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 1 Sat Jun 28 22:26:34 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 13.768 -0.051 -8.935 1.00 0.00 ATOM 2 CA MET 1 13.989 -1.147 -7.996 1.00 0.00 ATOM 3 CB MET 1 13.866 -2.503 -8.696 1.00 0.00 ATOM 4 CG MET 1 14.153 -3.657 -7.717 1.00 0.00 ATOM 5 SD MET 1 14.298 -5.297 -8.500 1.00 0.00 ATOM 6 CE MET 1 14.513 -6.222 -7.004 1.00 0.00 ATOM 7 O MET 1 16.217 -0.364 -8.107 1.00 0.00 ATOM 8 C MET 1 15.397 -0.998 -7.458 1.00 0.00 ATOM 9 N ILE 2 15.500 -1.342 -6.192 1.00 0.00 ATOM 10 CA ILE 2 16.695 -0.980 -5.422 1.00 0.00 ATOM 11 CB ILE 2 15.987 0.243 -4.353 1.00 0.00 ATOM 12 CG1 ILE 2 15.718 -0.626 -3.122 1.00 0.00 ATOM 13 CG2 ILE 2 14.713 0.880 -4.917 1.00 0.00 ATOM 14 CD1 ILE 2 14.986 0.107 -2.016 1.00 0.00 ATOM 15 O ILE 2 18.403 -2.211 -4.179 1.00 0.00 ATOM 16 C ILE 2 17.414 -2.257 -4.896 1.00 0.00 ATOM 17 N GLY 3 16.759 -3.404 -5.127 1.00 0.00 ATOM 18 CA GLY 3 17.272 -4.735 -4.773 1.00 0.00 ATOM 19 O GLY 3 15.910 -6.385 -3.714 1.00 0.00 ATOM 20 C GLY 3 16.467 -5.292 -3.615 1.00 0.00 ATOM 21 N THR 4 16.292 -4.461 -2.530 1.00 0.00 ATOM 22 CA THR 4 15.563 -4.915 -1.353 1.00 0.00 ATOM 23 CB THR 4 16.577 -5.336 -0.280 1.00 0.00 ATOM 24 CG2 THR 4 17.138 -6.736 -0.490 1.00 0.00 ATOM 25 OG1 THR 4 17.557 -4.313 -0.111 1.00 0.00 ATOM 26 O THR 4 14.416 -2.816 -1.208 1.00 0.00 ATOM 27 C THR 4 14.536 -3.956 -0.780 1.00 0.00 ATOM 28 N GLN 5 13.825 -4.436 0.236 1.00 0.00 ATOM 29 CA GLN 5 12.806 -3.655 0.918 1.00 0.00 ATOM 30 CB GLN 5 11.426 -4.212 0.456 1.00 0.00 ATOM 31 CG GLN 5 11.326 -5.708 0.649 1.00 0.00 ATOM 32 CD GLN 5 10.066 -6.330 0.164 1.00 0.00 ATOM 33 OE1 GLN 5 9.452 -7.127 0.873 1.00 0.00 ATOM 34 NE2 GLN 5 9.691 -6.123 -1.091 1.00 0.00 ATOM 35 O GLN 5 13.645 -4.975 2.751 1.00 0.00 ATOM 36 C GLN 5 12.903 -4.055 2.388 1.00 0.00 ATOM 37 N ILE 6 12.342 -3.187 3.205 1.00 0.00 ATOM 38 CA ILE 6 12.243 -3.425 4.647 1.00 0.00 ATOM 39 CB ILE 6 13.298 -2.594 5.390 1.00 0.00 ATOM 40 CG1 ILE 6 13.322 -3.023 6.847 1.00 0.00 ATOM 41 CG2 ILE 6 13.059 -1.093 5.242 1.00 0.00 ATOM 42 CD1 ILE 6 14.491 -2.417 7.583 1.00 0.00 ATOM 43 O ILE 6 10.289 -2.034 4.694 1.00 0.00 ATOM 44 C ILE 6 10.848 -3.040 5.130 1.00 0.00 ATOM 45 N VAL 7 10.290 -3.842 6.032 1.00 0.00 ATOM 46 CA VAL 7 8.989 -3.567 6.549 1.00 0.00 ATOM 47 CB VAL 7 8.178 -4.842 6.873 1.00 0.00 ATOM 48 CG1 VAL 7 7.943 -5.642 5.587 1.00 0.00 ATOM 49 CG2 VAL 7 8.804 -5.671 7.986 1.00 0.00 ATOM 50 O VAL 7 10.236 -2.611 8.364 1.00 0.00 ATOM 51 C VAL 7 9.157 -2.670 7.772 1.00 0.00 ATOM 52 N THR 8 8.089 -1.974 8.147 1.00 0.00 ATOM 53 CA THR 8 8.134 -1.086 9.304 1.00 0.00 ATOM 54 CB THR 8 6.796 -0.363 9.463 1.00 0.00 ATOM 55 CG2 THR 8 6.770 0.622 10.629 1.00 0.00 ATOM 56 OG1 THR 8 6.425 0.299 8.251 1.00 0.00 ATOM 57 O THR 8 9.232 -1.355 11.397 1.00 0.00 ATOM 58 C THR 8 8.432 -1.846 10.600 1.00 0.00 ATOM 59 N GLU 9 7.804 -2.980 10.855 1.00 0.00 ATOM 60 CA GLU 9 8.153 -3.796 12.037 1.00 0.00 ATOM 61 CB GLU 9 7.350 -5.088 12.024 1.00 0.00 ATOM 62 CG GLU 9 5.856 -4.858 12.225 1.00 0.00 ATOM 63 CD GLU 9 5.030 -6.133 12.039 1.00 0.00 ATOM 64 OE1 GLU 9 5.633 -7.193 11.785 1.00 0.00 ATOM 65 OE2 GLU 9 3.812 -6.001 12.238 1.00 0.00 ATOM 66 O GLU 9 10.289 -4.087 13.092 1.00 0.00 ATOM 67 C GLU 9 9.638 -4.146 12.049 1.00 0.00 ATOM 68 N ARG 10 10.170 -4.514 10.887 1.00 0.00 ATOM 69 CA ARG 10 11.556 -4.861 10.791 1.00 0.00 ATOM 70 CB ARG 10 11.970 -5.348 9.412 1.00 0.00 ATOM 71 CG ARG 10 11.551 -6.792 9.145 1.00 0.00 ATOM 72 CD ARG 10 11.700 -7.232 7.718 1.00 0.00 ATOM 73 NE ARG 10 13.024 -7.016 7.144 1.00 0.00 ATOM 74 CZ ARG 10 13.383 -7.378 5.914 1.00 0.00 ATOM 75 NH1 ARG 10 12.531 -8.028 5.111 1.00 0.00 ATOM 76 NH2 ARG 10 14.606 -7.107 5.487 1.00 0.00 ATOM 77 O ARG 10 13.374 -3.726 11.870 1.00 0.00 ATOM 78 C ARG 10 12.400 -3.634 11.120 1.00 0.00 ATOM 79 N LEU 11 12.026 -2.488 10.561 1.00 0.00 ATOM 80 CA LEU 11 12.765 -1.229 10.809 1.00 0.00 ATOM 81 CB LEU 11 12.133 -0.085 10.007 1.00 0.00 ATOM 82 CG LEU 11 12.889 1.239 10.209 1.00 0.00 ATOM 83 CD1 LEU 11 14.334 1.133 9.733 1.00 0.00 ATOM 84 CD2 LEU 11 12.182 2.382 9.485 1.00 0.00 ATOM 85 O LEU 11 13.767 -0.446 12.859 1.00 0.00 ATOM 86 C LEU 11 12.757 -0.896 12.315 1.00 0.00 ATOM 87 N VAL 12 11.623 -1.118 12.972 1.00 0.00 ATOM 88 CA VAL 12 11.508 -0.840 14.398 1.00 0.00 ATOM 89 CB VAL 12 10.052 -1.006 14.851 1.00 0.00 ATOM 90 CG1 VAL 12 9.856 -0.858 16.365 1.00 0.00 ATOM 91 CG2 VAL 12 9.286 0.097 14.140 1.00 0.00 ATOM 92 O VAL 12 13.220 -1.230 16.034 1.00 0.00 ATOM 93 C VAL 12 12.477 -1.718 15.182 1.00 0.00 ATOM 94 N ALA 13 12.466 -3.016 14.894 1.00 0.00 ATOM 95 CA ALA 13 13.331 -3.916 15.567 1.00 0.00 ATOM 96 CB ALA 13 13.068 -5.247 14.919 1.00 0.00 ATOM 97 O ALA 13 15.623 -3.648 16.226 1.00 0.00 ATOM 98 C ALA 13 14.788 -3.532 15.328 1.00 0.00 ATOM 99 N LEU 14 15.090 -3.074 14.117 1.00 0.00 ATOM 100 CA LEU 14 16.457 -2.672 13.775 1.00 0.00 ATOM 101 CB LEU 14 16.551 -2.340 12.283 1.00 0.00 ATOM 102 CG LEU 14 16.422 -3.593 11.421 1.00 0.00 ATOM 103 CD1 LEU 14 16.401 -3.127 9.984 1.00 0.00 ATOM 104 CD2 LEU 14 17.583 -4.569 11.578 1.00 0.00 ATOM 105 O LEU 14 17.964 -1.451 15.185 1.00 0.00 ATOM 106 C LEU 14 16.880 -1.465 14.602 1.00 0.00 ATOM 107 N LEU 15 16.022 -0.451 14.652 1.00 0.00 ATOM 108 CA LEU 15 16.321 0.755 15.415 1.00 0.00 ATOM 109 CB LEU 15 15.172 1.758 15.305 1.00 0.00 ATOM 110 CG LEU 15 15.373 2.982 16.179 1.00 0.00 ATOM 111 CD1 LEU 15 16.643 3.695 15.735 1.00 0.00 ATOM 112 CD2 LEU 15 14.168 3.901 16.027 1.00 0.00 ATOM 113 O LEU 15 17.481 0.897 17.511 1.00 0.00 ATOM 114 C LEU 15 16.559 0.385 16.876 1.00 0.00 ATOM 115 N GLU 16 15.726 -0.506 17.406 1.00 0.00 ATOM 116 CA GLU 16 15.860 -0.945 18.808 1.00 0.00 ATOM 117 CB GLU 16 14.687 -1.822 19.217 1.00 0.00 ATOM 118 CG GLU 16 13.330 -1.163 19.040 1.00 0.00 ATOM 119 CD GLU 16 13.028 -0.103 20.083 1.00 0.00 ATOM 120 OE1 GLU 16 13.938 0.296 20.840 1.00 0.00 ATOM 121 OE2 GLU 16 11.860 0.335 20.151 1.00 0.00 ATOM 122 O GLU 16 17.808 -1.577 20.082 1.00 0.00 ATOM 123 C GLU 16 17.167 -1.728 19.041 1.00 0.00 ATOM 124 N SER 17 17.551 -2.555 18.074 1.00 0.00 ATOM 125 CA SER 17 18.772 -3.342 18.191 1.00 0.00 ATOM 126 CB SER 17 18.818 -4.299 17.013 1.00 0.00 ATOM 127 OG SER 17 20.056 -4.987 17.132 1.00 0.00 ATOM 128 O SER 17 20.444 -1.968 17.230 1.00 0.00 ATOM 129 C SER 17 20.044 -2.601 18.217 1.00 0.00 ATOM 130 N GLY 18 20.691 -2.649 19.425 1.00 0.00 ATOM 131 CA GLY 18 22.044 -2.147 19.538 1.00 0.00 ATOM 132 O GLY 18 24.006 -2.229 18.155 1.00 0.00 ATOM 133 C GLY 18 