PFRMAT TS TARGET T0437 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 T0437 model 1 Fri Jun 6 13:24:00 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 -13.908 -8.876 1.773 1.00 0.00 ATOM 2 CA MET 1 -15.316 -8.990 1.327 1.00 0.00 ATOM 3 CB MET 1 -15.828 -7.639 0.821 1.00 0.00 ATOM 4 CG MET 1 -17.314 -7.620 0.503 1.00 0.00 ATOM 5 SD MET 1 -17.876 -6.015 -0.094 1.00 0.00 ATOM 6 CE MET 1 -17.866 -5.065 1.425 1.00 0.00 ATOM 7 O MET 1 -14.551 -10.115 -0.648 1.00 0.00 ATOM 8 C MET 1 -15.440 -10.003 0.199 1.00 0.00 ATOM 9 N LYS 2 -16.541 -10.737 0.185 1.00 0.00 ATOM 10 CA LYS 2 -16.784 -11.704 -0.879 1.00 0.00 ATOM 11 CB LYS 2 -18.075 -12.390 -0.798 1.00 0.00 ATOM 12 CG LYS 2 -18.134 -13.351 0.377 1.00 0.00 ATOM 13 CD LYS 2 -19.410 -14.176 0.355 1.00 0.00 ATOM 14 CE LYS 2 -19.421 -15.202 1.478 1.00 0.00 ATOM 15 NZ LYS 2 -20.657 -16.034 1.454 1.00 0.00 ATOM 16 O LYS 2 -16.189 -11.434 -3.188 1.00 0.00 ATOM 17 C LYS 2 -16.819 -10.992 -2.227 1.00 0.00 ATOM 18 N ASP 3 -17.520 -9.880 -2.265 1.00 0.00 ATOM 19 CA ASP 3 -17.644 -9.117 -3.489 1.00 0.00 ATOM 20 CB ASP 3 -18.552 -7.909 -3.329 1.00 0.00 ATOM 21 CG ASP 3 -20.016 -8.300 -3.191 1.00 0.00 ATOM 22 OD1 ASP 3 -20.387 -9.412 -3.623 1.00 0.00 ATOM 23 OD2 ASP 3 -20.797 -7.482 -2.666 1.00 0.00 ATOM 24 O ASP 3 -15.945 -8.650 -5.116 1.00 0.00 ATOM 25 C ASP 3 -16.279 -8.601 -3.933 1.00 0.00 ATOM 26 N VAL 4 -15.494 -8.106 -2.982 1.00 0.00 ATOM 27 CA VAL 4 -14.167 -7.587 -3.292 1.00 0.00 ATOM 28 CB VAL 4 -13.525 -6.891 -2.115 1.00 0.00 ATOM 29 CG1 VAL 4 -12.963 -7.828 -1.054 1.00 0.00 ATOM 30 CG2 VAL 4 -12.479 -5.930 -2.633 1.00 0.00 ATOM 31 O VAL 4 -12.510 -8.429 -4.710 1.00 0.00 ATOM 32 C VAL 4 -13.261 -8.728 -3.782 1.00 0.00 ATOM 33 N VAL 5 -13.366 -9.921 -3.241 1.00 0.00 ATOM 34 CA VAL 5 -12.578 -11.038 -3.815 1.00 0.00 ATOM 35 CB VAL 5 -12.721 -12.320 -2.974 1.00 0.00 ATOM 36 CG1 VAL 5 -12.059 -13.495 -3.677 1.00 0.00 ATOM 37 CG2 VAL 5 -12.063 -12.142 -1.615 1.00 0.00 ATOM 38 O VAL 5 -12.162 -11.569 -6.119 1.00 0.00 ATOM 39 C VAL 5 -13.010 -11.331 -5.237 1.00 0.00 ATOM 40 N ASP 6 -14.316 -11.308 -5.489 1.00 0.00 ATOM 41 CA ASP 6 -14.771 -11.626 -6.835 1.00 0.00 ATOM 42 CB ASP 6 -16.300 -11.543 -6.865 1.00 0.00 ATOM 43 CG ASP 6 -16.961 -12.728 -6.191 1.00 0.00 ATOM 44 OD1 ASP 6 -16.258 -13.723 -5.913 1.00 0.00 ATOM 45 OD2 ASP 6 -18.183 -12.664 -5.940 1.00 0.00 ATOM 46 O ASP 6 -13.793 -11.064 -8.953 1.00 0.00 ATOM 47 C ASP 6 -14.186 -10.659 -7.859 1.00 0.00 ATOM 48 N LYS 7 -14.161 -9.356 -7.527 1.00 0.00 ATOM 49 CA LYS 7 -13.624 -8.343 -8.436 1.00 0.00 ATOM 50 CB LYS 7 -13.813 -6.939 -7.858 1.00 0.00 ATOM 51 CG LYS 7 -15.263 -6.484 -7.797 1.00 0.00 ATOM 52 CD LYS 7 -15.377 -5.083 -7.219 1.00 0.00 ATOM 53 CE LYS 7 -16.828 -4.640 -7.125 1.00 0.00 ATOM 54 NZ LYS 7 -16.955 -3.277 -6.539 1.00 0.00 ATOM 55 O LYS 7 -11.567 -8.500 -9.775 1.00 0.00 ATOM 56 C LYS 7 -12.130 -8.571 -8.691 1.00 0.00 ATOM 57 N CYS 8 -11.441 -8.855 -7.613 1.00 0.00 ATOM 58 CA CYS 8 -10.030 -9.007 -7.547 1.00 0.00 ATOM 59 CB CYS 8 -9.589 -9.302 -6.111 1.00 0.00 ATOM 60 SG CYS 8 -7.798 -9.417 -5.890 1.00 0.00 ATOM 61 O CYS 8 -8.552 -10.001 -9.071 1.00 0.00 ATOM 62 C CYS 8 -9.573 -10.173 -8.447 1.00 0.00 ATOM 63 N SER 9 -10.346 -11.332 -8.398 1.00 0.00 ATOM 64 CA SER 9 -9.934 -12.478 -9.183 1.00 0.00 ATOM 65 CB SER 9 -10.740 -13.716 -8.786 1.00 0.00 ATOM 66 OG SER 9 -12.109 -13.562 -9.114 1.00 0.00 ATOM 67 O SER 9 -9.920 -13.218 -11.429 1.00 0.00 ATOM 68 C SER 9 -10.128 -12.272 -10.674 1.00 0.00 ATOM 69 N THR 10 -10.609 -11.140 -11.165 1.00 0.00 ATOM 70 CA THR 10 -10.829 -10.956 -12.585 1.00 0.00 ATOM 71 CB THR 10 -11.648 -9.682 -12.868 1.00 0.00 ATOM 72 CG2 THR 10 -12.982 -9.734 -12.139 1.00 0.00 ATOM 73 OG1 THR 10 -10.920 -8.532 -12.419 1.00 0.00 ATOM 74 O THR 10 -8.422 -10.588 -12.689 1.00 0.00 ATOM 75 C THR 10 -9.473 -10.820 -13.294 1.00 0.00 ATOM 76 N LYS 11 -9.514 -10.935 -14.617 1.00 0.00 ATOM 77 CA LYS 11 -8.358 -10.669 -15.484 1.00 0.00 ATOM 78 CB LYS 11 -8.195 -9.217 -15.772 1.00 0.00 ATOM 79 CG LYS 11 -9.437 -8.604 -16.404 1.00 0.00 ATOM 80 CD LYS 11 -9.874 -9.396 -17.623 1.00 0.00 ATOM 81 CE LYS 11 -11.096 -8.780 -18.268 1.00 0.00 ATOM 82 NZ LYS 11 -11.574 -9.604 -19.408 1.00 0.00 ATOM 83 O LYS 11 -6.030 -11.147 -15.227 1.00 0.00 ATOM 84 C LYS 11 -7.178 -11.550 -15.135 1.00 0.00 ATOM 85 N GLY 12 -7.455 -12.798 -14.771 1.00 0.00 ATOM 86 CA GLY 12 -6.389 -13.696 -14.403 1.00 0.00 ATOM 87 O GLY 12 -4.775 -14.153 -12.698 1.00 0.00 ATOM 88 C GLY 12 -5.722 -13.458 -13.064 1.00 0.00 ATOM 89 N CYS 13 -6.218 -12.469 -12.326 1.00 0.00 ATOM 90 CA CYS 13 -5.659 -12.150 -11.019 1.00 0.00 ATOM 91 CB CYS 13 -6.506 -11.085 -10.358 1.00 0.00 ATOM 92 SG CYS 13 -5.744 -10.556 -8.765 1.00 0.00 ATOM 93 O CYS 13 -6.739 -14.043 -10.095 1.00 0.00 ATOM 94 C CYS 13 -5.735 -13.357 -10.113 1.00 0.00 ATOM 95 N ALA 14 -4.718 -13.635 -9.340 1.00 0.00 ATOM 96 CA ALA 14 -4.710 -14.720 -8.372 1.00 0.00 ATOM 97 CB ALA 14 -4.360 -16.003 -9.110 1.00 0.00 ATOM 98 O ALA 14 -2.608 -13.852 -7.685 1.00 0.00 ATOM 99 C ALA 14 -3.630 -14.419 -7.345 1.00 0.00 ATOM 100 N ILE 15 -3.809 -14.839 -6.111 1.00 0.00 ATOM 101 CA ILE 15 -2.785 -14.620 -5.087 1.00 0.00 ATOM 102 CB ILE 15 -3.390 -14.887 -3.702 1.00 0.00 ATOM 103 CG1 ILE 15 -4.420 -13.797 -3.374 1.00 0.00 ATOM 104 CG2 ILE 15 -2.278 -14.907 -2.650 1.00 0.00 ATOM 105 CD1 ILE 15 -5.274 -14.117 -2.163 1.00 0.00 ATOM 106 O ILE 15 -0.405 -14.939 -5.212 1.00 0.00 ATOM 107 C ILE 15 -1.522 -15.449 -5.363 1.00 0.00 ATOM 108 N ASP 16 -1.710 -16.701 -5.758 1.00 0.00 ATOM 109 CA ASP 16 -0.564 -17.570 -6.097 1.00 0.00 ATOM 110 CB ASP 16 -1.056 -18.973 -6.454 1.00 0.00 ATOM 111 CG ASP 16 -1.540 -19.747 -5.244 1.00 0.00 ATOM 112 OD1 ASP 16 -1.270 -19.303 -4.108 1.00 0.00 ATOM 113 OD2 ASP 16 -2.188 -20.798 -5.431 1.00 0.00 ATOM 114 O ASP 16 1.456 -17.103 -7.320 1.00 0.00 ATOM 115 C ASP 16 0.224 -17.026 -7.287 1.00 0.00 ATOM 116 N ILE 17 -0.465 -16.315 -8.289 1.00 0.00 ATOM 117 CA ILE 17 0.149 -15.750 -9.485 1.00 0.00 ATOM 118 CB ILE 17 -0.908 -15.385 -10.544 1.00 0.00 ATOM 119 CG1 ILE 17 -1.563 -16.650 -11.100 1.00 0.00 ATOM 120 CG2 ILE 17 -0.268 -14.627 -11.696 1.00 0.00 ATOM 121 CD1 ILE 17 -2.790 -16.382 -11.945 1.00 0.00 ATOM 122 O ILE 17 2.089 -14.341 -9.562 1.00 0.00 ATOM 123 C ILE 17 0.943 -14.494 -9.130 1.00 0.00 ATOM 124 N GLY 18 0.332 -13.611 -8.341 1.00 0.00 ATOM 125 CA GLY 18 0.998 -12.392 -7.891 1.00 0.00 ATOM 126 O GLY 18 3.258 -12.027 -7.181 1.00 0.00 ATOM 127 C GLY 18 2.230 -12.691 -7.045 1.00 0.00 ATOM 128 N THR 19 2.131 -13.721 -6.207 1.00 0.00 ATOM 129 CA THR 19 3.256 -14.177 -5.394 1.00 0.00 ATOM 130 CB THR 19 2.844 -15.324 -4.452 1.00 0.00 ATOM 131 CG2 THR 19 4.040 -15.808 -3.645 1.00 0.00 ATOM 132 OG1 THR 19 1.831 -14.863 -3.548 1.00 0.00 ATOM 133 O THR 19 5.568 -14.411 -5.973 1.00 0.00 ATOM 134 C THR 19 4.405 -14.692 -6.257 1.00 0.00 ATOM 135 N VAL 20 4.088 -15.528 -7.329 1.00 0.00 ATOM 136 CA VAL 20 5.080 -16.007 -8.292 1.00 0.00 ATOM 137 CB VAL 20 4.446 -16.946 -9.335 1.00 0.00 ATOM 138 CG1 VAL 20 5.443 -17.270 -10.437 1.00 0.00 ATOM 139 CG2 VAL 20 4.010 -18.250 -8.682 1.00 0.00 ATOM 140 O VAL 20 6.935 -14.816 -9.238 1.00 0.00 ATOM 141 C VAL 20 5.719 -14.850 -9.054 1.00 0.00 ATOM 142 N ILE 21 4.895 -13.908 -9.503 1.00 0.00 ATOM 143 CA ILE 21 5.398 -12.744 -10.248 1.00 0.00 ATOM 144 CB ILE 21 4.405 -12.277 -11.328 1.00 0.00 ATOM 145 CG1 ILE 21 4.222 -13.362 -12.390 1.00 0.00 ATOM 146 CG2 ILE 21 4.914 -11.016 -12.010 1.00 0.00 ATOM 147 CD1 ILE 21 3.093 -13.087 -13.359 1.00 0.00 ATOM 148 O ILE 21 4.779 -11.364 -8.402 1.00 0.00 ATOM 149 C ILE 21 5.619 -11.622 -9.265 1.00 0.00 ATOM 150 N ASP 22 6.756 -10.946 -9.390 1.00 0.00 ATOM 151 CA ASP 22 7.077 -9.838 -8.498 1.00 0.00 ATOM 152 CB ASP 22 8.576 -9.860 -8.191 1.00 0.00 ATOM 153 CG ASP 22 9.428 -9.679 -9.431 1.00 0.00 ATOM 154 OD1 ASP 22 8.857 -9.415 -10.510 1.00 0.00 ATOM 155 OD2 ASP 22 10.666 -9.800 -9.326 1.00 0.00 ATOM 156 O ASP 22 6.024 -8.522 -10.195 1.00 0.00 ATOM 157 C ASP 22 6.731 -8.533 -9.174 1.00 0.00 ATOM 158 N ASN 23 7.466 -7.290 -8.556 1.00 0.00 ATOM 159 CA ASN 23 7.391 -6.006 -9.232 1.00 0.00 ATOM 160 CB ASN 23 7.871 -4.885 -8.308 1.00 0.00 ATOM 161 CG ASN 23 9.351 -4.988 -7.989 1.00 0.00 ATOM 162 ND2 ASN 23 9.812 -4.165 -7.054 1.00 0.00 ATOM 163 OD1 ASN 23 10.067 -5.798 -8.577 1.00 0.00 ATOM 164 O ASN 23 9.115 -6.942 -10.623 1.00 0.00 ATOM 165 C ASN 23 8.269 -6.052 -10.477 1.00 0.00 ATOM 166 N ASP 24 8.099 -5.080 -11.347 1.00 0.00 ATOM 167 CA ASP 24 8.827 -5.076 -12.592 1.00 0.00 ATOM 168 CB ASP 24 8.348 -6.208 -13.502 1.00 0.00 ATOM 169 CG ASP 24 9.390 -6.609 -14.529 1.00 0.00 ATOM 170 OD1 ASP 24 10.383 -5.870 -14.687 1.00 0.00 ATOM 171 OD2 ASP 24 9.211 -7.664 -15.174 1.00 0.00 ATOM 172 O ASP 24 8.093 -2.817 -12.816 1.00 0.00 ATOM 173 C ASP 24 8.653 -3.779 -13.342 1.00 0.00 ATOM 174 N ASN 25 9.099 -3.779 -14.592 1.00 0.00 ATOM 175 CA ASN 25 9.041 -2.570 -15.404 1.00 0.00 ATOM 176 CB ASN 25 9.553 -2.849 -16.818 1.00 0.00 ATOM 177 CG ASN 25 11.056 -3.026 -16.870 1.00 0.00 ATOM 178 ND2 ASN 25 11.541 -3.662 -17.930 1.00 0.00 ATOM 179 OD1 ASN 25 11.774 -2.593 -15.967 1.00 0.00 ATOM 180 O ASN 25 7.436 -0.830 -15.805 1.00 0.00 ATOM 181 C ASN 25 7.622 -2.014 -15.537 1.00 0.00 ATOM 182 N CYS 26 6.655 -3.098 -15.411 1.00 0.00 ATOM 183 CA CYS 26 5.263 -2.691 -15.560 1.00 0.00 ATOM 184 CB CYS 26 4.611 -3.427 -16.732 1.00 0.00 ATOM 185 SG