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 2 Sat Jun 28 22:26:34 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 13.699 -0.198 -9.139 1.00 0.00 ATOM 2 CA MET 1 13.979 -1.292 -8.199 1.00 0.00 ATOM 3 CB MET 1 13.890 -2.638 -8.914 1.00 0.00 ATOM 4 CG MET 1 13.968 -3.848 -7.992 1.00 0.00 ATOM 5 SD MET 1 13.901 -5.411 -8.889 1.00 0.00 ATOM 6 CE MET 1 15.536 -5.455 -9.617 1.00 0.00 ATOM 7 O MET 1 16.237 -0.540 -8.262 1.00 0.00 ATOM 8 C MET 1 15.359 -1.053 -7.603 1.00 0.00 ATOM 9 N ILE 2 15.495 -1.459 -6.359 1.00 0.00 ATOM 10 CA ILE 2 16.627 -0.996 -5.536 1.00 0.00 ATOM 11 CB ILE 2 16.149 -0.139 -4.349 1.00 0.00 ATOM 12 CG1 ILE 2 15.333 -0.988 -3.371 1.00 0.00 ATOM 13 CG2 ILE 2 15.330 1.044 -4.842 1.00 0.00 ATOM 14 CD1 ILE 2 14.898 -0.243 -2.130 1.00 0.00 ATOM 15 O ILE 2 18.418 -2.160 -4.306 1.00 0.00 ATOM 16 C ILE 2 17.423 -2.217 -5.022 1.00 0.00 ATOM 17 N GLY 3 16.861 -3.388 -5.286 1.00 0.00 ATOM 18 CA GLY 3 17.401 -4.688 -4.852 1.00 0.00 ATOM 19 O GLY 3 15.968 -6.346 -3.897 1.00 0.00 ATOM 20 C GLY 3 16.533 -5.267 -3.732 1.00 0.00 ATOM 21 N THR 4 16.241 -4.437 -2.731 1.00 0.00 ATOM 22 CA THR 4 15.489 -4.902 -1.551 1.00 0.00 ATOM 23 CB THR 4 16.425 -5.199 -0.364 1.00 0.00 ATOM 24 CG2 THR 4 17.491 -6.206 -0.765 1.00 0.00 ATOM 25 OG1 THR 4 17.056 -3.984 0.064 1.00 0.00 ATOM 26 O THR 4 14.114 -2.904 -1.505 1.00 0.00 ATOM 27 C THR 4 14.406 -3.981 -0.994 1.00 0.00 ATOM 28 N GLN 5 13.913 -4.408 0.156 1.00 0.00 ATOM 29 CA GLN 5 12.819 -3.786 0.895 1.00 0.00 ATOM 30 CB GLN 5 11.469 -4.310 0.397 1.00 0.00 ATOM 31 CG GLN 5 11.254 -5.796 0.628 1.00 0.00 ATOM 32 CD GLN 5 9.912 -6.274 0.110 1.00 0.00 ATOM 33 OE1 GLN 5 9.137 -5.498 -0.455 1.00 0.00 ATOM 34 NE2 GLN 5 9.626 -7.556 0.304 1.00 0.00 ATOM 35 O GLN 5 13.709 -5.033 2.780 1.00 0.00 ATOM 36 C GLN 5 13.020 -4.088 2.379 1.00 0.00 ATOM 37 N ILE 6 12.389 -3.231 3.158 1.00 0.00 ATOM 38 CA ILE 6 12.238 -3.454 4.589 1.00 0.00 ATOM 39 CB ILE 6 13.240 -2.613 5.401 1.00 0.00 ATOM 40 CG1 ILE 6 13.136 -2.950 6.891 1.00 0.00 ATOM 41 CG2 ILE 6 13.000 -1.130 5.169 1.00 0.00 ATOM 42 CD1 ILE 6 14.272 -2.398 7.723 1.00 0.00 ATOM 43 O ILE 6 10.205 -2.128 4.587 1.00 0.00 ATOM 44 C ILE 6 10.804 -3.116 5.019 1.00 0.00 ATOM 45 N VAL 7 10.296 -3.956 5.902 1.00 0.00 ATOM 46 CA VAL 7 9.012 -3.661 6.543 1.00 0.00 ATOM 47 CB VAL 7 8.149 -4.896 6.868 1.00 0.00 ATOM 48 CG1 VAL 7 7.944 -5.764 5.624 1.00 0.00 ATOM 49 CG2 VAL 7 8.621 -5.753 8.027 1.00 0.00 ATOM 50 O VAL 7 10.263 -2.706 8.352 1.00 0.00 ATOM 51 C VAL 7 9.187 -2.735 7.747 1.00 0.00 ATOM 52 N THR 8 8.103 -2.076 8.125 1.00 0.00 ATOM 53 CA THR 8 8.078 -1.157 9.278 1.00 0.00 ATOM 54 CB THR 8 6.702 -0.483 9.433 1.00 0.00 ATOM 55 CG2 THR 8 6.370 0.343 8.199 1.00 0.00 ATOM 56 OG1 THR 8 5.694 -1.485 9.618 1.00 0.00 ATOM 57 O THR 8 9.264 -1.373 11.346 1.00 0.00 ATOM 58 C THR 8 8.423 -1.866 10.596 1.00 0.00 ATOM 59 N GLU 9 7.839 -3.043 10.802 1.00 0.00 ATOM 60 CA GLU 9 8.149 -3.854 12.000 1.00 0.00 ATOM 61 CB GLU 9 7.281 -5.114 12.033 1.00 0.00 ATOM 62 CG GLU 9 5.810 -4.856 12.325 1.00 0.00 ATOM 63 CD GLU 9 5.002 -6.121 12.219 1.00 0.00 ATOM 64 OE1 GLU 9 5.558 -7.130 11.860 1.00 0.00 ATOM 65 OE2 GLU 9 3.856 -6.104 12.603 1.00 0.00 ATOM 66 O GLU 9 10.292 -4.098 13.084 1.00 0.00 ATOM 67 C GLU 9 9.632 -4.247 12.061 1.00 0.00 ATOM 68 N ARG 10 10.169 -4.600 10.887 1.00 0.00 ATOM 69 CA ARG 10 11.601 -4.905 10.748 1.00 0.00 ATOM 70 CB ARG 10 11.936 -5.470 9.375 1.00 0.00 ATOM 71 CG ARG 10 13.405 -5.796 9.159 1.00 0.00 ATOM 72 CD ARG 10 13.936 -6.855 10.056 1.00 0.00 ATOM 73 NE ARG 10 15.317 -7.227 9.797 1.00 0.00 ATOM 74 CZ ARG 10 16.064 -8.004 10.604 1.00 0.00 ATOM 75 NH1 ARG 10 15.583 -8.462 11.739 1.00 0.00 ATOM 76 NH2 ARG 10 17.305 -8.276 10.238 1.00 0.00 ATOM 77 O ARG 10 13.410 -3.778 11.849 1.00 0.00 ATOM 78 C ARG 10 12.471 -3.694 11.073 1.00 0.00 ATOM 79 N LEU 11 12.077 -2.541 10.522 1.00 0.00 ATOM 80 CA LEU 11 12.776 -1.276 10.765 1.00 0.00 ATOM 81 CB LEU 11 12.127 -0.148 9.955 1.00 0.00 ATOM 82 CG LEU 11 12.632 1.265 10.281 1.00 0.00 ATOM 83 CD1 LEU 11 14.148 1.316 10.168 1.00 0.00 ATOM 84 CD2 LEU 11 11.984 2.267 9.337 1.00 0.00 ATOM 85 O LEU 11 13.842 -0.525 12.786 1.00 0.00 ATOM 86 C LEU 11 12.796 -0.903 12.253 1.00 0.00 ATOM 87 N VAL 12 11.669 -1.134 12.918 1.00 0.00 ATOM 88 CA VAL 12 11.522 -0.846 14.355 1.00 0.00 ATOM 89 CB VAL 12 10.055 -1.020 14.738 1.00 0.00 ATOM 90 CG1 VAL 12 9.815 -0.975 16.247 1.00 0.00 ATOM 91 CG2 VAL 12 9.331 0.152 14.095 1.00 0.00 ATOM 92 O VAL 12 13.295 -1.168 15.918 1.00 0.00 ATOM 93 C VAL 12 12.456 -1.710 15.197 1.00 0.00 ATOM 94 N ALA 13 12.458 -2.994 14.867 1.00 0.00 ATOM 95 CA ALA 13 13.347 -3.981 15.500 1.00 0.00 ATOM 96 CB ALA 13 12.982 -5.318 14.869 1.00 0.00 ATOM 97 O ALA 13 15.662 -3.592 16.180 1.00 0.00 ATOM 98 C ALA 13 14.827 -3.605 15.276 1.00 0.00 ATOM 99 N LEU 14 15.118 -3.126 14.073 1.00 0.00 ATOM 100 CA LEU 14 16.476 -2.675 13.728 1.00 0.00 ATOM 101 CB LEU 14 16.564 -2.359 12.229 1.00 0.00 ATOM 102 CG LEU 14 16.680 -3.582 11.310 1.00 0.00 ATOM 103 CD1 LEU 14 16.770 -3.136 9.857 1.00 0.00 ATOM 104 CD2 LEU 14 17.904 -4.397 11.700 1.00 0.00 ATOM 105 O LEU 14 18.002 -1.485 15.107 1.00 0.00 ATOM 106 C LEU 14 16.923 -1.454 14.530 1.00 0.00 ATOM 107 N LEU 15 16.051 -0.451 14.577 1.00 0.00 ATOM 108 CA LEU 15 16.318 0.775 15.349 1.00 0.00 ATOM 109 CB LEU 15 15.171 1.776 15.167 1.00 0.00 ATOM 110 CG LEU 15 15.345 3.110 15.905 1.00 0.00 ATOM 111 CD1 LEU 15 16.588 3.828 15.401 1.00 0.00 ATOM 112 CD2 LEU 15 14.105 3.969 15.702 1.00 0.00 ATOM 113 O LEU 15 17.492 0.929 17.445 1.00 0.00 ATOM 114 C LEU 15 16.520 0.453 16.843 1.00 0.00 ATOM 115 N GLU 16 15.726 -0.478 17.356 1.00 0.00 ATOM 116 CA GLU 16 15.864 -0.943 18.751 1.00 0.00 ATOM 117 CB GLU 16 14.693 -1.852 19.130 1.00 0.00 ATOM 118 CG GLU 16 13.358 -1.134 19.268 1.00 0.00 ATOM 119 CD GLU 16 12.238 -2.106 19.512 1.00 0.00 ATOM 120 OE1 GLU 16 12.488 -3.288 19.499 1.00 0.00 ATOM 121 OE2 GLU 16 11.155 -1.669 19.823 1.00 0.00 ATOM 122 O GLU 16 17.862 -1.380 19.975 1.00 0.00 ATOM 123 C GLU 16 17.177 -1.680 18.994 1.00 0.00 ATOM 124 N SER 17 17.540 -2.566 18.063 1.00 0.00 ATOM 125 CA SER 17 18.766 -3.377 18.156 1.00 0.00 ATOM 126 CB SER 17 18.873 -4.344 16.974 1.00 0.00 ATOM 127 OG SER 17 20.098 -5.105 17.037 1.00 0.00 ATOM 128 O SER 17 20.475 -1.919 17.244 1.00 0.00 ATOM 129 C SER 17 20.039 -2.526 18.217 1.00 0.00 ATOM 130 N GLY 18 20.686 -2.606 19.371 1.00 0.00 ATOM 131 CA GLY 18 22.048 -2.070 19.584 1.00 0.00 ATOM 132 O GLY 18 24.040 -2.188 18.227 1.00 0.00 ATOM 133 C