PFRMAT TS TARGET T0471 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0471 model 2 Wed Jun 25 13:39:22 2008 MODEL 2 PARENT N/A ATOM 2 N THR 17 -11.277 6.865 -0.366 1.00 0.00 ATOM 3 CA THR 17 -10.736 5.783 -1.186 1.00 0.00 ATOM 4 CB THR 17 -9.241 5.996 -1.486 1.00 0.00 ATOM 5 CG2 THR 17 -9.038 7.260 -2.307 1.00 0.00 ATOM 6 OG1 THR 17 -8.516 6.120 -0.256 1.00 0.00 ATOM 7 O THR 17 -10.916 4.295 0.703 1.00 0.00 ATOM 8 C THR 17 -10.852 4.406 -0.524 1.00 0.00 ATOM 9 N ARG 18 -10.879 3.368 -1.357 1.00 0.00 ATOM 10 CA ARG 18 -10.729 1.981 -0.904 1.00 0.00 ATOM 11 CB ARG 18 -11.544 1.037 -1.790 1.00 0.00 ATOM 12 CG ARG 18 -13.037 1.323 -1.793 1.00 0.00 ATOM 13 CD ARG 18 -13.767 0.432 -2.786 1.00 0.00 ATOM 14 NE ARG 18 -13.510 0.829 -4.168 1.00 0.00 ATOM 15 CZ ARG 18 -13.855 0.105 -5.229 1.00 0.00 ATOM 16 NH1 ARG 18 -13.580 0.546 -6.449 1.00 0.00 ATOM 17 NH2 ARG 18 -14.473 -1.056 -5.067 1.00 0.00 ATOM 18 O ARG 18 -8.667 1.600 -2.064 1.00 0.00 ATOM 19 C ARG 18 -9.243 1.592 -0.979 1.00 0.00 ATOM 20 N VAL 19 -8.647 1.257 0.163 1.00 0.00 ATOM 21 CA VAL 19 -7.193 1.012 0.277 1.00 0.00 ATOM 22 CB VAL 19 -6.518 2.043 1.200 1.00 0.00 ATOM 23 CG1 VAL 19 -5.033 1.743 1.337 1.00 0.00 ATOM 24 CG2 VAL 19 -6.676 3.447 0.638 1.00 0.00 ATOM 25 O VAL 19 -7.352 -0.753 1.929 1.00 0.00 ATOM 26 C VAL 19 -6.849 -0.389 0.858 1.00 0.00 ATOM 27 N VAL 20 -5.986 -1.155 0.167 1.00 0.00 ATOM 28 CA VAL 20 -5.412 -2.426 0.688 1.00 0.00 ATOM 29 CB VAL 20 -5.285 -3.485 -0.423 1.00 0.00 ATOM 30 CG1 VAL 20 -4.644 -4.752 0.122 1.00 0.00 ATOM 31 CG2 VAL 20 -6.654 -3.839 -0.981 1.00 0.00 ATOM 32 O VAL 20 -3.173 -1.560 0.625 1.00 0.00 ATOM 33 C VAL 20 -4.005 -2.196 1.280 1.00 0.00 ATOM 34 N GLU 21 -3.726 -2.721 2.488 1.00 0.00 ATOM 35 CA GLU 21 -2.364 -2.718 3.080 1.00 0.00 ATOM 36 CB GLU 21 -2.361 -1.962 4.411 1.00 0.00 ATOM 37 CG GLU 21 -0.989 -1.845 5.055 1.00 0.00 ATOM 38 CD GLU 21 -1.022 -1.070 6.358 1.00 0.00 ATOM 39 OE1 GLU 21 -2.128 -0.685 6.792 1.00 0.00 ATOM 40 OE2 GLU 21 0.060 -0.848 6.943 1.00 0.00 ATOM 41 O GLU 21 -2.412 -4.855 4.238 1.00 0.00 ATOM 42 C GLU 21 -1.889 -4.168 3.337 1.00 0.00 ATOM 43 N VAL 22 -0.975 -4.682 2.510 1.00 0.00 ATOM 44 CA VAL 22 -0.383 -6.010 2.798 1.00 0.00 ATOM 45 CB VAL 22 0.270 -6.620 1.545 1.00 0.00 ATOM 46 CG1 VAL 22 0.975 -7.923 1.892 1.00 0.00 ATOM 47 CG2 VAL 22 -0.780 -6.910 0.484 1.00 0.00 ATOM 48 O VAL 22 1.389 -4.848 3.905 1.00 0.00 ATOM 49 C VAL 22 0.681 -5.849 3.877 1.00 0.00 ATOM 50 N GLY 23 0.794 -6.825 4.787 1.00 0.00 ATOM 51 CA GLY 23 1.666 -6.666 5.956 1.00 0.00 ATOM 52 O GLY 23 1.871 -5.162 7.803 1.00 0.00 ATOM 53 C GLY 23 1.125 -5.649 6.955 1.00 0.00 ATOM 54 N ALA 24 -0.175 -5.349 6.880 1.00 0.00 ATOM 55 CA ALA 24 -0.785 -4.302 7.710 1.00 0.00 ATOM 56 CB ALA 24 -2.207 -4.020 7.249 1.00 0.00 ATOM 57 O ALA 24 -1.204 -3.649 9.960 1.00 0.00 ATOM 58 C ALA 24 -0.905 -4.579 9.205 1.00 0.00 ATOM 59 N GLY 25 -0.680 -5.835 9.640 1.00 0.00 ATOM 60 CA GLY 25 -0.647 -6.191 11.073 1.00 0.00 ATOM 61 O GLY 25 0.954 -6.606 12.833 1.00 0.00 ATOM 62 C GLY 25 0.770 -6.191 11.687 1.00 0.00 ATOM 63 N ARG 26 1.760 -5.740 10.930 1.00 0.00 ATOM 64 CA ARG 26 3.123 -5.621 11.415 1.00 0.00 ATOM 65 CB ARG 26 4.116 -5.746 10.257 1.00 0.00 ATOM 66 CG ARG 26 4.077 -7.090 9.549 1.00 0.00 ATOM 67 CD ARG 26 4.931 -7.076 8.291 1.00 0.00 ATOM 68 NE ARG 26 4.874 -8.350 7.577 1.00 0.00 ATOM 69 CZ ARG 26 5.602 -9.416 7.889 1.00 0.00 ATOM 70 NH1 ARG 26 5.484 -10.531 7.182 1.00 0.00 ATOM 71 NH2 ARG 26 6.450 -9.364 8.908 1.00 0.00 ATOM 72 O ARG 26 2.422 -3.497 12.339 1.00 0.00 ATOM 73 C ARG 26 3.360 -4.279 12.090 1.00 0.00 ATOM 74 N PHE 27 4.630 -4.011 12.367 1.00 0.00 ATOM 75 CA PHE 27 5.060 -2.766 13.038 1.00 0.00 ATOM 76 CB PHE 27 6.579 -2.745 13.208 1.00 0.00 ATOM 77 CG PHE 27 7.096 -1.512 13.895 1.00 0.00 ATOM 78 CD1 PHE 27 6.936 -1.345 15.259 1.00 