23.077 -2.861 18.640 1.00 0.00 ATOM 134 N THR 19 22.903 -4.188 18.518 1.00 0.00 ATOM 135 CA THR 19 23.855 -5.071 17.822 1.00 0.00 ATOM 136 CB THR 19 23.488 -6.560 17.976 1.00 0.00 ATOM 137 CG2 THR 19 24.420 -7.477 17.168 1.00 0.00 ATOM 138 OG1 THR 19 23.493 -6.943 19.356 1.00 0.00 ATOM 139 O THR 19 24.909 -4.545 15.732 1.00 0.00 ATOM 140 C THR 19 23.851 -4.722 16.338 1.00 0.00 ATOM 141 N GLU 20 22.661 -4.623 15.754 1.00 0.00 ATOM 142 CA GLU 20 22.548 -4.297 14.363 1.00 0.00 ATOM 143 CB GLU 20 21.334 -5.028 13.802 1.00 0.00 ATOM 144 CG GLU 20 21.472 -6.539 14.057 1.00 0.00 ATOM 145 CD GLU 20 20.171 -7.285 13.746 1.00 0.00 ATOM 146 OE1 GLU 20 19.108 -6.834 14.228 1.00 0.00 ATOM 147 OE2 GLU 20 20.273 -8.301 13.026 1.00 0.00 ATOM 148 O GLU 20 21.489 -2.205 14.738 1.00 0.00 ATOM 149 C GLU 20 22.409 -2.822 14.199 1.00 0.00 ATOM 150 N LYS 21 23.330 -2.230 13.444 1.00 0.00 ATOM 151 CA LYS 21 23.301 -0.792 13.206 1.00 0.00 ATOM 152 CB LYS 21 24.706 -0.293 12.882 1.00 0.00 ATOM 153 CG LYS 21 25.711 -0.522 13.999 1.00 0.00 ATOM 154 CD LYS 21 25.315 0.221 15.264 1.00 0.00 ATOM 155 CE LYS 21 26.291 -0.060 16.398 1.00 0.00 ATOM 156 NZ LYS 21 26.321 -1.505 16.759 1.00 0.00 ATOM 157 O LYS 21 22.340 -1.240 11.045 1.00 0.00 ATOM 158 C LYS 21 22.409 -0.464 12.000 1.00 0.00 ATOM 159 N VAL 22 21.734 0.680 12.050 1.00 0.00 ATOM 160 CA VAL 22 20.861 1.090 10.957 1.00 0.00 ATOM 161 CB VAL 22 19.406 0.753 11.281 1.00 0.00 ATOM 162 CG1 VAL 22 18.507 1.305 10.177 1.00 0.00 ATOM 163 CG2 VAL 22 19.234 -0.780 11.373 1.00 0.00 ATOM 164 O VAL 22 20.877 3.321 11.821 1.00 0.00 ATOM 165 C VAL 22 20.940 2.597 10.829 1.00 0.00 ATOM 166 N LEU 23 21.026 3.032 9.587 1.00 0.00 ATOM 167 CA LEU 23 20.975 4.469 9.307 1.00 0.00 ATOM 168 CB LEU 23 22.304 4.880 8.669 1.00 0.00 ATOM 169 CG LEU 23 22.352 6.380 8.401 1.00 0.00 ATOM 170 CD1 LEU 23 23.788 6.895 8.534 1.00 0.00 ATOM 171 CD2 LEU 23 21.876 6.602 6.975 1.00 0.00 ATOM 172 O LEU 23 19.525 4.037 7.444 1.00 0.00 ATOM 173 C LEU 23 19.760 4.731 8.435 1.00 0.00 ATOM 174 N LEU 24 18.960 5.741 8.793 1.00 0.00 ATOM 175 CA LEU 24 17.752 6.066 8.061 1.00 0.00 ATOM 176 CB LEU 24 16.577 6.266 9.023 1.00 0.00 ATOM 177 CG LEU 24 16.103 4.912 9.546 1.00 0.00 ATOM 178 CD1 LEU 24 15.356 5.060 10.861 1.00 0.00 ATOM 179 CD2 LEU 24 15.095 4.340 8.572 1.00 0.00 ATOM 180 O LEU 24 18.571 8.288 7.771 1.00 0.00 ATOM 181 C LEU 24 17.949 7.342 7.283 1.00 0.00 ATOM 182 N ILE 25 17.419 7.378 6.066 1.00 0.00 ATOM 183 CA ILE 25 17.544 8.561 5.222 1.00 0.00 ATOM 184 CB ILE 25 18.229 8.253 3.861 1.00 0.00 ATOM 185 CG1 ILE 25 19.670 7.766 4.088 1.00 0.00 ATOM 186 CG2 ILE 25 18.230 9.506 2.964 1.00 0.00 ATOM 187 CD1 ILE 25 20.346 7.161 2.815 1.00 0.00 ATOM 188 O ILE 25 15.228 8.396 4.605 1.00 0.00 ATOM 189 C ILE 25 16.159 9.136 4.915 1.00 0.00 ATOM 190 N ASP 26 16.059 10.435 5.033 1.00 0.00 ATOM 191 CA ASP 26 14.796 11.141 4.788 1.00 0.00 ATOM 192 CB ASP 26 14.633 12.238 5.839 1.00 0.00 ATOM 193 CG ASP 26 13.304 12.982 5.700 1.00 0.00 ATOM 194 OD1 ASP 26 12.697 13.235 6.747 1.00 0.00 ATOM 195 OD2 ASP 26 12.861 13.295 4.589 1.00 0.00 ATOM 196 O ASP 26 15.869 12.612 3.225 1.00 0.00 ATOM 197 C ASP 26 14.949 11.820 3.430 1.00 0.00 ATOM 198 N SER 27 14.046 11.508 2.506 1.00 0.00 ATOM 199 CA SER 27 14.091 12.104 1.157 1.00 0.00 ATOM 200 CB SER 27 14.065 10.991 0.110 1.00 0.00 ATOM 201 OG SER 27 12.909 10.193 0.362 1.00 0.00 ATOM 202 O SER 27 12.774 13.581 -0.237 1.00 0.00 ATOM 203 C SER 27 12.997 13.179 0.906 1.00 0.00 ATOM 204 N ARG 28 12.337 13.626 1.969 1.00 0.00 ATOM 205 CA ARG 28 11.293 14.637 1.841 1.00 0.00 ATOM 206 CB ARG 28 10.399 14.518 3.071 1.00 0.00 ATOM 207 CG ARG 28 9.698 13.179 3.134 1.00 0.00 ATOM 208 CD ARG 28 9.433 12.781 4.581 1.00 0.00 ATOM 209 NE ARG 28 8.649 13.810 5.271 1.00 0.00 ATOM 210 CZ ARG 28 8.960 14.310 6.469 1.00 0.00 ATOM 211 NH1 ARG 28 10.028 13.912 7.117 1.00 0.00 ATOM 212 NH2 ARG 28 8.215 15.246 7.045 1.00 0.00 ATOM 213 O ARG 28 13.089 16.198 2.138 1.00 0.00 ATOM 214 C ARG 28 11.910 16.044 1.789 1.00 0.00 ATOM 215 N PRO 29 11.145 17.076 1.428 1.00 0.00 ATOM 216 CA PRO 29 11.629 18.463 1.439 1.00 0.00 ATOM 217 CB PRO 29 10.380 19.305 1.333 1.00 0.00 ATOM 218 CG PRO 29 9.424 18.438 0.501 1.00 0.00 ATOM 219 CD PRO 29 9.684 17.020 1.024 1.00 0.00 ATOM 220 O PRO 29 11.848 18.101 3.801 1.00 0.00 ATOM 221 C PRO 29 12.257 18.704 2.808 1.00 0.00 ATOM 222 N PHE 30 13.249 19.587 2.859 1.00 0.00 ATOM 223 CA PHE 30 13.940 19.906 4.136 1.00 0.00 ATOM 224 CB PHE 30 15.281 20.673 3.793 1.00 0.00 ATOM 225 CG PHE 30 16.122 21.008 5.008 1.00 0.00 ATOM 226 CD1 PHE 30 16.905 20.035 5.630 1.00 0.00 ATOM 227 CD2 PHE 30 16.126 22.303 5.534 1.00 0.00 ATOM 228 CE1 PHE 30 17.690 20.343 6.765 1.00 0.00 ATOM 229 CE2 PHE 30 16.904 22.626 6.665 1.00 0.00 ATOM 230 CZ PHE 30 17.690 21.648 7.288 1.00 0.00 ATOM 231 O PHE 30 13.146 20.253 6.380 1.00 0.00 ATOM 232 C PHE 30 13.003 20.517 5.185 1.00 0.00 ATOM 233 N VAL 31 12.063 21.323 4.739 1.00 0.00 ATOM 234 CA VAL 31 11.116 21.957 5.649 1.00 0.00 ATOM 235 CB VAL 31 10.216 22.979 4.955 1.00 0.00 ATOM 236 CG1 VAL 31 9.176 23.527 5.930 1.00 0.00 ATOM 237 CG2 VAL 31 11.139 24.157 4.397 1.00 0.00 ATOM 238 O VAL 31 10.134 20.958 7.596 1.00 0.00 ATOM 239 C VAL 31 10.323 20.881 6.382 1.00 0.00 ATOM 240 N GLU 32 9.861 19.877 5.643 1.00 0.00 ATOM 241 CA GLU 32 9.088 18.784 6.242 1.00 0.00 ATOM 242 CB GLU 32 8.543 17.815 5.305 1.00 0.00 ATOM 243 CG GLU 32 7.409 18.428 4.500 1.00 0.00 ATOM 244 CD GLU 32 6.695 17.504 3.500 1.00 0.00 ATOM 245 OE1 GLU 32 5.831 18.007 2.799 1.00 0.00 ATOM 246 OE2 GLU 32 6.957 16.276 3.406 1.00 0.00 ATOM 247 O GLU 32 9.616 17.710 8.327 1.00 0.00 ATOM 248 C GLU 32 10.005 18.016 7.200 1.00 0.00 ATOM 249 N TYR 33 11.217 17.711 6.749 1.00 0.00 ATOM 250 CA TYR 33 12.172 16.984 7.578 1.00 0.00 ATOM 251 CB TYR 33 13.553 17.030 6.942 1.00 0.00 ATOM 252 CG TYR 33 14.674 16.531 7.863 1.00 0.00 ATOM 253 CD1 TYR 33 14.841 15.174 8.095 1.00 0.00 ATOM 254 CD2 TYR 33 15.553 17.422 8.447 1.00 0.00 ATOM 255 CE1 TYR 33 15.868 14.687 8.889 1.00 0.00 ATOM 256 CE2 TYR 33 16.587 16.946 9.243 1.00 0.00 ATOM 257 CZ TYR 33 16.747 15.577 9.473 1.00 0.00 ATOM 258 OH TYR 33 17.806 15.118 10.188 1.00 0.00 ATOM 259 O TYR 33 12.031 17.006 9.935 1.00 0.00 ATOM 260 C TYR 33 12.238 17.671 8.944 1.00 0.00 ATOM 261 N ASN 34 12.375 18.994 8.940 1.00 0.00 ATOM 262 CA ASN 34 12.427 19.787 10.179 1.00 0.00 ATOM 263 CB ASN 34 12.803 21.235 9.674 1.00 0.00 ATOM 264 CG ASN 34 13.223 22.130 10.788 1.00 0.00 ATOM 265 ND2 ASN 34 12.450 23.180 