GLY 18 23.117 -2.804 18.756 1.00 0.00 ATOM 134 N THR 19 22.939 -4.111 18.586 1.00 0.00 ATOM 135 CA THR 19 23.881 -4.978 17.858 1.00 0.00 ATOM 136 CB THR 19 23.521 -6.467 18.021 1.00 0.00 ATOM 137 CG2 THR 19 24.473 -7.336 17.214 1.00 0.00 ATOM 138 OG1 THR 19 23.603 -6.831 19.405 1.00 0.00 ATOM 139 O THR 19 24.969 -4.239 15.908 1.00 0.00 ATOM 140 C THR 19 23.898 -4.619 16.385 1.00 0.00 ATOM 141 N GLU 20 22.718 -4.551 15.798 1.00 0.00 ATOM 142 CA GLU 20 22.576 -4.257 14.365 1.00 0.00 ATOM 143 CB GLU 20 21.398 -5.033 13.772 1.00 0.00 ATOM 144 CG GLU 20 21.590 -6.543 13.743 1.00 0.00 ATOM 145 CD GLU 20 20.445 -7.226 13.049 1.00 0.00 ATOM 146 OE1 GLU 20 19.327 -7.046 13.469 1.00 0.00 ATOM 147 OE2 GLU 20 20.673 -7.836 12.031 1.00 0.00 ATOM 148 O GLU 20 21.576 -2.134 14.842 1.00 0.00 ATOM 149 C GLU 20 22.400 -2.763 14.202 1.00 0.00 ATOM 150 N LYS 21 23.336 -2.199 13.442 1.00 0.00 ATOM 151 CA LYS 21 23.332 -0.751 13.181 1.00 0.00 ATOM 152 CB LYS 21 24.746 -0.258 12.872 1.00 0.00 ATOM 153 CG LYS 21 25.709 -0.329 14.049 1.00 0.00 ATOM 154 CD LYS 21 27.089 0.182 13.668 1.00 0.00 ATOM 155 CE LYS 21 28.057 0.094 14.839 1.00 0.00 ATOM 156 NZ LYS 21 29.414 0.587 14.478 1.00 0.00 ATOM 157 O LYS 21 22.307 -1.201 11.059 1.00 0.00 ATOM 158 C LYS 21 22.377 -0.440 12.023 1.00 0.00 ATOM 159 N VAL 22 21.701 0.689 12.090 1.00 0.00 ATOM 160 CA VAL 22 20.823 1.123 10.982 1.00 0.00 ATOM 161 CB VAL 22 19.361 0.700 11.221 1.00 0.00 ATOM 162 CG1 VAL 22 18.825 1.333 12.496 1.00 0.00 ATOM 163 CG2 VAL 22 18.494 1.085 10.032 1.00 0.00 ATOM 164 O VAL 22 20.937 3.374 11.805 1.00 0.00 ATOM 165 C VAL 22 20.905 2.645 10.820 1.00 0.00 ATOM 166 N LEU 23 21.028 3.069 9.577 1.00 0.00 ATOM 167 CA LEU 23 20.985 4.496 9.276 1.00 0.00 ATOM 168 CB LEU 23 22.291 4.936 8.604 1.00 0.00 ATOM 169 CG LEU 23 22.345 6.410 8.183 1.00 0.00 ATOM 170 CD1 LEU 23 22.516 7.297 9.409 1.00 0.00 ATOM 171 CD2 LEU 23 23.491 6.619 7.204 1.00 0.00 ATOM 172 O LEU 23 19.509 4.023 7.421 1.00 0.00 ATOM 173 C LEU 23 19.761 4.740 8.387 1.00 0.00 ATOM 174 N LEU 24 18.987 5.739 8.775 1.00 0.00 ATOM 175 CA LEU 24 17.778 6.105 8.035 1.00 0.00 ATOM 176 CB LEU 24 16.627 6.296 8.997 1.00 0.00 ATOM 177 CG LEU 24 16.167 4.934 9.465 1.00 0.00 ATOM 178 CD1 LEU 24 15.654 5.090 10.881 1.00 0.00 ATOM 179 CD2 LEU 24 15.057 4.442 8.563 1.00 0.00 ATOM 180 O LEU 24 18.589 8.339 7.752 1.00 0.00 ATOM 181 C LEU 24 17.992 7.386 7.256 1.00 0.00 ATOM 182 N ILE 25 17.428 7.388 6.063 1.00 0.00 ATOM 183 CA ILE 25 17.515 8.565 5.204 1.00 0.00 ATOM 184 CB ILE 25 18.241 8.248 3.883 1.00 0.00 ATOM 185 CG1 ILE 25 19.719 7.946 4.145 1.00 0.00 ATOM 186 CG2 ILE 25 18.095 9.404 2.905 1.00 0.00 ATOM 187 CD1 ILE 25 20.450 7.392 2.943 1.00 0.00 ATOM 188 O ILE 25 15.184 8.355 4.582 1.00 0.00 ATOM 189 C ILE 25 16.109 9.098 4.911 1.00 0.00 ATOM 190 N ASP 26 16.027 10.417 5.011 1.00 0.00 ATOM 191 CA ASP 26 14.823 11.197 4.718 1.00 0.00 ATOM 192 CB ASP 26 14.583 12.243 5.808 1.00 0.00 ATOM 193 CG ASP 26 13.358 13.119 5.581 1.00 0.00 ATOM 194 OD1 ASP 26 13.193 13.603 4.487 1.00 0.00 ATOM 195 OD2 ASP 26 12.520 13.169 6.449 1.00 0.00 ATOM 196 O ASP 26 15.948 12.590 3.123 1.00 0.00 ATOM 197 C ASP 26 14.979 11.851 3.343 1.00 0.00 ATOM 198 N SER 27 14.085 11.505 2.431 1.00 0.00 ATOM 199 CA SER 27 14.074 12.094 1.076 1.00 0.00 ATOM 200 CB SER 27 13.977 10.999 0.031 1.00 0.00 ATOM 201 OG SER 27 12.802 10.247 0.163 1.00 0.00 ATOM 202 O SER 27 12.784 13.552 -0.343 1.00 0.00 ATOM 203 C SER 27 12.962 13.107 0.792 1.00 0.00 ATOM 204 N ARG 28 12.360 13.616 1.854 1.00 0.00 ATOM 205 CA ARG 28 11.317 14.643 1.800 1.00 0.00 ATOM 206 CB ARG 28 10.329 14.519 2.951 1.00 0.00 ATOM 207 CG ARG 28 9.487 13.254 2.938 1.00 0.00 ATOM 208 CD ARG 28 8.758 12.990 4.204 1.00 0.00 ATOM 209 NE ARG 28 7.709 13.950 4.508 1.00 0.00 ATOM 210 CZ ARG 28 7.040 14.010 5.675 1.00 0.00 ATOM 211 NH1 ARG 28 7.281 13.147 6.638 1.00 0.00 ATOM 212 NH2 ARG 28 6.118 14.945 5.820 1.00 0.00 ATOM 213 O ARG 28 13.106 16.233 2.018 1.00 0.00 ATOM 214 C ARG 28 11.913 16.043 1.733 1.00 0.00 ATOM 215 N PRO 29 11.112 17.065 1.390 1.00 0.00 ATOM 216 CA PRO 29 11.608 18.462 1.412 1.00 0.00 ATOM 217 CB PRO 29 10.393 19.301 1.058 1.00 0.00 ATOM 218 CG PRO 29 9.647 18.359 0.111 1.00 0.00 ATOM 219 CD PRO 29 9.767 16.997 0.793 1.00 0.00 ATOM 220 O PRO 29 11.753 18.225 3.804 1.00 0.00 ATOM 221 C PRO 29 12.191 18.771 2.792 1.00 0.00 ATOM 222 N PHE 30 13.246 19.575 2.792 1.00 0.00 ATOM 223 CA PHE 30 13.980 19.889 4.034 1.00 0.00 ATOM 224 CB PHE 30 15.183 20.784 3.731 1.00 0.00 ATOM 225 CG PHE 30 14.815 22.199 3.390 1.00 0.00 ATOM 226 CD1 PHE 30 14.707 23.162 4.384 1.00 0.00 ATOM 227 CD2 PHE 30 14.575 22.572 2.077 1.00 0.00 ATOM 228 CE1 PHE 30 14.368 24.465 4.071 1.00 0.00 ATOM 229 CE2 PHE 30 14.237 23.874 1.760 1.00 0.00 ATOM 230 CZ PHE 30 14.134 24.821 2.759 1.00 0.00 ATOM 231 O PHE 30 13.244 20.314 6.296 1.00 0.00 ATOM 232 C PHE 30 13.092 20.570 5.093 1.00 0.00 ATOM 233 N VAL 31 12.061 21.284 4.642 1.00 0.00 ATOM 234 CA VAL 31 11.095 21.941 5.541 1.00 0.00 ATOM 235 CB VAL 31 10.140 22.868 4.765 1.00 0.00 ATOM 236 CG1 VAL 31 9.037 23.381 5.679 1.00 0.00 ATOM 237 CG2 VAL 31 10.907 24.029 4.152 1.00 0.00 ATOM 238 O VAL 31 10.174 20.977 7.544 1.00 0.00 ATOM 239 C VAL 31 10.273 20.900 6.315 1.00 0.00 ATOM 240 N GLU 32 9.819 19.899 5.580 1.00 0.00 ATOM 241 CA GLU 32 9.081 18.770 6.175 1.00 0.00 ATOM 242 CB GLU 32 8.517 17.862 5.080 1.00 0.00 ATOM 243 CG GLU 32 7.338 18.453 4.319 1.00 0.00 ATOM 244 CD GLU 32 6.843 17.508 3.260 1.00 0.00 ATOM 245 OE1 GLU 32 6.529 16.389 3.589 1.00 0.00 ATOM 246 OE2 GLU 32 6.671 17.936 2.143 1.00 0.00 ATOM 247 O GLU 32 9.536 17.661 8.227 1.00 0.00 ATOM 248 C GLU 32 9.972 17.966 7.117 1.00 0.00 ATOM 249 N TYR 33 11.204 17.701 6.686 1.00 0.00 ATOM 250 CA TYR 33 12.192 16.999 7.527 1.00 0.00 ATOM 251 CB TYR 33 13.556 16.997 6.854 1.00 0.00 ATOM 252 CG TYR 33 14.679 16.460 7.765 1.00 0.00 ATOM 253 CD1 TYR 33 14.870 15.127 8.017 1.00 0.00 ATOM 254 CD2 TYR 33 15.538 17.342 8.353 1.00 0.00 ATOM 255 CE1 TYR 33 15.901 14.666 8.826 1.00 0.00 ATOM 256 CE2 TYR 33 16.567 16.931 9.182 1.00 0.00 ATOM 257 CZ TYR 33 16.769 15.579 9.414 1.00 0.00 ATOM 258 OH TYR 33 17.809 15.168 10.183 1.00 0.00 ATOM 259 O TYR 33 12.048 17.014 9.916 1.00 0.00 ATOM 260 C TYR 33 12.283 17.663 8.902 1.00 0.00 ATOM 261 N ASN 34 12.391 18.987 8.872 1.00 0.00 ATOM 262 CA ASN 34 12.459 19.810 10.076 1.00 0.00 ATOM 263 CB ASN 34 12.746 21.262 9.741 1.00 0.00 ATOM 264 CG ASN 34 14.161 21.513 9.300 1.00 0.00 ATOM 265 ND2 ASN 34 14.368 22.655 