CYS 26 5.389 -3.117 -18.335 1.00 0.00 ATOM 186 O CYS 26 3.164 -3.070 -14.490 1.00 0.00 ATOM 187 C CYS 26 4.386 -2.986 -14.348 1.00 0.00 ATOM 188 N THR 27 4.977 -3.092 -13.164 1.00 0.00 ATOM 189 CA THR 27 4.180 -3.394 -11.979 1.00 0.00 ATOM 190 CB THR 27 3.842 -4.892 -11.871 1.00 0.00 ATOM 191 CG2 THR 27 5.105 -5.709 -11.647 1.00 0.00 ATOM 192 OG1 THR 27 2.951 -5.106 -10.770 1.00 0.00 ATOM 193 O THR 27 6.018 -3.227 -10.436 1.00 0.00 ATOM 194 C THR 27 4.813 -3.059 -10.633 1.00 0.00 ATOM 195 N SER 28 3.951 -2.819 -9.648 1.00 0.00 ATOM 196 CA SER 28 4.387 -2.498 -8.296 1.00 0.00 ATOM 197 CB SER 28 4.164 -1.010 -8.011 1.00 0.00 ATOM 198 OG SER 28 2.784 -0.690 -8.021 1.00 0.00 ATOM 199 O SER 28 2.431 -3.706 -7.651 1.00 0.00 ATOM 200 C SER 28 3.549 -3.319 -7.330 1.00 0.00 ATOM 201 N LYS 29 4.061 -3.546 -6.147 1.00 0.00 ATOM 202 CA LYS 29 3.337 -4.243 -5.097 1.00 0.00 ATOM 203 CB LYS 29 4.276 -5.200 -4.360 1.00 0.00 ATOM 204 CG LYS 29 4.763 -6.366 -5.207 1.00 0.00 ATOM 205 CD LYS 29 5.747 -7.232 -4.439 1.00 0.00 ATOM 206 CE LYS 29 6.272 -8.368 -5.302 1.00 0.00 ATOM 207 NZ LYS 29 7.280 -9.194 -4.580 1.00 0.00 ATOM 208 O LYS 29 3.618 -2.429 -3.557 1.00 0.00 ATOM 209 C LYS 29 2.834 -3.189 -4.131 1.00 0.00 ATOM 210 N PHE 30 1.525 -3.131 -3.947 1.00 0.00 ATOM 211 CA PHE 30 0.962 -2.163 -3.026 1.00 0.00 ATOM 212 CB PHE 30 -0.148 -1.389 -3.737 1.00 0.00 ATOM 213 CG PHE 30 -0.816 -0.357 -2.875 1.00 0.00 ATOM 214 CD1 PHE 30 -0.183 0.839 -2.585 1.00 0.00 ATOM 215 CD2 PHE 30 -2.079 -0.581 -2.352 1.00 0.00 ATOM 216 CE1 PHE 30 -0.799 1.789 -1.791 1.00 0.00 ATOM 217 CE2 PHE 30 -2.694 0.368 -1.559 1.00 0.00 ATOM 218 CZ PHE 30 -2.059 1.549 -1.276 1.00 0.00 ATOM 219 O PHE 30 -0.425 -3.796 -1.965 1.00 0.00 ATOM 220 C PHE 30 0.385 -2.881 -1.818 1.00 0.00 ATOM 221 N SER 31 0.822 -2.483 -0.631 1.00 0.00 ATOM 222 CA SER 31 0.333 -3.105 0.581 1.00 0.00 ATOM 223 CB SER 31 1.507 -3.526 1.467 1.00 0.00 ATOM 224 OG SER 31 1.050 -4.072 2.693 1.00 0.00 ATOM 225 O SER 31 -0.125 -1.126 1.888 1.00 0.00 ATOM 226 C SER 31 -0.551 -2.189 1.417 1.00 0.00 ATOM 227 N ARG 32 -1.800 -2.610 1.567 1.00 0.00 ATOM 228 CA ARG 32 -2.774 -1.887 2.371 1.00 0.00 ATOM 229 CB ARG 32 -4.190 -2.146 1.852 1.00 0.00 ATOM 230 CG ARG 32 -5.264 -1.325 2.545 1.00 0.00 ATOM 231 CD ARG 32 -5.201 0.134 2.126 1.00 0.00 ATOM 232 NE ARG 32 -6.323 0.906 2.655 1.00 0.00 ATOM 233 CZ ARG 32 -6.536 2.192 2.392 1.00 0.00 ATOM 234 NH1 ARG 32 -7.584 2.812 2.918 1.00 0.00 ATOM 235 NH2 ARG 32 -5.700 2.854 1.603 1.00 0.00 ATOM 236 O ARG 32 -2.706 -3.601 4.025 1.00 0.00 ATOM 237 C ARG 32 -2.655 -2.396 3.803 1.00 0.00 ATOM 238 N PHE 33 -2.473 -1.488 4.758 1.00 0.00 ATOM 239 CA PHE 33 -2.347 -1.858 6.169 1.00 0.00 ATOM 240 CB PHE 33 -0.888 -1.725 6.612 1.00 0.00 ATOM 241 CG PHE 33 -0.609 -2.315 7.965 1.00 0.00 ATOM 242 CD1 PHE 33 -0.585 -3.688 8.145 1.00 0.00 ATOM 243 CD2 PHE 33 -0.373 -1.499 9.056 1.00 0.00 ATOM 244 CE1 PHE 33 -0.327 -4.230 9.388 1.00 0.00 ATOM 245 CE2 PHE 33 -0.114 -2.043 10.301 1.00 0.00 ATOM 246 CZ PHE 33 -0.092 -3.402 10.469 1.00 0.00 ATOM 247 O PHE 33 -3.005 0.280 7.045 1.00 0.00 ATOM 248 C PHE 33 -3.215 -0.937 7.017 1.00 0.00 ATOM 249 N PHE 34 -4.307 -1.624 7.774 1.00 0.00 ATOM 250 CA PHE 34 -5.225 -0.851 8.611 1.00 0.00 ATOM 251 CB PHE 34 -6.199 -0.054 7.743 1.00 0.00 ATOM 252 CG PHE 34 -5.568 1.110 7.035 1.00 0.00 ATOM 253 CD1 PHE 34 -5.218 1.018 5.699 1.00 0.00 ATOM 254 CD2 PHE 34 -5.323 2.296 7.704 1.00 0.00 ATOM 255 CE1 PHE 34 -4.638 2.090 5.047 1.00 0.00 ATOM 256 CE2 PHE 34 -4.741 3.368 7.053 1.00 0.00 ATOM 257 CZ PHE 34 -4.400 3.267 5.730 1.00 0.00 ATOM 258 O PHE 34 -6.399 -2.866 9.178 1.00 0.00 ATOM 259 C PHE 34 -6.065 -1.737 9.525 1.00 0.00 ATOM 260 N ALA 35 -6.374 -1.232 10.712 1.00 0.00 ATOM 261 CA ALA 35 -7.210 -1.979 11.638 1.00 0.00 ATOM 262 CB ALA 35 -7.189 -1.328 13.013 1.00 0.00 ATOM 263 O ALA 35 -9.497 -2.697 11.745 1.00 0.00 ATOM 264 C ALA 35 -8.662 -1.970 11.183 1.00 0.00 ATOM 265 N THR 36 -8.953 -1.103 10.126 1.00 0.00 ATOM 266 CA THR 36 -10.315 -1.035 9.612 1.00 0.00 ATOM 267 CB THR 36 -10.580 0.494 9.267 1.00 0.00 ATOM 268 CG2 THR 36 -11.885 0.678 8.485 1.00 0.00 ATOM 269 OG1 THR 36 -10.686 1.231 10.497 1.00 0.00 ATOM 270 O THR 36 -11.890 -2.475 8.508 1.00 0.00 ATOM 271 C THR 36 -10.704 -2.194 8.689 1.00 0.00 ATOM 272 N ARG 37 -9.709 -2.858 8.108 1.00 0.00 ATOM 273 CA ARG 37 -9.935 -3.992 7.218 1.00 0.00 ATOM 274 CB ARG 37 -9.572 -5.306 7.692 1.00 0.00 ATOM 275 CG ARG 37 -10.179 -5.779 8.999 1.00 0.00 ATOM 276 CD ARG 37 -9.690 -7.187 9.329 1.00 0.00 ATOM 277 NE ARG 37 -10.237 -7.686 10.585 1.00 0.00 ATOM 278 CZ ARG 37 -9.924 -7.200 11.782 1.00 0.00 ATOM 279 NH1 ARG 37 -9.061 -6.199 11.889 1.00 0.00 ATOM 280 