0.00 ATOM 79 CD2 PHE 27 7.743 -0.522 13.177 1.00 0.00 ATOM 80 CE1 PHE 27 7.411 -0.212 15.892 1.00 0.00 ATOM 81 CE2 PHE 27 8.218 0.612 13.810 1.00 0.00 ATOM 82 CZ PHE 27 8.055 0.768 15.161 1.00 0.00 ATOM 83 O PHE 27 3.810 -0.696 12.697 1.00 0.00 ATOM 84 C PHE 27 4.669 -1.474 12.248 1.00 0.00 ATOM 85 N LEU 28 5.244 -1.266 11.068 1.00 0.00 ATOM 86 CA LEU 28 4.933 -0.053 10.286 1.00 0.00 ATOM 87 CB LEU 28 5.844 0.044 9.060 1.00 0.00 ATOM 88 CG LEU 28 7.348 0.105 9.336 1.00 0.00 ATOM 89 CD1 LEU 28 8.133 0.094 8.035 1.00 0.00 ATOM 90 CD2 LEU 28 7.703 1.373 10.096 1.00 0.00 ATOM 91 O LEU 28 2.773 0.975 9.847 1.00 0.00 ATOM 92 C LEU 28 3.474 -0.051 9.790 1.00 0.00 ATOM 93 N TYR 29 0.673 1.274 12.141 1.00 0.00 ATOM 94 CA TYR 29 0.665 2.754 12.252 1.00 0.00 ATOM 95 CB TYR 29 2.087 3.284 12.449 1.00 0.00 ATOM 96 CG TYR 29 2.642 3.049 13.836 1.00 0.00 ATOM 97 CD1 TYR 29 3.592 2.061 14.063 1.00 0.00 ATOM 98 CD2 TYR 29 2.213 3.815 14.913 1.00 0.00 ATOM 99 CE1 TYR 29 4.105 1.841 15.328 1.00 0.00 ATOM 100 CE2 TYR 29 2.715 3.608 16.184 1.00 0.00 ATOM 101 CZ TYR 29 3.668 2.611 16.385 1.00 0.00 ATOM 102 OH TYR 29 4.176 2.391 17.645 1.00 0.00 ATOM 103 O TYR 29 -0.616 4.476 11.056 1.00 0.00 ATOM 104 C TYR 29 0.083 3.443 10.982 1.00 0.00 ATOM 105 N VAL 30 0.368 2.875 9.812 1.00 0.00 ATOM 106 CA VAL 30 -0.221 3.366 8.555 1.00 0.00 ATOM 107 CB VAL 30 0.367 2.635 7.333 1.00 0.00 ATOM 108 CG1 VAL 30 -0.385 3.019 6.069 1.00 0.00 ATOM 109 CG2 VAL 30 1.833 2.998 7.150 1.00 0.00 ATOM 110 O VAL 30 -2.516 4.048 8.133 1.00 0.00 ATOM 111 C VAL 30 -1.753 3.148 8.539 1.00 0.00 ATOM 112 N SER 31 -2.197 1.977 8.997 1.00 0.00 ATOM 113 CA SER 31 -3.622 1.669 9.163 1.00 0.00 ATOM 114 CB SER 31 -3.801 0.319 9.859 1.00 0.00 ATOM 115 OG SER 31 -3.347 -0.742 9.036 1.00 0.00 ATOM 116 O SER 31 -5.379 3.282 9.628 1.00 0.00 ATOM 117 C SER 31 -4.313 2.751 10.017 1.00 0.00 ATOM 118 N ASP 32 -3.718 3.082 11.167 1.00 0.00 ATOM 119 CA ASP 32 -4.279 4.123 12.049 1.00 0.00 ATOM 120 CB ASP 32 -3.337 4.393 13.224 1.00 0.00 ATOM 121 CG ASP 32 -3.337 3.270 14.241 1.00 0.00 ATOM 122 OD1 ASP 32 -4.224 2.395 14.160 1.00 0.00 ATOM 123 OD2 ASP 32 -2.450 3.264 15.120 1.00 0.00 ATOM 124 O ASP 32 -5.558 6.077 11.402 1.00 0.00 ATOM 125 C ASP 32 -4.496 5.466 11.309 1.00 0.00 ATOM 126 N TYR 33 -3.490 5.937 10.579 1.00 0.00 ATOM 127 CA TYR 33 -3.597 7.231 9.868 1.00 0.00 ATOM 128 CB TYR 33 -2.300 7.537 9.115 1.00 0.00 ATOM 129 CG TYR 33 -1.160 7.968 10.009 1.00 0.00 ATOM 130 CD1 TYR 33 -0.141 7.083 10.339 1.00 0.00 ATOM 131 CD2 TYR 33 -1.105 9.258 10.521 1.00 0.00 ATOM 132 CE1 TYR 33 0.906 7.468 11.155 1.00 0.00 ATOM 133 CE2 TYR 33 -0.066 9.659 11.340 1.00 0.00 ATOM 134 CZ TYR 33 0.943 8.751 11.653 1.00 0.00 ATOM 135 OH TYR 33 1.984 9.137 12.468 1.00 0.00 ATOM 136 O TYR 33 -5.538 8.196 8.786 1.00 0.00 ATOM 137 C TYR 33 -4.738 7.245 8.840 1.00 0.00 ATOM 138 N ILE 34 -4.812 6.196 8.023 1.00 0.00 ATOM 139 CA ILE 34 -5.796 6.150 6.941 1.00 0.00 ATOM 140 CB ILE 34 -5.503 4.999 5.959 1.00 0.00 ATOM 141 CG1 ILE 34 -4.211 5.274 5.186 1.00 0.00 ATOM 142 CG2 ILE 34 -6.639 4.848 4.960 1.00 0.00 ATOM 143 CD1 ILE 34 -3.709 4.086 4.395 1.00 0.00 ATOM 144 O ILE 34 -8.182 6.501 6.845 1.00 0.00 ATOM 145 C ILE 34 -7.234 5.942 7.430 1.00 0.00 ATOM 146 N ARG 35 -7.394 5.189 8.515 1.00 0.00 ATOM 147 CA ARG 35 -8.714 5.040 9.153 1.00 0.00 ATOM 148 CB ARG 35 -8.654 4.001 10.274 1.00 0.00 ATOM 149 CG ARG 35 -8.499 2.569 9.786 1.00 0.00 ATOM 150 CD ARG 35 -8.368 1.600 10.949 1.00 0.00 ATOM 151 NE ARG 35 -8.213 0.220 10.497 1.00 0.00 ATOM 152 CZ ARG 35 -8.001 -0.812 11.307 1.00 0.00 ATOM 153 NH1 ARG 35 -7.873 -2.033 10.805 1.00 0.00 ATOM 154 NH2 ARG 35 -7.918 -0.623 12.617 1.00 0.00 ATOM 155 O ARG 35 -10.351 6.736 9.631 1.00 0.00 ATOM 156 C ARG 35 -9.191 6.373 9.762 1.00 0.00 ATOM 157 N LYS 36 -8.283 7.105 10.398 1.00 0.00 