8.693 1.00 0.00 ATOM 266 OD1 ASN 34 15.067 20.718 9.571 1.00 0.00 ATOM 267 O ASN 34 11.253 19.618 12.141 1.00 0.00 ATOM 268 C ASN 34 11.176 19.726 10.930 1.00 0.00 ATOM 269 N THR 35 10.020 19.704 10.273 1.00 0.00 ATOM 270 CA THR 35 8.721 19.538 10.977 1.00 0.00 ATOM 271 CB THR 35 7.532 19.660 10.005 1.00 0.00 ATOM 272 CG2 THR 35 6.219 19.432 10.739 1.00 0.00 ATOM 273 OG1 THR 35 7.525 20.966 9.416 1.00 0.00 ATOM 274 O THR 35 8.246 18.108 12.866 1.00 0.00 ATOM 275 C THR 35 8.630 18.190 11.697 1.00 0.00 ATOM 276 N SER 36 8.957 17.144 10.958 1.00 0.00 ATOM 277 CA SER 36 8.938 15.767 11.478 1.00 0.00 ATOM 278 CB SER 36 7.512 15.254 11.546 1.00 0.00 ATOM 279 OG SER 36 7.451 13.926 11.989 1.00 0.00 ATOM 280 O SER 36 9.744 14.995 9.389 1.00 0.00 ATOM 281 C SER 36 9.802 14.877 10.600 1.00 0.00 ATOM 282 N HIS 37 10.440 13.892 11.232 1.00 0.00 ATOM 283 CA HIS 37 11.217 12.840 10.544 1.00 0.00 ATOM 284 CB HIS 37 12.537 13.405 10.009 1.00 0.00 ATOM 285 CG HIS 37 13.377 14.068 11.057 1.00 0.00 ATOM 286 CD2 HIS 37 14.553 13.701 11.618 1.00 0.00 ATOM 287 ND1 HIS 37 13.024 15.263 11.646 1.00 0.00 ATOM 288 CE1 HIS 37 13.949 15.604 12.529 1.00 0.00 ATOM 289 NE2 HIS 37 14.886 14.674 12.530 1.00 0.00 ATOM 290 O HIS 37 11.142 11.715 12.663 1.00 0.00 ATOM 291 C HIS 37 11.479 11.676 11.495 1.00 0.00 ATOM 292 N ILE 38 12.047 10.599 10.977 1.00 0.00 ATOM 293 CA ILE 38 12.448 9.468 11.838 1.00 0.00 ATOM 294 CB ILE 38 12.788 8.217 11.007 1.00 0.00 ATOM 295 CG1 ILE 38 11.621 7.858 10.083 1.00 0.00 ATOM 296 CG2 ILE 38 13.129 7.049 11.919 1.00 0.00 ATOM 297 CD1 ILE 38 10.348 7.505 10.817 1.00 0.00 ATOM 298 O ILE 38 14.583 10.549 12.192 1.00 0.00 ATOM 299 C ILE 38 13.660 9.904 12.682 1.00 0.00 ATOM 300 N LEU 39 13.635 9.543 13.964 1.00 0.00 ATOM 301 CA LEU 39 14.795 9.737 14.859 1.00 0.00 ATOM 302 CB LEU 39 14.521 9.098 16.227 1.00 0.00 ATOM 303 CG LEU 39 15.615 9.318 17.281 1.00 0.00 ATOM 304 CD1 LEU 39 15.718 10.798 17.624 1.00 0.00 ATOM 305 CD2 LEU 39 15.299 8.496 18.520 1.00 0.00 ATOM 306 O LEU 39 15.992 8.193 13.418 1.00 0.00 ATOM 307 C LEU 39 16.038 9.141 14.201 1.00 0.00 ATOM 308 N GLU 40 17.061 9.985 14.270 1.00 0.00 ATOM 309 CA GLU 40 18.415 9.663 13.760 1.00 0.00 ATOM 310 CB GLU 40 18.943 8.384 14.412 1.00 0.00 ATOM 311 CG GLU 40 19.137 8.479 15.919 1.00 0.00 ATOM 312 CD GLU 40 20.109 9.568 16.276 1.00 0.00 ATOM 313 OE1 GLU 40 21.184 9.584 15.725 1.00 0.00 ATOM 314 OE2 GLU 40 19.738 10.450 17.014 1.00 0.00 ATOM 315 O GLU 40 19.530 9.241 11.660 1.00 0.00 ATOM 316 C GLU 40 18.468 9.502 12.222 1.00 0.00 ATOM 317 N ALA 41 17.425 10.014 11.552 1.00 0.00 ATOM 318 CA ALA 41 17.361 10.080 10.081 1.00 0.00 ATOM 319 CB ALA 41 15.937 10.271 9.551 1.00 0.00 ATOM 320 O ALA 41 18.209 12.329 10.128 1.00 0.00 ATOM 321 C ALA 41 18.207 11.233 9.567 1.00 0.00 ATOM 322 N ILE 42 18.801 11.003 8.422 1.00 0.00 ATOM 323 CA ILE 42 19.643 12.015 7.758 1.00 0.00 ATOM 324 CB ILE 42 21.028 11.449 7.397 1.00 0.00 ATOM 325 CG1 ILE 42 20.934 10.563 6.151 1.00 0.00 ATOM 326 CG2 ILE 42 21.605 10.667 8.567 1.00 0.00 ATOM 327 CD1 ILE 42 22.277 10.170 5.579 1.00 0.00 ATOM 328 O ILE 42 18.312 11.726 5.783 1.00 0.00 ATOM 329 C ILE 42 18.924 12.502 6.510 1.00 0.00 ATOM 330 N ASN 43 18.883 13.820 6.360 1.00 0.00 ATOM 331 CA ASN 43 18.159 14.418 5.221 1.00 0.00 ATOM 332 CB ASN 43 17.435 15.688 5.629 1.00 0.00 ATOM 333 CG ASN 43 16.646 16.320 4.515 1.00 0.00 ATOM 334 ND2 ASN 43 15.581 15.661 4.134 1.00 0.00 ATOM 335 OD1 ASN 43 16.957 17.424 4.056 1.00 0.00 ATOM 336 O ASN 43 19.970 15.568 4.162 1.00 0.00 ATOM 337 C ASN 43 19.117 14.690 4.074 1.00 0.00 ATOM 338 N ILE 44 18.721 14.128 2.936 1.00 0.00 ATOM 339 CA ILE 44 19.418 14.460 1.697 1.00 0.00 ATOM 340 CB ILE 44 19.704 13.202 0.856 1.00 0.00 ATOM 341 CG1 ILE 44 20.481 12.173 1.682 1.00 0.00 ATOM 342 CG2 ILE 44 20.474 13.570 -0.404 1.00 0.00 ATOM 343 CD1 ILE 44 20.615 10.826 1.008 1.00 0.00 ATOM 344 O ILE 44 17.431 15.157 0.511 1.00 0.00 ATOM 345 C ILE 44 18.560 15.447 0.915 1.00 0.00 ATOM 346 N ASN 45 19.175 16.595 0.689 1.00 0.00 ATOM 347 CA ASN 45 18.497 17.617 -0.113 1.00 0.00 ATOM 348 CB ASN 45 19.124 18.985 0.085 1.00 0.00 ATOM 349 CG ASN 45 18.970 19.525 1.480 1.00 0.00 ATOM 350 ND2 ASN 45 20.080 19.886 2.072 1.00 0.00 ATOM 351 OD1 ASN 45 17.852 19.684 1.985 1.00 0.00 ATOM 352 O ASN 45 19.560 16.585 -2.009 1.00 0.00 ATOM 353 C ASN 45 18.560 17.137 -1.569 1.00 0.00 ATOM 354 N CYS 46 17.392 17.135 -2.185 1.00 0.00 ATOM 355 CA CYS 46 17.294 16.681 -3.582 1.00 0.00 ATOM 356 CB CYS 46 16.382 15.490 -3.688 1.00 0.00 ATOM 357 SG CYS 46 16.854 14.012 -2.714 1.00 0.00 ATOM 358 O CYS 46 16.346 17.604 -5.625 1.00 0.00 ATOM 359 C CYS 46 16.894 17.801 -4.544 1.00 0.00 ATOM 360 N SER 47 17.395 18.980 -4.190 1.00 0.00 ATOM 361 CA SER 47 17.301 20.191 -5.020 1.00 0.00 ATOM 362 CB SER 47 17.945 21.364 -4.307 1.00 0.00 ATOM 363 OG SER 47 19.333 21.211 -4.190 1.00 0.00 ATOM 364 O SER 47 18.659 18.971 -6.603 1.00 0.00 ATOM 365 C SER 47 17.956 19.961 -6.385 1.00 0.00 ATOM 366 N LYS 48 17.908 20.973 -7.223 1.00 0.00 ATOM 367 CA LYS 48 18.597 20.924 -8.529 1.00 0.00 ATOM 368 CB LYS 48 18.262 22.165 -9.358 1.00 0.00 ATOM 369 CG LYS 48 16.827 22.215 -9.864 1.00 0.00 ATOM 370 CD LYS 48 16.570 23.475 -10.678 1.00 0.00 ATOM 371 CE LYS 48 15.128 23.539 -11.160 1.00 0.00 ATOM 372 NZ LYS 48 14.855 24.782 -11.931 1.00 0.00 ATOM 373 O LYS 48 20.751 19.958 -8.969 1.00 0.00 ATOM 374 C LYS 48 20.110 20.804 -8.350 1.00 0.00 ATOM 375 N LEU 49 20.640 21.618 -7.433 1.00 0.00 ATOM 376 CA LEU 49 22.080 21.577 -7.095 1.00 0.00 ATOM 377 CB LEU 49 22.405 22.632 -6.030 1.00 0.00 ATOM 378 CG LEU 49 22.323 24.088 -6.509 1.00 0.00 ATOM 379 CD1 LEU 49 22.488 25.036 -5.328 1.00 0.00 ATOM 380 CD2 LEU 49 23.397 24.340 -7.556 1.00 0.00 ATOM 381 O LEU 49 23.316 19.564 -7.252 1.00 0.00 ATOM 382 C LEU 49 22.492 20.193 -6.611 1.00 0.00 ATOM 383 N MET 50 21.595 19.621 -5.812 1.00 0.00 ATOM 384 CA MET 50 21.772 18.341 -5.130 1.00 0.00 ATOM 385 CB MET 50 20.765 18.206 -3.990 1.00 0.00 ATOM 386 CG MET 50 20.955 19.209 -2.861 1.00 0.00 ATOM 387 SD MET 50 22.372 18.817 -1.815 1.00 0.00 ATOM 388 CE MET 50 22.443 20.277 -0.780 1.00 0.00 ATOM 389 O MET 50 22.504 16.275 -6.110 1.00 0.00 ATOM 390 C MET 50 21.636 17.138 -6.072 1.00 0.00 ATOM 391 N LYS 51 20.707 17.241 -7.028 1.00 0.00 ATOM 392 CA LYS 51 20.514 16.246 -8.091 1.00 0.00 ATOM 393 CB LYS 51 19.297 16.604 -8.946 1.00 0.00 ATOM 394 CG LYS 51 18.991 15.605 -10.054 1.00 0.00 ATOM 395 CD LYS 51 17.729 15.989 -10.812 1.00 0.00 ATOM 396 CE LYS 51 17.446 