NH2 ARG 37 -10.475 -7.715 12.873 1.00 0.00 ATOM 281 O ARG 37 -11.979 -4.297 6.000 1.00 0.00 ATOM 282 C ARG 37 -10.957 -3.626 6.147 1.00 0.00 ATOM 283 N GLU 38 -10.679 -2.561 5.401 1.00 0.00 ATOM 284 CA GLU 38 -11.591 -2.115 4.333 1.00 0.00 ATOM 285 CB GLU 38 -11.130 -0.947 3.559 1.00 0.00 ATOM 286 CG GLU 38 -11.412 0.375 4.279 1.00 0.00 ATOM 287 CD GLU 38 -12.830 0.494 4.857 1.00 0.00 ATOM 288 OE1 GLU 38 -13.814 0.139 4.157 1.00 0.00 ATOM 289 OE2 GLU 38 -12.965 0.953 6.024 1.00 0.00 ATOM 290 O GLU 38 -12.957 -3.515 2.928 1.00 0.00 ATOM 291 C GLU 38 -11.821 -3.231 3.316 1.00 0.00 ATOM 292 N GLU 39 -10.515 -3.688 2.852 1.00 0.00 ATOM 293 CA GLU 39 -10.460 -4.819 1.934 1.00 0.00 ATOM 294 CB GLU 39 -9.022 -5.203 1.642 1.00 0.00 ATOM 295 CG GLU 39 -8.851 -6.329 0.577 1.00 0.00 ATOM 296 CD GLU 39 -9.476 -5.977 -0.783 1.00 0.00 ATOM 297 OE1 GLU 39 -9.746 -4.770 -1.010 1.00 0.00 ATOM 298 OE2 GLU 39 -9.682 -6.908 -1.613 1.00 0.00 ATOM 299 O GLU 39 -11.932 -6.716 1.938 1.00 0.00 ATOM 300 C GLU 39 -11.112 -6.044 2.568 1.00 0.00 ATOM 301 N ALA 40 -10.775 -6.289 3.831 1.00 0.00 ATOM 302 CA ALA 40 -11.363 -7.377 4.594 1.00 0.00 ATOM 303 CB ALA 40 -10.739 -7.388 5.956 1.00 0.00 ATOM 304 O ALA 40 -13.598 -8.236 4.483 1.00 0.00 ATOM 305 C ALA 40 -12.878 -7.248 4.641 1.00 0.00 ATOM 306 N GLU 41 -13.363 -6.039 4.900 1.00 0.00 ATOM 307 CA GLU 41 -14.800 -5.798 4.967 1.00 0.00 ATOM 308 CB GLU 41 -15.069 -4.365 5.430 1.00 0.00 ATOM 309 CG GLU 41 -14.660 -4.191 6.892 1.00 0.00 ATOM 310 CD GLU 41 -15.312 -3.071 7.647 1.00 0.00 ATOM 311 OE1 GLU 41 -16.342 -2.540 7.152 1.00 0.00 ATOM 312 OE2 GLU 41 -14.878 -2.700 8.760 1.00 0.00 ATOM 313 O GLU 41 -16.558 -6.589 3.548 1.00 0.00 ATOM 314 C GLU 41 -15.463 -6.035 3.618 1.00 0.00 ATOM 315 N SER 42 -12.974 -4.364 0.498 1.00 0.00 ATOM 316 CA SER 42 -13.751 -3.945 -0.667 1.00 0.00 ATOM 317 CB SER 42 -15.248 -3.992 -0.357 1.00 0.00 ATOM 318 OG SER 42 -15.592 -3.048 0.643 1.00 0.00 ATOM 319 O SER 42 -13.242 -2.310 -2.328 1.00 0.00 ATOM 320 C SER 42 -13.400 -2.543 -1.131 1.00 0.00 ATOM 321 N PHE 43 -13.280 -1.609 -0.192 1.00 0.00 ATOM 322 CA PHE 43 -12.938 -0.236 -0.543 1.00 0.00 ATOM 323 CB PHE 43 -12.898 0.642 0.710 1.00 0.00 ATOM 324 CG PHE 43 -12.563 2.080 0.431 1.00 0.00 ATOM 325 CD1 PHE 43 -13.521 2.946 -0.066 1.00 0.00 ATOM 326 CD2 PHE 43 -11.289 2.566 0.665 1.00 0.00 ATOM 327 CE1 PHE 43 -13.212 4.269 -0.322 1.00 0.00 ATOM 328 CE2 PHE 43 -10.979 3.889 0.409 1.00 0.00 ATOM 329 CZ PHE 43 -11.934 4.739 -0.082 1.00 0.00 ATOM 330 O PHE 43 -11.385 0.499 -2.242 1.00 0.00 ATOM 331 C PHE 43 -11.567 -0.173 -1.227 1.00 0.00 ATOM 332 N MET 44 -10.579 -0.855 -0.703 1.00 0.00 ATOM 333 CA MET 44 -9.210 -0.771 -1.191 1.00 0.00 ATOM 334 CB MET 44 -8.286 -1.645 -0.340 1.00 0.00 ATOM 335 CG MET 44 -6.837 -1.641 -0.794 1.00 0.00 ATOM 336 SD MET 44 -6.542 -2.739 -2.192 1.00 0.00 ATOM 337 CE MET 44 -6.659 -4.340 -1.397 1.00 0.00 ATOM 338 O MET 44 -8.685 -0.577 -3.531 1.00 0.00 ATOM 339 C MET 44 -9.167 -1.276 -2.640 1.00 0.00 ATOM 340 N THR 45 -9.571 -2.501 -2.912 1.00 0.00 ATOM 341 CA THR 45 -9.538 -3.067 -4.263 1.00 0.00 ATOM 342 CB THR 45 -10.061 -4.515 -4.281 1.00 0.00 ATOM 343 CG2 THR 45 -10.053 -5.066 -5.698 1.00 0.00 ATOM 344 OG1 THR 45 -9.223 -5.338 -3.459 1.00 0.00 ATOM 345 O THR 45 -10.010 -2.060 -6.389 1.00 0.00 ATOM 346 C THR 45 -10.385 -2.247 -5.231 1.00 0.00 ATOM 347 N LYS 46 -11.526 -1.758 -4.754 1.00 0.00 ATOM 348 CA LYS 46 -12.398 -0.969 -5.583 1.00 0.00 ATOM 349 CB LYS 46 -13.688 -0.603 -4.847 1.00 0.00 ATOM 350 CG LYS 46 -14.676 0.193 -5.683 1.00 0.00 ATOM 351 CD LYS 46 -15.963 0.453 -4.918 1.00 0.00 ATOM 352 CE LYS 46 -16.940 1.276 -5.743 1.00 0.00 ATOM 353 NZ LYS 46 -18.199 1.551 -5.000 1.00 0.00 ATOM 354 O LYS 46 -11.808 0.733 -7.168 1.00 0.00 ATOM 355 C LYS 46 -11.732 0.337 -6.004 1.00 0.00 ATOM 356 N LEU 47 -11.080 1.003 -5.056 1.00 0.00 ATOM 357 CA LEU 47 -10.409 2.254 -5.347 1.00 0.00 ATOM 358 CB LEU 47 -9.780 2.849 -4.086 1.00 0.00 ATOM 359 CG LEU 47 -9.094 4.207 -4.245 1.00 0.00 ATOM 360 CD1 LEU 47 -10.089 5.263 -4.701 1.00 0.00 ATOM 361 CD2 LEU 47 -8.488 4.662 -2.926 1.00 0.00 ATOM 362 O LEU 47 -9.178 2.918 -7.289 1.00 0.00 ATOM 363 C LEU 47 -9.327 2.083 -6.396 1.00 0.00 ATOM 364 N LYS 48 -8.567 0.998 -6.290 1.00 0.00 ATOM 365 CA LYS 48 -7.497 0.728 -7.243 1.00 0.00 ATOM 366 CB LYS 48 -6.765 -0.544 -6.959 1.00 0.00 ATOM 367 CG LYS 48 -5.842 -0.448 -5.755 1.00 0.00 ATOM 368 CD LYS 48 -4.806 0.649 -5.955 1.00 0.00 ATOM 369 CE LYS 48 -3.824 0.709 -4.799 1.00 0.00 ATOM 370 NZ LYS 48 -2.980 -0.510 -4.749 1.00 0.00 ATOM 371 O LYS 48 -7.567 1.086 -9.619 1.00 0.00 ATOM 372 C LYS 48 -8.075 0.527 -8.642 1.00 0.00 ATOM 373 N GLU 49 -9.145 -0.255 -8.740 