PFRMAT TS TARGET T0408 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 T0408 model 5 Mon May 19 11:45:28 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 14.891 23.405 7.896 1.00 0.00 ATOM 2 CA MET 1 14.388 24.476 8.769 1.00 0.00 ATOM 3 CB MET 1 13.619 25.517 7.952 1.00 0.00 ATOM 4 CG MET 1 14.495 26.366 7.046 1.00 0.00 ATOM 5 SD MET 1 13.548 27.546 6.067 1.00 0.00 ATOM 6 CE MET 1 14.854 28.336 5.130 1.00 0.00 ATOM 7 O MET 1 12.558 23.141 9.540 1.00 0.00 ATOM 8 C MET 1 13.447 23.922 9.837 1.00 0.00 ATOM 9 N LYS 2 13.668 24.312 11.085 1.00 0.00 ATOM 10 CA LYS 2 12.808 23.895 12.192 1.00 0.00 ATOM 11 CB LYS 2 13.619 23.773 13.484 1.00 0.00 ATOM 12 CG LYS 2 14.667 22.671 13.457 1.00 0.00 ATOM 13 CD LYS 2 15.376 22.552 14.798 1.00 0.00 ATOM 14 CE LYS 2 16.466 21.495 14.751 1.00 0.00 ATOM 15 NZ LYS 2 17.170 21.366 16.058 1.00 0.00 ATOM 16 O LYS 2 11.703 26.001 11.826 1.00 0.00 ATOM 17 C LYS 2 11.696 24.918 12.411 1.00 0.00 ATOM 18 N ASN 3 10.750 24.584 13.277 1.00 0.00 ATOM 19 CA ASN 3 9.561 25.427 13.446 1.00 0.00 ATOM 20 CB ASN 3 8.580 24.779 14.427 1.00 0.00 ATOM 21 CG ASN 3 7.869 23.579 13.833 1.00 0.00 ATOM 22 ND2 ASN 3 7.329 22.726 14.695 1.00 0.00 ATOM 23 OD1 ASN 3 7.808 23.423 12.614 1.00 0.00 ATOM 24 O ASN 3 9.374 27.808 13.589 1.00 0.00 ATOM 25 C ASN 3 9.944 26.794 13.987 1.00 0.00 ATOM 26 N GLU 4 10.939 26.833 14.864 1.00 0.00 ATOM 27 CA GLU 4 11.379 28.100 15.414 1.00 0.00 ATOM 28 CB GLU 4 12.579 27.894 16.340 1.00 0.00 ATOM 29 CG GLU 4 13.080 29.169 17.000 1.00 0.00 ATOM 30 CD GLU 4 14.248 28.920 17.935 1.00 0.00 ATOM 31 OE1 GLU 4 14.655 27.749 18.078 1.00 0.00 ATOM 32 OE2 GLU 4 14.754 29.898 18.525 1.00 0.00 ATOM 33 O GLU 4 11.391 30.219 14.336 1.00 0.00 ATOM 34 C GLU 4 11.799 29.077 14.314 1.00 0.00 ATOM 35 N VAL 5 12.596 28.633 13.344 1.00 0.00 ATOM 36 CA VAL 5 13.027 29.483 12.223 1.00 0.00 ATOM 37 CB VAL 5 14.057 28.762 11.333 1.00 0.00 ATOM 38 CG1 VAL 5 14.345 29.581 10.084 1.00 0.00 ATOM 39 CG2 VAL 5 15.362 28.560 12.086 1.00 0.00 ATOM 40 O VAL 5 11.687 31.011 10.917 1.00 0.00 ATOM 41 C VAL 5 11.835 29.864 11.347 1.00 0.00 ATOM 42 N PHE 6 10.986 28.883 11.073 1.00 0.00 ATOM 43 CA PHE 6 9.831 29.115 10.227 1.00 0.00 ATOM 44 CB PHE 6 9.045 27.817 10.024 1.00 0.00 ATOM 45 CG PHE 6 9.779 