11.019 1.00 0.00 ATOM 266 OD1 ASN 34 14.227 21.882 11.448 1.00 0.00 ATOM 267 O ASN 34 11.218 19.529 12.235 1.00 0.00 ATOM 268 C ASN 34 11.157 19.637 11.009 1.00 0.00 ATOM 269 N THR 35 10.008 19.628 10.341 1.00 0.00 ATOM 270 CA THR 35 8.706 19.486 11.040 1.00 0.00 ATOM 271 CB THR 35 7.514 19.708 10.105 1.00 0.00 ATOM 272 CG2 THR 35 6.141 19.703 10.774 1.00 0.00 ATOM 273 OG1 THR 35 7.649 21.035 9.691 1.00 0.00 ATOM 274 O THR 35 8.303 18.067 12.925 1.00 0.00 ATOM 275 C THR 35 8.621 18.136 11.745 1.00 0.00 ATOM 276 N SER 36 8.926 17.096 10.990 1.00 0.00 ATOM 277 CA SER 36 8.951 15.730 11.537 1.00 0.00 ATOM 278 CB SER 36 7.537 15.189 11.486 1.00 0.00 ATOM 279 OG SER 36 7.450 13.846 11.933 1.00 0.00 ATOM 280 O SER 36 9.706 14.904 9.459 1.00 0.00 ATOM 281 C SER 36 9.793 14.816 10.680 1.00 0.00 ATOM 282 N HIS 37 10.430 13.850 11.311 1.00 0.00 ATOM 283 CA HIS 37 11.198 12.793 10.625 1.00 0.00 ATOM 284 CB HIS 37 12.534 13.346 10.099 1.00 0.00 ATOM 285 CG HIS 37 13.413 13.962 11.188 1.00 0.00 ATOM 286 CD2 HIS 37 14.374 13.359 11.875 1.00 0.00 ATOM 287 ND1 HIS 37 13.395 15.232 11.559 1.00 0.00 ATOM 288 CE1 HIS 37 14.327 15.401 12.490 1.00 0.00 ATOM 289 NE2 HIS 37 14.960 14.246 12.682 1.00 0.00 ATOM 290 O HIS 37 11.250 11.759 12.786 1.00 0.00 ATOM 291 C HIS 37 11.511 11.658 11.586 1.00 0.00 ATOM 292 N ILE 38 12.074 10.574 11.060 1.00 0.00 ATOM 293 CA ILE 38 12.420 9.425 11.888 1.00 0.00 ATOM 294 CB ILE 38 12.780 8.201 11.044 1.00 0.00 ATOM 295 CG1 ILE 38 11.622 7.781 10.140 1.00 0.00 ATOM 296 CG2 ILE 38 13.168 7.036 11.946 1.00 0.00 ATOM 297 CD1 ILE 38 10.320 7.417 10.868 1.00 0.00 ATOM 298 O ILE 38 14.536 10.490 12.268 1.00 0.00 ATOM 299 C ILE 38 13.632 9.796 12.735 1.00 0.00 ATOM 300 N LEU 39 13.649 9.333 13.981 1.00 0.00 ATOM 301 CA LEU 39 14.760 9.623 14.879 1.00 0.00 ATOM 302 CB LEU 39 14.585 8.930 16.215 1.00 0.00 ATOM 303 CG LEU 39 15.745 9.067 17.199 1.00 0.00 ATOM 304 CD1 LEU 39 15.830 10.497 17.739 1.00 0.00 ATOM 305 CD2 LEU 39 15.662 8.015 18.305 1.00 0.00 ATOM 306 O LEU 39 16.058 8.187 13.444 1.00 0.00 ATOM 307 C LEU 39 16.054 9.150 14.215 1.00 0.00 ATOM 308 N GLU 40 17.051 9.908 14.351 1.00 0.00 ATOM 309 CA GLU 40 18.378 9.615 13.806 1.00 0.00 ATOM 310 CB GLU 40 18.847 8.353 14.579 1.00 0.00 ATOM 311 CG GLU 40 18.857 8.555 16.103 1.00 0.00 ATOM 312 CD GLU 40 19.242 7.333 16.951 1.00 0.00 ATOM 313 OE1 GLU 40 18.736 6.234 16.655 1.00 0.00 ATOM 314 OE2 GLU 40 20.032 7.518 17.903 1.00 0.00 ATOM 315 O GLU 40 19.479 9.154 11.692 1.00 0.00 ATOM 316 C GLU 40 18.428 9.450 12.255 1.00 0.00 ATOM 317 N ALA 41 17.407 9.992 11.581 1.00 0.00 ATOM 318 CA ALA 41 17.361 10.057 10.108 1.00 0.00 ATOM 319 CB ALA 41 15.938 10.286 9.575 1.00 0.00 ATOM 320 O ALA 41 18.237 12.301 10.195 1.00 0.00 ATOM 321 C ALA 41 18.218 11.215 9.607 1.00 0.00 ATOM 322 N ILE 42 18.835 10.980 8.463 1.00 0.00 ATOM 323 CA ILE 42 19.683 11.991 7.809 1.00 0.00 ATOM 324 CB ILE 42 21.055 11.420 7.481 1.00 0.00 ATOM 325 CG1 ILE 42 20.974 10.174 6.582 1.00 0.00 ATOM 326 CG2 ILE 42 21.733 11.060 8.804 1.00 0.00 ATOM 327 CD1 ILE 42 22.281 9.774 5.884 1.00 0.00 ATOM 328 O ILE 42 18.322 11.705 5.853 1.00 0.00 ATOM 329 C ILE 42 18.896 12.496 6.604 1.00 0.00 ATOM 330 N ASN 43 18.872 13.812 6.419 1.00 0.00 ATOM 331 CA ASN 43 18.155 14.401 5.301 1.00 0.00 ATOM 332 CB ASN 43 17.210 15.536 5.759 1.00 0.00 ATOM 333 CG ASN 43 16.187 15.919 4.705 1.00 0.00 ATOM 334 ND2 ASN 43 15.378 14.943 4.270 1.00 0.00 ATOM 335 OD1 ASN 43 16.156 17.051 4.248 1.00 0.00 ATOM 336 O ASN 43 19.871 15.619 4.192 1.00 0.00 ATOM 337 C ASN 43 18.972 14.780 4.107 1.00 0.00 ATOM 338 N ILE 44 18.669 14.163 2.969 1.00 0.00 ATOM 339 CA ILE 44 19.394 14.451 1.737 1.00 0.00 ATOM 340 CB ILE 44 19.622 13.173 0.936 1.00 0.00 ATOM 341 CG1 ILE 44 20.342 12.150 1.817 1.00 0.00 ATOM 342 CG2 ILE 44 20.486 13.542 -0.289 1.00 0.00 ATOM 343 CD1 ILE 44 20.318 10.767 1.174 1.00 0.00 ATOM 344 O ILE 44 17.459 15.191 0.544 1.00 0.00 ATOM 345 C ILE 44 18.597 15.456 0.935 1.00 0.00 ATOM 346 N ASN 45 19.191 16.619 0.686 1.00 0.00 ATOM 347 CA ASN 45 18.520 17.663 -0.079 1.00 0.00 ATOM 348 CB ASN 45 19.157 19.029 0.209 1.00 0.00 ATOM 349 CG ASN 45 18.289 20.212 -0.193 1.00 0.00 ATOM 350 ND2 ASN 45 18.671 21.400 0.244 1.00 0.00 ATOM 351 OD1 ASN 45 17.273 20.084 -0.846 1.00 0.00 ATOM 352 O ASN 45 19.526 16.577 -1.930 1.00 0.00 ATOM 353 C ASN 45 18.539 17.191 -1.524 1.00 0.00 ATOM 354 N CYS 46 17.363 17.125 -2.114 1.00 0.00 ATOM 355 CA CYS 46 17.220 16.669 -3.510 1.00 0.00 ATOM 356 CB CYS 46 16.178 15.567 -3.634 1.00 0.00 ATOM 357 SG CYS 46 16.647 14.026 -2.777 1.00 0.00 ATOM 358 O CYS 46 16.372 17.658 -5.566 1.00 0.00 ATOM 359 C CYS 46 16.913 17.827 -4.481 1.00 0.00 ATOM 360 N SER 47 17.406 19.002 -4.079 1.00 0.00 ATOM 361 CA SER 47 17.308 20.221 -4.903 1.00 0.00 ATOM 362 CB SER 47 18.052 21.413 -4.289 1.00 0.00 ATOM 363 OG SER 47 17.417 21.730 -3.074 1.00 0.00 ATOM 364 O SER 47 18.583 18.968 -6.501 1.00 0.00 ATOM 365 C SER 47 18.004 20.023 -6.245 1.00 0.00 ATOM 366 N LYS 48 17.947 21.040 -7.100 1.00 0.00 ATOM 367 CA LYS 48 18.582 20.961 -8.414 1.00 0.00 ATOM 368 CB LYS 48 18.343 22.177 -9.302 1.00 0.00 ATOM 369 CG LYS 48 16.892 22.377 -9.703 1.00 0.00 ATOM 370 CD LYS 48 16.753 23.693 -10.456 1.00 0.00 ATOM 371 CE LYS 48 15.294 23.880 -10.886 1.00 0.00 ATOM 372 NZ LYS 48 15.081 25.111 -11.634 1.00 0.00 ATOM 373 O LYS 48 20.742 20.019 -8.864 1.00 0.00 ATOM 374 C LYS 48 20.089 20.839 -8.217 1.00 0.00 ATOM 375 N LEU 49 20.640 21.653 -7.323 1.00 0.00 ATOM 376 CA LEU 49 22.094 21.624 -7.043 1.00 0.00 ATOM 377 CB LEU 49 22.525 22.665 -6.007 1.00 0.00 ATOM 378 CG LEU 49 22.495 24.087 -6.597 1.00 0.00 ATOM 379 CD1 LEU 49 22.623 25.151 -5.517 1.00 0.00 ATOM 380 CD2 LEU 49 23.662 24.317 -7.536 1.00 0.00 ATOM 381 O LEU 49 23.349 19.643 -7.134 1.00 0.00 ATOM 382 C LEU 49 22.508 20.261 -6.514 1.00 0.00 ATOM 383 N MET 50 21.630 19.675 -5.728 1.00 0.00 ATOM 384 CA MET 50 21.828 18.398 -5.076 1.00 0.00 ATOM 385 CB MET 50 20.799 18.471 -3.965 1.00 0.00 ATOM 386 CG MET 50 20.732 19.772 -3.145 1.00 0.00 ATOM 387 SD MET 50 22.291 20.418 -2.441 1.00 0.00 ATOM 388 CE MET 50 22.558 19.110 -1.277 1.00 0.00 ATOM 389 O MET 50 22.565 16.346 -6.122 1.00 0.00 ATOM 390 C MET 50 21.731 17.252 -6.116 1.00 0.00 ATOM 391 N LYS 51 20.720 17.309 -6.978 1.00 0.00 ATOM 392 CA LYS 51 20.540 16.283 -7.998 1.00 0.00 ATOM 393 CB LYS 51 19.415 16.534 -8.917 1.00 0.00 ATOM 394 CG LYS 51 18.067 16.370 -8.225 1.00 0.00 ATOM 395 CD LYS 51 16.936 16.971 -9.058 1.00 0.00 ATOM 396 CE LYS 51 16.216 