15.017 -11.947 1.00 0.00 ATOM 397 NZ LYS 51 16.232 15.397 -12.717 1.00 0.00 ATOM 398 O LYS 51 22.416 15.108 -9.031 1.00 0.00 ATOM 399 C LYS 51 21.783 16.149 -8.963 1.00 0.00 ATOM 400 N ARG 52 22.248 17.321 -9.410 1.00 0.00 ATOM 401 CA ARG 52 23.500 17.394 -10.183 1.00 0.00 ATOM 402 CB ARG 52 23.767 18.830 -10.603 1.00 0.00 ATOM 403 CG ARG 52 22.770 19.230 -11.662 1.00 0.00 ATOM 404 CD ARG 52 22.944 20.715 -11.913 1.00 0.00 ATOM 405 NE ARG 52 22.133 20.929 -13.109 1.00 0.00 ATOM 406 CZ ARG 52 21.890 22.067 -13.710 1.00 0.00 ATOM 407 NH1 ARG 52 22.442 23.198 -13.336 1.00 0.00 ATOM 408 NH2 ARG 52 20.924 22.079 -14.585 1.00 0.00 ATOM 409 O ARG 52 25.549 16.172 -9.842 1.00 0.00 ATOM 410 C ARG 52 24.721 16.940 -9.363 1.00 0.00 ATOM 411 N ARG 53 24.711 17.360 -8.106 1.00 0.00 ATOM 412 CA ARG 53 25.775 17.091 -7.118 1.00 0.00 ATOM 413 CB ARG 53 25.520 17.796 -5.794 1.00 0.00 ATOM 414 CG ARG 53 25.895 19.270 -5.772 1.00 0.00 ATOM 415 CD ARG 53 25.577 19.963 -4.497 1.00 0.00 ATOM 416 NE ARG 53 25.908 21.379 -4.482 1.00 0.00 ATOM 417 CZ ARG 53 25.626 22.220 -3.469 1.00 0.00 ATOM 418 NH1 ARG 53 24.978 21.804 -2.404 1.00 0.00 ATOM 419 NH2 ARG 53 25.999 23.484 -3.583 1.00 0.00 ATOM 420 O ARG 53 27.163 15.198 -6.625 1.00 0.00 ATOM 421 C ARG 53 26.031 15.611 -6.875 1.00 0.00 ATOM 422 N LEU 54 24.934 14.865 -6.895 1.00 0.00 ATOM 423 CA LEU 54 24.927 13.448 -6.504 1.00 0.00 ATOM 424 CB LEU 54 23.663 13.094 -5.708 1.00 0.00 ATOM 425 CG LEU 54 23.615 13.754 -4.324 1.00 0.00 ATOM 426 CD1 LEU 54 22.239 13.495 -3.729 1.00 0.00 ATOM 427 CD2 LEU 54 24.697 13.225 -3.383 1.00 0.00 ATOM 428 O LEU 54 25.733 11.572 -7.715 1.00 0.00 ATOM 429 C LEU 54 24.972 12.539 -7.716 1.00 0.00 ATOM 430 N GLN 55 24.285 12.928 -8.773 1.00 0.00 ATOM 431 CA GLN 55 24.246 12.177 -10.028 1.00 0.00 ATOM 432 CB GLN 55 23.349 12.882 -11.048 1.00 0.00 ATOM 433 CG GLN 55 23.190 12.134 -12.361 1.00 0.00 ATOM 434 CD GLN 55 22.465 10.814 -12.190 1.00 0.00 ATOM 435 OE1 GLN 55 21.438 10.737 -11.510 1.00 0.00 ATOM 436 NE2 GLN 55 22.997 9.764 -12.806 1.00 0.00 ATOM 437 O GLN 55 25.973 10.892 -11.058 1.00 0.00 ATOM 438 C GLN 55 25.626 11.985 -10.629 1.00 0.00 ATOM 439 N GLN 56 26.321 13.107 -10.704 1.00 0.00 ATOM 440 CA GLN 56 27.673 13.156 -11.266 1.00 0.00 ATOM 441 CB GLN 56 28.058 14.596 -11.616 1.00 0.00 ATOM 442 CG GLN 56 27.238 15.204 -12.741 1.00 0.00 ATOM 443 CD GLN 56 27.620 16.645 -13.023 1.00 0.00 ATOM 444 OE1 GLN 56 28.527 17.195 -12.394 1.00 0.00 ATOM 445 NE2 GLN 56 26.926 17.265 -13.969 1.00 0.00 ATOM 446 O GLN 56 29.906 12.662 -10.590 1.00 0.00 ATOM 447 C GLN 56 28.717 12.576 -10.316 1.00 0.00 ATOM 448 N ASP 57 28.232 12.200 -9.135 1.00 0.00 ATOM 449 CA ASP 57 29.065 11.625 -8.076 1.00 0.00 ATOM 450 CB ASP 57 29.658 10.288 -8.526 1.00 0.00 ATOM 451 CG ASP 57 30.173 9.414 -7.390 1.00 0.00 ATOM 452 OD1 ASP 57 29.491 9.298 -6.399 1.00 0.00 ATOM 453 OD2 ASP 57 31.161 8.746 -7.582 1.00 0.00 ATOM 454 O ASP 57 31.112 12.209 -6.989 1.00 0.00 ATOM 455 C ASP 57 30.183 12.594 -7.678 1.00 0.00 ATOM 456 N LYS 58 29.923 13.885 -7.889 1.00 0.00 ATOM 457 CA LYS 58 30.827 14.948 -7.413 1.00 0.00 ATOM 458 CB LYS 58 30.377 16.311 -7.942 1.00 0.00 ATOM 459 CG LYS 58 31.281 17.470 -7.543 1.00 0.00 ATOM 460 CD LYS 58 30.818 18.775 -8.173 1.00 0.00 ATOM 461 CE LYS 58 31.701 19.940 -7.748 1.00 0.00 ATOM 462 NZ LYS 58 31.244 21.227 -8.337 1.00 0.00 ATOM 463 O LYS 58 31.902 15.070 -5.257 1.00 0.00 ATOM 464 C LYS 58 30.850 14.921 -5.882 1.00 0.00 ATOM 465 N VAL 59 29.661 14.778 -5.308 1.00 0.00 ATOM 466 CA VAL 59 29.515 14.705 -3.848 1.00 0.00 ATOM 467 CB VAL 59 28.655 15.863 -3.332 1.00 0.00 ATOM 468 CG1 VAL 59 28.517 15.851 -1.803 1.00 0.00 ATOM 469 CG2 VAL 59 29.356 17.163 -3.698 1.00 0.00 ATOM 470 O VAL 59 27.828 13.029 -4.044 1.00 0.00 ATOM 471 C VAL 59 28.865 13.377 -3.481 1.00 0.00 ATOM 472 N LEU 60 29.378 12.782 -2.423 1.00 0.00 ATOM 473 CA LEU 60 28.795 11.537 -1.887 1.00 0.00 ATOM 474 CB LEU 60 29.881 10.690 -1.212 1.00 0.00 ATOM 475 CG LEU 60 31.020 10.234 -2.133 1.00 0.00 ATOM 476 CD1 LEU 60 32.073 9.483 -1.329 1.00 0.00 ATOM 477 CD2 LEU 60 30.458 9.354 -3.239 1.00 0.00 ATOM 478 O LEU 60 27.671 12.925 -0.284 1.00 0.00 ATOM 479 C LEU 60 27.668 11.869 -0.906 1.00 0.00 ATOM 480 N ILE 61 26.706 10.959 -0.774 1.00 0.00 ATOM 481 CA ILE 61 25.585 11.141 0.178 1.00 0.00 ATOM 482 CB ILE 61 24.582 9.978 0.092 1.00 0.00 ATOM 483 CG1 ILE 61 23.754 10.102 -1.184 1.00 0.00 ATOM 484 CG2 ILE 61 23.678 9.870 1.328 1.00 0.00 ATOM 485 CD1 ILE 61 22.864 8.891 -1.449 1.00 0.00 ATOM 486 O ILE 61 25.777 12.285 2.291 1.00 0.00 ATOM 487 C ILE 61 26.112 11.310 1.620 1.00 0.00 ATOM 488 N THR 62 26.979 10.390 2.012 1.00 0.00 ATOM 489 CA THR 62 27.593 10.381 3.366 1.00 0.00 ATOM 490 CB THR 62 28.571 9.203 3.535 1.00 0.00 ATOM 491 CG2 THR 62 27.840 7.877 3.382 1.00 0.00 ATOM 492 OG1 THR 62 29.605 9.291 2.547 1.00 0.00 ATOM 493 O THR 62 28.143 12.379 4.613 1.00 0.00 ATOM 494 C THR 62 28.320 11.706 3.600 1.00 0.00 ATOM 495 N GLU 63 29.052 12.132 2.580 1.00 0.00 ATOM 496 CA GLU 63 29.822 13.387 2.615 1.00 0.00 ATOM 497 CB GLU 63 30.874 13.400 1.503 1.00 0.00 ATOM 498 CG GLU 63 31.993 12.385 1.685 1.00 0.00 ATOM 499 CD GLU 63 32.739 12.616 2.969 1.00 0.00 ATOM 500 OE1 GLU 63 33.210 13.710 3.172 1.00 0.00 ATOM 501 OE2 GLU 63 32.742 11.736 3.798 1.00 0.00 ATOM 502 O GLU 63 29.516 15.769 2.714 1.00 0.00 ATOM 503 C GLU 63 28.991 14.680 2.490 1.00 0.00 ATOM 504 N LEU 64 27.818 14.548 1.894 1.00 0.00 ATOM 505 CA LEU 64 26.975 15.668 1.430 1.00 0.00 ATOM 506 CB LEU 64 25.795 15.134 0.618 1.00 0.00 ATOM 507 CG LEU 64 24.803 16.219 0.184 1.00 0.00 ATOM 508 CD1 LEU 64 25.464 17.274 -0.711 1.00 0.00 ATOM 509 CD2 LEU 64 23.626 15.576 -0.518 1.00 0.00 ATOM 510 O LEU 64 26.243 17.744 2.400 1.00 0.00 ATOM 511 C LEU 64 26.431 16.530 2.551 1.00 0.00 ATOM 512 N ILE 65 26.037 15.846 3.604 1.00 0.00 ATOM 513 CA ILE 65 25.211 16.488 4.604 1.00 0.00 ATOM 514 CB ILE 65 24.639 15.437 5.559 1.00 0.00 ATOM 515 CG1 ILE 65 23.971 14.210 4.895 1.00 0.00 ATOM 516 CG2 ILE 65 23.580 16.200 6.307 1.00 0.00 ATOM 517 CD1 ILE 65 22.759 14.404 3.977 1.00 0.00 ATOM 518 O ILE 65 27.038 17.676 5.665 1.00 0.00 ATOM 519 C ILE 65 25.869 17.705 5.278 1.00 0.00 ATOM 520 N GLN 66 25.025 18.711 5.545 1.00 0.00 ATOM 521 CA GLN 66 25.315 19.819 6.468 1.00 0.00 ATOM 522 CB GLN 66 24.062 20.668 6.697 1.00 0.00 ATOM 523 CG GLN 66 22.941 19.941 7.422 1.00 0.00 ATOM 524 CD GLN 66 21.678 20.775 7.518 1.00 0.00 ATOM 525 OE1 GLN 66 21.643 21.929 7.081 1.00 0.00 ATOM 526 NE2 GLN 66 