ATOM 158 CA LYS 36 -8.618 8.423 10.981 1.00 0.00 ATOM 159 CB LYS 36 -7.399 9.022 11.685 1.00 0.00 ATOM 160 CG LYS 36 -7.007 8.304 12.967 1.00 0.00 ATOM 161 CD LYS 36 -5.788 8.946 13.609 1.00 0.00 ATOM 162 CE LYS 36 -5.394 8.225 14.888 1.00 0.00 ATOM 163 NZ LYS 36 -4.180 8.823 15.511 1.00 0.00 ATOM 164 O LYS 36 -9.928 10.294 10.166 1.00 0.00 ATOM 165 C LYS 36 -9.076 9.422 9.903 1.00 0.00 ATOM 166 N HIS 37 -8.495 9.310 8.704 1.00 0.00 ATOM 167 CA HIS 37 -8.811 10.198 7.571 1.00 0.00 ATOM 168 CB HIS 37 -7.681 10.170 6.539 1.00 0.00 ATOM 169 CG HIS 37 -6.406 10.790 7.022 1.00 0.00 ATOM 170 CD2 HIS 37 -5.986 11.500 8.222 1.00 0.00 ATOM 171 ND1 HIS 37 -5.246 10.779 6.280 1.00 0.00 ATOM 172 CE1 HIS 37 -4.278 11.406 6.971 1.00 0.00 ATOM 173 NE2 HIS 37 -4.715 11.842 8.138 1.00 0.00 ATOM 174 O HIS 37 -10.487 10.523 5.879 1.00 0.00 ATOM 175 C HIS 37 -10.098 9.823 6.821 1.00 0.00 ATOM 176 N LYS 39 -10.738 8.715 7.200 1.00 0.00 ATOM 177 CA LYS 39 -12.072 8.373 6.694 1.00 0.00 ATOM 178 CB LYS 39 -12.803 9.627 6.213 1.00 0.00 ATOM 179 CG LYS 39 -13.130 10.618 7.320 1.00 0.00 ATOM 180 CD LYS 39 -13.887 11.819 6.779 1.00 0.00 ATOM 181 CE LYS 39 -14.185 12.824 7.880 1.00 0.00 ATOM 182 NZ LYS 39 -14.954 13.994 7.371 1.00 0.00 ATOM 183 O LYS 39 -13.191 7.245 4.908 1.00 0.00 ATOM 184 C LYS 39 -12.130 7.405 5.522 1.00 0.00 ATOM 185 N VAL 40 -11.009 6.754 5.202 1.00 0.00 ATOM 186 CA VAL 40 -10.961 5.807 4.081 1.00 0.00 ATOM 187 CB VAL 40 -9.525 5.628 3.555 1.00 0.00 ATOM 188 CG1 VAL 40 -8.963 6.957 3.075 1.00 0.00 ATOM 189 CG2 VAL 40 -8.618 5.092 4.652 1.00 0.00 ATOM 190 O VAL 40 -11.617 4.113 5.668 1.00 0.00 ATOM 191 C VAL 40 -11.473 4.415 4.482 1.00 0.00 ATOM 192 N ASP 41 -11.766 3.583 3.486 1.00 0.00 ATOM 193 CA ASP 41 -12.122 2.175 3.718 1.00 0.00 ATOM 194 CB ASP 41 -13.168 1.712 2.701 1.00 0.00 ATOM 195 CG ASP 41 -13.602 0.277 2.926 1.00 0.00 ATOM 196 OD1 ASP 41 -13.008 -0.395 3.795 1.00 0.00 ATOM 197 OD2 ASP 41 -14.536 -0.176 2.231 1.00 0.00 ATOM 198 O ASP 41 -10.395 1.090 2.459 1.00 0.00 ATOM 199 C ASP 41 -10.876 1.289 3.579 1.00 0.00 ATOM 200 N LEU 42 -10.375 0.749 4.697 1.00 0.00 ATOM 201 CA LEU 42 -9.074 0.023 4.750 1.00 0.00 ATOM 202 CB LEU 42 -8.220 0.536 5.912 1.00 0.00 ATOM 203 CG LEU 42 -6.876 -0.161 6.125 1.00 0.00 ATOM 204 CD1 LEU 42 -5.940 0.106 4.956 1.00 0.00 ATOM 205 CD2 LEU 42 -6.206 0.339 7.396 1.00 0.00 ATOM 206 O LEU 42 -9.895 -1.967 5.889 1.00 0.00 ATOM 207 C LEU 42 -9.235 -1.510 4.949 1.00 0.00 ATOM 208 N VAL 43 -8.628 -2.280 4.037 1.00 0.00 ATOM 209 CA VAL 43 -8.501 -3.743 4.149 1.00 0.00 ATOM 210 CB VAL 43 -8.917 -4.447 2.843 1.00 0.00 ATOM 211 CG1 VAL 43 -8.741 -5.952 2.971 1.00 0.00 ATOM 212 CG2 VAL 43 -10.376 -4.159 2.525 1.00 0.00 ATOM 213 O VAL 43 -6.125 -3.712 3.709 1.00 0.00 ATOM 214 C VAL 43 -7.025 -4.119 4.455 1.00 0.00 ATOM 215 N LEU 44 -6.783 -4.859 5.544 1.00 0.00 ATOM 216 CA LEU 44 -5.453 -5.395 5.904 1.00 0.00 ATOM 217 CB LEU 44 -5.202 -5.242 7.404 1.00 0.00 ATOM 218 CG LEU 44 -5.200 -3.811 7.950 1.00 0.00 ATOM 219 CD1 LEU 44 -5.015 -3.811 9.459 1.00 0.00 ATOM 220 CD2 LEU 44 -4.070 -3.002 7.331 1.00 0.00 ATOM 221 O LEU 44 -6.235 -7.680 5.889 1.00 0.00 ATOM 222 C LEU 44 -5.351 -6.890 5.549 1.00 0.00 ATOM 223 N THR 45 -4.273 -7.250 4.843 1.00 0.00 ATOM 224 CA THR 45 -3.918 -8.645 4.544 1.00 0.00 ATOM 225 CB THR 45 -3.721 -8.865 3.032 1.00 0.00 ATOM 226 CG2 THR 45 -3.337 -10.309 2.750 1.00 0.00 ATOM 227 OG1 THR 45 -4.939 -8.565 2.340 1.00 0.00 ATOM 228 O THR 45 -1.614 -8.296 5.110 1.00 0.00 ATOM 229 C THR 45 -2.602 -9.014 5.262 1.00 0.00 ATOM 230 N ASP 46 -2.596 -10.109 6.032 1.00 0.00 ATOM 231 CA ASP 46 -1.401 -10.563 6.785 1.00 0.00 ATOM 232 CB ASP 46 -1.286 -9.811 8.112 1.00 0.00 ATOM 233 CG ASP 46 0.112 -9.868 8.695 1.00 0.00 ATOM 234 OD1 ASP 46 1.006 -10.444 8.040 1.00 0.00 ATOM 235 OD2 ASP 46 0.314 -9.338 