15.912 -9.860 1.00 0.00 ATOM 397 NZ LYS 51 15.230 16.507 -10.814 1.00 0.00 ATOM 398 O LYS 51 22.397 15.179 -9.054 1.00 0.00 ATOM 399 C LYS 51 21.815 16.244 -8.847 1.00 0.00 ATOM 400 N ARG 52 22.244 17.405 -9.334 1.00 0.00 ATOM 401 CA ARG 52 23.447 17.483 -10.153 1.00 0.00 ATOM 402 CB ARG 52 23.749 18.865 -10.606 1.00 0.00 ATOM 403 CG ARG 52 22.846 19.280 -11.765 1.00 0.00 ATOM 404 CD ARG 52 22.528 20.766 -11.768 1.00 0.00 ATOM 405 NE ARG 52 21.706 21.143 -12.919 1.00 0.00 ATOM 406 CZ ARG 52 21.012 22.275 -13.028 1.00 0.00 ATOM 407 NH1 ARG 52 21.010 23.179 -12.053 1.00 0.00 ATOM 408 NH2 ARG 52 20.302 22.509 -14.125 1.00 0.00 ATOM 409 O ARG 52 25.501 16.260 -9.833 1.00 0.00 ATOM 410 C ARG 52 24.690 17.052 -9.362 1.00 0.00 ATOM 411 N ARG 53 24.678 17.419 -8.080 1.00 0.00 ATOM 412 CA ARG 53 25.801 17.198 -7.149 1.00 0.00 ATOM 413 CB ARG 53 25.492 17.740 -5.775 1.00 0.00 ATOM 414 CG ARG 53 25.738 19.215 -5.588 1.00 0.00 ATOM 415 CD ARG 53 26.715 19.311 -4.432 1.00 0.00 ATOM 416 NE ARG 53 26.783 20.734 -4.116 1.00 0.00 ATOM 417 CZ ARG 53 27.345 21.707 -4.836 1.00 0.00 ATOM 418 NH1 ARG 53 27.954 21.394 -5.947 1.00 0.00 ATOM 419 NH2 ARG 53 27.359 22.991 -4.481 1.00 0.00 ATOM 420 O ARG 53 27.173 15.339 -6.569 1.00 0.00 ATOM 421 C ARG 53 26.041 15.732 -6.853 1.00 0.00 ATOM 422 N LEU 54 24.953 14.974 -6.890 1.00 0.00 ATOM 423 CA LEU 54 24.978 13.567 -6.458 1.00 0.00 ATOM 424 CB LEU 54 23.747 13.156 -5.662 1.00 0.00 ATOM 425 CG LEU 54 23.703 13.813 -4.289 1.00 0.00 ATOM 426 CD1 LEU 54 22.328 13.580 -3.682 1.00 0.00 ATOM 427 CD2 LEU 54 24.832 13.306 -3.372 1.00 0.00 ATOM 428 O LEU 54 25.660 11.607 -7.662 1.00 0.00 ATOM 429 C LEU 54 24.999 12.646 -7.674 1.00 0.00 ATOM 430 N GLN 55 24.275 13.029 -8.721 1.00 0.00 ATOM 431 CA GLN 55 24.227 12.232 -9.925 1.00 0.00 ATOM 432 CB GLN 55 23.472 13.086 -10.934 1.00 0.00 ATOM 433 CG GLN 55 22.563 12.195 -11.759 1.00 0.00 ATOM 434 CD GLN 55 21.980 12.960 -12.932 1.00 0.00 ATOM 435 OE1 GLN 55 21.796 14.167 -12.995 1.00 0.00 ATOM 436 NE2 GLN 55 21.639 12.177 -13.921 1.00 0.00 ATOM 437 O GLN 55 26.035 10.991 -10.895 1.00 0.00 ATOM 438 C GLN 55 25.624 12.088 -10.518 1.00 0.00 ATOM 439 N GLN 56 26.351 13.198 -10.602 1.00 0.00 ATOM 440 CA GLN 56 27.690 13.173 -11.148 1.00 0.00 ATOM 441 CB GLN 56 28.096 14.602 -11.491 1.00 0.00 ATOM 442 CG GLN 56 27.267 15.075 -12.691 1.00 0.00 ATOM 443 CD GLN 56 27.651 16.516 -12.986 1.00 0.00 ATOM 444 OE1 GLN 56 28.817 16.870 -13.105 1.00 0.00 ATOM 445 NE2 GLN 56 26.668 17.381 -13.034 1.00 0.00 ATOM 446 O GLN 56 29.878 12.673 -10.417 1.00 0.00 ATOM 447 C GLN 56 28.671 12.676 -10.170 1.00 0.00 ATOM 448 N ASP 57 28.170 12.237 -9.020 1.00 0.00 ATOM 449 CA ASP 57 29.036 11.715 -7.968 1.00 0.00 ATOM 450 CB ASP 57 29.584 10.348 -8.434 1.00 0.00 ATOM 451 CG ASP 57 28.445 9.419 -8.873 1.00 0.00 ATOM 452 OD1 ASP 57 27.552 9.167 -8.054 1.00 0.00 ATOM 453 OD2 ASP 57 28.409 8.924 -9.997 1.00 0.00 ATOM 454 O ASP 57 31.152 12.294 -7.022 1.00 0.00 ATOM 455 C ASP 57 30.137 12.678 -7.585 1.00 0.00 ATOM 456 N LYS 58 29.922 13.955 -7.846 1.00 0.00 ATOM 457 CA LYS 58 30.793 15.013 -7.361 1.00 0.00 ATOM 458 CB LYS 58 30.383 16.368 -7.790 1.00 0.00 ATOM 459 CG LYS 58 30.775 16.610 -9.269 1.00 0.00 ATOM 460 CD LYS 58 30.217 17.982 -9.702 1.00 0.00 ATOM 461 CE LYS 58 30.650 18.399 -11.079 1.00 0.00 ATOM 462 NZ LYS 58 29.953 19.718 -11.425 1.00 0.00 ATOM 463 O LYS 58 31.869 15.061 -5.238 1.00 0.00 ATOM 464 C LYS 58 30.812 15.000 -5.832 1.00 0.00 ATOM 465 N VAL 59 29.631 14.800 -5.257 1.00 0.00 ATOM 466 CA VAL 59 29.488 14.736 -3.794 1.00 0.00 ATOM 467 CB VAL 59 28.612 15.887 -3.246 1.00 0.00 ATOM 468 CG1 VAL 59 28.494 15.801 -1.720 1.00 0.00 ATOM 469 CG2 VAL 59 29.177 17.241 -3.675 1.00 0.00 ATOM 470 O VAL 59 27.846 13.002 -4.022 1.00 0.00 ATOM 471 C VAL 59 28.812 13.431 -3.389 1.00 0.00 ATOM 472 N LEU 60 29.320 12.800 -2.334 1.00 0.00 ATOM 473 CA LEU 60 28.755 11.563 -1.869 1.00 0.00 ATOM 474 CB LEU 60 29.877 10.721 -1.239 1.00 0.00 ATOM 475 CG LEU 60 30.879 10.149 -2.256 1.00 0.00 ATOM 476 CD1 LEU 60 32.028 9.548 -1.456 1.00 0.00 ATOM 477 CD2 LEU 60 30.291 9.080 -3.175 1.00 0.00 ATOM 478 O LEU 60 27.604 12.985 -0.291 1.00 0.00 ATOM 479 C LEU 60 27.618 11.901 -0.876 1.00 0.00 ATOM 480 N ILE 61 26.682 10.973 -0.697 1.00 0.00 ATOM 481 CA ILE 61 25.567 11.191 0.219 1.00 0.00 ATOM 482 CB ILE 61 24.588 10.010 0.082 1.00 0.00 ATOM 483 CG1 ILE 61 23.808 10.084 -1.227 1.00 0.00 ATOM 484 CG2 ILE 61 23.655 9.963 1.296 1.00 0.00 ATOM 485 CD1 ILE 61 22.955 8.837 -1.467 1.00 0.00 ATOM 486 O ILE 61 25.763 12.325 2.324 1.00 0.00 ATOM 487 C ILE 61 26.100 11.359 1.637 1.00 0.00 ATOM 488 N THR 62 26.930 10.417 2.075 1.00 0.00 ATOM 489 CA THR 62 27.515 10.473 3.438 1.00 0.00 ATOM 490 CB THR 62 28.536 9.349 3.661 1.00 0.00 ATOM 491 CG2 THR 62 29.038 9.303 5.108 1.00 0.00 ATOM 492 OG1 THR 62 28.004 8.097 3.216 1.00 0.00 ATOM 493 O THR 62 28.131 12.415 4.726 1.00 0.00 ATOM 494 C THR 62 28.250 11.808 3.662 1.00 0.00 ATOM 495 N GLU 63 29.000 12.253 2.659 1.00 0.00 ATOM 496 CA GLU 63 29.736 13.507 2.765 1.00 0.00 ATOM 497 CB GLU 63 31.205 13.258 2.111 1.00 0.00 ATOM 498 CG GLU 63 32.172 14.455 2.222 1.00 0.00 ATOM 499 CD GLU 63 32.300 15.004 3.643 1.00 0.00 ATOM 500 OE1 GLU 63 32.515 14.202 4.579 1.00 0.00 ATOM 501 OE2 GLU 63 32.183 16.239 3.831 1.00 0.00 ATOM 502 O GLU 63 29.393 15.881 2.705 1.00 0.00 ATOM 503 C GLU 63 28.932 14.766 2.457 1.00 0.00 ATOM 504 N LEU 64 27.730 14.586 1.919 1.00 0.00 ATOM 505 CA LEU 64 26.874 15.719 1.587 1.00 0.00 ATOM 506 CB LEU 64 25.709 15.155 0.737 1.00 0.00 ATOM 507 CG LEU 64 24.697 16.217 0.293 1.00 0.00 ATOM 508 CD1 LEU 64 25.355 17.282 -0.586 1.00 0.00 ATOM 509 CD2 LEU 64 23.531 15.568 -0.443 1.00 0.00 ATOM 510 O LEU 64 25.967 17.743 2.473 1.00 0.00 ATOM 511 C LEU 64 26.242 16.567 2.668 1.00 0.00 ATOM 512 N ILE 65 25.811 15.860 3.687 1.00 0.00 ATOM 513 CA ILE 65 24.937 16.500 4.649 1.00 0.00 ATOM 514 CB ILE 65 24.498 15.457 5.651 1.00 0.00 ATOM 515 CG1 ILE 65 23.819 14.197 5.085 1.00 0.00 ATOM 516 CG2 ILE 65 23.464 16.207 6.435 1.00 0.00 ATOM 517 CD1 ILE 65 22.639 14.391 4.118 1.00 0.00 ATOM 518 O ILE 65 26.775 17.651 5.715 1.00 0.00 ATOM 519 C ILE 65 25.604 17.719 5.311 1.00 0.00 ATOM 520 N GLN 66 24.763 18.700 5.599 1.00 0.00 ATOM 521 CA GLN 66 25.079 19.807 6.524 1.00 0.00 ATOM 522 CB GLN 66 23.834 20.650 6.857 1.00 0.00 ATOM 523 CG GLN 66 22.814 19.964 7.767 1.00 0.00 ATOM 524 CD GLN 66 21.982 21.025 8.479 1.00 0.00 ATOM 525 OE1 GLN 66 22.141 21.364 9.625 1.00 0.00 ATOM 526 NE2 GLN 66 