20.631 20.196 8.095 1.00 0.00 ATOM 527 O GLN 66 25.571 18.079 8.104 1.00 0.00 ATOM 528 C GLN 66 25.836 19.246 7.796 1.00 0.00 ATOM 529 N HIS 67 26.284 20.117 8.671 1.00 0.00 ATOM 530 CA HIS 67 26.820 19.705 9.988 1.00 0.00 ATOM 531 CB HIS 67 27.296 20.924 10.785 1.00 0.00 ATOM 532 CG HIS 67 27.821 20.586 12.146 1.00 0.00 ATOM 533 CD2 HIS 67 27.289 20.768 13.377 1.00 0.00 ATOM 534 ND1 HIS 67 29.044 19.979 12.340 1.00 0.00 ATOM 535 CE1 HIS 67 29.243 19.803 13.636 1.00 0.00 ATOM 536 NE2 HIS 67 28.193 20.274 14.285 1.00 0.00 ATOM 537 O HIS 67 26.143 17.823 11.309 1.00 0.00 ATOM 538 C HIS 67 25.830 18.920 10.859 1.00 0.00 ATOM 539 N SER 68 24.584 19.382 10.958 1.00 0.00 ATOM 540 CA SER 68 23.609 18.738 11.858 1.00 0.00 ATOM 541 CB SER 68 22.347 19.574 11.944 1.00 0.00 ATOM 542 OG SER 68 22.575 20.808 12.568 1.00 0.00 ATOM 543 O SER 68 23.122 16.394 12.203 1.00 0.00 ATOM 544 C SER 68 23.266 17.322 11.407 1.00 0.00 ATOM 545 N ALA 69 22.976 17.233 10.126 1.00 0.00 ATOM 546 CA ALA 69 22.621 15.916 9.594 1.00 0.00 ATOM 547 CB ALA 69 21.461 16.051 8.597 1.00 0.00 ATOM 548 O ALA 69 23.718 13.810 9.577 1.00 0.00 ATOM 549 C ALA 69 23.842 15.003 9.338 1.00 0.00 ATOM 550 N LYS 70 25.044 15.590 9.200 1.00 0.00 ATOM 551 CA LYS 70 26.329 14.860 9.104 1.00 0.00 ATOM 552 CB LYS 70 27.453 15.806 8.681 1.00 0.00 ATOM 553 CG LYS 70 28.801 15.129 8.471 1.00 0.00 ATOM 554 CD LYS 70 29.841 16.113 7.957 1.00 0.00 ATOM 555 CE LYS 70 31.187 15.437 7.746 1.00 0.00 ATOM 556 NZ LYS 70 32.217 16.390 7.252 1.00 0.00 ATOM 557 O LYS 70 27.131 13.024 10.363 1.00 0.00 ATOM 558 C LYS 70 26.704 14.172 10.421 1.00 0.00 ATOM 559 N HIS 71 26.231 14.696 11.554 1.00 0.00 ATOM 560 CA HIS 71 26.455 14.024 12.851 1.00 0.00 ATOM 561 CB HIS 71 25.897 14.867 14.002 1.00 0.00 ATOM 562 CG HIS 71 26.040 14.221 15.345 1.00 0.00 ATOM 563 CD2 HIS 71 25.128 13.631 16.153 1.00 0.00 ATOM 564 ND1 HIS 71 27.249 14.133 16.003 1.00 0.00 ATOM 565 CE1 HIS 71 27.073 13.518 17.160 1.00 0.00 ATOM 566 NE2 HIS 71 25.796 13.203 17.274 1.00 0.00 ATOM 567 O HIS 71 26.470 11.635 13.120 1.00 0.00 ATOM 568 C HIS 71 25.819 12.633 12.859 1.00 0.00 ATOM 569 N LYS 72 24.542 12.589 12.462 1.00 0.00 ATOM 570 CA LYS 72 23.823 11.304 12.328 1.00 0.00 ATOM 571 CB LYS 72 22.342 11.547 12.034 1.00 0.00 ATOM 572 CG LYS 72 21.600 12.307 13.125 1.00 0.00 ATOM 573 CD LYS 72 20.222 12.747 12.654 1.00 0.00 ATOM 574 CE LYS 72 19.451 13.441 13.767 1.00 0.00 ATOM 575 NZ LYS 72 20.044 14.762 14.114 1.00 0.00 ATOM 576 O LYS 72 24.585 9.220 11.429 1.00 0.00 ATOM 577 C LYS 72 24.437 10.424 11.228 1.00 0.00 ATOM 578 N VAL 73 24.824 11.038 10.105 1.00 0.00 ATOM 579 CA VAL 73 25.473 10.339 8.975 1.00 0.00 ATOM 580 CB VAL 73 25.810 11.270 7.789 1.00 0.00 ATOM 581 CG1 VAL 73 26.340 10.517 6.578 1.00 0.00 ATOM 582 CG2 VAL 73 24.589 11.988 7.266 1.00 0.00 ATOM 583 O VAL 73 27.186 8.711 8.817 1.00 0.00 ATOM 584 C VAL 73 26.791 9.704 9.407 1.00 0.00 ATOM 585 N ASP 74 27.517 10.315 10.326 1.00 0.00 ATOM 586 CA ASP 74 28.918 9.941 10.617 1.00 0.00 ATOM 587 CB ASP 74 29.535 10.810 11.704 1.00 0.00 ATOM 588 CG ASP 74 29.902 12.239 11.265 1.00 0.00 ATOM 589 OD1 ASP 74 29.930 12.520 10.052 1.00 0.00 ATOM 590 OD2 ASP 74 30.263 13.018 12.180 1.00 0.00 ATOM 591 O ASP 74 29.840 7.738 10.420 1.00 0.00 ATOM 592 C ASP 74 29.043 8.468 11.010 1.00 0.00 ATOM 593 N ILE 75 28.103 8.014 11.828 1.00 0.00 ATOM 594 CA ILE 75 27.977 6.562 12.089 1.00 0.00 ATOM 595 CB ILE 75 27.336 6.287 13.462 1.00 0.00 ATOM 596 CG1 ILE 75 28.209 6.859 14.582 1.00 0.00 ATOM 597 CG2 ILE 75 27.121 4.794 13.659 1.00 0.00 ATOM 598 CD1 ILE 75 27.547 6.840 15.941 1.00 0.00 ATOM 599 O ILE 75 26.144 5.206 11.209 1.00 0.00 ATOM 600 C ILE 75 27.134 5.905 10.969 1.00 0.00 ATOM 601 N ASP 76 27.573 6.160 9.740 1.00 0.00 ATOM 602 CA ASP 76 27.019 5.522 8.522 1.00 0.00 ATOM 603 CB ASP 76 27.343 6.359 7.283 1.00 0.00 ATOM 604 CG ASP 76 28.815 6.723 7.136 1.00 0.00 ATOM 605 OD1 ASP 76 29.641 5.863 7.333 1.00 0.00 ATOM 606 OD2 ASP 76 29.097 7.804 6.679 1.00 0.00 ATOM 607 O ASP 76 28.116 3.583 9.433 1.00 0.00 ATOM 608 C ASP 76 27.614 4.119 8.446 1.00 0.00 ATOM 609 N CYS 77 27.441 3.474 7.300 1.00 0.00 ATOM 610 CA CYS 77 27.956 2.118 7.044 1.00 0.00 ATOM 611 CB CYS 77 29.495 2.156 7.032 1.00 0.00 ATOM 612 SG CYS 77 30.071 3.456 5.875 1.00 0.00 ATOM 613 O CYS 77 27.991 0.129 8.470 1.00 0.00 ATOM 614 C CYS 77 27.411 1.148 8.109 1.00 0.00 ATOM 615 N SER 78 26.226 1.505 8.609 1.00 0.00 ATOM 616 CA SER 78 25.477 0.678 9.551 1.00 0.00 ATOM 617 CB SER 78 24.258 1.484 9.978 1.00 0.00 ATOM 618 OG SER 78 23.265 1.414 8.973 1.00 0.00 ATOM 619 O SER 78 25.333 -0.762 7.632 1.00 0.00 ATOM 620 C SER 78 25.102 -0.630 8.820 1.00 0.00 ATOM 621 N GLN 79 24.589 -1.611 9.555 1.00 0.00 ATOM 622 CA GLN 79 24.112 -2.862 8.942 1.00 0.00 ATOM 623 CB GLN 79 23.353 -3.706 9.969 1.00 0.00 ATOM 624 CG GLN 79 22.865 -5.042 9.437 1.00 0.00 ATOM 625 CD GLN 79 24.004 -5.997 9.136 1.00 0.00 ATOM 626 OE1 GLN 79 24.966 -6.101 9.903 1.00 0.00 ATOM 627 NE2 GLN 79 23.907 -6.700 8.013 1.00 0.00 ATOM 628 O GLN 79 23.180 -3.389 6.791 1.00 0.00 ATOM 629 C GLN 79 23.200 -2.600 7.725 1.00 0.00 ATOM 630 N LYS 80 22.230 -1.719 7.912 1.00 0.00 ATOM 631 CA LYS 80 21.286 -1.408 6.824 1.00 0.00 ATOM 632 CB LYS 80 20.030 -2.273 6.941 1.00 0.00 ATOM 633 CG LYS 80 20.263 -3.759 6.699 1.00 0.00 ATOM 634 CD LYS 80 18.959 -4.539 6.748 1.00 0.00 ATOM 635 CE LYS 80 19.189 -6.019 6.477 1.00 0.00 ATOM 636 NZ LYS 80 17.923 -6.799 6.541 1.00 0.00 ATOM 637 O LYS 80 20.793 0.696 7.885 1.00 0.00 ATOM 638 C LYS 80 20.919 0.061 6.840 1.00 0.00 ATOM 639 N VAL 81 20.769 0.577 5.635 1.00 0.00 ATOM 640 CA VAL 81 20.276 1.941 5.422 1.00 0.00 ATOM 641 CB VAL 81 21.184 2.725 4.457 1.00 0.00 ATOM 642 CG1 VAL 81 20.625 4.118 4.211 1.00 0.00 ATOM 643 CG2 VAL 81 22.600 2.810 5.007 1.00 0.00 ATOM 644 O VAL 81 18.600 1.095 3.909 1.00 0.00 ATOM 645 C VAL 81 18.852 1.811 4.875 1.00 0.00 ATOM 646 N VAL 82 17.975 2.549 5.514 1.00 0.00 ATOM 647 CA VAL 82 16.547 2.530 5.156 1.00 0.00 ATOM 648 CB VAL 82 15.676 2.042 6.325 1.00 0.00 ATOM 649 CG1 VAL 82 14.187 2.042 5.977 1.00 0.00 ATOM 650 CG2 VAL 82 16.118 0.649 6.779 1.00 0.00 ATOM 651 O VAL 82 16.339 4.927 5.366 1.00 0.00 ATOM 652 C VAL 82 16.135 3.924 4.693 1.00 0.00 ATOM 653 N VAL 83 15.432 3.883 3.589 1.00 0.00 ATOM 654 CA VAL 83 14.897 5.091 2.936 1.00 0.00 ATOM 655 CB VAL 83 15.312 5.165 1.455 1.00 0.00 ATOM 656 CG1 VAL 83 16.785 5.528 1.333 1.00 0.00 ATOM 657 CG2 VAL 83 15.032 3.843 0.756 1.00 0.00 ATOM 658 O VAL 83 12.748 4.024 