9.807 1.00 0.00 ATOM 236 O ASP 46 -2.596 -12.584 7.283 1.00 0.00 ATOM 237 C ASP 46 -1.492 -12.077 7.087 1.00 0.00 ATOM 238 N ILE 47 -0.355 -12.791 7.136 1.00 0.00 ATOM 239 CA ILE 47 -0.298 -14.226 7.538 1.00 0.00 ATOM 240 CB ILE 47 0.619 -15.038 6.605 1.00 0.00 ATOM 241 CG1 ILE 47 2.049 -14.495 6.657 1.00 0.00 ATOM 242 CG2 ILE 47 0.126 -14.957 5.170 1.00 0.00 ATOM 243 CD1 ILE 47 3.059 -15.365 5.945 1.00 0.00 ATOM 244 O ILE 47 0.339 -15.610 9.416 1.00 0.00 ATOM 245 C ILE 47 0.234 -14.460 8.962 1.00 0.00 ATOM 246 N LYS 48 -14.306 -4.552 13.930 1.00 0.00 ATOM 247 CA LYS 48 -15.703 -4.150 14.168 1.00 0.00 ATOM 248 CB LYS 48 -15.977 -4.024 15.668 1.00 0.00 ATOM 249 CG LYS 48 -15.960 -5.347 16.415 1.00 0.00 ATOM 250 CD LYS 48 -16.208 -5.146 17.901 1.00 0.00 ATOM 251 CE LYS 48 -16.231 -6.473 18.642 1.00 0.00 ATOM 252 NZ LYS 48 -16.445 -6.289 20.104 1.00 0.00 ATOM 253 O LYS 48 -17.325 -2.554 13.396 1.00 0.00 ATOM 254 C LYS 48 -16.129 -2.811 13.560 1.00 0.00 ATOM 255 N PRO 49 -15.168 -1.949 13.224 1.00 0.00 ATOM 256 CA PRO 49 -15.472 -0.656 12.586 1.00 0.00 ATOM 257 CB PRO 49 -14.130 0.081 12.586 1.00 0.00 ATOM 258 CG PRO 49 -13.108 -1.006 12.614 1.00 0.00 ATOM 259 CD PRO 49 -13.710 -2.125 13.418 1.00 0.00 ATOM 260 O PRO 49 -15.491 -1.738 10.438 1.00 0.00 ATOM 261 C PRO 49 -16.002 -0.874 11.168 1.00 0.00 ATOM 262 N SER 50 -17.007 -0.086 10.774 1.00 0.00 ATOM 263 CA SER 50 -17.659 -0.240 9.460 1.00 0.00 ATOM 264 CB SER 50 -18.758 0.809 9.282 1.00 0.00 ATOM 265 OG SER 50 -18.214 2.116 9.232 1.00 0.00 ATOM 266 O SER 50 -16.966 -0.665 7.195 1.00 0.00 ATOM 267 C SER 50 -16.720 -0.085 8.255 1.00 0.00 ATOM 268 N HIS 51 -15.649 0.686 8.422 1.00 0.00 ATOM 269 CA HIS 51 -14.687 0.937 7.351 1.00 0.00 ATOM 270 CB HIS 51 -14.205 2.388 7.393 1.00 0.00 ATOM 271 CG HIS 51 -15.287 3.392 7.145 1.00 0.00 ATOM 272 CD2 HIS 51 -16.035 4.338 7.962 1.00 0.00 ATOM 273 ND1 HIS 51 -15.827 3.609 5.896 1.00 0.00 ATOM 274 CE1 HIS 51 -16.772 4.564 5.987 1.00 0.00 ATOM 275 NE2 HIS 51 -16.900 5.005 7.223 1.00 0.00 ATOM 276 O HIS 51 -12.487 0.320 6.635 1.00 0.00 ATOM 277 C HIS 51 -13.413 0.060 7.400 1.00 0.00 ATOM 278 N GLY 52 -13.368 -0.964 8.263 1.00 0.00 ATOM 279 CA GLY 52 -12.172 -1.839 8.434 1.00 0.00 ATOM 280 O GLY 52 -13.470 -3.849 8.652 1.00 0.00 ATOM 281 C GLY 52 -12.449 -3.329 8.198 1.00 0.00 ATOM 282 N GLY 53 -11.529 -4.023 7.512 1.00 0.00 ATOM 283 CA GLY 53 -11.521 -5.512 7.477 1.00 0.00 ATOM 284 O GLY 53 -9.179 -5.585 6.942 1.00 0.00 ATOM 285 C GLY 53 -10.094 -6.087 7.588 1.00 0.00 ATOM 286 N ILE 54 -9.934 -7.136 8.397 1.00 0.00 ATOM 287 CA ILE 54 -8.684 -7.911 8.532 1.00 0.00 ATOM 288 CB ILE 54 -8.317 -8.137 10.011 1.00 0.00 ATOM 289 CG1 ILE 54 -8.106 -6.798 10.719 1.00 0.00 ATOM 290 CG2 ILE 54 -7.037 -8.950 10.123 1.00 0.00 ATOM 291 CD1 ILE 54 -7.953 -6.919 12.219 1.00 0.00 ATOM 292 O ILE 54 -9.777 -10.031 8.176 1.00 0.00 ATOM 293 C ILE 54 -8.849 -9.288 7.858 1.00 0.00 ATOM 294 N VAL 55 -7.958 -9.622 6.927 1.00 0.00 ATOM 295 CA VAL 55 -7.973 -10.916 6.221 1.00 0.00 ATOM 296 CB VAL 55 -8.110 -10.727 4.698 1.00 0.00 ATOM 297 CG1 VAL 55 -8.087 -12.072 3.990 1.00 0.00 ATOM 298 CG2 VAL 55 -9.420 -10.030 4.364 1.00 0.00 ATOM 299 O VAL 55 -5.555 -11.183 6.245 1.00 0.00 ATOM 300 C VAL 55 -6.656 -11.707 6.486 1.00 0.00 ATOM 301 N ARG 56 -6.802 -12.929 7.023 1.00 0.00 ATOM 302 CA ARG 56 -5.709 -13.911 7.206 1.00 0.00 ATOM 303 CB ARG 56 -6.137 -15.015 8.177 1.00 0.00 ATOM 304 CG ARG 56 -5.027 -15.988 8.537 1.00 0.00 ATOM 305 CD ARG 56 -5.536 -17.094 9.448 1.00 0.00 ATOM 306 NE ARG 56 -5.920 -16.585 10.763 1.00 0.00 ATOM 307 CZ ARG 56 -5.072 -16.396 11.769 1.00 0.00 ATOM 308 NH1 ARG 56 -5.512 -15.929 12.929 1.00 0.00 ATOM 309 NH2 ARG 56 -3.785 -16.675 11.612 1.00 0.00 ATOM 310 O ARG 56 -6.149 -15.345 5.337 1.00 0.00 ATOM 311 C ARG 56 -5.387 -14.520 5.846 1.00 0.00 