00 0.00 ATOM 573 CD LYS 72 21.040 11.267 13.185 1.00 0.00 ATOM 574 CE LYS 72 20.810 11.183 14.661 1.00 0.00 ATOM 575 NZ LYS 72 20.621 9.795 15.071 1.00 0.00 ATOM 576 O LYS 72 25.214 8.955 11.133 1.00 0.00 ATOM 577 C LYS 72 25.018 10.148 10.901 1.00 0.00 ATOM 578 N VAL 73 25.379 10.757 9.777 1.00 0.00 ATOM 579 CA VAL 73 25.991 10.046 8.639 1.00 0.00 ATOM 580 CB VAL 73 26.095 10.961 7.408 1.00 0.00 ATOM 581 CG1 VAL 73 26.732 10.274 6.212 1.00 0.00 ATOM 582 CG2 VAL 73 24.703 11.287 6.905 1.00 0.00 ATOM 583 O VAL 73 27.904 8.709 8.143 1.00 0.00 ATOM 584 C VAL 73 27.377 9.457 8.944 1.00 0.00 ATOM 585 N ASP 74 28.053 9.971 9.965 1.00 0.00 ATOM 586 CA ASP 74 29.456 9.592 10.204 1.00 0.00 ATOM 587 CB ASP 74 30.092 10.581 11.183 1.00 0.00 ATOM 588 CG ASP 74 31.546 10.199 11.440 1.00 0.00 ATOM 589 OD1 ASP 74 32.420 10.566 10.609 1.00 0.00 ATOM 590 OD2 ASP 74 31.758 9.719 12.569 1.00 0.00 ATOM 591 O ASP 74 30.258 7.333 10.157 1.00 0.00 ATOM 592 C ASP 74 29.514 8.145 10.695 1.00 0.00 ATOM 593 N ILE 75 28.609 7.820 11.603 1.00 0.00 ATOM 594 CA ILE 75 28.352 6.405 11.951 1.00 0.00 ATOM 595 CB ILE 75 27.884 6.223 13.408 1.00 0.00 ATOM 596 CG1 ILE 75 28.802 6.962 14.394 1.00 0.00 ATOM 597 CG2 ILE 75 28.001 4.735 13.753 1.00 0.00 ATOM 598 CD1 ILE 75 28.172 7.144 15.783 1.00 0.00 ATOM 599 O ILE 75 26.216 5.536 11.183 1.00 0.00 ATOM 600 C ILE 75 27.371 5.839 10.905 1.00 0.00 ATOM 601 N ASP 76 27.846 5.881 9.663 1.00 0.00 ATOM 602 CA ASP 76 27.205 5.211 8.525 1.00 0.00 ATOM 603 CB ASP 76 27.328 6.028 7.222 1.00 0.00 ATOM 604 CG ASP 76 28.756 6.063 6.657 1.00 0.00 ATOM 605 OD1 ASP 76 29.690 6.345 7.427 1.00 0.00 ATOM 606 OD2 ASP 76 28.907 5.589 5.507 1.00 0.00 ATOM 607 O ASP 76 28.522 3.323 9.297 1.00 0.00 ATOM 608 C ASP 76 27.918 3.864 8.364 1.00 0.00 ATOM 609 N CYS 77 27.729 3.302 7.175 1.00 0.00 ATOM 610 CA CYS 77 28.168 1.938 6.822 1.00 0.00 ATOM 611 CB CYS 77 29.672 1.897 6.586 1.00 0.00 ATOM 612 SG CYS 77 30.071 2.641 4.955 1.00 0.00 ATOM 613 O CYS 77 28.392 0.089 8.408 1.00 0.00 ATOM 614 C CYS 77 27.694 0.964 7.899 1.00 0.00 ATOM 615 N SER 78 26.500 1.301 8.364 1.00 0.00 ATOM 616 CA SER 78 25.786 0.477 9.324 1.00 0.00 ATOM 617 CB SER 78 24.586 1.308 9.790 1.00 0.00 ATOM 618 OG SER 78 23.636 1.457 8.753 1.00 0.00 ATOM 619 O SER 78 25.638 -0.958 7.410 1.00 0.00 ATOM 620 C SER 78 25.354 -0.790 8.596 1.00 0.00 ATOM 621 N GLN 79 24.761 -1.726 9.331 1.00 0.00 ATOM 622 CA GLN 79 24.295 -2.999 8.734 1.00 0.00 ATOM 623 CB GLN 79 23.610 -3.862 9.787 1.00 0.00 ATOM 624 CG GLN 79 23.366 -5.292 9.319 1.00 0.00 ATOM 625 CD GLN 79 24.657 -6.051 9.054 1.00 0.00 ATOM 626 OE1 GLN 79 25.456 -6.278 9.963 1.00 0.00 ATOM 627 NE2 GLN 79 24.868 -6.445 7.800 1.00 0.00 ATOM 628 O GLN 79 23.487 -3.392 6.504 1.00 0.00 ATOM 629 C GLN 79 23.374 -2.733 7.539 1.00 0.00 ATOM 630 N LYS 80 22.470 -1.769 7.685 1.00 0.00 ATOM 631 CA LYS 80 21.545 -1.431 6.609 1.00 0.00 ATOM 632 CB LYS 80 20.218 -2.157 6.806 1.00 0.00 ATOM 633 CG LYS 80 