3.113 1.00 0.00 ATOM 659 C VAL 83 13.365 5.094 3.058 1.00 0.00 ATOM 660 N TYR 84 12.786 6.277 3.235 1.00 0.00 ATOM 661 CA TYR 84 11.312 6.381 3.336 1.00 0.00 ATOM 662 CB TYR 84 10.778 6.876 4.689 1.00 0.00 ATOM 663 CG TYR 84 11.517 8.074 5.264 1.00 0.00 ATOM 664 CD1 TYR 84 11.176 9.402 5.031 1.00 0.00 ATOM 665 CD2 TYR 84 12.372 7.760 6.291 1.00 0.00 ATOM 666 CE1 TYR 84 11.660 10.395 5.876 1.00 0.00 ATOM 667 CE2 TYR 84 12.867 8.743 7.116 1.00 0.00 ATOM 668 CZ TYR 84 12.486 10.060 6.934 1.00 0.00 ATOM 669 OH TYR 84 12.715 10.836 8.019 1.00 0.00 ATOM 670 O TYR 84 11.336 8.089 1.642 1.00 0.00 ATOM 671 C TYR 84 10.690 7.233 2.246 1.00 0.00 ATOM 672 N ASP 85 9.375 7.071 2.210 1.00 0.00 ATOM 673 CA ASP 85 8.494 7.846 1.338 1.00 0.00 ATOM 674 CB ASP 85 8.093 7.023 0.112 1.00 0.00 ATOM 675 CG ASP 85 7.750 7.854 -1.118 1.00 0.00 ATOM 676 OD1 ASP 85 6.751 8.533 -1.092 1.00 0.00 ATOM 677 OD2 ASP 85 8.564 7.926 -2.007 1.00 0.00 ATOM 678 O ASP 85 7.111 7.908 3.300 1.00 0.00 ATOM 679 C ASP 85 7.265 8.284 2.148 1.00 0.00 ATOM 680 N GLN 86 6.469 9.195 1.596 1.00 0.00 ATOM 681 CA GLN 86 5.164 9.548 2.186 1.00 0.00 ATOM 682 CB GLN 86 4.410 10.522 1.276 1.00 0.00 ATOM 683 CG GLN 86 3.063 10.967 1.819 1.00 0.00 ATOM 684 CD GLN 86 2.364 11.950 0.900 1.00 0.00 ATOM 685 OE1 GLN 86 2.867 12.278 -0.179 1.00 0.00 ATOM 686 NE2 GLN 86 1.201 12.431 1.324 1.00 0.00 ATOM 687 O GLN 86 4.139 7.876 3.574 1.00 0.00 ATOM 688 C GLN 86 4.322 8.283 2.421 1.00 0.00 ATOM 689 N SER 87 4.152 7.528 1.336 1.00 0.00 ATOM 690 CA SER 87 3.382 6.263 1.342 1.00 0.00 ATOM 691 CB SER 87 1.906 6.552 1.534 1.00 0.00 ATOM 692 OG SER 87 1.372 7.295 0.474 1.00 0.00 ATOM 693 O SER 87 2.722 4.638 -0.349 1.00 0.00 ATOM 694 C SER 87 3.575 5.429 0.060 1.00 0.00 ATOM 695 N SER 88 4.787 5.483 -0.444 1.00 0.00 ATOM 696 CA SER 88 5.188 4.706 -1.625 1.00 0.00 ATOM 697 CB SER 88 6.169 5.480 -2.476 1.00 0.00 ATOM 698 OG SER 88 5.493 6.676 -2.869 1.00 0.00 ATOM 699 O SER 88 6.788 3.033 -0.733 1.00 0.00 ATOM 700 C SER 88 5.732 3.305 -1.321 1.00 0.00 ATOM 701 N GLN 89 4.862 2.394 -1.669 1.00 0.00 ATOM 702 CA GLN 89 5.208 0.964 -1.726 1.00 0.00 ATOM 703 CB GLN 89 3.946 0.103 -1.624 1.00 0.00 ATOM 704 CG GLN 89 3.254 0.169 -0.273 1.00 0.00 ATOM 705 CD GLN 89 1.952 -0.610 -0.250 1.00 0.00 ATOM 706 OE1 GLN 89 1.605 -1.293 -1.217 1.00 0.00 ATOM 707 NE2 GLN 89 1.223 -0.508 0.855 1.00 0.00 ATOM 708 O GLN 89 6.031 -0.396 -3.510 1.00 0.00 ATOM 709 C GLN 89 5.953 0.716 -3.040 1.00 0.00 ATOM 710 N ASP 90 6.603 1.753 -3.554 1.00 0.00 ATOM 711 CA ASP 90 7.262 1.724 -4.860 1.00 0.00 ATOM 712 CB ASP 90 7.916 3.075 -5.162 1.00 0.00 ATOM 713 CG ASP 90 6.950 4.145 -5.652 1.00 0.00 ATOM 714 OD1 ASP 90 5.828 3.812 -5.957 1.00 0.00 ATOM 715 OD2 ASP 90 7.286 5.303 -5.569 1.00 0.00 ATOM 716 O ASP 90 8.064 -0.428 -5.589 1.00 0.00 ATOM 717 C ASP 90 8.328 0.636 -5.026 1.00 0.00 ATOM 718 N VAL 91 9.547 0.918 -4.571 1.00 0.00 ATOM 719 CA VAL 91 10.736 0.063 -4.817 1.00 0.00 ATOM 720 CB VAL 91 10.569 -1.388 -4.297 1.00 0.00 ATOM 721 CG1 VAL 91 11.819 -2.251 -4.523 1.00 0.00 ATOM 722 CG2 VAL 91 10.263 -1.436 -2.798 1.00 0.00 ATOM 723 O VAL 91 11.495 1.091 -6.881 1.00 0.00 ATOM 724 C VAL 91 11.003 0.110 -6.346 1.00 0.00 ATOM 725 N ALA 92 10.620 -0.959 -7.050 1.00 0.00 ATOM 726 CA ALA 92 10.772 -1.076 -8.508 1.00 0.00 ATOM 727 CB ALA 92 10.429 -2.491 -8.969 1.00 0.00 ATOM 728 O ALA 92 10.543 0.453 -10.302 1.00 0.00 ATOM 729 C ALA 92 9.994 -0.057 -9.331 1.00 0.00 ATOM 730 N SER 93 8.771 0.248 -8.880 1.00 0.00 ATOM 731 CA SER 93 7.883 1.215 -9.573 1.00 0.00 ATOM 732 CB SER 93 6.484 1.147 -8.993 1.00 0.00 ATOM 733 OG SER 93 5.883 -0.099 -9.211 1.00 0.00 ATOM 734 O SER 93 7.966 3.483 -10.331 1.00 0.00 ATOM 735 C SER 93 8.377 2.662 -9.512 1.00 0.00 ATOM 736 N LEU 94 9.263 2.958 -8.559 1.00 0.00 ATOM 737 CA LEU 94 9.820 4.308 -8.377 1.00 0.00 ATOM 738 CB LEU 94 10.704 4.296 -7.131 1.00 0.00 ATOM 739 CG LEU 94 11.087 5.693 -6.640 1.00 0.00 ATOM 740 CD1 LEU 94 9.919 6.431 -5.993 1.00 0.00 ATOM 741 CD2 LEU 94 12.178 5.516 -5.613 1.00 0.00 ATOM 742 O LEU 94 11.576 4.090 -10.025 1.00 0.00 ATOM 743 C LEU 94 10.613 4.743 -9.616 1.00 0.00 ATOM 744 N SER 95 10.064 5.751 -10.277 1.00 0.00 ATOM 745 CA SER 95 10.654 6.290 -11.518 1.00 0.00 ATOM 746 CB SER 95 9.657 7.189 -12.222 1.00 0.00 ATOM 747 OG SER 95 9.402 8.361 -11.498 1.00 0.00 ATOM 748 O SER 95 12.188 7.511 -10.109 1.00 0.00 ATOM 749 C SER 95 11.949 7.054 -11.236 1.00 0.00 ATOM 750 N SER 96 12.748 7.271 -12.274 1.00 0.00 ATOM 751 CA SER 96 14.067 7.934 -12.122 1.00 0.00 ATOM 752 CB SER 96 14.792 7.965 -13.453 1.00 0.00 ATOM 753 OG SER 96 14.134 8.770 -14.392 1.00 0.00 ATOM 754 O SER 96 14.983 9.754 -10.881 1.00 0.00 ATOM 755 C SER 96 14.049 9.359 -11.573 1.00 0.00 ATOM 756 N ASP 97 12.957 10.072 -11.845 1.00 0.00 ATOM 757 CA ASP 97 12.790 11.471 -11.407 1.00 0.00 ATOM 758 CB ASP 97 11.537 12.085 -12.037 1.00 0.00 ATOM 759 CG ASP 97 11.667 12.397 -13.522 1.00 0.00 ATOM 760 OD1 ASP 97 12.767 12.368 -14.020 1.00 0.00 ATOM 761 OD2 ASP 97 10.658 12.507 -14.175 1.00 0.00 ATOM 762 O ASP 97 13.101 12.649 -9.324 1.00 0.00 ATOM 763 C ASP 97 12.707 11.631 -9.889 1.00 0.00 ATOM 764 N CYS 98 12.165 10.608 -9.253 1.00 0.00 ATOM 765 CA CYS 98 11.957 10.634 -7.795 1.00 0.00 ATOM 766 CB CYS 98 11.163 9.411 -7.389 1.00 0.00 ATOM 767 SG CYS 98 9.515 9.452 -8.189 1.00 0.00 ATOM 768 O CYS 98 14.301 10.161 -7.378 1.00 0.00 ATOM 769 C CYS 98 13.279 10.762 -7.038 1.00 0.00 ATOM 770 N PHE 99 13.178 11.578 -5.995 1.00 0.00 ATOM 771 CA PHE 99 14.263 11.880 -5.031 1.00 0.00 ATOM 772 CB PHE 99 13.729 12.723 -3.872 1.00 0.00 ATOM 773 CG PHE 99 13.392 14.136 -4.254 1.00 0.00 ATOM 774 CD1 PHE 99 13.829 14.666 -5.459 1.00 0.00 ATOM 775 CD2 PHE 99 12.637 14.937 -3.411 1.00 0.00 ATOM 776 CE1 PHE 99 13.519 15.966 -5.811 1.00 0.00 ATOM 777 CE2 PHE 99 12.326 16.236 -3.761 1.00 0.00 ATOM 778 CZ PHE 99 12.767 16.751 -4.963 1.00 0.00 ATOM 779 O PHE 99 16.099 10.382 -4.479 1.00 0.00 ATOM 780 C PHE 99 14.882 10.583 -4.518 1.00 0.00 ATOM 781 N LEU 100 13.968 9.686 -4.176 1.00 0.00 ATOM 782 CA LEU 100 14.307 8.391 -3.603 1.00 0.00 ATOM 783 CB LEU 100 13.003 7.774 -3.096 1.00 0.00 ATOM 784 CG LEU 100 13.154 6.372 -2.534 1.00 0.00 ATOM 785 CD1 LEU 100 14.020 6.320 -1.299 1.00 0.00 ATOM 786 CD2 LEU 100 11.767 5.881 -2.158 1.00 0.00 ATOM 787 O LEU 100 16.163 7.054 -4.222 1.00 0.00 ATOM 788 C LEU 100 15.090 7.518 -4.592 1.00 0.00 ATOM 789 N THR 101 14.745 7.566 -5.875 1.00 0.00 ATOM 790 CA THR 101 15.504 6.861 -6.935 1.00 0.00 ATOM 791 CB THR 101 