ATOM 312 N ASP 57 -4.296 -14.065 5.236 1.00 0.00 ATOM 313 CA ASP 57 -3.957 -14.417 3.856 1.00 0.00 ATOM 314 CB ASP 57 -4.707 -13.517 2.873 1.00 0.00 ATOM 315 CG ASP 57 -4.671 -14.047 1.453 1.00 0.00 ATOM 316 OD1 ASP 57 -3.565 -14.135 0.880 1.00 0.00 ATOM 317 OD2 ASP 57 -5.748 -14.374 0.914 1.00 0.00 ATOM 318 O ASP 57 -1.855 -13.245 3.989 1.00 0.00 ATOM 319 C ASP 57 -2.441 -14.252 3.607 1.00 0.00 ATOM 320 N ASP 58 -1.838 -15.244 2.944 1.00 0.00 ATOM 321 CA ASP 58 -0.421 -15.214 2.532 1.00 0.00 ATOM 322 CB ASP 58 0.180 -16.621 2.576 1.00 0.00 ATOM 323 CG ASP 58 1.656 -16.634 2.232 1.00 0.00 ATOM 324 OD1 ASP 58 2.191 -15.568 1.862 1.00 0.00 ATOM 325 OD2 ASP 58 2.281 -17.711 2.334 1.00 0.00 ATOM 326 O ASP 58 -0.988 -15.246 0.213 1.00 0.00 ATOM 327 C ASP 58 -0.362 -14.666 1.102 1.00 0.00 ATOM 328 N ILE 59 0.386 -13.571 0.879 1.00 0.00 ATOM 329 CA ILE 59 0.453 -12.908 -0.452 1.00 0.00 ATOM 330 CB ILE 59 1.374 -11.674 -0.424 1.00 0.00 ATOM 331 CG1 ILE 59 1.098 -10.774 -1.630 1.00 0.00 ATOM 332 CG2 ILE 59 2.835 -12.099 -0.465 1.00 0.00 ATOM 333 CD1 ILE 59 -0.285 -10.160 -1.628 1.00 0.00 ATOM 334 O ILE 59 0.794 -13.433 -2.766 1.00 0.00 ATOM 335 C ILE 59 0.986 -13.793 -1.593 1.00 0.00 ATOM 336 N THR 60 1.636 -14.931 -1.271 1.00 0.00 ATOM 337 CA THR 60 2.073 -15.864 -2.330 1.00 0.00 ATOM 338 CB THR 60 3.018 -16.945 -1.775 1.00 0.00 ATOM 339 CG2 THR 60 4.255 -16.306 -1.162 1.00 0.00 ATOM 340 OG1 THR 60 2.341 -17.705 -0.767 1.00 0.00 ATOM 341 O THR 60 1.029 -17.183 -4.045 1.00 0.00 ATOM 342 C THR 60 0.881 -16.592 -2.979 1.00 0.00 ATOM 343 N SER 61 -0.284 -16.554 -2.325 1.00 0.00 ATOM 344 CA SER 61 -1.534 -17.117 -2.845 1.00 0.00 ATOM 345 CB SER 61 -2.357 -17.736 -1.712 1.00 0.00 ATOM 346 OG SER 61 -3.614 -18.187 -2.184 1.00 0.00 ATOM 347 O SER 61 -2.502 -14.896 -3.008 1.00 0.00 ATOM 348 C SER 61 -2.388 -16.007 -3.525 1.00 0.00 ATOM 349 N PRO 62 -2.978 -16.279 -4.708 1.00 0.00 ATOM 350 CA PRO 62 -3.780 -15.239 -5.420 1.00 0.00 ATOM 351 CB PRO 62 -4.325 -15.968 -6.650 1.00 0.00 ATOM 352 CG PRO 62 -4.527 -17.373 -6.190 1.00 0.00 ATOM 353 CD PRO 62 -3.347 -17.700 -5.319 1.00 0.00 ATOM 354 O PRO 62 -5.677 -15.374 -3.952 1.00 0.00 ATOM 355 C PRO 62 -4.953 -14.627 -4.633 1.00 0.00 ATOM 359 N ARG 68 -9.814 -8.799 -4.992 1.00 0.00 ATOM 360 CA ARG 68 -10.676 -7.777 -4.378 1.00 0.00 ATOM 361 CB ARG 68 -10.190 -7.445 -2.966 1.00 0.00 ATOM 362 CG ARG 68 -10.205 -8.626 -2.009 1.00 0.00 ATOM 363 CD ARG 68 -11.627 -9.028 -1.653 1.00 0.00 ATOM 364 NE ARG 68 -11.660 -10.111 -0.673 1.00 0.00 ATOM 365 CZ ARG 68 -12.770 -10.708 -0.255 1.00 0.00 ATOM 366 NH1 ARG 68 -12.703 -11.684 0.640 1.00 0.00 ATOM 367 NH2 ARG 68 -13.947 -10.327 -0.733 1.00 0.00 ATOM 368 O ARG 68 -9.869 -6.301 -6.105 1.00 0.00 ATOM 369 C ARG 68 -10.682 -6.458 -5.201 1.00 0.00 ATOM 370 N GLY 69 -11.604 -5.534 -4.907 1.00 0.00 ATOM 371 CA GLY 69 -11.707 -4.240 -5.628 1.00 0.00 ATOM 372 O GLY 69 -11.905 -2.746 -3.767 1.00 0.00 ATOM 373 C GLY 69 -11.250 -3.058 -4.758 1.00 0.00 ATOM 374 N ALA 70 -10.138 -2.412 -5.129 1.00 0.00 ATOM 375 CA ALA 70 -9.569 -1.279 -4.367 1.00 0.00 ATOM 376 CB ALA 70 -8.429 -1.756 -3.481 1.00 0.00 ATOM 377 O ALA 70 -8.800 -0.461 -6.505 1.00 0.00 ATOM 378 C ALA 70 -9.021 -0.198 -5.319 1.00 0.00 ATOM 379 N ALA 71 -8.823 1.010 -4.784 1.00 0.00 ATOM 380 CA ALA 71 -8.244 2.158 -5.522 1.00 0.00 ATOM 381 CB ALA 71 -8.853 3.463 -5.031 1.00 0.00 ATOM 382 O ALA 71 -6.038 2.797 -6.263 1.00 0.00 ATOM 383 C ALA 71 -6.709 2.284 -5.357 1.00 0.00 ATOM 384 N LEU 72 -6.172 1.829 -4.215 1.00 0.00 ATOM 385 CA LEU 72 -4.745 1.960 -3.850 1.00 0.00 ATOM 386 CB LEU 72 -4.532 3.173 -2.945 1.00 0.00 ATOM 387 CG LEU 72 -4.820 4.541 -3.566 1.00 0.00 ATOM 388 CD1 LEU 72 -4.786 5.633 -2.507 1.00 0.00 ATOM 389 CD2 LEU 72 -3.785 4.878 -4.629 1.00 0.00 ATOM 390 O LEU 72 -5.046 0.119 -2.350 1.00 0.00 