20.416 -3.647 6.576 1.00 0.00 ATOM 634 CD LYS 80 19.109 -4.337 6.877 1.00 0.00 ATOM 635 CE LYS 80 19.281 -5.751 6.399 1.00 0.00 ATOM 636 NZ LYS 80 17.971 -6.390 6.492 1.00 0.00 ATOM 637 O LYS 80 21.226 0.724 7.633 1.00 0.00 ATOM 638 C LYS 80 21.262 0.061 6.595 1.00 0.00 ATOM 639 N VAL 81 21.060 0.541 5.384 1.00 0.00 ATOM 640 CA VAL 81 20.616 1.937 5.205 1.00 0.00 ATOM 641 CB VAL 81 21.508 2.686 4.206 1.00 0.00 ATOM 642 CG1 VAL 81 21.069 4.147 4.050 1.00 0.00 ATOM 643 CG2 VAL 81 22.969 2.676 4.622 1.00 0.00 ATOM 644 O VAL 81 18.792 0.961 3.969 1.00 0.00 ATOM 645 C VAL 81 19.157 1.848 4.749 1.00 0.00 ATOM 646 N VAL 82 18.326 2.587 5.460 1.00 0.00 ATOM 647 CA VAL 82 16.892 2.644 5.127 1.00 0.00 ATOM 648 CB VAL 82 15.993 2.266 6.318 1.00 0.00 ATOM 649 CG1 VAL 82 14.499 2.341 5.975 1.00 0.00 ATOM 650 CG2 VAL 82 16.308 0.837 6.758 1.00 0.00 ATOM 651 O VAL 82 17.101 5.059 5.035 1.00 0.00 ATOM 652 C VAL 82 16.603 4.030 4.577 1.00 0.00 ATOM 653 N VAL 83 15.887 3.962 3.467 1.00 0.00 ATOM 654 CA VAL 83 15.412 5.156 2.761 1.00 0.00 ATOM 655 CB VAL 83 15.805 5.091 1.281 1.00 0.00 ATOM 656 CG1 VAL 83 17.318 5.189 1.098 1.00 0.00 ATOM 657 CG2 VAL 83 15.249 3.828 0.619 1.00 0.00 ATOM 658 O VAL 83 13.161 4.279 3.013 1.00 0.00 ATOM 659 C VAL 83 13.894 5.280 2.934 1.00 0.00 ATOM 660 N TYR 84 13.459 6.525 3.040 1.00 0.00 ATOM 661 CA TYR 84 12.050 6.855 3.254 1.00 0.00 ATOM 662 CB TYR 84 11.919 7.818 4.427 1.00 0.00 ATOM 663 CG TYR 84 12.156 7.088 5.732 1.00 0.00 ATOM 664 CD1 TYR 84 13.440 6.764 6.124 1.00 0.00 ATOM 665 CD2 TYR 84 11.075 6.759 6.531 1.00 0.00 ATOM 666 CE1 TYR 84 13.653 6.105 7.311 1.00 0.00 ATOM 667 CE2 TYR 84 11.292 6.099 7.737 1.00 0.00 ATOM 668 CZ TYR 84 12.581 5.775 8.122 1.00 0.00 ATOM 669 OH TYR 84 12.808 5.157 9.305 1.00 0.00 ATOM 670 O TYR 84 12.057 8.061 1.156 1.00 0.00 ATOM 671 C TYR 84 11.409 7.535 2.060 1.00 0.00 ATOM 672 N ASP 85 10.094 7.412 2.082 1.00 0.00 ATOM 673 CA ASP 85 9.203 8.232 1.268 1.00 0.00 ATOM 674 CB ASP 85 8.816 7.404 0.042 1.00 0.00 ATOM 675 CG ASP 85 8.584 8.315 -1.159 1.00 0.00 ATOM 676 OD1 ASP 85 7.867 9.320 -0.987 1.00 0.00 ATOM 677 OD2 ASP 85 9.154 8.044 -2.228 1.00 0.00 ATOM 678 O ASP 85 7.863 8.102 3.253 1.00 0.00 ATOM 679 C ASP 85 8.000 8.593 2.131 1.00 0.00 ATOM 680 N GLN 86 7.128 9.450 1.607 1.00 0.00 ATOM 681 CA GLN 86 5.916 9.874 2.352 1.00 0.00 ATOM 682 CB GLN 86 5.074 10.848 1.538 1.00 0.00 ATOM 683 CG GLN 86 5.789 12.173 1.365 1.00 0.00 ATOM 684 CD GLN 86 4.960 13.118 0.495 1.00 0.00 ATOM 685 OE1 GLN 86 3.950 12.808 -0.105 1.00 0.00 ATOM 686 NE2 GLN 86 5.433 14.325 0.443 1.00 0.00 ATOM 687 O GLN 86 4.753 8.369 3.810 1.00 0.00 ATOM 688 C GLN 86 5.047 8.650 2.646 1.00 0.00 ATOM 689 N SER 87 4.861 7.854 1.516 1.00 0.00 ATOM 690 CA SER 87 3.961 6.677 1.564 1.00 0.00 ATOM 691 CB SER 87 2.491 7.129 1.592 1.00 0.00 ATOM 692 OG SER 87 2.279 8.004 0.489 1.00 0.00 ATOM 693 O SER 87 3.332 4.773 0.214 1.00 0.00 ATOM 694 C SER 87 4.161 5.652 0.438 1.00 0.00 