26.784 9.216 1.00 0.00 ATOM 46 CD1 PHE 6 10.879 27.135 8.453 1.00 0.00 ATOM 47 CD2 PHE 6 9.369 25.463 9.220 1.00 0.00 ATOM 48 CE1 PHE 6 11.553 26.185 7.708 1.00 0.00 ATOM 49 CE2 PHE 6 10.044 24.513 8.476 1.00 0.00 ATOM 50 CZ PHE 6 11.131 24.870 7.723 1.00 0.00 ATOM 51 O PHE 6 8.229 30.906 10.088 1.00 0.00 ATOM 52 C PHE 6 8.860 30.157 10.833 1.00 0.00 ATOM 53 N PHE 7 7.045 31.279 4.390 1.00 0.00 ATOM 54 CA PHE 7 7.259 29.865 4.667 1.00 0.00 ATOM 55 CB PHE 7 8.674 29.631 5.197 1.00 0.00 ATOM 56 CG PHE 7 9.730 29.634 4.128 1.00 0.00 ATOM 57 CD1 PHE 7 10.526 30.748 3.925 1.00 0.00 ATOM 58 CD2 PHE 7 9.925 28.524 3.324 1.00 0.00 ATOM 59 CE1 PHE 7 11.497 30.750 2.942 1.00 0.00 ATOM 60 CE2 PHE 7 10.896 28.528 2.340 1.00 0.00 ATOM 61 CZ PHE 7 11.680 29.635 2.148 1.00 0.00 ATOM 62 O PHE 7 5.752 28.280 5.552 1.00 0.00 ATOM 63 C PHE 7 6.275 29.382 5.701 1.00 0.00 ATOM 64 N GLY 8 6.017 30.171 6.754 1.00 0.00 ATOM 65 CA GLY 8 5.010 29.743 7.744 1.00 0.00 ATOM 66 O GLY 8 2.843 28.798 7.462 1.00 0.00 ATOM 67 C GLY 8 3.627 29.657 7.103 1.00 0.00 ATOM 68 N GLU 9 3.336 30.540 6.154 1.00 0.00 ATOM 69 CA GLU 9 2.085 30.446 5.389 1.00 0.00 ATOM 70 CB GLU 9 2.086 31.449 4.235 1.00 0.00 ATOM 71 CG GLU 9 0.801 31.461 3.423 1.00 0.00 ATOM 72 CD GLU 9 0.814 32.510 2.329 1.00 0.00 ATOM 73 OE1 GLU 9 1.818 33.245 2.221 1.00 0.00 ATOM 74 OE2 GLU 9 -0.182 32.599 1.579 1.00 0.00 ATOM 75 O GLU 9 0.783 28.541 4.830 1.00 0.00 ATOM 76 C GLU 9 1.883 29.055 4.792 1.00 0.00 ATOM 77 N GLY 10 2.944 28.450 4.260 1.00 0.00 ATOM 78 CA GLY 10 2.854 27.136 3.639 1.00 0.00 ATOM 79 O GLY 10 1.933 25.139 4.587 1.00 0.00 ATOM 80 C GLY 10 2.753 26.050 4.702 1.00 0.00 ATOM 81 N MET 11 3.592 26.135 5.733 1.00 0.00 ATOM 82 CA MET 11 3.576 25.120 6.784 1.00 0.00 ATOM 83 CB MET 11 4.671 25.401 7.816 1.00 0.00 ATOM 84 CG MET 11 6.082 25.185 7.295 1.00 0.00 ATOM 85 SD MET 11 6.382 23.484 6.780 1.00 0.00 ATOM 86 CE MET 11 6.343 22.640 8.358 1.00 0.00 ATOM 87 O MET 11 1.691 24.080 7.835 1.00 0.00 ATOM 88 C MET 11 2.228 25.134 7.482 1.00 0.00 ATOM 89 N LYS 12 1.681 26.331 7.672 1.00 0.00 ATOM 90 CA LYS 12 0.331 26.460 8.221 1.00 0.00 ATOM 91 CB LYS 12 -0.036 27.935 8.398 1.00 0.00 ATOM 92 CG LYS 12 0.724 28.634 9.514 1.00 0.00 ATOM 93 CD LYS 12 0.310 30.091 9.637 1.00 