20.985 21.514 7.780 1.00 0.00 ATOM 527 O GLN 66 25.475 18.061 8.121 1.00 0.00 ATOM 528 C GLN 66 25.565 19.261 7.863 1.00 0.00 ATOM 529 N HIS 67 26.078 20.145 8.713 1.00 0.00 ATOM 530 CA HIS 67 26.575 19.735 10.034 1.00 0.00 ATOM 531 CB HIS 67 27.004 20.936 10.885 1.00 0.00 ATOM 532 CG HIS 67 27.782 22.017 10.125 1.00 0.00 ATOM 533 CD2 HIS 67 28.999 22.456 10.410 1.00 0.00 ATOM 534 ND1 HIS 67 27.333 22.661 9.059 1.00 0.00 ATOM 535 CE1 HIS 67 28.289 23.481 8.662 1.00 0.00 ATOM 536 NE2 HIS 67 29.334 23.335 9.469 1.00 0.00 ATOM 537 O HIS 67 25.947 17.872 11.410 1.00 0.00 ATOM 538 C HIS 67 25.595 18.918 10.865 1.00 0.00 ATOM 539 N SER 68 24.317 19.371 11.018 1.00 0.00 ATOM 540 CA SER 68 23.362 18.697 11.882 1.00 0.00 ATOM 541 CB SER 68 21.992 19.359 11.915 1.00 0.00 ATOM 542 OG SER 68 22.210 20.606 12.536 1.00 0.00 ATOM 543 O SER 68 22.998 16.333 12.183 1.00 0.00 ATOM 544 C SER 68 23.043 17.281 11.392 1.00 0.00 ATOM 545 N ALA 69 22.849 17.196 10.157 1.00 0.00 ATOM 546 CA ALA 69 22.559 15.896 9.560 1.00 0.00 ATOM 547 CB ALA 69 21.776 16.095 8.215 1.00 0.00 ATOM 548 O ALA 69 23.651 13.760 9.589 1.00 0.00 ATOM 549 C ALA 69 23.775 14.980 9.470 1.00 0.00 ATOM 550 N LYS 70 24.949 15.568 9.262 1.00 0.00 ATOM 551 CA LYS 70 26.216 14.779 9.157 1.00 0.00 ATOM 552 CB LYS 70 27.300 15.675 8.529 1.00 0.00 ATOM 553 CG LYS 70 28.654 15.055 8.369 1.00 0.00 ATOM 554 CD LYS 70 29.641 16.033 7.695 1.00 0.00 ATOM 555 CE LYS 70 30.893 15.317 7.178 1.00 0.00 ATOM 556 NZ LYS 70 32.119 16.230 7.122 1.00 0.00 ATOM 557 O LYS 70 27.129 12.985 10.519 1.00 0.00 ATOM 558 C LYS 70 26.531 14.062 10.513 1.00 0.00 ATOM 559 N HIS 71 26.125 14.667 11.626 1.00 0.00 ATOM 560 CA HIS 71 26.370 14.078 12.938 1.00 0.00 ATOM 561 CB HIS 71 25.819 14.905 14.034 1.00 0.00 ATOM 562 CG HIS 71 26.106 14.315 15.376 1.00 0.00 ATOM 563 CD2 HIS 71 26.997 14.685 16.320 1.00 0.00 ATOM 564 ND1 HIS 71 25.403 13.266 15.866 1.00 0.00 ATOM 565 CE1 HIS 71 25.868 13.013 17.057 1.00 0.00 ATOM 566 NE2 HIS 71 26.839 13.853 17.363 1.00 0.00 ATOM 567 O HIS 71 26.456 11.689 13.141 1.00 0.00 ATOM 568 C HIS 71 25.773 12.676 12.864 1.00 0.00 ATOM 569 N LYS 72 24.501 12.591 12.491 1.00 0.00 ATOM 570 CA LYS 72 23.821 11.292 12.383 1.00 0.00 ATOM 571 CB LYS 72 22.348 11.434 12.025 1.00 0.00 ATOM 572 CG LYS 72 21.509 12.250 13.013 1.00 0.00 ATOM 573 CD LYS 72 20.069 12.401 12.496 1.00 0.00 ATOM 574 CE LYS 72 19.177 13.306 13.334 1.00 0.00 ATOM 575 NZ LYS 72 17.848 13.537 12.758 1.00 0.00 ATOM 576 O LYS 72 24.605 9.199 11.433 1.00 0.00 ATOM 577 C LYS 72 24.460 10.410 11.261 1.00 0.00 ATOM 578 N VAL 73 24.828 11.028 10.142 1.00 0.00 ATOM 579 CA VAL 73 25.436 10.293 9.039 1.00 0.00 ATOM 580 CB VAL 73 25.763 11.221 7.845 1.00 0.00 ATOM 581 CG1 VAL 73 26.370 10.494 6.648 1.00 0.00 ATOM 582 CG2 VAL 73 24.518 11.848 7.272 1.00 0.00 ATOM 583 O VAL 73 27.245 8.811 8.684 1.00 0.00 ATOM 584 C VAL 73 26.789 9.691 9.385 1.00 0.00 ATOM 585 N ASP 74 27.470 10.226 10.397 1.00 0.00 ATOM 586 CA ASP 74 28.889 9.891 10.638 1.00 0.00 ATOM 587 CB ASP 74 29.515 10.728 11.737 1.00 0.00 ATOM 588 CG ASP 74 29.843 12.155 11.299 1.00 0.00 ATOM 589 OD1 ASP 74 29.889 12.464 10.082 1.00 0.00 ATOM 590 OD2 ASP 74 30.259 12.848 12.245 1.00 0.00 ATOM 591 O ASP 74 29.867 7.717 10.480 1.00 0.00 ATOM 592 C ASP 74 29.039 8.438 11.023 1.00 0.00 ATOM 593 N ILE 75 28.083 7.978 11.838 1.00 0.00 ATOM 594 CA ILE 75 27.990 6.538 12.110 1.00 0.00 ATOM 595 CB ILE 75 27.493 6.228 13.536 1.00 0.00 ATOM 596 CG1 ILE 75 28.376 6.967 14.552 1.00 0.00 ATOM 597 CG2 ILE 75 27.577 4.712 13.798 1.00 0.00 ATOM 598 CD1 ILE 75 27.771 6.984 15.956 1.00 0.00 ATOM 599 O ILE 75 26.307 5.017 11.243 1.00 0.00 ATOM 600 C ILE 75 27.177 5.838 11.006 1.00 0.00 ATOM 601 N ASP 76 27.557 6.168 9.767 1.00 0.00 ATOM 602 CA ASP 76 27.002 5.513 8.566 1.00 0.00 ATOM 603 CB ASP 76 27.368 6.287 7.292 1.00 0.00 ATOM 604 CG ASP 76 26.472 5.920 6.105 1.00 0.00 ATOM 605 OD1 ASP 76 25.409 5.281 6.319 1.00 0.00 ATOM 606 OD2 ASP 76 26.898 6.172 4.960 1.00 0.00 ATOM 607 O ASP 76 28.220 3.606 9.400 1.00 0.00 ATOM 608 C ASP 76 27.601 4.098 8.454 1.00 0.00 ATOM 609 N CYS 77 27.415 3.458 7.304 1.00 0.00 ATOM 610 CA CYS 77 27.943 2.115 7.091 1.00 0.00 ATOM 611 CB CYS 77 29.478 2.165 7.188 1.00 0.00 ATOM 612 SG CYS 77 30.160 3.400 6.034 1.00 0.00 ATOM 613 O CYS 77 27.948 0.115 8.456 1.00 0.00 ATOM 614 C CYS 77 27.363 1.138 8.112 1.00 0.00 ATOM 615 N SER 78 26.179 1.493 8.610 1.00 0.00 ATOM 616 CA SER 78 25.479 0.652 9.576 1.00 0.00 ATOM 617 CB SER 78 24.217 1.412 10.012 1.00 0.00 ATOM 618 OG SER 78 23.229 1.412 8.995 1.00 0.00 ATOM 619 O SER 78 25.333 -0.768 7.629 1.00 0.00 ATOM 620 C SER 78 25.093 -0.644 8.831 1.00 0.00 ATOM 621 N GLN 79 24.498 -1.593 9.548 1.00 0.00 ATOM 622 CA GLN 79 24.088 -2.854 8.940 1.00 0.00 ATOM 623 CB GLN 79 23.275 -3.755 9.884 1.00 0.00 ATOM 624 CG GLN 79 22.632 -4.950 9.170 1.00 0.00 ATOM 625 CD GLN 79 23.675 -5.952 8.653 1.00 0.00 ATOM 626 OE1 GLN 79 24.254 -6.700 9.423 1.00 0.00 ATOM 627 NE2 GLN 79 23.983 -5.959 7.380 1.00 0.00 ATOM 628 O GLN 79 23.229 -3.343 6.748 1.00 0.00 ATOM 629 C GLN 79 23.131 -2.648 7.761 1.00 0.00 ATOM 630 N LYS 80 22.213 -1.697 7.897 1.00 0.00 ATOM 631 CA LYS 80 21.255 -1.414 6.835 1.00 0.00 ATOM 632 CB LYS 80 20.040 -2.383 6.885 1.00 0.00 ATOM 633 CG LYS 80 20.382 -3.868 6.837 1.00 0.00 ATOM 634 CD LYS 80 19.164 -4.728 7.147 1.00 0.00 ATOM 635 CE LYS 80 19.579 -6.076 7.719 1.00 0.00 ATOM 636 NZ LYS 80 18.433 -6.836 8.304 1.00 0.00 ATOM 637 O LYS 80 20.797 0.698 7.890 1.00 0.00 ATOM 638 C LYS 80 20.935 0.071 6.849 1.00 0.00 ATOM 639 N VAL 81 20.754 0.570 5.646 1.00 0.00 ATOM 640 CA VAL 81 20.270 1.943 5.441 1.00 0.00 ATOM 641 CB VAL 81 21.136 2.713 4.482 1.00 0.00 ATOM 642 CG1 VAL 81 20.513 4.133 4.159 1.00 0.00 ATOM 643 CG2 VAL 81 22.547 2.864 5.014 1.00 0.00 ATOM 644 O VAL 81 18.621 1.145 3.924 1.00 0.00 ATOM 645 C VAL 81 18.865 1.862 4.886 1.00 0.00 ATOM 646 N VAL 82 17.987 2.580 5.496 1.00 0.00 ATOM 647 CA VAL 82 16.558 2.511 5.187 1.00 0.00 ATOM 648 CB VAL 82 15.657 2.065 6.343 1.00 0.00 ATOM 649 CG1 VAL 82 14.173 2.094 5.964 1.00 0.00 ATOM 650 CG2 VAL 82 16.066 0.693 6.862 1.00 0.00 ATOM 651 O VAL 82 16.290 4.891 5.342 1.00 0.00 ATOM 652 C VAL 82 16.072 3.869 4.690 1.00 0.00 ATOM 653 N VAL 83 15.414 3.877 3.535 1.00 0.00 ATOM 654 CA VAL 83 14.918 5.095 2.984 1.00 0.00 ATOM 655 CB VAL 83 15.343 5.369 1.522 1.00 0.00 ATOM 656 CG1 VAL 83 16.838 5.584 1.489 1.00 0.00 ATOM 657 CG2 VAL 83 14.952 4.260 0.596 1.00 0.00 ATOM 658 O VAL 83 12.707 4.058 