1.00 0.00 ATOM 374 CA GLU 49 -9.788 -0.494 -10.031 1.00 0.00 ATOM 375 CB GLU 49 -10.943 -1.487 -9.879 1.00 0.00 ATOM 376 CG GLU 49 -10.502 -2.911 -9.591 1.00 0.00 ATOM 377 CD GLU 49 -11.670 -3.841 -9.325 1.00 0.00 ATOM 378 OE1 GLU 49 -12.820 -3.355 -9.291 1.00 0.00 ATOM 379 OE2 GLU 49 -11.435 -5.055 -9.149 1.00 0.00 ATOM 380 O GLU 49 -10.205 1.102 -11.783 1.00 0.00 ATOM 381 C GLU 49 -10.347 0.815 -10.592 1.00 0.00 ATOM 382 N LEU 50 -10.976 1.597 -9.735 1.00 0.00 ATOM 383 CA LEU 50 -11.526 2.884 -10.155 1.00 0.00 ATOM 384 CB LEU 50 -12.312 3.551 -9.024 1.00 0.00 ATOM 385 CG LEU 50 -13.623 2.876 -8.619 1.00 0.00 ATOM 386 CD1 LEU 50 -14.211 3.541 -7.384 1.00 0.00 ATOM 387 CD2 LEU 50 -14.646 2.967 -9.740 1.00 0.00 ATOM 388 O LEU 50 -10.639 4.580 -11.601 1.00 0.00 ATOM 389 C LEU 50 -10.440 3.838 -10.638 1.00 0.00 ATOM 390 N ALA 51 -9.293 3.821 -9.966 1.00 0.00 ATOM 391 CA ALA 51 -8.184 4.689 -10.342 1.00 0.00 ATOM 392 CB ALA 51 -7.043 4.552 -9.346 1.00 0.00 ATOM 393 O ALA 51 -7.352 5.246 -12.520 1.00 0.00 ATOM 394 C ALA 51 -7.654 4.352 -11.729 1.00 0.00 ATOM 395 N ALA 52 -7.542 3.061 -12.023 1.00 0.00 ATOM 396 CA ALA 52 -7.048 2.622 -13.323 1.00 0.00 ATOM 397 CB ALA 52 -6.864 1.112 -13.366 1.00 0.00 ATOM 398 O ALA 52 -7.582 3.534 -15.458 1.00 0.00 ATOM 399 C ALA 52 -7.953 3.066 -14.413 1.00 0.00 ATOM 400 N ALA 53 -9.271 2.931 -14.139 1.00 0.00 ATOM 401 CA ALA 53 -10.239 3.271 -15.169 1.00 0.00 ATOM 402 CB ALA 53 -11.600 2.743 -14.723 1.00 0.00 ATOM 403 O ALA 53 -10.357 5.196 -16.594 1.00 0.00 ATOM 404 C ALA 53 -10.283 4.770 -15.441 1.00 0.00 ATOM 405 N ALA 54 -10.237 5.569 -14.380 1.00 0.00 ATOM 406 CA ALA 54 -10.270 7.024 -14.522 1.00 0.00 ATOM 407 CB ALA 54 -10.244 7.692 -13.157 1.00 0.00 ATOM 408 O ALA 54 -9.216 8.189 -16.331 1.00 0.00 ATOM 409 C ALA 54 -9.067 7.501 -15.320 1.00 0.00 ATOM 410 N SER 55 -7.872 7.138 -14.865 1.00 0.00 ATOM 411 CA SER 55 -6.650 7.537 -15.552 1.00 0.00 ATOM 412 CB SER 55 -5.445 7.044 -14.789 1.00 0.00 ATOM 413 OG SER 55 -5.362 5.643 -14.700 1.00 0.00 ATOM 414 O SER 55 -6.000 7.448 -17.867 1.00 0.00 ATOM 415 C SER 55 -6.514 6.852 -16.915 1.00 0.00 ATOM 416 N SER 56 -7.032 5.564 -16.991 1.00 0.00 ATOM 417 CA SER 56 -6.885 4.785 -18.216 1.00 0.00 ATOM 418 CB SER 56 -5.536 4.099 -18.213 1.00 0.00 ATOM 419 OG SER 56 -5.455 3.176 -17.131 1.00 0.00 ATOM 420 O SER 56 -8.558 3.329 -17.298 1.00 0.00 ATOM 421 C SER 56 -7.943 3.687 -18.302 1.00 0.00 ATOM 422 N ALA 57 -8.152 3.156 -19.504 1.00 0.00 ATOM 423 CA ALA 57 -9.137 2.099 -19.702 1.00 0.00 ATOM 424 CB ALA 57 -9.765 2.256 -21.078 1.00 0.00 ATOM 425 O ALA 57 -9.283 -0.291 -19.571 1.00 0.00 ATOM 426 C ALA 57 -8.553 0.695 -19.634 1.00 0.00 ATOM 427 N ASP 58 -7.155 0.573 -19.657 1.00 0.00 ATOM 428 CA ASP 58 -6.491 -0.715 -19.542 1.00 0.00 ATOM 429 CB ASP 58 -5.085 -0.657 -20.139 1.00 0.00 ATOM 430 CG ASP 58 -5.096 -0.607 -21.655 1.00 0.00 ATOM 431 OD1 ASP 58 -6.174 -0.829 -22.248 1.00 0.00 ATOM 432 OD2 ASP 58 -4.030 -0.345 -22.249 1.00 0.00 ATOM 433 O ASP 58 -6.599 -0.214 -17.201 1.00 0.00 ATOM 434 C ASP 58 -6.399 -1.067 -18.063 1.00 0.00 ATOM 435 N GLU 59 -6.165 -2.346 -17.769 1.00 0.00 ATOM 436 CA GLU 59 -6.027 -2.798 -16.401 1.00 0.00 ATOM 437 CB GLU 59 -7.155 -3.765 -16.041 1.00 0.00 ATOM 438 CG GLU 59 -8.540 -3.138 -16.054 1.00 0.00 ATOM 439 CD GLU 59 -9.626 -4.112 -15.642 1.00 0.00 ATOM 440 OE1 GLU 59 -9.302 -5.292 -15.389 1.00 0.00 ATOM 441 OE2 GLU 59 -10.801 -3.697 -15.572 1.00 0.00 ATOM 442 O GLU 59 -4.225 -4.200 -17.150 1.00 0.00 ATOM 443 C GLU 59 -4.701 -3.558 -16.214 1.00 0.00 ATOM 444 N GLY 60 -4.191 -3.419 -15.012 1.00 0.00 ATOM 445 CA GLY 60 -3.000 -4.213 -14.650 1.00 0.00 ATOM 446 O GLY 60 -4.690 -5.800 -14.060 1.00 0.00 ATOM 447 C GLY 60 -3.485 -5.564 -14.163 1.00 0.00 ATOM 448 N ALA 61 -2.590 -6.437 -13.887 1.00 0.00 ATOM 449 CA ALA 61 -2.924 -7.770 -13.403 1.00 0.00 ATOM 450 CB ALA 61 -2.081 -8.816 -14.115 1.00 0.00 ATOM 451 O ALA 61 -1.598 -7.127 -11.559 1.00 0.00 ATOM 452 C ALA 61 -2.621 -7.733 -11.909 1.00 0.00 ATOM 453 N SER 62 -4.509 -6.791 -11.585 1.00 0.00 ATOM 454 CA SER 62 -4.280 -6.779 -10.152 1.00 0.00 ATOM 455 CB SER 62 -5.315 -5.896 -9.451 1.00 0.00 ATOM 456 OG SER 62 -5.099 -5.870 -8.051 1.00 0.00 ATOM 457 O SER 62 -5.437 -8.810 -9.628 1.00 0.00 ATOM 458 C SER 62 -4.382 -8.177 -9.565 1.00 0.00 ATOM 459 N VAL 63 -3.292 -8.651 -8.970 1.00 0.00 ATOM 460 CA VAL 63 -3.277 -9.980 -8.370 1.00 0.00 ATOM 461 CB VAL 63 -2.252 -10.909 -9.044 1.00 0.00 ATOM 462 CG1 VAL 63 -2.610 -11.125 -10.507 1.00 0.00 ATOM 463 CG2 VAL 63 -0.858 -10.305 -8.975 1.00 0.00 ATOM 464 O VAL 63 -1.948 -9.215 -6.514 1.00 0.00 ATOM 465 C VAL 63 -2.907 -9.895 -6.897 1.00 0.00 ATOM 466 N ALA 64 -3.654 -10.609 -6.067 1.00 0.00 ATOM 467 CA ALA 64 -3.373 -10.602 -4.645 1.00 0.00 ATOM 468 CB ALA 64 -4.601 -11.017 -3.833 1.00 0.00 ATOM 469 O ALA 64 -2.013 -12.573 -4.779 1.00 0.00 ATOM 470 C ALA 64 -2.124 -11.422 -4.360 1.00 0.00 ATOM 471 N TYR 65 -1.192 -10.826 -3.632 1.00 0.00 ATOM 472 CA TYR 65 0.035 -11.518 -3.274 1.00 0.00 ATOM 473 CB TYR 65 0.978 -10.366 -2.534 1.00 0.00 ATOM 474 CG TYR 65 2.424 -10.718 -2.319 1.00 0.00 ATOM 475 CD1 TYR 65 3.373 -10.494 -3.312 1.00 0.00 ATOM 476 CD2 TYR 65 2.830 -11.342 -1.140 1.00 0.00 ATOM 477 CE1 TYR 65 4.677 -10.847 -3.130 1.00 0.00 ATOM 478 CE2 TYR 65 4.145 -11.702 -0.956 1.00 0.00 ATOM 479 CZ TYR 65 5.056 -11.459 -1.955 1.00 0.00 ATOM 480 OH TYR 65 6.370 -11.823 -1.788 1.00 0.00 ATOM 481 O TYR 65 0.107 -13.436 -1.839 1.00 0.00 ATOM 482 C TYR 65 -0.210 -12.254 -1.967 1.00 0.00 ATOM 483 N LYS 66 -0.822 -11.559 -1.012 1.00 0.00 ATOM 484 CA LYS 66 -1.097 -12.142 0.295 1.00 0.00 ATOM 485 CB LYS 66 0.211 -12.394 1.046 1.00 0.00 ATOM 486 CG LYS 66 0.976 -11.129 1.403 1.00 0.00 ATOM 487 CD LYS 66 2.251 -11.452 2.166 1.00 0.00 ATOM 488 CE LYS 66 3.057 -10.194 2.449 1.00 0.00 ATOM 489 NZ LYS 66 4.347 -10.504 3.125 1.00 0.00 ATOM 490 O LYS 66 -2.078 -10.020 0.852 1.00 0.00 ATOM 491 C LYS 66 -1.954 -11.212 1.140 1.00 0.00 ATOM 492 N ILE 67 -2.560 -11.767 2.182 1.00 0.00 ATOM 493 CA ILE 67 -3.367 -10.972 3.087 1.00 0.00 ATOM 494 CB ILE 67 -4.856 -11.004 2.691 1.00 0.00 ATOM 495 CG1 ILE 67 -5.376 -12.443 2.689 1.00 0.00 ATOM 496 CG2 ILE 67 -5.049 -10.419 1.301 1.00 0.00 ATOM 497 CD1 ILE 67 -6.873 -12.550 2.498 1.00 0.00 ATOM 498 O ILE 67 -2.858 -12.749 4.610 1.00 0.00 ATOM 499 C ILE 67 -3.200 -11.567 4.474 1.00 0.00 ATOM 500 N LYS 68 -3.492 -10.768 5.495 1.00 0.00 ATOM 501 CA LYS 68 -3.369 -11.245 6.859 1.00 0.00 ATOM 502 CB LYS 68 -1.902 -11.513 7.199 1.00 0.00 ATOM 503 CG LYS 68 -1.021 -10.274 7.167 1.00 0.00 ATOM 504 CD LYS 68 0.410 -10.603 7.560 1.00 0.00 ATOM 505 CE LYS 68 1.301 -9.374 7.480 1.00 0.00 ATOM 506 NZ LYS 68 2.707 -9.681 7.861 1.00 0.00 ATOM 507 O LYS 68 -4.339 -9.162 7.554 1.00 0.00 ATOM 508 C LYS 68 -3.909 -10.272 7.887 1.00 0.00 ATOM 509 N ASP 69 -3.898 -10.696 9.145 1.00 0.00 ATOM 510 CA ASP 69 -4.373 -9.869 10.241 1.00 0.00 ATOM 511 CB ASP 69 -5.723 -10.380 10.727 1.00 0.00 ATOM 512 CG ASP 69 -6.275 -9.526 11.859 1.00 0.00 ATOM 513 OD1 ASP 69 -5.480 -9.061 12.706 1.00 0.00 ATOM 514 OD2 ASP 69 -7.508 -9.333 11.908 1.00 0.00 ATOM 515 O ASP 69 -3.358 -11.331 11.845 1.00 0.00 ATOM 516 C ASP 69 -3.553 -10.168 11.491 1.00 0.00 ATOM 517 N LEU 70 -3.066 -9.119 12.146 1.00 0.00 ATOM 518 CA LEU 70 -2.282 -9.273 13.369 1.00 0.00 ATOM 519 CB LEU 70 -0.802 -9.468 13.034 1.00 0.00 ATOM 520 CG LEU 70 0.153 -9.582 14.225 1.00 0.00 ATOM 521 CD1 LEU 70 -0.119 -10.856 15.011 1.00 0.00 ATOM 522 CD2 LEU 70 1.598 -9.614 13.753 1.00 0.00 ATOM 523 O LEU 70 -2.275 -6.910 13.796 1.00 0.00 ATOM 524 C LEU 70 -2.408 -8.043 14.258 1.00 0.00 ATOM 525 N GLU 71 -2.660 -8.276 15.543 1.00 0.00 ATOM 526 CA GLU 71 -2.808 -7.196 16.507 1.00 0.00 ATOM 527 CB GLU 71 -1.578 -6.761 17.284 1.00 0.00 ATOM 528 CG GLU 71 -1.115 -7.907 18.177 1.00 0.00 ATOM 529 CD GLU 71 -2.070 -8.288 19.282 1.00 0.00 ATOM 530 OE1 GLU 71 -2.987 -7.543 19.576 1.00 0.00 ATOM 531 OE2 GLU 71 -1.779 -9.310 19.946 1.00 0.00 ATOM 532 O GLU 71 -3.683 -4.966 16.352 1.00 0.00 ATOM 533 C GLU 71 -3.839 -6.159 16.083 1.00 0.00 ATOM 534 N GLY 72 -4.888 -6.615 15.410 1.00 0.00 ATOM 535 CA GLY 72 -5.934 -5.702 14.982 1.00 0.00 ATOM 536 O GLY 72 -6.707 -4.431 13.100 1.00 0.00 ATOM 537 C GLY 72 -5.769 -5.037 13.621 1.00 0.00 ATOM 538 N GLN 73 -4.508 -5.155 13.030 1.00 0.00 ATOM 539 CA GLN 73 -4.261 -4.576 11.709 1.00 0.00 ATOM 540 CB GLN 73 -2.833 -4.038 11.617 1.00 0.00 ATOM 541 CG GLN 73 -2.536 -2.897 12.579 1.00 0.00 ATOM 542 CD GLN 73 -3.385 -1.671 12.308 1.00 0.00 ATOM 543 OE1 GLN 73 -3.418 -1.162 11.187 1.00 0.00 ATOM 544 NE2 GLN 73 -4.077 -1.193 13.336 1.00 0.00 ATOM 545 O GLN 73 -3.883 -6.705 10.671 1.00 0.00 ATOM 546 C GLN 73 -4.445 -5.611 10.605 1.00 0.00 ATOM 547 N VAL 74 -5.174 -5.342 9.605 1.00 0.00 ATOM 548 CA VAL 74 -5.376 -6.254 8.489 1.00 0.00 ATOM 549 CB VAL 74 -6.818 -6.228 7.934 1.00 0.00 ATOM 550 CG1 VAL 74 -7.206 -4.918 7.248 1.00 0.00 ATOM 551 CG2 VAL 74 -7.023 -7.401 6.971 1.00 0.00 ATOM 552 O VAL 74 -4.329 -4.498 7.255 1.00 0.00 ATOM 553 C VAL 74 -4.502 -5.711 7.373 1.00 0.00 ATOM 554 N GLU 75 -3.926 -6.604 6.579 1.00 0.00 ATOM 555 CA GLU 75 -3.057 -6.201 5.477 1.00 0.00 ATOM 556 CB GLU 75 -1.597 -6.500 5.817 1.00 0.00 ATOM 557 CG GLU 75 -0.616 -6.136 4.715 1.00 0.00 ATOM 558 CD GLU 75 0.826 -6.398 5.107 1.00 0.00 ATOM 559 OE1 GLU 75 1.053 -6.920 6.218 1.00 0.00 ATOM 560 OE2 