ATOM 695 N SER 88 5.384 5.656 -0.077 1.00 0.00 ATOM 696 CA SER 88 5.712 4.840 -1.249 1.00 0.00 ATOM 697 CB SER 88 6.752 5.513 -2.154 1.00 0.00 ATOM 698 OG SER 88 6.156 6.655 -2.758 1.00 0.00 ATOM 699 O SER 88 7.221 3.198 -0.328 1.00 0.00 ATOM 700 C SER 88 6.138 3.439 -0.857 1.00 0.00 ATOM 701 N GLN 89 5.236 2.512 -1.169 1.00 0.00 ATOM 702 CA GLN 89 5.604 1.090 -1.168 1.00 0.00 ATOM 703 CB GLN 89 4.338 0.198 -1.043 1.00 0.00 ATOM 704 CG GLN 89 3.497 0.583 0.221 1.00 0.00 ATOM 705 CD GLN 89 2.349 -0.366 0.453 1.00 0.00 ATOM 706 OE1 GLN 89 1.352 -0.377 -0.293 1.00 0.00 ATOM 707 NE2 GLN 89 2.485 -1.172 1.459 1.00 0.00 ATOM 708 O GLN 89 6.428 -0.454 -2.855 1.00 0.00 ATOM 709 C GLN 89 6.286 0.721 -2.510 1.00 0.00 ATOM 710 N ASP 90 6.854 1.742 -3.131 1.00 0.00 ATOM 711 CA ASP 90 7.422 1.732 -4.489 1.00 0.00 ATOM 712 CB ASP 90 7.891 3.160 -4.844 1.00 0.00 ATOM 713 CG ASP 90 6.786 4.163 -5.168 1.00 0.00 ATOM 714 OD1 ASP 90 5.579 3.818 -5.024 1.00 0.00 ATOM 715 OD2 ASP 90 7.171 5.295 -5.495 1.00 0.00 ATOM 716 O ASP 90 8.244 -0.362 -5.370 1.00 0.00 ATOM 717 C ASP 90 8.506 0.683 -4.762 1.00 0.00 ATOM 718 N VAL 91 9.750 0.977 -4.399 1.00 0.00 ATOM 719 CA VAL 91 10.929 0.132 -4.688 1.00 0.00 ATOM 720 CB VAL 91 10.809 -1.304 -4.076 1.00 0.00 ATOM 721 CG1 VAL 91 12.068 -2.145 -4.284 1.00 0.00 ATOM 722 CG2 VAL 91 10.490 -1.302 -2.579 1.00 0.00 ATOM 723 O VAL 91 11.771 0.985 -6.790 1.00 0.00 ATOM 724 C VAL 91 11.184 0.076 -6.213 1.00 0.00 ATOM 725 N ALA 92 10.711 -0.974 -6.880 1.00 0.00 ATOM 726 CA ALA 92 10.807 -1.130 -8.359 1.00 0.00 ATOM 727 CB ALA 92 10.368 -2.541 -8.779 1.00 0.00 ATOM 728 O ALA 92 10.348 0.426 -10.126 1.00 0.00 ATOM 729 C ALA 92 9.939 -0.120 -9.100 1.00 0.00 ATOM 730 N SER 93 8.742 0.129 -8.580 1.00 0.00 ATOM 731 CA SER 93 7.812 1.093 -9.209 1.00 0.00 ATOM 732 CB SER 93 6.426 1.057 -8.565 1.00 0.00 ATOM 733 OG SER 93 6.573 1.439 -7.208 1.00 0.00 ATOM 734 O SER 93 7.923 3.362 -10.016 1.00 0.00 ATOM 735 C SER 93 8.387 2.523 -9.243 1.00 0.00 ATOM 736 N LEU 94 9.442 2.763 -8.470 1.00 0.00 ATOM 737 CA LEU 94 10.065 4.081 -8.428 1.00 0.00 ATOM 738 CB LEU 94 11.160 4.098 -7.377 1.00 0.00 ATOM 739 CG LEU 94 10.719 4.538 -6.004 1.00 0.00 ATOM 740 CD1 LEU 94 11.944 4.381 -5.134 1.00 0.00 ATOM 741 CD2 LEU 94 10.225 5.985 -5.982 1.00 0.00 ATOM 742 O LEU 94 11.757 3.963 -10.146 1.00 0.00 ATOM 743 C LEU 94 10.699 4.458 -9.760 1.00 0.00 ATOM 744 N SER 95 10.138 5.525 -10.306 1.00 0.00 ATOM 745 CA SER 95 10.682 6.121 -11.529 1.00 0.00 ATOM 746 CB SER 95 9.661 7.054 -12.169 1.00 0.00 ATOM 747 OG SER 95 9.488 8.223 -11.392 1.00 0.00 ATOM 748 O SER 95 12.204 7.307 -10.091 1.00 0.00 ATOM 749 C SER 95 11.965 6.889 -11.220 1.00 0.00 ATOM 750 N SER 96 12.801 7.054 -12.236 1.00 0.00 ATOM 751 CA SER 96 14.103 7.741 -12.101 1.00 0.00 ATOM 752 CB SER 96 14.840 7.818 -13.385 1.00 0.00 ATOM 753 OG SER 96 14.137 8.542 -14.375 1.00 0.00 ATOM 754 O SER 96 14.885 9.642 -10.852 1.00 0.00 ATOM 755 C SER 96 14.006 9.178 -11.567 1.00 0.00 ATOM 756 N ASP 97 12.908 9.843 -11.911 1.00 0.00 ATOM 757 CA ASP 97 12.705 11.253 -11.536 1.00 0.00 ATOM 758 CB ASP 97 11.461 11.805 -12.310 1.00 0.00 ATOM 759 CG ASP 97 11.595 11.747 -13.798 1.00 0.00 ATOM 760 OD1 ASP 97 12.732 11.713 -14.316 1.00 0.00 ATOM 761 OD2 ASP 97 10.588 11.744 -14.541 1.00 0.00 ATOM 762 O ASP 97 12.968 12.527 -9.524 1.00 0.00 ATOM 763 C ASP 97 12.568 11.471 -10.017 1.00 0.00 ATOM 764 N CYS 98 12.080 10.433 -9.332 1.00 0.00 ATOM 765 CA CYS 98 11.811 10.483 -7.887 1.00 0.00 ATOM 766 CB CYS 98 11.086 9.231 -7.410 1.00 0.00 ATOM 767 SG CYS 98 10.471 9.408 -5.688 1.00 0.00 ATOM 768 O CYS 98 14.140 10.017 -7.416 1.00 0.00 ATOM 769 C CYS 98 13.121 10.627 -7.105 1.00 0.00 ATOM 770 N PHE 99 13.055 11.448 -6.064 1.00 0.00 ATOM 771 CA PHE 99 14.217 11.678 -5.168 1.00 0.00 ATOM 772 CB PHE 99 13.913 12.693 -4.079 1.00 0.00 ATOM 773 CG PHE 99 13.591 14.065 -4.648 1.00 0.00 ATOM 774 CD1 PHE 99 14.034 14.429 -5.920 1.00 0.00 ATOM 775 CD2 PHE 99 12.893 14.964 -3.867 1.00 0.00 ATOM 776 CE1 PHE 99 13.764 15.693 -6.397 1.00 0.00 ATOM 777 CE2 PHE 99 12.632 16.241 -4.349 1.00 0.00 ATOM 778 CZ PHE 99 13.062 16.599 -5.620 1.00 0.00 ATOM 779 O PHE 99 15.841 10.194 -4.224 1.00 0.00 ATOM 780 C PHE 99 14.658 10.403 -4.466 1.00 0.00 ATOM 781 N LEU 100 13.668 9.585 -4.157 1.00 0.00 ATOM 782 CA LEU 100 13.992 8.328 -3.505 1.00 0.00 ATOM 783 CB LEU 100 12.682 7.645 -3.151 1.00 0.00 ATOM 784 CG LEU 100 12.883 6.372 -2.343 1.00 0.00 ATOM 785 CD1 LEU 100 13.674 6.589 -1.049 1.00 0.00 ATOM 786 CD2 LEU 100 11.496 5.849 -2.038 1.00 0.00 ATOM 787 O LEU 100 16.068 7.381 -4.112 1.00 0.00 ATOM 788 C LEU 100 14.891 7.521 -4.436 1.00 0.00 ATOM 789 N THR 101 14.495 7.428 -5.705 1.00 0.00 ATOM 790 CA THR 101 15.273 6.730 -6.755 1.00 0.00 ATOM 791 CB THR 101 14.582 6.810 -8.130 1.00 0.00 ATOM 792 CG2 THR 101 15.356 6.082 -9.236 1.00 0.00 ATOM 793 OG1 THR 101 13.288 6.244 -7.970 1.00 0.00 ATOM 794 O THR 101 17.643 6.588 -7.101 1.00 0.00 ATOM 795 C THR 101 16.669 7.321 -6.926 1.00 0.00 ATOM 796 N VAL 102 16.763 8.645 -6.877 1.00 0.00 ATOM 797 CA VAL 102 18.064 9.333 -7.028 1.00 0.00 ATOM 798 CB VAL 102 17.884 10.860 -7.114 1.00 0.00 ATOM 799 CG1 VAL 102 19.229 11.595 -7.187 1.00 0.00 ATOM 800 CG2 VAL 102 17.065 11.239 -8.346 1.00 0.00 ATOM 801 O VAL 102 20.131 8.505 -6.090 1.00 0.00 ATOM 802 C VAL 102 18.999 8.933 -5.861 1.00 0.00 ATOM 803 N LEU 103 18.517 9.073 -4.630 1.00 0.00 ATOM 804 CA LEU 103 19.315 8.722 -3.461 1.00 0.00 ATOM 805 CB LEU 103 18.549 9.147 -2.182 1.00 0.00 ATOM 806 CG LEU 103 18.335 10.660 -2.007 1.00 0.00 ATOM 807 CD1 LEU 103 17.577 10.881 -0.693 1.00 0.00 ATOM 808 CD2 LEU 103 19.653 11.402 -1.999 1.00 0.00 ATOM 809 O LEU 103 20.748 6.840 -2.983 1.00 0.00 ATOM 810 C LEU 103 19.670 7.221 -3.444 1.00 0.00 ATOM 811 N LEU 104 18.766 6.385 -3.943 1.00 0.00 ATOM 812 CA LEU 104 19.003 4.946 -3.977 1.00 0.00 ATOM 813 CB LEU 104 17.728 4.292 -4.472 1.00 0.00 ATOM 814 CG LEU 