ATOM 391 C LEU 72 -4.266 0.702 -3.100 1.00 0.00 ATOM 392 N ILE 73 -2.997 0.311 -3.297 1.00 0.00 ATOM 393 CA ILE 73 -2.360 -0.811 -2.573 1.00 0.00 ATOM 394 CB ILE 73 -2.100 -2.010 -3.506 1.00 0.00 ATOM 395 CG1 ILE 73 -3.416 -2.523 -4.093 1.00 0.00 ATOM 396 CG2 ILE 73 -1.437 -3.145 -2.740 1.00 0.00 ATOM 397 CD1 ILE 73 -3.236 -3.584 -5.156 1.00 0.00 ATOM 398 O ILE 73 -0.107 -0.012 -2.749 1.00 0.00 ATOM 399 C ILE 73 -1.017 -0.372 -1.984 1.00 0.00 ATOM 400 N TYR 74 -0.903 -0.388 -0.650 1.00 0.00 ATOM 401 CA TYR 74 0.391 -0.224 0.041 1.00 0.00 ATOM 402 CB TYR 74 0.201 0.528 1.361 1.00 0.00 ATOM 403 CG TYR 74 -0.170 1.983 1.188 1.00 0.00 ATOM 404 CD1 TYR 74 -1.502 2.378 1.155 1.00 0.00 ATOM 405 CD2 TYR 74 0.810 2.957 1.060 1.00 0.00 ATOM 406 CE1 TYR 74 -1.851 3.706 0.997 1.00 0.00 ATOM 407 CE2 TYR 74 0.480 4.291 0.901 1.00 0.00 ATOM 408 CZ TYR 74 -0.865 4.659 0.871 1.00 0.00 ATOM 409 OH TYR 74 -1.210 5.981 0.715 1.00 0.00 ATOM 410 O TYR 74 0.421 -2.389 1.140 1.00 0.00 ATOM 411 C TYR 74 0.968 -1.630 0.324 1.00 0.00 ATOM 412 N SER 75 2.027 -2.003 -0.392 1.00 0.00 ATOM 413 CA SER 75 2.585 -3.378 -0.328 1.00 0.00 ATOM 414 CB SER 75 3.053 -3.832 -1.712 1.00 0.00 ATOM 415 OG SER 75 3.564 -5.153 -1.669 1.00 0.00 ATOM 416 O SER 75 4.937 -3.173 0.243 1.00 0.00 ATOM 417 C SER 75 3.798 -3.481 0.628 1.00 0.00 ATOM 418 N ILE 76 3.526 -3.860 1.890 1.00 0.00 ATOM 419 CA ILE 76 4.501 -3.970 2.988 1.00 0.00 ATOM 420 CB ILE 76 4.015 -3.233 4.249 1.00 0.00 ATOM 421 CG1 ILE 76 2.718 -3.858 4.765 1.00 0.00 ATOM 422 CG2 ILE 76 3.755 -1.766 3.944 1.00 0.00 ATOM 423 CD1 ILE 76 2.291 -3.346 6.123 1.00 0.00 ATOM 424 O ILE 76 5.649 -5.601 4.351 1.00 0.00 ATOM 425 C ILE 76 4.827 -5.419 3.464 1.00 0.00 ATOM 426 N ARG 77 4.197 -6.442 2.878 1.00 0.00 ATOM 427 CA ARG 77 4.398 -7.839 3.322 1.00 0.00 ATOM 428 CB ARG 77 3.404 -8.771 2.628 1.00 0.00 ATOM 429 CG ARG 77 3.337 -10.166 3.228 1.00 0.00 ATOM 430 CD ARG 77 4.448 -11.053 2.689 1.00 0.00 ATOM 431 NE ARG 77 4.314 -12.435 3.144 1.00 0.00 ATOM 432 CZ ARG 77 5.192 -13.397 2.881 1.00 0.00 ATOM 433 NH1 ARG 77 4.988 -14.626 3.335 1.00 0.00 ATOM 434 NH2 ARG 77 6.274 -13.127 2.163 1.00 0.00 ATOM 435 O ARG 77 6.128 -8.719 1.884 1.00 0.00 ATOM 436 C ARG 77 5.800 -8.421 3.037 1.00 0.00 ATOM 437 N PRO 78 6.596 -8.606 4.090 1.00 0.00 ATOM 438 CA PRO 78 7.913 -9.302 4.055 1.00 0.00 ATOM 439 CB PRO 78 8.774 -8.422 3.148 1.00 0.00 ATOM 440 CG PRO 78 7.793 -7.710 2.277 1.00 0.00 ATOM 441 CD PRO 78 6.596 -7.428 3.142 1.00 0.00 ATOM 442 O PRO 78 8.253 -8.423 6.237 1.00 0.00 ATOM 443 C PRO 78 8.438 -9.373 5.492 1.00 0.00 ATOM 444 N PRO 79 9.146 -10.461 5.874 1.00 0.00 ATOM 445 CA PRO 79 9.925 -10.355 7.123 1.00 0.00 ATOM 446 CB PRO 79 10.538 -11.746 7.295 1.00 0.00 ATOM 447 CG PRO 79 10.773 -12.226 5.901 1.00 0.00 ATOM 448 CD PRO 79 9.575 -11.792 5.104 1.00 0.00 ATOM 449 O PRO 79 11.515 -9.063 5.884 1.00 0.00 ATOM 450 C PRO 79 11.001 -9.269 6.981 1.00 0.00 ATOM 451 N ALA 80 13.936 -19.618 1.959 1.00 0.00 ATOM 452 CA ALA 80 12.971 -19.929 0.893 1.00 0.00 ATOM 453 CB ALA 80 12.628 -21.411 0.905 1.00 0.00 ATOM 454 O ALA 80 11.129 -18.520 0.139 1.00 0.00 ATOM 455 C ALA 80 11.661 -19.119 1.089 1.00 0.00 ATOM 456 N GLU 81 11.139 -19.079 2.315 1.00 0.00 ATOM 457 CA GLU 81 9.938 -18.272 2.594 1.00 0.00 ATOM 458 CB GLU 81 9.563 -18.364 4.075 1.00 0.00 ATOM 459 CG GLU 81 9.012 -19.719 4.492 1.00 0.00 ATOM 460 CD GLU 81 8.769 -19.813 5.984 1.00 0.00 ATOM 461 OE1 GLU 81 9.097 -18.847 6.704 1.00 0.00 ATOM 462 OE2 GLU 81 8.246 -20.855 6.436 1.00 0.00 ATOM 463 O GLU 81 9.260 -16.143 1.684 1.00 0.00 ATOM 464 C GLU 81 10.142 -16.795 2.265 1.00 0.00 ATOM 465 N ILE 82 11.296 -16.252 2.654 1.00 0.00 ATOM 466 CA ILE 82 11.613 -14.832 2.392 1.00 0.00 ATOM 467 CB ILE 82 12.998 -14.452 2.946 1.00 0.00 ATOM 468 CG1 ILE 82 12.992 -14.496 4.475 1.00 0.00 ATOM 