GLU 75 1.728 -6.079 4.303 1.00 0.00 ATOM 561 O GLU 75 -3.764 -8.138 4.246 1.00 0.00 ATOM 562 C GLU 75 -3.420 -6.955 4.205 1.00 0.00 ATOM 563 N LEU 76 -3.330 -6.267 3.073 1.00 0.00 ATOM 564 CA LEU 76 -3.625 -6.880 1.793 1.00 0.00 ATOM 565 CB LEU 76 -5.057 -6.556 1.362 1.00 0.00 ATOM 566 CG LEU 76 -5.638 -7.417 0.238 1.00 0.00 ATOM 567 CD1 LEU 76 -7.108 -7.094 0.020 1.00 0.00 ATOM 568 CD2 LEU 76 -4.898 -7.170 -1.067 1.00 0.00 ATOM 569 O LEU 76 -2.614 -5.139 0.487 1.00 0.00 ATOM 570 C LEU 76 -2.614 -6.333 0.791 1.00 0.00 ATOM 571 N ASP 77 -1.751 -7.205 0.280 1.00 0.00 ATOM 572 CA ASP 77 -0.745 -6.794 -0.685 1.00 0.00 ATOM 573 CB ASP 77 0.618 -7.384 -0.324 1.00 0.00 ATOM 574 CG ASP 77 1.723 -6.905 -1.245 1.00 0.00 ATOM 575 OD1 ASP 77 1.414 -6.191 -2.222 1.00 0.00 ATOM 576 OD2 ASP 77 2.898 -7.244 -0.990 1.00 0.00 ATOM 577 O ASP 77 -1.395 -8.467 -2.256 1.00 0.00 ATOM 578 C ASP 77 -1.129 -7.281 -2.058 1.00 0.00 ATOM 579 N ALA 78 -1.158 -6.365 -3.021 1.00 0.00 ATOM 580 CA ALA 78 -1.512 -6.719 -4.391 1.00 0.00 ATOM 581 CB ALA 78 -2.826 -6.073 -4.801 1.00 0.00 ATOM 582 O ALA 78 0.131 -5.213 -5.162 1.00 0.00 ATOM 583 C ALA 78 -0.486 -6.256 -5.388 1.00 0.00 ATOM 584 N ALA 79 -0.276 -7.028 -6.462 1.00 0.00 ATOM 585 CA ALA 79 0.645 -6.626 -7.523 1.00 0.00 ATOM 586 CB ALA 79 1.372 -7.876 -7.994 1.00 0.00 ATOM 587 O ALA 79 -1.144 -6.581 -9.136 1.00 0.00 ATOM 588 C ALA 79 -0.177 -5.982 -8.646 1.00 0.00 ATOM 589 N PHE 80 0.171 -4.793 -9.004 1.00 0.00 ATOM 590 CA PHE 80 -0.537 -4.061 -10.070 1.00 0.00 ATOM 591 CB PHE 80 -1.004 -2.688 -9.582 1.00 0.00 ATOM 592 CG PHE 80 -2.066 -2.750 -8.523 1.00 0.00 ATOM 593 CD1 PHE 80 -1.726 -2.804 -7.182 1.00 0.00 ATOM 594 CD2 PHE 80 -3.407 -2.754 -8.865 1.00 0.00 ATOM 595 CE1 PHE 80 -2.703 -2.862 -6.207 1.00 0.00 ATOM 596 CE2 PHE 80 -4.385 -2.812 -7.890 1.00 0.00 ATOM 597 CZ PHE 80 -4.037 -2.865 -6.565 1.00 0.00 ATOM 598 O PHE 80 1.459 -3.205 -11.096 1.00 0.00 ATOM 599 C PHE 80 0.437 -3.880 -11.234 1.00 0.00 ATOM 600 N THR 81 0.136 -4.507 -12.366 1.00 0.00 ATOM 601 CA THR 81 0.993 -4.400 -13.540 1.00 0.00 ATOM 602 CB THR 81 1.283 -5.782 -14.154 1.00 0.00 ATOM 603 CG2 THR 81 2.164 -5.645 -15.386 1.00 0.00 ATOM 604 OG1 THR 81 1.955 -6.606 -13.193 1.00 0.00 ATOM 605 O THR 81 -0.803 -3.786 -15.005 1.00 0.00 ATOM 606 C THR 81 0.342 -3.547 -14.622 1.00 0.00 ATOM 607 N PHE 82 1.072 -2.551 -15.114 1.00 0.00 ATOM 608 CA PHE 82 0.550 -1.668 -16.156 1.00 0.00 ATOM 609 CB PHE 82 0.763 -0.490 -16.350 1.00 0.00 ATOM 610 CG PHE 82 -0.573 0.079 -15.990 1.00 0.00 ATOM 611 CD1 PHE 82 -1.684 -0.165 -16.791 1.00 0.00 ATOM 612 CD2 PHE 82 -0.738 0.838 -14.837 1.00 0.00 ATOM 613 CE1 PHE 82 -2.919 0.348 -16.456 1.00 0.00 ATOM 614 CE2 PHE 82 -1.971 1.358 -14.498 1.00 0.00 ATOM 615 CZ PHE 82 -3.068 1.115 -15.311 1.00 0.00 ATOM 616 O PHE 82 2.061 -2.822 -17.616 1.00 0.00 ATOM 617 C PHE 82 1.017 -2.176 -17.513 1.00 0.00 ATOM 618 N SER 83 0.246 -1.884 -18.554 1.00 0.00 ATOM 619 CA SER 83 0.598 -2.317 -19.901 1.00 0.00 ATOM 620 CB SER 83 -0.670 -2.334 -20.758 1.00 0.00 ATOM 621 OG SER 83 -1.605 -3.278 -20.268 1.00 0.00 ATOM 622 O SER 83 2.521 -1.829 -21.244 1.00 0.00 ATOM 623 C SER 83 1.606 -1.386 -20.548 1.00 0.00 ATOM 624 N CYS 84 1.584 0.089 -19.772 1.00 0.00 ATOM 625 CA CYS 84 2.520 1.083 -20.268 1.00 0.00 ATOM 626 CB CYS 84 1.862 1.950 -21.343 1.00 0.00 ATOM 627 SG CYS 84 1.312 1.038 -22.804 1.00 0.00 ATOM 628 O CYS 84 2.305 2.132 -18.128 1.00 0.00 ATOM 629 C CYS 84 2.988 1.983 -19.142 1.00 0.00 ATOM 630 N GLN 85 4.157 2.591 -19.318 1.00 0.00 ATOM 631 CA GLN 85 4.706 3.483 -18.303 1.00 0.00 ATOM 632 CB GLN 85 6.084 4.008 -18.712 1.00 0.00 ATOM 633 CG GLN 85 7.135 2.856 -18.858 1.00 0.00 ATOM 634 CD GLN 85 7.248 2.367 -20.274 1.00 0.00 ATOM 635 OE1 GLN 85 6.375 2.525 -21.080 1.00 0.00 ATOM 636 NE2 GLN 85 8.347 1.726 -20.611 1.00 0.00 ATOM 637 O GLN 85 3.541 5.083 -16.920 1.00 0.00 ATOM 638 C GLN 85 3.758 4.644 -18.041 1.00 0.00 ATOM 639 N ALA 86 3.105 5.126 -19.173 1.00 0.00 ATOM 640 CA ALA 86 2.195 6.277 -19.065 1.00 0.00 ATOM 641 CB ALA 86 1.741 6.748 -20.441 1.00 0.00 ATOM 642 O ALA 86 0.541 6.660 -17.344 1.00 0.00 ATOM 643 C ALA 86 0.969 5.904 -18.247 1.00 0.00 ATOM 644 N GLU 87 0.423 4.698 -18.461 1.00 0.00 ATOM 645 CA GLU 87 -0.666 4.197 -17.622 1.00 0.00 ATOM 646 CB GLU 87 -1.267 2.899 -18.225 1.00 0.00 ATOM 647 CG GLU 87 -2.054 3.174 -19.502 1.00 0.00 ATOM 648 CD GLU 87 -2.479 1.949 -20.285 1.00 0.00 ATOM 649 OE1 GLU 87 -1.854 0.881 -20.142 1.00 0.00 ATOM 650 OE2 GLU 87 -3.438 2.090 -21.071 1.00 0.00 ATOM 651 O GLU 87 -0.932 4.338 -15.241 1.00 0.00 ATOM 652 C GLU 87 -0.198 4.026 -16.180 1.00 0.00 ATOM 653 N MET 88 1.023 3.529 -16.007 1.00 0.00 ATOM 654 CA MET 88 1.581 