104 16.654 4.579 -3.428 1.00 0.00 ATOM 815 CD1 LEU 104 15.268 4.420 -3.991 1.00 0.00 ATOM 816 CD2 LEU 104 16.861 3.645 -2.257 1.00 0.00 ATOM 817 O LEU 104 21.049 3.820 -4.531 1.00 0.00 ATOM 818 C LEU 104 20.158 4.586 -4.906 1.00 0.00 ATOM 819 N GLY 105 20.144 5.136 -6.116 1.00 0.00 ATOM 820 CA GLY 105 21.200 4.863 -7.084 1.00 0.00 ATOM 821 O GLY 105 23.527 4.576 -6.575 1.00 0.00 ATOM 822 C GLY 105 22.538 5.306 -6.502 1.00 0.00 ATOM 823 N LYS 106 22.567 6.503 -5.926 1.00 0.00 ATOM 824 CA LYS 106 23.806 7.038 -5.325 1.00 0.00 ATOM 825 CB LYS 106 23.564 8.474 -4.880 1.00 0.00 ATOM 826 CG LYS 106 24.857 9.183 -4.426 1.00 0.00 ATOM 827 CD LYS 106 25.841 9.361 -5.580 1.00 0.00 ATOM 828 CE LYS 106 27.041 10.131 -5.059 1.00 0.00 ATOM 829 NZ LYS 106 28.031 10.469 -6.064 1.00 0.00 ATOM 830 O LYS 106 25.520 6.083 -3.910 1.00 0.00 ATOM 831 C LYS 106 24.312 6.231 -4.100 1.00 0.00 ATOM 832 N LEU 107 23.387 5.720 -3.292 1.00 0.00 ATOM 833 CA LEU 107 23.758 4.943 -2.115 1.00 0.00 ATOM 834 CB LEU 107 22.528 4.693 -1.269 1.00 0.00 ATOM 835 CG LEU 107 21.893 5.898 -0.552 1.00 0.00 ATOM 836 CD1 LEU 107 20.634 5.472 0.154 1.00 0.00 ATOM 837 CD2 LEU 107 22.852 6.587 0.395 1.00 0.00 ATOM 838 O LEU 107 25.461 3.246 -1.980 1.00 0.00 ATOM 839 C LEU 107 24.402 3.612 -2.485 1.00 0.00 ATOM 840 N GLU 108 23.868 3.017 -3.542 1.00 0.00 ATOM 841 CA GLU 108 24.525 1.851 -4.161 1.00 0.00 ATOM 842 CB GLU 108 23.828 1.327 -5.352 1.00 0.00 ATOM 843 CG GLU 108 24.438 0.040 -5.894 1.00 0.00 ATOM 844 CD GLU 108 23.668 -0.534 -7.071 1.00 0.00 ATOM 845 OE1 GLU 108 23.453 0.199 -8.061 1.00 0.00 ATOM 846 OE2 GLU 108 23.289 -1.724 -7.010 1.00 0.00 ATOM 847 O GLU 108 26.905 1.588 -4.298 1.00 0.00 ATOM 848 C GLU 108 25.929 2.292 -4.560 1.00 0.00 ATOM 849 N LYS 109 26.029 3.457 -5.191 1.00 0.00 ATOM 850 CA LYS 109 27.358 4.004 -5.635 1.00 0.00 ATOM 851 CB LYS 109 27.218 5.319 -6.381 1.00 0.00 ATOM 852 CG LYS 109 26.511 5.178 -7.708 1.00 0.00 ATOM 853 CD LYS 109 26.347 6.530 -8.336 1.00 0.00 ATOM 854 CE LYS 109 25.461 6.300 -9.535 1.00 0.00 ATOM 855 NZ LYS 109 25.277 7.563 -10.206 1.00 0.00 ATOM 856 O LYS 109 29.488 4.291 -4.592 1.00 0.00 ATOM 857 C LYS 109 28.264 4.271 -4.456 1.00 0.00 ATOM 858 N SER 110 27.664 4.478 -3.288 1.00 0.00 ATOM 859 CA SER 110 28.436 4.743 -2.079 1.00 0.00 ATOM 860 CB SER 110 27.730 5.729 -1.167 1.00 0.00 ATOM 861 OG SER 110 26.407 5.409 -0.760 1.00 0.00 ATOM 862 O SER 110 28.913 3.399 -0.139 1.00 0.00 ATOM 863 C SER 110 28.705 3.425 -1.344 1.00 0.00 ATOM 864 N PHE 111 28.577 2.319 -2.068 1.00 0.00 ATOM 865 CA PHE 111 28.876 0.969 -1.554 1.00 0.00 ATOM 866 CB PHE 111 30.308 0.875 -1.022 1.00 0.00 ATOM 867 CG PHE 111 31.320 1.410 -2.025 1.00 0.00 ATOM 868 CD1 PHE 111 31.853 2.668 -1.921 1.00 0.00 ATOM 869 CD2 PHE 111 31.725 0.597 -3.047 1.00 0.00 ATOM 870 CE1 PHE 111 32.817 3.132 -2.809 1.00 0.00 ATOM 871 CE2 PHE 111 32.685 1.033 -3.936 1.00 0.00 ATOM 872 CZ PHE 111 33.247 2.295 -3.829 1.00 0.00 ATOM 873 O PHE 