3.083 1.00 0.00 ATOM 659 C VAL 83 13.337 5.117 3.103 1.00 0.00 ATOM 660 N TYR 84 12.749 6.302 3.222 1.00 0.00 ATOM 661 CA TYR 84 11.300 6.421 3.334 1.00 0.00 ATOM 662 CB TYR 84 10.718 6.974 4.639 1.00 0.00 ATOM 663 CG TYR 84 11.482 8.122 5.267 1.00 0.00 ATOM 664 CD1 TYR 84 11.156 9.445 5.005 1.00 0.00 ATOM 665 CD2 TYR 84 12.314 7.799 6.320 1.00 0.00 ATOM 666 CE1 TYR 84 11.670 10.417 5.838 1.00 0.00 ATOM 667 CE2 TYR 84 12.829 8.762 7.145 1.00 0.00 ATOM 668 CZ TYR 84 12.492 10.075 6.910 1.00 0.00 ATOM 669 OH TYR 84 12.840 10.923 7.913 1.00 0.00 ATOM 670 O TYR 84 11.248 8.181 1.703 1.00 0.00 ATOM 671 C TYR 84 10.647 7.267 2.266 1.00 0.00 ATOM 672 N ASP 85 9.339 7.091 2.262 1.00 0.00 ATOM 673 CA ASP 85 8.486 7.882 1.407 1.00 0.00 ATOM 674 CB ASP 85 8.198 6.957 0.242 1.00 0.00 ATOM 675 CG ASP 85 7.936 7.742 -1.013 1.00 0.00 ATOM 676 OD1 ASP 85 7.100 8.662 -0.913 1.00 0.00 ATOM 677 OD2 ASP 85 8.568 7.414 -2.025 1.00 0.00 ATOM 678 O ASP 85 7.091 7.984 3.352 1.00 0.00 ATOM 679 C ASP 85 7.244 8.318 2.181 1.00 0.00 ATOM 680 N GLN 86 6.433 9.182 1.602 1.00 0.00 ATOM 681 CA GLN 86 5.150 9.570 2.217 1.00 0.00 ATOM 682 CB GLN 86 4.342 10.543 1.363 1.00 0.00 ATOM 683 CG GLN 86 4.931 11.949 1.408 1.00 0.00 ATOM 684 CD GLN 86 4.753 12.633 2.758 1.00 0.00 ATOM 685 OE1 GLN 86 3.672 13.050 3.121 1.00 0.00 ATOM 686 NE2 GLN 86 5.822 12.762 3.512 1.00 0.00 ATOM 687 O GLN 86 4.137 7.898 3.572 1.00 0.00 ATOM 688 C GLN 86 4.339 8.294 2.423 1.00 0.00 ATOM 689 N SER 87 4.131 7.570 1.321 1.00 0.00 ATOM 690 CA SER 87 3.386 6.298 1.358 1.00 0.00 ATOM 691 CB SER 87 1.890 6.585 1.493 1.00 0.00 ATOM 692 OG SER 87 1.468 7.240 0.306 1.00 0.00 ATOM 693 O SER 87 2.780 4.705 -0.361 1.00 0.00 ATOM 694 C SER 87 3.649 5.449 0.104 1.00 0.00 ATOM 695 N SER 88 4.915 5.409 -0.289 1.00 0.00 ATOM 696 CA SER 88 5.256 4.699 -1.523 1.00 0.00 ATOM 697 CB SER 88 6.178 5.495 -2.423 1.00 0.00 ATOM 698 OG SER 88 5.529 6.726 -2.779 1.00 0.00 ATOM 699 O SER 88 6.710 2.957 -0.582 1.00 0.00 ATOM 700 C SER 88 5.729 3.275 -1.240 1.00 0.00 ATOM 701 N GLN 89 4.889 2.374 -1.709 1.00 0.00 ATOM 702 CA GLN 89 5.230 0.954 -1.743 1.00 0.00 ATOM 703 CB GLN 89 3.924 0.160 -1.675 1.00 0.00 ATOM 704 CG GLN 89 3.097 0.584 -0.457 1.00 0.00 ATOM 705 CD GLN 89 1.739 -0.091 -0.428 1.00 0.00 ATOM 706 OE1 GLN 89 1.387 -1.005 -1.164 1.00 0.00 ATOM 707 NE2 GLN 89 0.995 0.234 0.589 1.00 0.00 ATOM 708 O GLN 89 6.117 -0.468 -3.473 1.00 0.00 ATOM 709 C GLN 89 5.997 0.676 -3.036 1.00 0.00 ATOM 710 N ASP 90 6.497 1.838 -3.627 1.00 0.00 ATOM 711 CA ASP 90 7.275 1.749 -4.864 1.00 0.00 ATOM 712 CB ASP 90 7.797 3.159 -5.125 1.00 0.00 ATOM 713 CG ASP 90 6.654 4.144 -5.366 1.00 0.00 ATOM 714 OD1 ASP 90 5.485 3.698 -5.399 1.00 0.00 ATOM 715 OD2 ASP 90 6.981 5.349 -5.449 1.00 0.00 ATOM 716 O ASP 90 7.988 -0.477 -5.322 1.00 0.00 ATOM 717 C ASP 90 8.315 0.648 -4.939 1.00 0.00 ATOM 718 N VAL 91 9.562 0.984 -4.631 1.00 0.00 ATOM 719 CA VAL 91 10.708 0.080 -4.815 1.00 0.00 ATOM 720 CB VAL 91 10.496 -1.382 -4.342 1.00 0.00 ATOM 721 CG1 VAL 91 11.751 -2.220 -4.585 1.00 0.00 ATOM 722 CG2 VAL 91 10.170 -1.514 -2.861 1.00 0.00 ATOM 723 O VAL 91 11.513 1.110 -6.826 1.00 0.00 ATOM 724 C VAL 91 10.979 0.125 -6.315 1.00 0.00 ATOM 725 N ALA 92 10.613 -0.941 -7.019 1.00 0.00 ATOM 726 CA ALA 92 10.823 -1.014 -8.485 1.00 0.00 ATOM 727 CB ALA 92 10.503 -2.497 -8.914 1.00 0.00 ATOM 728 O ALA 92 10.468 0.484 -10.325 1.00 0.00 ATOM 729 C ALA 92 10.007 -0.014 -9.296 1.00 0.00 ATOM 730 N SER 93 8.796 0.279 -8.834 1.00 0.00 ATOM 731 CA SER 93 7.919 1.233 -9.532 1.00 0.00 ATOM 732 CB SER 93 6.494 1.171 -8.978 1.00 0.00 ATOM 733 OG SER 93 6.488 1.680 -7.651 1.00 0.00 ATOM 734 O SER 93 8.010 3.552 -10.235 1.00 0.00 ATOM 735 C SER 93 8.438 2.703 -9.454 1.00 0.00 ATOM 736 N LEU 94 9.342 2.974 -8.519 1.00 0.00 ATOM 737 CA LEU 94 9.891 4.316 -8.365 1.00 0.00 ATOM 738 CB LEU 94 10.798 4.290 -7.129 1.00 0.00 ATOM 739 CG LEU 94 11.226 5.659 -6.636 1.00 0.00 ATOM 740 CD1 LEU 94 10.087 6.437 -5.979 1.00 0.00 ATOM 741 CD2 LEU 94 12.344 5.407 -5.653 1.00 0.00 ATOM 742 O LEU 94 11.641 4.175 -9.980 1.00 0.00 ATOM 743 C LEU 94 10.609 4.743 -9.619 1.00 0.00 ATOM 744 N SER 95 10.066 5.751 -10.294 1.00 0.00 ATOM 745 CA SER 95 10.673 6.252 -11.521 1.00 0.00 ATOM 746 CB SER 95 9.676 7.143 -12.293 1.00 0.00 ATOM 747 OG SER 95 9.560 8.388 -11.662 1.00 0.00 ATOM 748 O SER 95 12.200 7.475 -10.122 1.00 0.00 ATOM 749 C SER 95 11.955 7.050 -11.245 1.00 0.00 ATOM 750 N SER 96 12.742 7.279 -12.296 1.00 0.00 ATOM 751 CA SER 96 14.091 7.886 -12.175 1.00 0.00 ATOM 752 CB SER 96 14.854 7.855 -13.495 1.00 0.00 ATOM 753 OG SER 96 14.198 8.752 -14.393 1.00 0.00 ATOM 754 O SER 96 14.989 9.750 -10.948 1.00 0.00 ATOM 755 C SER 96 14.065 9.325 -11.637 1.00 0.00 ATOM 756 N ASP 97 12.961 10.037 -11.887 1.00 0.00 ATOM 757 CA ASP 97 12.792 11.434 -11.464 1.00 0.00 ATOM 758 CB ASP 97 11.477 11.935 -12.177 1.00 0.00 ATOM 759 CG ASP 97 11.556 11.962 -13.697 1.00 0.00 ATOM 760 OD1 ASP 97 12.670 11.893 -14.253 1.00 0.00 ATOM 761 OD2 ASP 97 10.537 12.079 -14.415 1.00 0.00 ATOM 762 O ASP 97 13.085 12.646 -9.434 1.00 0.00 ATOM 763 C ASP 97 12.697 11.615 -9.957 1.00 0.00 ATOM 764 N CYS 98 12.175 10.578 -9.303 1.00 0.00 ATOM 765 CA CYS 98 11.929 10.664 -7.869 1.00 0.00 ATOM 766 CB CYS 98 11.203 9.417 -7.385 1.00 0.00 ATOM 767 SG CYS 98 9.552 9.350 -8.143 1.00 0.00 ATOM 768 O CYS 98 14.275 10.198 -7.489 1.00 0.00 ATOM 769 C CYS 98 13.259 10.800 -7.142 1.00 0.00 ATOM 770 N PHE 99 13.194 11.611 -6.096 1.00 0.00 ATOM 771 CA PHE 99 14.374 11.864 -5.243 1.00 0.00 ATOM 772 CB PHE 99 13.637 12.567 -3.858 1.00 0.00 ATOM 773 CG PHE 99 12.658 13.699 -3.988 1.00 0.00 ATOM 774 CD1 PHE 99 11.286 13.461 -3.987 1.00 0.00 ATOM 775 CD2 PHE 99 13.110 15.010 -4.093 1.00 0.00 ATOM 776 CE1 PHE 99 10.381 14.514 -4.086 1.00 0.00 ATOM 777 CE2 PHE 99 12.211 16.070 -4.191 1.00 0.00 ATOM 778 CZ PHE 99 10.843 15.818 -4.186 1.00 0.00 ATOM 779 O PHE 99 16.075 10.373 -4.459 1.00 0.00 ATOM 780 C PHE 99 14.876 10.578 -4.603 1.00 0.00 ATOM 781 N LEU 100 13.930 9.741 -4.234 1.00 0.00 ATOM 782 CA LEU 100 14.312 8.473 -3.635 1.00 0.00 ATOM 783 CB LEU 100 13.024 7.835 -3.123 1.00 0.00 ATOM 784 CG LEU 100 13.225 6.456 -2.530 1.00 0.00 ATOM 785 CD1 LEU 100 14.169 6.511 -1.334 1.00 0.00 ATOM 786 CD2 LEU 100 11.839 5.948 -2.152 1.00 0.00 ATOM 787 O LEU 100 16.124 7.007 -4.206 1.00 0.00 ATOM 788 C LEU 100 15.146 7.643 -4.604 1.00 0.00 ATOM 789 N THR 101 14.761 7.648 -5.876 1.00 0.00 ATOM 790 CA THR 101 15.500 6.872 -6.929 1.00 0.00 ATOM 791 CB THR 101 