14.817 6.997 -8.307 1.00 0.00 ATOM 792 CG2 THR 101 15.557 6.182 -9.356 1.00 0.00 ATOM 793 OG1 THR 101 13.464 6.534 -8.214 1.00 0.00 ATOM 794 O THR 101 17.884 6.615 -7.109 1.00 0.00 ATOM 795 C THR 101 16.928 7.396 -7.031 1.00 0.00 ATOM 796 N VAL 102 17.036 8.720 -7.051 1.00 0.00 ATOM 797 CA VAL 102 18.346 9.381 -7.129 1.00 0.00 ATOM 798 CB VAL 102 18.204 10.914 -7.160 1.00 0.00 ATOM 799 CG1 VAL 102 19.567 11.578 -7.038 1.00 0.00 ATOM 800 CG2 VAL 102 17.509 11.360 -8.438 1.00 0.00 ATOM 801 O VAL 102 20.358 8.543 -6.111 1.00 0.00 ATOM 802 C VAL 102 19.213 8.968 -5.940 1.00 0.00 ATOM 803 N LEU 103 18.614 9.039 -4.754 1.00 0.00 ATOM 804 CA LEU 103 19.330 8.651 -3.527 1.00 0.00 ATOM 805 CB LEU 103 18.519 9.057 -2.290 1.00 0.00 ATOM 806 CG LEU 103 18.734 10.499 -1.813 1.00 0.00 ATOM 807 CD1 LEU 103 19.336 11.336 -2.933 1.00 0.00 ATOM 808 CD2 LEU 103 17.407 11.086 -1.355 1.00 0.00 ATOM 809 O LEU 103 20.787 6.840 -3.155 1.00 0.00 ATOM 810 C LEU 103 19.647 7.171 -3.444 1.00 0.00 ATOM 811 N LEU 104 18.746 6.338 -3.942 1.00 0.00 ATOM 812 CA LEU 104 18.933 4.873 -3.999 1.00 0.00 ATOM 813 CB LEU 104 17.652 4.194 -4.499 1.00 0.00 ATOM 814 CG LEU 104 16.624 3.859 -3.410 1.00 0.00 ATOM 815 CD1 LEU 104 16.893 4.690 -2.163 1.00 0.00 ATOM 816 CD2 LEU 104 15.221 4.118 -3.938 1.00 0.00 ATOM 817 O LEU 104 21.086 3.928 -4.400 1.00 0.00 ATOM 818 C LEU 104 20.111 4.483 -4.890 1.00 0.00 ATOM 819 N GLY 105 20.080 5.032 -6.104 1.00 0.00 ATOM 820 CA GLY 105 21.153 4.798 -7.086 1.00 0.00 ATOM 821 O GLY 105 23.524 4.727 -6.683 1.00 0.00 ATOM 822 C GLY 105 22.483 5.365 -6.573 1.00 0.00 ATOM 823 N LYS 106 22.422 6.549 -5.973 1.00 0.00 ATOM 824 CA LYS 106 23.620 7.152 -5.351 1.00 0.00 ATOM 825 CB LYS 106 23.303 8.552 -4.824 1.00 0.00 ATOM 826 CG LYS 106 24.527 9.412 -4.544 1.00 0.00 ATOM 827 CD LYS 106 25.232 9.808 -5.832 1.00 0.00 ATOM 828 CE LYS 106 26.281 8.778 -6.230 1.00 0.00 ATOM 829 NZ LYS 106 27.045 9.200 -7.435 1.00 0.00 ATOM 830 O LYS 106 25.387 6.128 -4.103 1.00 0.00 ATOM 831 C LYS 106 24.172 6.278 -4.211 1.00 0.00 ATOM 832 N LEU 107 23.286 5.696 -3.421 1.00 0.00 ATOM 833 CA LEU 107 23.639 4.786 -2.312 1.00 0.00 ATOM 834 CB LEU 107 22.398 4.472 -1.468 1.00 0.00 ATOM 835 CG LEU 107 21.957 5.591 -0.515 1.00 0.00 ATOM 836 CD1 LEU 107 20.537 5.333 -0.029 1.00 0.00 ATOM 837 CD2 LEU 107 22.923 5.669 0.659 1.00 0.00 ATOM 838 O LEU 107 25.325 3.069 -2.309 1.00 0.00 ATOM 839 C LEU 107 24.274 3.472 -2.788 1.00 0.00 ATOM 840 N GLU 108 23.726 2.955 -3.887 1.00 0.00 ATOM 841 CA GLU 108 24.307 1.787 -4.565 1.00 0.00 ATOM 842 CB GLU 108 23.396 1.320 -5.703 1.00 0.00 ATOM 843 CG GLU 108 22.095 0.679 -5.244 1.00 0.00 ATOM 844 CD GLU 108 21.202 0.361 -6.411 1.00 0.00 ATOM 845 OE1 GLU 108 21.556 0.697 -7.515 1.00 0.00 ATOM 846 OE2 GLU 108 20.219 -0.315 -6.214 1.00 0.00 ATOM 847 O GLU 108 26.672 1.390 -4.848 1.00 0.00 ATOM 848 C GLU 108 25.710 2.118 -5.099 1.00 0.00 ATOM 849 N LYS 109 25.825 3.317 -5.658 1.00 0.00 ATOM 850 CA LYS 109 27.111 3.865 -6.125 1.00 0.00 ATOM 851 CB LYS 109 26.901 5.218 -6.805 1.00 0.00 ATOM 852 CG LYS 109 28.172 5.844 -7.365 1.00 0.00 ATOM 853 CD LYS 109 28.712 5.043 -8.540 1.00 0.00 ATOM 854 CE LYS 109 29.901 5.739 -9.186 1.00 0.00 ATOM 855 NZ LYS 109 30.438 4.968 -10.340 1.00 0.00 ATOM 856 O LYS 109 29.227 3.531 -5.041 1.00 0.00 ATOM 857 C LYS 109 28.091 3.995 -4.951 1.00 0.00 ATOM 858 N SER 110 27.588 4.499 -3.828 1.00 0.00 ATOM 859 CA SER 110 28.359 4.604 -2.574 1.00 0.00 ATOM 860 CB SER 110 27.703 5.602 -1.641 1.00 0.00 ATOM 861 OG SER 110 28.398 5.726 -0.430 1.00 0.00 ATOM 862 O SER 110 28.762 3.251 -0.651 1.00 0.00 ATOM 863 C SER 110 28.518 3.264 -1.853 1.00 0.00 ATOM 864 N PHE 111 28.357 2.152 -2.565 1.00 0.00 ATOM 865 CA PHE 111 28.578 0.783 -2.052 1.00 0.00 ATOM 866 CB PHE 111 30.055 0.568 -1.721 1.00 0.00 ATOM 867 CG PHE 111 30.974 0.766 -2.894 1.00 0.00 ATOM 868 CD1 PHE 111 31.682 1.949 -3.046 1.00 0.00 ATOM 869 CD2 PHE 111 31.131 -0.229 -3.847 1.00 0.00 ATOM 870 CE1 PHE 111 32.528 2.132 -4.124 1.00 0.00 ATOM 871 CE2 PHE 111 31.976 -0.049 -4.925 1.00 0.00 ATOM 872 CZ PHE 111 32.675 1.134 -5.063 1.00 0.00 ATOM 873 O PHE 111 28.154 -0.415 0.015 1.00 0.00 ATOM 874 C PHE 111 27.752 0.407 -0.804 1.00 0.00 ATOM 875 N ASN 112 26.516 0.888 -0.785 1.00 0.00 ATOM 876 CA ASN 112 25.551 0.535 0.263 1.00 0.00 ATOM 877 CB ASN 112 25.213 1.732 1.132 1.00 0.00 ATOM 878 CG ASN 112 26.395 2.296 1.871 1.00 0.00 ATOM 879 ND2 ASN 112 26.743 3.512 1.537 1.00 0.00 ATOM 880 OD1 ASN 112 26.939 1.665 2.786 1.00 0.00 ATOM 881 O ASN 112 23.770 0.506 -1.347 1.00 0.00 ATOM 882 C ASN 112 24.303 -0.050 -0.380 1.00 0.00 ATOM 883 N SER 113 23.844 -1.140 0.216 1.00 0.00 ATOM 884 CA SER 113 22.606 -1.783 -0.236 1.00 0.00 ATOM 885 CB SER 113 22.776 -3.290 -0.251 1.00 0.00 ATOM 886 OG SER 113 21.602 -3.949 -0.636 1.00 0.00 ATOM 887 O SER 113 21.363 -1.756 1.847 1.00 0.00 ATOM 888 C SER 113 21.457 -1.362 0.675 1.00 0.00 ATOM 889 N VAL 114 20.719 -0.409 0.153 1.00 0.00 ATOM 890 CA VAL 114 19.635 0.213 0.932 1.00 0.00 ATOM 891 CB VAL 114 19.413 1.680 0.520 1.00 0.00 ATOM 892 CG1 VAL 114 18.611 1.755 -0.770 1.00 0.00 ATOM 893 CG2 VAL 114 18.708 2.444 1.630 1.00 0.00 ATOM 894 O VAL 114 17.996 -1.249 -0.136 1.00 0.00 ATOM 895 C VAL 114 18.298 -0.521 0.800 1.00 0.00 ATOM 896 N HIS 115 17.538 -0.397 1.865 1.00 0.00 ATOM 897 CA HIS 115 16.174 -0.940 1.931 1.00 0.00 ATOM 898 CB HIS 115 16.004 -1.822 3.172 1.00 0.00 ATOM 899 CG HIS 115 16.866 -3.046 3.163 1.00 0.00 ATOM 900 CD2 HIS 115 18.177 -3.216 3.461 1.00 0.00 ATOM 901 ND1 HIS 115 16.388 -4.291 2.814 1.00 0.00 ATOM 902 CE1 HIS 115 17.367 -5.175 2.897 1.00 0.00 ATOM 903 NE2 HIS 115 18.462 -4.548 3.287 1.00 0.00 ATOM 904 O HIS 115 15.461 1.274 2.510 1.00 0.00 ATOM 905 C HIS 115 15.187 0.220 1.937 1.00 0.00 ATOM 906 N LEU 116 14.017 -0.012 1.352 1.00 0.00 ATOM 907 CA LEU 116 12.945 0.984 1.368 1.00 0.00 ATOM 908 CB LEU 116 12.365 1.163 -0.041 1.00 0.00 ATOM 909 CG LEU 116 11.056 1.958 -0.113 1.00 0.00 ATOM 910 CD1 LEU 116 11.264 3.358 0.450 1.00 0.00 ATOM 911 CD2 LEU 116 10.578 2.022 -1.556 1.00 0.00 ATOM 912 O LEU 116 11.509 -0.613 2.443 1.00 0.00 ATOM 913 C LEU 116 11.862 0.568 2.355 1.00 0.00 ATOM 914 N LEU 117 11.477 1.523 3.195 1.00 0.00 ATOM 915 CA LEU 117 10.418 1.307 4.191 1.00 0.00 ATOM 916 CB LEU 117 10.431 2.434 5.232 1.00 0.00 ATOM 917 CG LEU 117 9.418 2.281 6.373 1.00 0.00 ATOM 918 CD1 LEU 117 9.745 1.045 7.201 1.00 0.00 ATOM 919 CD2 LEU 117 9.435 3.531 7.240 1.00 0.00 ATOM 920 O LEU 117 8.545 2.198 2.964 1.00 0.00 ATOM 