111 28.307 0.081 0.649 1.00 0.00 ATOM 874 C PHE 111 27.914 0.587 -0.416 1.00 0.00 ATOM 875 N ASN 112 26.668 0.983 -0.570 1.00 0.00 ATOM 876 CA ASN 112 25.622 0.549 0.372 1.00 0.00 ATOM 877 CB ASN 112 25.148 1.627 1.340 1.00 0.00 ATOM 878 CG ASN 112 26.289 2.213 2.172 1.00 0.00 ATOM 879 ND2 ASN 112 26.567 3.438 1.876 1.00 0.00 ATOM 880 OD1 ASN 112 26.959 1.631 3.011 1.00 0.00 ATOM 881 O ASN 112 24.126 0.409 -1.522 1.00 0.00 ATOM 882 C ASN 112 24.468 -0.035 -0.425 1.00 0.00 ATOM 883 N SER 113 23.939 -1.087 0.179 1.00 0.00 ATOM 884 CA SER 113 22.709 -1.736 -0.278 1.00 0.00 ATOM 885 CB SER 113 22.925 -3.251 -0.283 1.00 0.00 ATOM 886 OG SER 113 21.712 -3.933 -0.561 1.00 0.00 ATOM 887 O SER 113 21.637 -1.491 1.813 1.00 0.00 ATOM 888 C SER 113 21.554 -1.258 0.591 1.00 0.00 ATOM 889 N VAL 114 20.647 -0.492 0.049 1.00 0.00 ATOM 890 CA VAL 114 19.682 0.207 0.866 1.00 0.00 ATOM 891 CB VAL 114 19.594 1.710 0.558 1.00 0.00 ATOM 892 CG1 VAL 114 20.915 2.376 0.893 1.00 0.00 ATOM 893 CG2 VAL 114 19.307 1.977 -0.923 1.00 0.00 ATOM 894 O VAL 114 17.925 -0.877 -0.372 1.00 0.00 ATOM 895 C VAL 114 18.306 -0.439 0.707 1.00 0.00 ATOM 896 N HIS 115 17.580 -0.401 1.812 1.00 0.00 ATOM 897 CA HIS 115 16.196 -0.881 1.850 1.00 0.00 ATOM 898 CB HIS 115 15.915 -1.452 3.224 1.00 0.00 ATOM 899 CG HIS 115 16.524 -2.803 3.412 1.00 0.00 ATOM 900 CD2 HIS 115 17.799 -3.239 3.301 1.00 0.00 ATOM 901 ND1 HIS 115 15.787 -3.880 3.843 1.00 0.00 ATOM 902 CE1 HIS 115 16.573 -4.935 3.934 1.00 0.00 ATOM 903 NE2 HIS 115 17.804 -4.571 3.622 1.00 0.00 ATOM 904 O HIS 115 15.481 1.282 2.544 1.00 0.00 ATOM 905 C HIS 115 15.269 0.312 1.818 1.00 0.00 ATOM 906 N LEU 116 14.099 0.044 1.247 1.00 0.00 ATOM 907 CA LEU 116 13.017 1.028 1.290 1.00 0.00 ATOM 908 CB LEU 116 12.344 1.217 -0.078 1.00 0.00 ATOM 909 CG LEU 116 11.230 2.261 -0.077 1.00 0.00 ATOM 910 CD1 LEU 116 11.693 3.620 0.435 1.00 0.00 ATOM 911 CD2 LEU 116 10.680 2.400 -1.501 1.00 0.00 ATOM 912 O LEU 116 11.432 -0.489 2.250 1.00 0.00 ATOM 913 C LEU 116 11.947 0.627 2.299 1.00 0.00 ATOM 914 N LEU 117 11.605 1.588 3.150 1.00 0.00 ATOM 915 CA LEU 117 10.499 1.412 4.113 1.00 0.00 ATOM 916 CB LEU 117 10.377 2.629 5.029 1.00 0.00 ATOM 917 CG LEU 117 9.350 2.392 6.151 1.00 0.00 ATOM 918 CD1 LEU 117 9.849 1.313 7.101 1.00 0.00 ATOM 919 CD2 LEU 117 9.074 3.682 6.901 1.00 0.00 ATOM 920 O LEU 117 8.758 2.099 2.621 1.00 0.00 ATOM 921 C LEU 117 9.192 1.203 3.347 1.00 0.00 ATOM 922 N ALA 118 8.638 0.004 3.439 1.00 0.00 ATOM 923 CA ALA 118 7.341 -0.304 2.805 1.00 0.00 ATOM 924 CB ALA 118 7.009 -1.786 2.939 1.00 0.00 ATOM 925 O ALA 118 6.195 0.670 4.660 1.00 0.00 ATOM 926 C ALA 118 6.297 0.602 3.438 1.00 0.00 ATOM 927 N GLY 119 5.577 1.352 2.550 1.00 0.00 ATOM 928 CA GLY 119 4.593 2.322 3.012 1.00 0.00 ATOM 929 O GLY 119 4.364 4.608 3.666 1.00 0.00 ATOM 930 C GLY 119 5.136 3.663 3.433 1.00 0.00 ATOM 931 N GLY 120 6.473 3.813 3.588 1.00 0.00 ATOM 932 CA GLY 120 7.103 5.081 3.909 1.00 0.00 ATOM 933 O