14.879 6.939 -8.331 1.00 0.00 ATOM 792 CG2 THR 101 15.704 6.203 -9.388 1.00 0.00 ATOM 793 OG1 THR 101 13.595 6.335 -8.245 1.00 0.00 ATOM 794 O THR 101 17.884 6.663 -7.104 1.00 0.00 ATOM 795 C THR 101 16.918 7.424 -7.041 1.00 0.00 ATOM 796 N VAL 102 17.040 8.747 -7.063 1.00 0.00 ATOM 797 CA VAL 102 18.350 9.385 -7.165 1.00 0.00 ATOM 798 CB VAL 102 18.263 10.908 -7.310 1.00 0.00 ATOM 799 CG1 VAL 102 19.637 11.587 -7.260 1.00 0.00 ATOM 800 CG2 VAL 102 17.599 11.201 -8.662 1.00 0.00 ATOM 801 O VAL 102 20.350 8.615 -6.090 1.00 0.00 ATOM 802 C VAL 102 19.185 8.993 -5.955 1.00 0.00 ATOM 803 N LEU 103 18.590 9.081 -4.770 1.00 0.00 ATOM 804 CA LEU 103 19.294 8.729 -3.542 1.00 0.00 ATOM 805 CB LEU 103 18.469 9.146 -2.328 1.00 0.00 ATOM 806 CG LEU 103 18.310 10.659 -2.278 1.00 0.00 ATOM 807 CD1 LEU 103 17.408 11.044 -1.094 1.00 0.00 ATOM 808 CD2 LEU 103 19.674 11.351 -2.235 1.00 0.00 ATOM 809 O LEU 103 20.720 6.860 -3.062 1.00 0.00 ATOM 810 C LEU 103 19.634 7.243 -3.500 1.00 0.00 ATOM 811 N LEU 104 18.707 6.408 -3.958 1.00 0.00 ATOM 812 CA LEU 104 18.925 4.957 -3.970 1.00 0.00 ATOM 813 CB LEU 104 17.802 4.172 -4.494 1.00 0.00 ATOM 814 CG LEU 104 16.578 4.146 -3.609 1.00 0.00 ATOM 815 CD1 LEU 104 15.381 3.651 -4.341 1.00 0.00 ATOM 816 CD2 LEU 104 16.844 3.342 -2.354 1.00 0.00 ATOM 817 O LEU 104 21.006 3.865 -4.471 1.00 0.00 ATOM 818 C LEU 104 20.104 4.600 -4.874 1.00 0.00 ATOM 819 N GLY 105 20.078 5.100 -6.113 1.00 0.00 ATOM 820 CA GLY 105 21.155 4.813 -7.043 1.00 0.00 ATOM 821 O GLY 105 23.504 4.735 -6.594 1.00 0.00 ATOM 822 C GLY 105 22.462 5.382 -6.491 1.00 0.00 ATOM 823 N LYS 106 22.404 6.601 -5.923 1.00 0.00 ATOM 824 CA LYS 106 23.590 7.181 -5.311 1.00 0.00 ATOM 825 CB LYS 106 23.281 8.562 -4.738 1.00 0.00 ATOM 826 CG LYS 106 24.547 9.216 -4.193 1.00 0.00 ATOM 827 CD LYS 106 25.517 9.633 -5.289 1.00 0.00 ATOM 828 CE LYS 106 26.664 10.371 -4.643 1.00 0.00 ATOM 829 NZ LYS 106 27.590 10.838 -5.674 1.00 0.00 ATOM 830 O LYS 106 25.343 6.076 -4.045 1.00 0.00 ATOM 831 C LYS 106 24.139 6.263 -4.213 1.00 0.00 ATOM 832 N LEU 107 23.259 5.686 -3.404 1.00 0.00 ATOM 833 CA LEU 107 23.653 4.803 -2.294 1.00 0.00 ATOM 834 CB LEU 107 22.419 4.493 -1.451 1.00 0.00 ATOM 835 CG LEU 107 21.969 5.746 -0.704 1.00 0.00 ATOM 836 CD1 LEU 107 20.543 5.679 -0.172 1.00 0.00 ATOM 837 CD2 LEU 107 22.904 5.928 0.466 1.00 0.00 ATOM 838 O LEU 107 25.347 3.098 -2.338 1.00 0.00 ATOM 839 C LEU 107 24.287 3.505 -2.803 1.00 0.00 ATOM 840 N GLU 108 23.721 2.979 -3.881 1.00 0.00 ATOM 841 CA GLU 108 24.299 1.791 -4.547 1.00 0.00 ATOM 842 CB GLU 108 23.500 1.270 -5.689 1.00 0.00 ATOM 843 CG GLU 108 22.203 0.586 -5.252 1.00 0.00 ATOM 844 CD GLU 108 22.415 -0.562 -4.266 1.00 0.00 ATOM 845 OE1 GLU 108 23.351 -1.374 -4.460 1.00 0.00 ATOM 846 OE2 GLU 108 21.627 -0.662 -3.299 1.00 0.00 ATOM 847 O GLU 108 26.653 1.428 -4.828 1.00 0.00 ATOM 848 C GLU 108 25.698 2.182 -5.013 1.00 0.00 ATOM 849 N LYS 109 25.816 3.362 -5.615 1.00 0.00 ATOM 850 CA LYS 109 27.120 3.846 -6.103 1.00 0.00 ATOM 851 CB LYS 109 27.141 5.230 -6.692 1.00 0.00 ATOM 852 CG LYS 109 26.419 5.267 -8.053 1.00 0.00 ATOM 853 CD LYS 109 26.514 6.646 -8.715 1.00 0.00 ATOM 854 CE LYS 109 25.585 6.753 -9.922 1.00 0.00 ATOM 855 NZ LYS 109 25.315 8.172 -10.385 1.00 0.00 ATOM 856 O LYS 109 29.225 3.448 -4.998 1.00 0.00 ATOM 857 C LYS 109 28.104 3.918 -4.923 1.00 0.00 ATOM 858 N SER 110 27.608 4.423 -3.793 1.00 0.00 ATOM 859 CA SER 110 28.401 4.517 -2.557 1.00 0.00 ATOM 860 CB SER 110 27.815 5.570 -1.607 1.00 0.00 ATOM 861 OG SER 110 26.464 5.304 -1.228 1.00 0.00 ATOM 862 O SER 110 29.083 3.165 -0.696 1.00 0.00 ATOM 863 C SER 110 28.667 3.189 -1.855 1.00 0.00 ATOM 864 N PHE 111 28.428 2.088 -2.558 1.00 0.00 ATOM 865 CA PHE 111 28.651 0.723 -1.981 1.00 0.00 ATOM 866 CB PHE 111 30.157 0.547 -1.784 1.00 0.00 ATOM 867 CG PHE 111 31.025 0.681 -3.024 1.00 0.00 ATOM 868 CD1 PHE 111 30.542 0.238 -4.252 1.00 0.00 ATOM 869 CD2 PHE 111 32.297 1.235 -2.929 1.00 0.00 ATOM 870 CE1 PHE 111 31.325 0.380 -5.377 1.00 0.00 ATOM 871 CE2 PHE 111 33.081 1.375 -4.063 1.00 0.00 ATOM 872 CZ PHE 111 32.595 0.952 -5.303 1.00 0.00 ATOM 873 O PHE 111 28.207 -0.482 0.035 1.00 0.00 ATOM 874 C PHE 111 27.780 0.296 -0.819 1.00 0.00 ATOM 875 N ASN 112 26.550 0.800 -0.784 1.00 0.00 ATOM 876 CA ASN 112 25.622 0.456 0.286 1.00 0.00 ATOM 877 CB ASN 112 25.195 1.635 1.155 1.00 0.00 ATOM 878 CG ASN 112 26.380 2.224 1.914 1.00 0.00 ATOM 879 ND2 ASN 112 26.701 3.443 1.587 1.00 0.00 ATOM 880 OD1 ASN 112 27.007 1.640 2.767 1.00 0.00 ATOM 881 O ASN 112 23.853 0.429 -1.335 1.00 0.00 ATOM 882 C ASN 112 24.348 -0.101 -0.339 1.00 0.00 ATOM 883 N SER 113 23.816 -1.169 0.248 1.00 0.00 ATOM 884 CA SER 113 22.596 -1.783 -0.264 1.00 0.00 ATOM 885 CB SER 113 22.722 -3.303 -0.240 1.00 0.00 ATOM 886 OG SER 113 21.528 -3.922 -0.749 1.00 0.00 ATOM 887 O SER 113 21.368 -1.754 1.807 1.00 0.00 ATOM 888 C SER 113 21.442 -1.355 0.637 1.00 0.00 ATOM 889 N VAL 114 20.675 -0.415 0.130 1.00 0.00 ATOM 890 CA VAL 114 19.630 0.212 0.956 1.00 0.00 ATOM 891 CB VAL 114 19.450 1.700 0.660 1.00 0.00 ATOM 892 CG1 VAL 114 20.732 2.442 1.016 1.00 0.00 ATOM 893 CG2 VAL 114 19.136 1.947 -0.811 1.00 0.00 ATOM 894 O VAL 114 18.031 -1.162 -0.208 1.00 0.00 ATOM 895 C VAL 114 18.294 -0.496 0.795 1.00 0.00 ATOM 896 N HIS 115 17.522 -0.400 1.854 1.00 0.00 ATOM 897 CA HIS 115 16.175 -0.967 1.880 1.00 0.00 ATOM 898 CB HIS 115 15.977 -1.761 3.154 1.00 0.00 ATOM 899 CG HIS 115 16.928 -2.907 3.283 1.00 0.00 ATOM 900 CD2 HIS 115 18.163 -2.979 3.834 1.00 0.00 ATOM 901 ND1 HIS 115 16.676 -4.149 2.745 1.00 0.00 ATOM 902 CE1 HIS 115 17.714 -4.938 2.957 1.00 0.00 ATOM 903 NE2 HIS 115 18.631 -4.252 3.615 1.00 0.00 ATOM 904 O HIS 115 15.471 1.250 2.469 1.00 0.00 ATOM 905 C HIS 115 15.174 0.181 1.933 1.00 0.00 ATOM 906 N LEU 116 13.987 -0.039 1.376 1.00 0.00 ATOM 907 CA LEU 116 12.950 0.988 1.370 1.00 0.00 ATOM 908 CB LEU 116 12.363 1.171 -0.032 1.00 0.00 ATOM 909 CG LEU 116 11.229 2.202 -0.125 1.00 0.00 ATOM 910 CD1 LEU 116 11.690 3.606 0.272 1.00 0.00 ATOM 911 CD2 LEU 116 10.625 2.235 -1.523 1.00 0.00 ATOM 912 O LEU 116 11.457 -0.586 2.394 1.00 0.00 ATOM 913 C LEU 116 11.878 0.571 2.373 1.00 0.00 ATOM 914 N LEU 117 11.441 1.514 3.201 1.00 0.00 ATOM 915 CA LEU 117 10.421 1.227 4.192 1.00 0.00 ATOM 916 CB LEU 117 10.384 2.343 5.228 1.00 0.00 ATOM 917 CG LEU 117 9.379 2.107 6.376 1.00 0.00 ATOM 918 CD1 LEU 117 9.794 0.896 7.214 1.00 0.00 ATOM 919 CD2 LEU 117 9.227 3.325 7.279 1.00 0.00 ATOM 920 O LEU 117 8.551 2.109 2.974 1.00 0.00 ATOM 