469 CG2 ILE 82 13.379 -13.047 2.506 1.00 0.00 ATOM 470 CD1 ILE 82 14.370 -14.402 5.094 1.00 0.00 ATOM 471 O ILE 82 11.008 -13.523 0.413 1.00 0.00 ATOM 472 C ILE 82 11.620 -14.527 0.886 1.00 0.00 ATOM 473 N HIS 83 12.306 -15.371 0.126 1.00 0.00 ATOM 474 CA HIS 83 12.392 -15.188 -1.329 1.00 0.00 ATOM 475 CB HIS 83 13.294 -16.255 -1.951 1.00 0.00 ATOM 476 CG HIS 83 14.715 -16.192 -1.484 1.00 0.00 ATOM 477 CD2 HIS 83 15.577 -17.035 -0.669 1.00 0.00 ATOM 478 ND1 HIS 83 15.560 -15.154 -1.811 1.00 0.00 ATOM 479 CE1 HIS 83 16.762 -15.376 -1.250 1.00 0.00 ATOM 480 NE2 HIS 83 16.780 -16.502 -0.563 1.00 0.00 ATOM 481 O HIS 83 10.665 -14.448 -2.857 1.00 0.00 ATOM 482 C HIS 83 11.017 -15.290 -2.016 1.00 0.00 ATOM 483 N SER 84 4.477 -10.086 -7.588 1.00 0.00 ATOM 484 CA SER 84 3.811 -10.369 -8.857 1.00 0.00 ATOM 485 CB SER 84 4.274 -11.715 -9.418 1.00 0.00 ATOM 486 OG SER 84 5.645 -11.676 -9.770 1.00 0.00 ATOM 487 O SER 84 1.551 -9.891 -9.567 1.00 0.00 ATOM 488 C SER 84 2.283 -10.432 -8.718 1.00 0.00 ATOM 489 N SER 85 1.803 -11.089 -7.666 1.00 0.00 ATOM 490 CA SER 85 0.352 -11.201 -7.417 1.00 0.00 ATOM 491 CB SER 85 0.085 -12.080 -6.193 1.00 0.00 ATOM 492 OG SER 85 0.479 -13.420 -6.432 1.00 0.00 ATOM 493 O SER 85 -1.376 -9.507 -7.657 1.00 0.00 ATOM 494 C SER 85 -0.287 -9.810 -7.155 1.00 0.00 ATOM 495 N LEU 86 0.389 -8.952 -6.394 1.00 0.00 ATOM 496 CA LEU 86 -0.165 -7.619 -6.112 1.00 0.00 ATOM 497 CB LEU 86 0.627 -6.933 -4.998 1.00 0.00 ATOM 498 CG LEU 86 0.508 -7.549 -3.603 1.00 0.00 ATOM 499 CD1 LEU 86 1.461 -6.870 -2.631 1.00 0.00 ATOM 500 CD2 LEU 86 -0.908 -7.397 -3.067 1.00 0.00 ATOM 501 O LEU 86 -1.068 -5.837 -7.502 1.00 0.00 ATOM 502 C LEU 86 -0.144 -6.656 -7.328 1.00 0.00 ATOM 503 N MET 87 0.873 -6.782 -8.184 1.00 0.00 ATOM 504 CA MET 87 0.897 -6.032 -9.453 1.00 0.00 ATOM 505 CB MET 87 2.254 -6.187 -10.141 1.00 0.00 ATOM 506 CG MET 87 3.397 -5.489 -9.423 1.00 0.00 ATOM 507 SD MET 87 4.989 -5.754 -10.228 1.00 0.00 ATOM 508 CE MET 87 4.780 -4.783 -11.719 1.00 0.00 ATOM 509 O MET 87 -0.822 -5.738 -11.144 1.00 0.00 ATOM 510 C MET 87 -0.188 -6.533 -10.424 1.00 0.00 ATOM 511 N ARG 88 -0.432 -7.844 -10.425 1.00 0.00 ATOM 512 CA ARG 88 -1.538 -8.427 -11.207 1.00 0.00 ATOM 513 CB ARG 88 -1.572 -9.946 -11.035 1.00 0.00 ATOM 514 CG ARG 88 -0.427 -10.674 -11.720 1.00 0.00 ATOM 515 CD ARG 88 -0.482 -12.169 -11.448 1.00 0.00 ATOM 516 NE ARG 88 0.628 -12.881 -12.076 1.00 0.00 ATOM 517 CZ ARG 88 0.857 -14.183 -11.935 1.00 0.00 ATOM 518 NH1 ARG 88 1.893 -14.743 -12.546 1.00 0.00 ATOM 519 NH2 ARG 88 0.049 -14.920 -11.185 1.00 0.00 ATOM 520 O ARG 88 -3.781 -7.582 -11.627 1.00 0.00 ATOM 521 C ARG 88 -2.906 -7.893 -10.787 1.00 0.00 ATOM 522 N VAL 89 -3.104 -7.804 -9.478 1.00 0.00 ATOM 523 CA VAL 89 -4.307 -7.174 -8.927 1.00 0.00 ATOM 524 CB VAL 89 -4.299 -7.191 -7.387 1.00 0.00 ATOM 525 CG1 VAL 89 -5.450 -6.362 -6.838 1.00 0.00 ATOM 526 CG2 VAL 89 -4.442 -8.615 -6.869 1.00 0.00 ATOM 527 O VAL 89 -5.506 -5.266 -9.856 1.00 0.00 ATOM 528 C VAL 89 -4.443 -5.690 -9.364 1.00 0.00 ATOM 529 N ALA 90 -3.382 -4.901 -9.193 1.00 0.00 ATOM 530 CA ALA 90 -3.399 -3.481 -9.583 1.00 0.00 ATOM 531 CB ALA 90 -2.036 -2.850 -9.346 1.00 0.00 ATOM 532 O ALA 90 -4.524 -2.364 -11.445 1.00 0.00 ATOM 533 C ALA 90 -3.747 -3.280 -11.074 1.00 0.00 ATOM 534 N ASP 91 -3.164 -4.118 -11.927 1.00 0.00 ATOM 535 CA ASP 91 -3.447 -4.090 -13.364 1.00 0.00 ATOM 536 CB ASP 91 -2.649 -5.175 -14.089 1.00 0.00 ATOM 537 CG ASP 91 -1.170 -4.850 -14.176 1.00 0.00 ATOM 538 OD1 ASP 91 -0.799 -3.691 -13.897 1.00 0.00 ATOM 539 OD2 ASP 91 -0.383 -5.754 -14.527 1.00 0.00 ATOM 540 O ASP 91 -5.574 -3.598 -14.428 1.00 0.00 ATOM 541 C ASP 91 -4.945 -4.331 -13.647 1.00 0.00 ATOM 542 N ALA 92 -5.518 -5.365 -13.027 1.00 0.00 ATOM 543 CA ALA 92 -6.902 -5.757 -13.303 1.00 0.00 ATOM 544 CB ALA 92 -7.257 -7.022 -12.537 