GLY 120 6.310 4.828 6.207 1.00 0.00 ATOM 934 C GLY 120 6.733 5.569 5.320 1.00 0.00 ATOM 935 N PHE 121 6.713 6.892 5.421 1.00 0.00 ATOM 936 CA PHE 121 6.527 7.615 6.698 1.00 0.00 ATOM 937 CB PHE 121 7.058 9.047 6.526 1.00 0.00 ATOM 938 CG PHE 121 6.959 9.880 7.799 1.00 0.00 ATOM 939 CD1 PHE 121 7.896 9.729 8.818 1.00 0.00 ATOM 940 CD2 PHE 121 5.912 10.775 7.939 1.00 0.00 ATOM 941 CE1 PHE 121 7.761 10.468 9.993 1.00 0.00 ATOM 942 CE2 PHE 121 5.790 11.520 9.112 1.00 0.00 ATOM 943 CZ PHE 121 6.715 11.363 10.134 1.00 0.00 ATOM 944 O PHE 121 4.904 7.472 8.459 1.00 0.00 ATOM 945 C PHE 121 5.107 7.531 7.245 1.00 0.00 ATOM 946 N ALA 122 4.124 7.526 6.350 1.00 0.00 ATOM 947 CA ALA 122 2.674 7.444 6.761 1.00 0.00 ATOM 948 CB ALA 122 1.755 7.554 5.530 1.00 0.00 ATOM 949 O ALA 122 1.900 6.100 8.559 1.00 0.00 ATOM 950 C ALA 122 2.452 6.112 7.474 1.00 0.00 ATOM 951 N GLU 123 2.920 5.017 6.861 1.00 0.00 ATOM 952 CA GLU 123 2.808 3.688 7.550 1.00 0.00 ATOM 953 CB GLU 123 3.418 2.635 6.635 1.00 0.00 ATOM 954 CG GLU 123 3.054 1.200 7.044 1.00 0.00 ATOM 955 CD GLU 123 3.710 0.193 6.102 1.00 0.00 ATOM 956 OE1 GLU 123 3.507 0.281 4.875 1.00 0.00 ATOM 957 OE2 GLU 123 4.360 -0.731 6.638 1.00 0.00 ATOM 958 O GLU 123 2.984 3.280 9.911 1.00 0.00 ATOM 959 C GLU 123 3.532 3.712 8.895 1.00 0.00 ATOM 960 N PHE 124 4.762 4.219 8.900 1.00 0.00 ATOM 961 CA PHE 124 5.543 4.293 10.129 1.00 0.00 ATOM 962 CB PHE 124 6.893 4.932 9.790 1.00 0.00 ATOM 963 CG PHE 124 7.765 4.953 11.044 1.00 0.00 ATOM 964 CD1 PHE 124 8.602 3.892 11.296 1.00 0.00 ATOM 965 CD2 PHE 124 7.645 5.973 11.988 1.00 0.00 ATOM 966 CE1 PHE 124 9.323 3.835 12.486 1.00 0.00 ATOM 967 CE2 PHE 124 8.357 5.917 13.168 1.00 0.00 ATOM 968 CZ PHE 124 9.212 4.846 13.411 1.00 0.00 ATOM 969 O PHE 124 4.840 4.761 12.375 1.00 0.00 ATOM 970 C PHE 124 4.871 5.141 11.204 1.00 0.00 ATOM 971 N SER 125 4.333 6.289 10.805 1.00 0.00 ATOM 972 CA SER 125 3.647 7.200 11.759 1.00 0.00 ATOM 973 CB SER 125 3.242 8.514 11.085 1.00 0.00 ATOM 974 OG SER 125 2.344 8.245 10.006 1.00 0.00 ATOM 975 O SER 125 2.255 6.641 13.654 1.00 0.00 ATOM 976 C SER 125 2.433 6.521 12.442 1.00 0.00 ATOM 977 N ARG 126 1.621 5.818 11.660 1.00 0.00 ATOM 978 CA ARG 126 0.451 5.138 12.202 1.00 0.00 ATOM 979 CB ARG 126 -0.383 4.517 11.131 1.00 0.00 ATOM 980 CG ARG 126 -1.712 4.009 11.652 1.00 0.00 ATOM 981 CD ARG 126 -2.534 3.424 10.533 1.00 0.00 ATOM 982 NE ARG 126 -3.015 4.470 9.642 1.00 0.00 ATOM 983 CZ ARG 126 -2.710 4.552 8.353 1.00 0.00 ATOM 984 NH1 ARG 126 -1.919 3.643 7.799 1.00 0.00 ATOM 985 NH2 ARG 126 -3.208 5.538 7.618 1.00 0.00 ATOM 986 O ARG 126 0.300 3.956 14.283 1.00 0.00 ATOM 987 C ARG 126 0.837 4.029 13.177 1.00 0.00 ATOM 988 N CYS 127 1.867 3.264 12.829 1.00 0.00 ATOM 989 CA CYS 127 2.324 2.176 13.687 1.00 0.00 ATOM 990 CB CYS 127 3.248 1.312 12.831 1.00 0.00 ATOM 991 SG CYS 127 2.273 0.275 11.692 1.00 0.00 ATOM 992 O CYS 127 2.806 2.225 16.057 1.00 0.00 ATOM 993 C CYS 127 3.064 2.674 14.936 1.00 