3.323 -14.663 1.00 0.00 ATOM 655 CB MET 88 2.906 2.612 -14.694 1.00 0.00 ATOM 656 CG MET 88 3.458 2.221 -13.331 1.00 0.00 ATOM 657 SD MET 88 2.440 0.982 -12.466 1.00 0.00 ATOM 658 CE MET 88 2.982 -0.496 -13.281 1.00 0.00 ATOM 659 O MET 88 1.360 4.763 -12.759 1.00 0.00 ATOM 660 C MET 88 1.717 4.650 -13.933 1.00 0.00 ATOM 661 N ILE 89 2.214 5.664 -14.633 1.00 0.00 ATOM 662 CA ILE 89 2.388 6.984 -14.037 1.00 0.00 ATOM 663 CB ILE 89 3.032 7.961 -15.037 1.00 0.00 ATOM 664 CG1 ILE 89 4.478 7.552 -15.326 1.00 0.00 ATOM 665 CG2 ILE 89 3.035 9.374 -14.474 1.00 0.00 ATOM 666 CD1 ILE 89 5.100 8.288 -16.493 1.00 0.00 ATOM 667 O ILE 89 0.854 8.024 -12.513 1.00 0.00 ATOM 668 C ILE 89 1.028 7.544 -13.633 1.00 0.00 ATOM 669 N ILE 90 0.004 7.442 -14.576 1.00 0.00 ATOM 670 CA ILE 90 -1.351 7.895 -14.314 1.00 0.00 ATOM 671 CB ILE 90 -2.313 7.681 -15.432 1.00 0.00 ATOM 672 CG1 ILE 90 -1.779 8.336 -16.704 1.00 0.00 ATOM 673 CG2 ILE 90 -3.659 8.214 -15.007 1.00 0.00 ATOM 674 CD1 ILE 90 -2.485 7.977 -18.005 1.00 0.00 ATOM 675 O ILE 90 -2.510 7.871 -12.203 1.00 0.00 ATOM 676 C ILE 90 -1.922 7.212 -13.061 1.00 0.00 ATOM 677 N PHE 91 -1.766 5.895 -12.976 1.00 0.00 ATOM 678 CA PHE 91 -2.268 5.147 -11.829 1.00 0.00 ATOM 679 CB PHE 91 -1.988 3.655 -12.018 1.00 0.00 ATOM 680 CG PHE 91 -2.488 2.797 -10.891 1.00 0.00 ATOM 681 CD1 PHE 91 -3.827 2.457 -10.802 1.00 0.00 ATOM 682 CD2 PHE 91 -1.620 2.329 -9.920 1.00 0.00 ATOM 683 CE1 PHE 91 -4.287 1.668 -9.765 1.00 0.00 ATOM 684 CE2 PHE 91 -2.080 1.540 -8.884 1.00 0.00 ATOM 685 CZ PHE 91 -3.408 1.209 -8.804 1.00 0.00 ATOM 686 O PHE 91 -2.274 5.761 -9.504 1.00 0.00 ATOM 687 C PHE 91 -1.608 5.602 -10.529 1.00 0.00 ATOM 688 N GLU 92 -0.299 5.827 -10.582 1.00 0.00 ATOM 689 CA GLU 92 0.451 6.312 -9.430 1.00 0.00 ATOM 690 CB GLU 92 1.944 6.384 -9.754 1.00 0.00 ATOM 691 CG GLU 92 2.615 5.026 -9.890 1.00 0.00 ATOM 692 CD GLU 92 4.061 5.133 -10.332 1.00 0.00 ATOM 693 OE1 GLU 92 4.518 6.263 -10.603 1.00 0.00 ATOM 694 OE2 GLU 92 4.739 4.086 -10.407 1.00 0.00 ATOM 695 O GLU 92 -0.263 7.970 -7.850 1.00 0.00 ATOM 696 C GLU 92 -0.050 7.696 -9.031 1.00 0.00 ATOM 697 N LEU 93 -0.274 8.555 -10.020 1.00 0.00 ATOM 698 CA LEU 93 -0.756 9.900 -9.754 1.00 0.00 ATOM 699 CB LEU 93 -0.828 10.722 -11.042 1.00 0.00 ATOM 700 CG LEU 93 0.510 11.082 -11.693 1.00 0.00 ATOM 701 CD1 LEU 93 0.289 11.736 -13.048 1.00 0.00 ATOM 702 CD2 LEU 93 1.287 12.053 -10.818 1.00 0.00 ATOM 703 O LEU 93 -2.393 10.529 -8.078 1.00 0.00 ATOM 704 C LEU 93 -2.109 9.876 -9.089 1.00 0.00 ATOM 705 N SER 94 -3.043 9.068 -9.650 1.00 0.00 ATOM 706 CA SER 94 -4.393 8.965 -9.139 1.00 0.00 ATOM 707 CB SER 94 -5.327 8.268 -10.064 1.00 0.00 ATOM 708 OG SER 94 -4.957 6.915 -10.221 1.00 0.00 ATOM 709 O SER 94 -5.145 8.850 -6.870 1.00 0.00 ATOM 710 C SER 94 -4.421 8.371 -7.737 1.00 0.00 ATOM 711 N LEU 95 -3.618 7.345 -7.500 1.00 0.00 ATOM 712 CA LEU 95 -3.567 6.718 -6.185 1.00 0.00 ATOM 713 CB LEU 95 -2.644 5.497 -6.213 1.00 0.00 ATOM 714 CG LEU 95 -2.692 4.583 -4.988 1.00 0.00 ATOM 715 CD1 LEU 95 -4.092 4.025 -4.787 1.00 0.00 ATOM 716 CD2 LEU 95 -1.733 3.413 -5.152 1.00 0.00 ATOM 717 O LEU 95 -3.361 7.471 -3.926 1.00 0.00 ATOM 718 C LEU 95 -3.066 7.663 -5.098 1.00 0.00 ATOM 719 N ARG 96 -2.325 8.695 -5.492 1.00 0.00 ATOM 720 CA ARG 96 -1.802 9.652 -4.540 1.00 0.00 ATOM 721 CB ARG 96 -0.967 10.717 -5.253 1.00 0.00 ATOM 722 CG ARG 96 0.360 10.207 -5.791 1.00 0.00 ATOM 723 CD ARG 96 1.104 11.295 -6.549 1.00 0.00 ATOM 724 NE ARG 96 2.370 10.814 -7.096 1.00 0.00 ATOM 725 CZ ARG 96 3.177 11.540 -7.861 1.00 0.00 ATOM 726 NH1 ARG 96 4.309 11.018 -8.314 1.00 0.00 ATOM 727 NH2 ARG 96 2.851 12.787 -8.173 1.00 0.00 ATOM 728 O ARG 96 -2.843 10.556 -2.579 1.00 0.00 ATOM 729 C ARG 96 -2.926 10.360 -3.787 1.00 0.00 ATOM 730 N SER 97 -3.999 10.769 -4.589 1.00 0.00 ATOM 731 CA SER 97 -5.134 11.441 -3.993 1.00 0.00 ATOM 732 CB SER 97 -5.592 12.604 -4.876 1.00 0.00 ATOM 733 OG SER 97 -6.035 12.139 -6.141 1.00 0.00 ATOM 734 O SER 97 -7.351 10.988 -3.207 1.00 0.00 ATOM 735 C SER 97 -6.333 10.543 -3.734 1.00 0.00 ATOM 736 N LEU 98 -6.177 9.258 -4.136 1.00 0.00 ATOM 737 CA LEU 98 -7.254 8.298 -3.955 1.00 0.00 ATOM 738 CB LEU 98 -7.293 7.363 -5.198 1.00 0.00 ATOM 739 CG LEU 98 -7.702 8.013 -6.521 1.00 0.00 ATOM 740 CD1 LEU 98 -7.561 7.009 -7.654 1.00 0.00 ATOM 741 CD2 LEU 98 -9.135 8.511 -6.425 1.00 0.00 ATOM 742 O LEU 98 -8.092 6.937 -2.196 1.00 0.00 ATOM 743 C LEU 98 -7.120 7.491 -2.686 1.00 0.00 ATOM 744 N ALA 99 -5.909 7.389 -2.157 1.00 0.00 ATOM 745 CA ALA 99 -5.742 6.612 -0.943 1.00 0.00 ATOM 746 CB ALA 99 -6.014 5.142 -1.223 1.00 0.00 ATOM 747 O ALA 99 -3.431 7.096 -1.112 1.00 0.00 ATOM 748 C ALA 99 -4.339 6.723 -0.392 1.00 0.00 TER END