921 C LEU 117 9.059 1.126 3.516 1.00 0.00 ATOM 922 N ALA 118 8.467 -0.063 3.547 1.00 0.00 ATOM 923 CA ALA 118 7.159 -0.275 2.934 1.00 0.00 ATOM 924 CB ALA 118 6.782 -1.748 3.130 1.00 0.00 ATOM 925 O ALA 118 5.967 0.785 4.736 1.00 0.00 ATOM 926 C ALA 118 6.094 0.664 3.517 1.00 0.00 ATOM 927 N GLY 119 5.336 1.322 2.645 1.00 0.00 ATOM 928 CA GLY 119 4.293 2.239 3.091 1.00 0.00 ATOM 929 O GLY 119 4.038 4.442 3.962 1.00 0.00 ATOM 930 C GLY 119 4.817 3.572 3.597 1.00 0.00 ATOM 931 N GLY 120 6.188 3.737 3.633 1.00 0.00 ATOM 932 CA GLY 120 6.791 5.017 3.989 1.00 0.00 ATOM 933 O GLY 120 6.034 4.639 6.273 1.00 0.00 ATOM 934 C GLY 120 6.443 5.425 5.423 1.00 0.00 ATOM 935 N PHE 121 6.572 6.727 5.628 1.00 0.00 ATOM 936 CA PHE 121 6.406 7.416 6.908 1.00 0.00 ATOM 937 CB PHE 121 6.877 8.868 6.740 1.00 0.00 ATOM 938 CG PHE 121 6.842 9.639 8.067 1.00 0.00 ATOM 939 CD1 PHE 121 7.710 9.321 9.098 1.00 0.00 ATOM 940 CD2 PHE 121 5.916 10.656 8.264 1.00 0.00 ATOM 941 CE1 PHE 121 7.703 9.990 10.310 1.00 0.00 ATOM 942 CE2 PHE 121 5.909 11.315 9.485 1.00 0.00 ATOM 943 CZ PHE 121 6.778 10.996 10.507 1.00 0.00 ATOM 944 O PHE 121 4.734 7.283 8.625 1.00 0.00 ATOM 945 C PHE 121 4.969 7.389 7.420 1.00 0.00 ATOM 946 N ALA 122 4.010 7.486 6.504 1.00 0.00 ATOM 947 CA ALA 122 2.574 7.468 6.881 1.00 0.00 ATOM 948 CB ALA 122 1.687 7.613 5.636 1.00 0.00 ATOM 949 O ALA 122 1.721 6.225 8.765 1.00 0.00 ATOM 950 C ALA 122 2.273 6.172 7.666 1.00 0.00 ATOM 951 N GLU 123 2.636 5.028 7.095 1.00 0.00 ATOM 952 CA GLU 123 2.400 3.748 7.753 1.00 0.00 ATOM 953 CB GLU 123 2.659 2.577 6.797 1.00 0.00 ATOM 954 CG GLU 123 1.445 2.348 5.896 1.00 0.00 ATOM 955 CD GLU 123 0.119 2.144 6.656 1.00 0.00 ATOM 956 OE1 GLU 123 0.060 1.432 7.676 1.00 0.00 ATOM 957 OE2 GLU 123 -0.858 2.787 6.242 1.00 0.00 ATOM 958 O GLU 123 2.777 3.097 10.029 1.00 0.00 ATOM 959 C GLU 123 3.245 3.609 9.012 1.00 0.00 ATOM 960 N PHE 124 4.492 4.065 8.944 1.00 0.00 ATOM 961 CA PHE 124 5.390 3.986 10.091 1.00 0.00 ATOM 962 CB PHE 124 6.766 4.516 9.703 1.00 0.00 ATOM 963 CG PHE 124 7.766 4.308 10.852 1.00 0.00 ATOM 964 CD1 PHE 124 8.457 3.119 10.973 1.00 0.00 ATOM 965 CD2 PHE 124 7.992 5.341 11.752 1.00 0.00 ATOM 966 CE1 PHE 124 9.385 2.955 11.986 1.00 0.00 ATOM 967 CE2 PHE 124 8.930 5.178 12.774 1.00 0.00 ATOM 968 CZ PHE 124 9.631 3.979 12.887 1.00 0.00 ATOM 969 O PHE 124 4.964 4.341 12.444 1.00 0.00 ATOM 970 C PHE 124 4.856 4.792 11.303 1.00 0.00 ATOM 971 N SER 125 4.291 5.966 11.042 1.00 0.00 ATOM 972 CA SER 125 3.755 6.801 12.110 1.00 0.00 ATOM 973 CB SER 125 3.274 8.161 11.596 1.00 0.00 ATOM 974 OG SER 125 4.382 8.911 11.137 1.00 0.00 ATOM 975 O SER 125 2.490 6.138 14.039 1.00 0.00 ATOM 976 C SER 125 2.585 6.119 12.811 1.00 0.00 ATOM 977 N ARG 126 1.696 5.516 12.028 1.00 0.00 ATOM 978 CA ARG 126 0.527 4.826 12.592 1.00 0.00 ATOM 979 CB ARG 126 -0.347 4.197 11.514 1.00 0.00 ATOM 980 CG ARG 126 -1.111 5.265 10.770 1.00 0.00 ATOM 981 CD ARG 126 -1.852 4.610 9.623 1.00 0.00 ATOM 982 NE ARG 126 -2.506 5.633 8.793 1.00 0.00 ATOM 983 CZ ARG 126 -3.238 5.352 7.719 1.00 0.00 ATOM 984 NH1 ARG 126 -3.853 6.325 7.061 1.00 0.00 ATOM 985 NH2 ARG 126 -3.434 4.092 7.321 1.00 0.00 ATOM 986 O ARG 126 0.396 3.500 14.577 1.00 0.00 ATOM 987 C ARG 126 0.946 3.680 13.490 1.00 0.00 ATOM 988 N CYS 127 1.923 2.901 13.039 1.00 0.00 ATOM 989 CA CYS 127 2.410 1.769 13.821 1.00 0.00 ATOM 990 CB CYS 127 3.157 0.793 12.914 1.00 0.00 ATOM 991 SG CYS 127 2.039 -0.206 11.890 1.00 0.00 ATOM 992 O CYS 127 2.932 1.907 16.174 1.00 0.00 ATOM 993 C CYS 127 3.254 2.227 15.025 1.00 0.00 ATOM 994 N PHE 128 4.242 3.063 14.759 1.00 0.00 ATOM 995 CA PHE 128 5.173 3.482 15.818 1.00 0.00 ATOM 996 CB PHE 128 6.512 2.726 15.666 1.00 0.00 ATOM 997 CG PHE 128 6.388 1.227 15.527 1.00 0.00 ATOM 998 CD1 PHE 128 6.366 0.630 14.267 1.00 0.00 ATOM 999 CD2 PHE 128 6.294 0.414 16.655 1.00 0.00 ATOM 1000 CE1 PHE 128 6.250 -0.756 14.132 1.00 0.00 ATOM 1001 CE2 PHE 128 6.178 -0.973 16.530 1.00 0.00 ATOM 1002 CZ PHE 128 6.155 -1.557 15.268 1.00 0.00 ATOM 1003 O PHE 128 6.485 5.486 15.615 1.00 0.00 ATOM 1004 C PHE 128 5.348 5.004 15.802 1.00 0.00 ATOM 1005 N PRO 129 4.317 5.757 16.168 1.00 0.00 ATOM 1006 CA PRO 129 4.424 7.218 16.293 1.00 0.00 ATOM 1007 CB PRO 129 3.034 7.707 16.640 1.00 0.00 ATOM 1008 CG PRO 129 2.415 6.530 17.375 1.00 0.00 ATOM 1009 CD PRO 129 3.020 5.287 16.719 1.00 0.00 ATOM 1010 O PRO 129 6.141 8.614 17.221 1.00 0.00 ATOM 1011 C PRO 129 5.470 7.587 17.340 1.00 0.00 ATOM 1012 N GLY 130 5.608 6.749 18.362 1.00 0.00 ATOM 1013 CA GLY 130 6.599 7.000 19.445 1.00 0.00 ATOM 1014 O GLY 130 8.951 7.359 19.737 1.00 0.00 ATOM 1015 C GLY 130 8.059 6.876 19.037 1.00 0.00 ATOM 1016 N LEU 131 8.304 6.229 17.902 1.00 0.00 ATOM 1017 CA LEU 131 9.666 6.053 17.411 1.00 0.00 ATOM 1018 CB LEU 131 9.942 4.652 16.878 1.00 0.00 ATOM 1019 CG LEU 131 9.728 3.563 17.915 1.00 0.00 ATOM 1020 CD1 LEU 131 9.881 2.224 17.224 1.00 0.00 ATOM 1021 CD2 LEU 131 10.728 3.637 19.068 1.00 0.00 ATOM 1022 O LEU 131 10.840 6.840 15.473 1.00 0.00 ATOM 1023 C LEU 131 10.006 7.088 16.346 1.00 0.00 ATOM 1024 N CYS 132 9.362 8.249 16.416 1.00 0.00 ATOM 1025 CA CYS 132 9.611 9.310 15.451 1.00 0.00 ATOM 1026 CB CYS 132 8.307 9.591 14.700 1.00 0.00 ATOM 1027 SG CYS 132 7.644 8.085 13.899 1.00 0.00 ATOM 1028 O CYS 132 9.734 10.969 17.147 1.00 0.00 ATOM 1029 C CYS 132 10.086 10.603 16.025 1.00 0.00 ATOM 1030 N GLU 133 10.901 11.319 15.256 1.00 0.00 ATOM 1031 CA GLU 133 11.430 12.601 15.705 1.00 0.00 ATOM 1032 CB GLU 133 12.827 12.693 15.089 1.00 0.00 ATOM 1033 CG GLU 133 13.553 13.998 15.418 1.00 0.00 ATOM 1034 CD GLU 133 13.672 14.246 16.919 1.00 0.00 ATOM 1035 OE1 GLU 133 14.160 13.339 17.621 1.00 0.00 ATOM 1036 OE2 GLU 133 13.430 15.400 17.307 1.00 0.00 ATOM 1037 O GLU 133 10.205 13.824 14.034 1.00 0.00 ATOM 1038 C GLU 133 10.548 13.750 15.208 1.00 0.00 ATOM 1039 N GLY 134 9.955 14.460 16.105 1.00 0.00 ATOM 1040 CA GLY 134 9.242 15.718 15.841 1.00 0.00 ATOM 1041 O GLY 134 11.370 16.724 16.355 1.00 0.00 ATOM 1042 C GLY 134 10.153 16.891 16.156 1.00 0.00 ATOM 1043 N LYS 135 9.636 18.107 16.280 1.00 0.00 ATOM 1044 CA LYS 135 10.324 19.326 16.695 1.00 0.00 ATOM 1045 CB LYS 135 9.381 20.505 16.697 1.00 0.00 ATOM 1046 CG LYS 135 8.149 20.362 17.581 1.00 0.00 ATOM 1047 CD LYS 135 7.228 21.568 17.453 1.00 0.00 ATOM 1048 CE LYS 135 5.974 21.398 18.297 1.00 0.00 ATOM 1049 NZ LYS 135 5.031 22.543 18.128 1.00 0.00 ATOM 1050 O LYS 135 10.204 18.202 18.809 1.00 0.00 ATOM 1051 C LYS 135 10.662 19.192 18.194 1.00 0.00 TER END