0.00 ATOM 994 N PHE 128 4.081 3.469 14.685 1.00 0.00 ATOM 995 CA PHE 128 4.990 3.939 15.751 1.00 0.00 ATOM 996 CB PHE 128 6.351 3.255 15.643 1.00 0.00 ATOM 997 CG PHE 128 6.242 1.737 15.595 1.00 0.00 ATOM 998 CD1 PHE 128 6.256 1.114 14.356 1.00 0.00 ATOM 999 CD2 PHE 128 6.116 0.987 16.751 1.00 0.00 ATOM 1000 CE1 PHE 128 6.170 -0.270 14.277 1.00 0.00 ATOM 1001 CE2 PHE 128 6.032 -0.396 16.671 1.00 0.00 ATOM 1002 CZ PHE 128 6.061 -1.022 15.435 1.00 0.00 ATOM 1003 O PHE 128 6.244 5.992 15.572 1.00 0.00 ATOM 1004 C PHE 128 5.127 5.469 15.749 1.00 0.00 ATOM 1005 N PRO 129 4.059 6.189 16.097 1.00 0.00 ATOM 1006 CA PRO 129 4.135 7.656 16.267 1.00 0.00 ATOM 1007 CB PRO 129 2.693 8.073 16.531 1.00 0.00 ATOM 1008 CG PRO 129 2.060 6.872 17.222 1.00 0.00 ATOM 1009 CD PRO 129 2.747 5.680 16.554 1.00 0.00 ATOM 1010 O PRO 129 5.799 8.974 17.390 1.00 0.00 ATOM 1011 C PRO 129 5.130 7.945 17.391 1.00 0.00 ATOM 1012 N GLY 130 5.244 6.975 18.380 1.00 0.00 ATOM 1013 CA GLY 130 6.151 7.142 19.502 1.00 0.00 ATOM 1014 O GLY 130 8.484 7.456 19.972 1.00 0.00 ATOM 1015 C GLY 130 7.650 7.083 19.158 1.00 0.00 ATOM 1016 N LEU 131 7.958 6.648 17.949 1.00 0.00 ATOM 1017 CA LEU 131 9.354 6.587 17.484 1.00 0.00 ATOM 1018 CB LEU 131 9.633 5.260 16.795 1.00 0.00 ATOM 1019 CG LEU 131 9.536 3.996 17.641 1.00 0.00 ATOM 1020 CD1 LEU 131 10.001 2.860 16.752 1.00 0.00 ATOM 1021 CD2 LEU 131 10.433 4.042 18.886 1.00 0.00 ATOM 1022 O LEU 131 10.651 7.660 15.726 1.00 0.00 ATOM 1023 C LEU 131 9.713 7.748 16.529 1.00 0.00 ATOM 1024 N CYS 132 8.957 8.825 16.648 1.00 0.00 ATOM 1025 CA CYS 132 9.118 10.019 15.804 1.00 0.00 ATOM 1026 CB CYS 132 7.773 10.439 15.205 1.00 0.00 ATOM 1027 SG CYS 132 6.974 9.037 14.350 1.00 0.00 ATOM 1028 O CYS 132 9.708 11.257 17.794 1.00 0.00 ATOM 1029 C CYS 132 9.738 11.196 16.568 1.00 0.00 ATOM 1030 N GLU 133 10.333 12.049 15.749 1.00 0.00 ATOM 1031 CA GLU 133 11.043 13.286 16.127 1.00 0.00 ATOM 1032 CB GLU 133 12.399 13.299 15.406 1.00 0.00 ATOM 1033 CG GLU 133 13.314 14.460 15.840 1.00 0.00 ATOM 1034 CD GLU 133 14.782 14.316 15.394 1.00 0.00 ATOM 1035 OE1 GLU 133 15.576 15.183 15.832 1.00 0.00 ATOM 1036 OE2 GLU 133 15.163 13.210 14.935 1.00 0.00 ATOM 1037 O GLU 133 9.874 14.606 14.487 1.00 0.00 ATOM 1038 C GLU 133 10.219 14.492 15.661 1.00 0.00 ATOM 1039 N GLY 134 9.584 15.049 16.682 1.00 0.00 ATOM 1040 CA GLY 134 8.765 16.268 16.554 1.00 0.00 ATOM 1041 O GLY 134 8.923 18.177 15.141 1.00 0.00 ATOM 1042 C GLY 134 9.537 17.405 15.869 1.00 0.00 ATOM 1043 N LYS 135 10.786 17.571 16.290 1.00 0.00 ATOM 1044 CA LYS 135 11.720 18.536 15.670 1.00 0.00 ATOM 1045 CB LYS 135 13.044 18.511 16.426 1.00 0.00 ATOM 1046 CG LYS 135 12.906 19.174 17.790 1.00 0.00 ATOM 1047 CD LYS 135 14.252 19.114 18.488 1.00 0.00 ATOM 1048 CE LYS 135 14.422 20.177 19.575 1.00 0.00 ATOM 1049 NZ LYS 135 13.381 20.159 20.604 1.00 0.00 ATOM 1050 O LYS 135 11.358 17.385 13.591 1.00 0.00 ATOM 1051 C LYS 135 11.953 18.322 14.161 1.00 0.00 TER END