1.00 0.00 ATOM 545 O ALA 92 -8.856 -4.362 -13.649 1.00 0.00 ATOM 546 C ALA 92 -7.910 -4.667 -12.890 1.00 0.00 ATOM 547 N VAL 93 -7.729 -4.087 -11.704 1.00 0.00 ATOM 548 CA VAL 93 -8.726 -3.140 -11.158 1.00 0.00 ATOM 549 CB VAL 93 -8.909 -3.326 -9.641 1.00 0.00 ATOM 550 CG1 VAL 93 -9.357 -4.745 -9.328 1.00 0.00 ATOM 551 CG2 VAL 93 -7.601 -3.064 -8.910 1.00 0.00 ATOM 552 O VAL 93 -9.213 -0.775 -11.041 1.00 0.00 ATOM 553 C VAL 93 -8.391 -1.646 -11.346 1.00 0.00 ATOM 554 N GLY 94 -7.207 -1.338 -11.869 1.00 0.00 ATOM 555 CA GLY 94 -6.815 0.058 -12.088 1.00 0.00 ATOM 556 O GLY 94 -6.565 2.013 -10.716 1.00 0.00 ATOM 557 C GLY 94 -6.370 0.788 -10.830 1.00 0.00 ATOM 558 N ALA 95 -5.739 0.049 -9.903 1.00 0.00 ATOM 559 CA ALA 95 -5.221 0.618 -8.646 1.00 0.00 ATOM 560 CB ALA 95 -5.215 -0.438 -7.551 1.00 0.00 ATOM 561 O ALA 95 -3.021 0.615 -9.592 1.00 0.00 ATOM 562 C ALA 95 -3.788 1.141 -8.787 1.00 0.00 ATOM 563 N ARG 96 -3.447 2.144 -7.977 1.00 0.00 ATOM 564 CA ARG 96 -2.071 2.637 -7.803 1.00 0.00 ATOM 565 CB ARG 96 -2.078 4.113 -7.400 1.00 0.00 ATOM 566 CG ARG 96 -0.693 4.715 -7.225 1.00 0.00 ATOM 567 CD ARG 96 -0.773 6.181 -6.830 1.00 0.00 ATOM 568 NE ARG 96 0.547 6.756 -6.587 1.00 0.00 ATOM 569 CZ ARG 96 0.754 7.972 -6.092 1.00 0.00 ATOM 570 NH1 ARG 96 1.990 8.410 -5.905 1.00 0.00 ATOM 571 NH2 ARG 96 -0.279 8.745 -5.783 1.00 0.00 ATOM 572 O ARG 96 -1.946 1.642 -5.613 1.00 0.00 ATOM 573 C ARG 96 -1.376 1.809 -6.694 1.00 0.00 ATOM 574 N LEU 97 -0.166 1.294 -6.957 1.00 0.00 ATOM 575 CA LEU 97 0.568 0.456 -5.982 1.00 0.00 ATOM 576 CB LEU 97 0.970 -0.877 -6.617 1.00 0.00 ATOM 577 CG LEU 97 1.791 -1.824 -5.738 1.00 0.00 ATOM 578 CD1 LEU 97 0.964 -2.319 -4.562 1.00 0.00 ATOM 579 CD2 LEU 97 2.251 -3.034 -6.539 1.00 0.00 ATOM 580 O LEU 97 2.625 1.644 -6.302 1.00 0.00 ATOM 581 C LEU 97 1.845 1.141 -5.489 1.00 0.00 ATOM 582 N ILE 98 2.056 1.133 -4.165 1.00 0.00 ATOM 583 CA ILE 98 3.315 1.583 -3.554 1.00 0.00 ATOM 584 CB ILE 98 3.062 2.582 -2.412 1.00 0.00 ATOM 585 CG1 ILE 98 2.351 3.830 -2.940 1.00 0.00 ATOM 586 CG2 ILE 98 4.377 3.010 -1.777 1.00 0.00 ATOM 587 CD1 ILE 98 1.861 4.761 -1.853 1.00 0.00 ATOM 588 O ILE 98 3.541 -0.419 -2.203 1.00 0.00 ATOM 589 C ILE 98 4.097 0.376 -2.969 1.00 0.00 ATOM 590 N ILE 99 5.387 0.263 -3.310 1.00 0.00 ATOM 591 CA ILE 99 6.284 -0.785 -2.791 1.00 0.00 ATOM 592 CB ILE 99 7.259 -1.281 -3.875 1.00 0.00 ATOM 593 CG1 ILE 99 6.490 -1.900 -5.042 1.00 0.00 ATOM 594 CG2 ILE 99 8.201 -2.331 -3.305 1.00 0.00 ATOM 595 CD1 ILE 99 7.349 -2.193 -6.254 1.00 0.00 ATOM 596 O ILE 99 7.829 0.739 -1.764 1.00 0.00 ATOM 597 C ILE 99 7.122 -0.273 -1.622 1.00 0.00 ATOM 598 N LYS 100 7.116 -1.019 -0.510 1.00 0.00 ATOM 599 CA LYS 100 8.021 -0.770 0.619 1.00 0.00 ATOM 600 CB LYS 100 7.427 -1.326 1.915 1.00 0.00 ATOM 601 CG LYS 100 8.028 -0.730 3.179 1.00 0.00 ATOM 602 CD LYS 100 7.647 -1.541 4.406 1.00 0.00 ATOM 603 CE LYS 100 8.542 -2.759 4.563 1.00 0.00 ATOM 604 NZ LYS 100 9.839 -2.415 5.208 1.00 0.00 ATOM 605 O LYS 100 9.630 -2.551 0.878 1.00 0.00 ATOM 606 C LYS 100 9.369 -1.439 0.383 1.00 0.00 ATOM 607 N PRO 101 10.233 -0.755 -0.367 1.00 0.00 ATOM 608 CA PRO 101 11.614 -1.196 -0.560 1.00 0.00 ATOM 609 CB PRO 101 12.031 -0.537 -1.875 1.00 0.00 ATOM 610 CG PRO 101 11.267 0.744 -1.912 1.00 0.00 ATOM 611 CD PRO 101 9.936 0.453 -1.274 1.00 0.00 ATOM 612 O PRO 101 11.994 -0.265 1.630 1.00 0.00 ATOM 613 C PRO 101 12.507 -0.738 0.613 1.00 0.00 ATOM 614 N LEU 102 13.826 -0.903 0.473 1.00 0.00 ATOM 615 CA LEU 102 14.758 -0.874 1.596 1.00 0.00 ATOM 616 CB LEU 102 15.042 -2.292 2.095 1.00 0.00 ATOM 617 CG LEU 102 13.859 -3.046 2.705 1.00 0.00 ATOM 618 CD1 LEU 102 14.230 -4.494 2.986 1.00 0.00 ATOM 619 CD2 LEU 102 13.429 -2.403 4.014 1.00 0.00 ATOM 620 O LEU 102 16.547 -0.397 0.063 1.00 0.00 ATOM 621 C LEU 102 16.091 -0.237 1.195 1.00 0.00 TER END