921 C LEU 117 9.064 1.219 3.504 1.00 0.00 ATOM 922 N ALA 118 8.511 0.020 3.511 1.00 0.00 ATOM 923 CA ALA 118 7.211 -0.206 2.865 1.00 0.00 ATOM 924 CB ALA 118 6.918 -1.696 2.955 1.00 0.00 ATOM 925 O ALA 118 6.020 0.762 4.731 1.00 0.00 ATOM 926 C ALA 118 6.101 0.634 3.502 1.00 0.00 ATOM 927 N GLY 119 5.383 1.335 2.633 1.00 0.00 ATOM 928 CA GLY 119 4.349 2.296 3.039 1.00 0.00 ATOM 929 O GLY 119 4.045 4.475 4.000 1.00 0.00 ATOM 930 C GLY 119 4.845 3.587 3.692 1.00 0.00 ATOM 931 N GLY 120 6.172 3.691 3.828 1.00 0.00 ATOM 932 CA GLY 120 6.891 4.917 4.183 1.00 0.00 ATOM 933 O GLY 120 5.985 4.716 6.389 1.00 0.00 ATOM 934 C GLY 120 6.477 5.445 5.536 1.00 0.00 ATOM 935 N PHE 121 6.605 6.761 5.627 1.00 0.00 ATOM 936 CA PHE 121 6.395 7.485 6.880 1.00 0.00 ATOM 937 CB PHE 121 6.803 8.951 6.724 1.00 0.00 ATOM 938 CG PHE 121 6.861 9.704 8.023 1.00 0.00 ATOM 939 CD1 PHE 121 7.941 9.554 8.881 1.00 0.00 ATOM 940 CD2 PHE 121 5.838 10.563 8.390 1.00 0.00 ATOM 941 CE1 PHE 121 7.997 10.246 10.076 1.00 0.00 ATOM 942 CE2 PHE 121 5.890 11.258 9.583 1.00 0.00 ATOM 943 CZ PHE 121 6.971 11.099 10.426 1.00 0.00 ATOM 944 O PHE 121 4.782 7.267 8.612 1.00 0.00 ATOM 945 C PHE 121 4.963 7.443 7.412 1.00 0.00 ATOM 946 N ALA 122 3.994 7.545 6.506 1.00 0.00 ATOM 947 CA ALA 122 2.572 7.513 6.898 1.00 0.00 ATOM 948 CB ALA 122 1.683 7.665 5.662 1.00 0.00 ATOM 949 O ALA 122 1.751 6.262 8.773 1.00 0.00 ATOM 950 C ALA 122 2.219 6.207 7.636 1.00 0.00 ATOM 951 N GLU 123 2.658 5.086 7.058 1.00 0.00 ATOM 952 CA GLU 123 2.476 3.775 7.697 1.00 0.00 ATOM 953 CB GLU 123 2.842 2.650 6.726 1.00 0.00 ATOM 954 CG GLU 123 1.858 2.467 5.578 1.00 0.00 ATOM 955 CD GLU 123 0.474 2.176 6.086 1.00 0.00 ATOM 956 OE1 GLU 123 0.328 1.277 6.879 1.00 0.00 ATOM 957 OE2 GLU 123 -0.423 2.924 5.770 1.00 0.00 ATOM 958 O GLU 123 2.754 3.152 10.004 1.00 0.00 ATOM 959 C GLU 123 3.276 3.580 8.973 1.00 0.00 ATOM 960 N PHE 124 4.511 4.080 8.936 1.00 0.00 ATOM 961 CA PHE 124 5.387 4.017 10.112 1.00 0.00 ATOM 962 CB PHE 124 6.795 4.498 9.755 1.00 0.00 ATOM 963 CG PHE 124 7.816 4.230 10.824 1.00 0.00 ATOM 964 CD1 PHE 124 8.542 3.047 10.829 1.00 0.00 ATOM 965 CD2 PHE 124 8.052 5.158 11.827 1.00 0.00 ATOM 966 CE1 PHE 124 9.481 2.800 11.812 1.00 0.00 ATOM 967 CE2 PHE 124 8.991 4.913 12.810 1.00 0.00 ATOM 968 CZ PHE 124 9.706 3.733 12.802 1.00 0.00 ATOM 969 O PHE 124 4.934 4.352 12.437 1.00 0.00 ATOM 970 C PHE 124 4.875 4.831 11.302 1.00 0.00 ATOM 971 N SER 125 4.318 6.012 11.030 1.00 0.00 ATOM 972 CA SER 125 3.755 6.883 12.080 1.00 0.00 ATOM 973 CB SER 125 3.345 8.217 11.487 1.00 0.00 ATOM 974 OG SER 125 2.788 9.071 12.448 1.00 0.00 ATOM 975 O SER 125 2.442 6.306 13.987 1.00 0.00 ATOM 976 C SER 125 2.561 6.230 12.778 1.00 0.00 ATOM 977 N ARG 126 1.706 5.576 11.999 1.00 0.00 ATOM 978 CA ARG 126 0.544 4.864 12.588 1.00 0.00 ATOM 979 CB ARG 126 -0.321 4.257 11.498 1.00 0.00 ATOM 980 CG ARG 126 -1.032 5.349 10.735 1.00 0.00 ATOM 981 CD ARG 126 -1.784 4.646 9.616 1.00 0.00 ATOM 982 NE ARG 126 -2.452 5.658 8.804 1.00 0.00 ATOM 983 CZ ARG 126 -3.167 5.347 7.733 1.00 0.00 ATOM 984 NH1 ARG 126 -3.724 6.304 7.042 1.00 0.00 ATOM 985 NH2 ARG 126 -3.405 4.095 7.351 1.00 0.00 ATOM 986 O ARG 126 0.414 3.575 14.607 1.00 0.00 ATOM 987 C ARG 126 0.966 3.734 13.519 1.00 0.00 ATOM 988 N CYS 127 1.923 2.950 13.051 1.00 0.00 ATOM 989 CA CYS 127 2.436 1.812 13.833 1.00 0.00 ATOM 990 CB CYS 127 3.162 0.837 12.915 1.00 0.00 ATOM 991 SG CYS 127 1.934 -0.001 11.864 1.00 0.00 ATOM 992 O CYS 127 2.949 1.958 16.185 1.00 0.00 ATOM 993 C CYS 127 3.286 2.239 15.034 1.00 0.00 ATOM 994 N PHE 128 4.271 3.089 14.763 1.00 0.00 ATOM 995 CA PHE 128 5.211 3.547 15.795 1.00 0.00 ATOM 996 CB PHE 128 6.546 2.818 15.608 1.00 0.00 ATOM 997 CG PHE 128 6.385 1.301 15.479 1.00 0.00 ATOM 998 CD1 PHE 128 6.311 0.708 14.223 1.00 0.00 ATOM 999 CD2 PHE 128 6.315 0.487 16.585 1.00 0.00 ATOM 1000 CE1 PHE 128 6.195 -0.678 14.094 1.00 0.00 ATOM 1001 CE2 PHE 128 6.179 -0.869 16.445 1.00 0.00 ATOM 1002 CZ PHE 128 6.145 -1.480 15.220 1.00 0.00 ATOM 1003 O PHE 128 6.499 5.568 15.596 1.00 0.00 ATOM 1004 C PHE 128 5.383 5.073 15.774 1.00 0.00 ATOM 1005 N PRO 129 4.337 5.824 16.162 1.00 0.00 ATOM 1006 CA PRO 129 4.439 7.289 16.271 1.00 0.00 ATOM 1007 CB PRO 129 3.041 7.807 16.599 1.00 0.00 ATOM 1008 CG PRO 129 2.404 6.622 17.314 1.00 0.00 ATOM 1009 CD PRO 129 3.047 5.367 16.718 1.00 0.00 ATOM 1010 O PRO 129 6.318 8.495 17.032 1.00 0.00 ATOM 1011 C PRO 129 5.472 7.670 17.333 1.00 0.00 ATOM 1012 N GLY 130 5.604 6.802 18.351 1.00 0.00 ATOM 1013 CA GLY 130 6.585 6.912 19.456 1.00 0.00 ATOM 1014 O GLY 130 8.948 7.498 19.515 1.00 0.00 ATOM 1015 C GLY 130 8.050 6.855 18.995 1.00 0.00 ATOM 1016 N LEU 131 8.287 6.213 17.871 1.00 0.00 ATOM 1017 CA LEU 131 9.654 6.112 17.339 1.00 0.00 ATOM 1018 CB LEU 131 9.921 4.716 16.802 1.00 0.00 ATOM 1019 CG LEU 131 9.790 3.629 17.850 1.00 0.00 ATOM 1020 CD1 LEU 131 10.056 2.321 17.132 1.00 0.00 ATOM 1021 CD2 LEU 131 10.820 3.761 18.965 1.00 0.00 ATOM 1022 O LEU 131 10.630 6.917 15.288 1.00 0.00 ATOM 1023 C LEU 131 9.936 7.173 16.273 1.00 0.00 ATOM 1024 N CYS 132 9.377 8.357 16.440 1.00 0.00 ATOM 1025 CA CYS 132 9.549 9.425 15.452 1.00 0.00 ATOM 1026 CB CYS 132 8.214 9.667 14.743 1.00 0.00 ATOM 1027 SG CYS 132 7.607 8.111 13.982 1.00 0.00 ATOM 1028 O CYS 132 9.820 10.980 17.262 1.00 0.00 ATOM 1029 C CYS 132 10.075 10.708 16.085 1.00 0.00 ATOM 1030 N GLU 133 10.878 11.387 15.294 1.00 0.00 ATOM 1031 CA GLU 133 11.435 12.689 15.647 1.00 0.00 ATOM 1032 CB GLU 133 12.838 12.849 15.056 1.00 0.00 ATOM 1033 CG GLU 133 13.526 14.156 15.420 1.00 0.00 ATOM 1034 CD GLU 133 13.861 14.208 16.885 1.00 0.00 ATOM 1035 OE1 GLU 133 13.784 13.190 17.528 1.00 0.00 ATOM 1036 OE2 GLU 133 14.302 15.239 17.337 1.00 0.00 ATOM 1037 O GLU 133 10.077 13.813 13.990 1.00 0.00 ATOM 1038 C GLU 133 10.501 13.806 15.153 1.00 0.00 ATOM 1039 N GLY 134 9.944 14.496 16.134 1.00 0.00 ATOM 1040 CA GLY 134 9.215 15.762 15.870 1.00 0.00 ATOM 1041 O GLY 134 11.382 16.783 16.124 1.00 0.00 ATOM 1042 C GLY 134 10.167 16.925 16.176 1.00 0.00 ATOM 1043 N LYS 135 9.578 18.108 16.304 1.00 0.00 ATOM 1044 CA LYS 135 10.349 19.277 16.779 1.00 0.00 ATOM 1045 CB LYS 135 9.497 20.545 16.707 1.00 0.00 ATOM 1046 CG LYS 135 9.170 21.004 15.292 1.00 0.00 ATOM 1047 CD LYS 135 8.336 22.277 15.301 1.00 0.00 ATOM 1048 CE LYS 135 7.997 22.729 13.889 1.00 0.00 ATOM 1049 NZ LYS 135 7.159 23.958 13.883 1.00 0.00 ATOM 1050 O LYS 135 10.810 17.977 18.752 1.00 0.00 ATOM 1051 C LYS 135 10.877 19.095 18.223 1.00 0.00 TER END