0.00 ATOM 94 CE LYS 12 1.088 30.796 10.735 1.00 0.00 ATOM 95 NZ LYS 12 0.717 32.233 10.844 1.00 0.00 ATOM 96 O LYS 12 -1.545 25.084 7.745 1.00 0.00 ATOM 97 C LYS 12 -0.674 25.824 7.291 1.00 0.00 ATOM 98 N VAL 13 -0.522 26.086 5.989 1.00 0.00 ATOM 99 CA VAL 13 -1.423 25.520 4.976 1.00 0.00 ATOM 100 CB VAL 13 -1.102 26.062 3.571 1.00 0.00 ATOM 101 CG1 VAL 13 -1.909 25.319 2.517 1.00 0.00 ATOM 102 CG2 VAL 13 -1.441 27.542 3.479 1.00 0.00 ATOM 103 O VAL 13 -2.303 23.344 4.825 1.00 0.00 ATOM 104 C VAL 13 -1.295 24.011 4.934 1.00 0.00 ATOM 105 N VAL 14 -0.065 23.480 5.008 1.00 0.00 ATOM 106 CA VAL 14 0.142 22.028 5.047 1.00 0.00 ATOM 107 CB VAL 14 1.639 21.674 5.130 1.00 0.00 ATOM 108 CG1 VAL 14 1.821 20.183 5.368 1.00 0.00 ATOM 109 CG2 VAL 14 2.345 22.043 3.834 1.00 0.00 ATOM 110 O VAL 14 -1.174 20.368 6.141 1.00 0.00 ATOM 111 C VAL 14 -0.547 21.411 6.256 1.00 0.00 ATOM 112 N LYS 15 -0.379 22.033 7.421 1.00 0.00 ATOM 113 CA LYS 15 -0.941 21.500 8.658 1.00 0.00 ATOM 114 CB LYS 15 -0.409 22.275 9.865 1.00 0.00 ATOM 115 CG LYS 15 1.061 22.028 10.163 1.00 0.00 ATOM 116 CD LYS 15 1.520 22.822 11.375 1.00 0.00 ATOM 117 CE LYS 15 2.997 22.602 11.652 1.00 0.00 ATOM 118 NZ LYS 15 3.468 23.394 12.822 1.00 0.00 ATOM 119 O LYS 15 -3.159 20.660 9.114 1.00 0.00 ATOM 120 C LYS 15 -2.473 21.593 8.689 1.00 0.00 ATOM 121 N GLU 16 -2.975 22.743 8.251 1.00 0.00 ATOM 122 CA GLU 16 -4.410 22.992 8.065 1.00 0.00 ATOM 123 CB GLU 16 -4.644 24.414 7.551 1.00 0.00 ATOM 124 CG GLU 16 -4.376 25.498 8.583 1.00 0.00 ATOM 125 CD GLU 16 -4.529 26.895 8.014 1.00 0.00 ATOM 126 OE1 GLU 16 -4.775 27.016 6.796 1.00 0.00 ATOM 127 OE2 GLU 16 -4.401 27.868 8.786 1.00 0.00 ATOM 128 O GLU 16 -6.201 21.673 7.132 1.00 0.00 ATOM 129 C GLU 16 -5.021 22.021 7.054 1.00 0.00 ATOM 130 N LYS 17 -4.213 21.594 6.094 1.00 0.00 ATOM 131 CA LYS 17 -4.687 20.706 5.039 1.00 0.00 ATOM 132 CB LYS 17 -3.791 20.817 3.804 1.00 0.00 ATOM 133 CG LYS 17 -3.724 22.214 3.208 1.00 0.00 ATOM 134 CD LYS 17 -5.080 22.654 2.681 1.00 0.00 ATOM 135 CE LYS 17 -4.993 24.009 1.998 1.00 0.00 ATOM 136 NZ LYS 17 -6.322 24.472 1.512 1.00 0.00 ATOM 137 O LYS 17 -5.649 18.504 5.247 1.00 0.00 ATOM 138 C LYS 17 -4.686 19.222 5.497 1.00 0.00 ATOM 139 N TYR 18 11.773 29.525 -0.466 1.00 0.00 ATOM 140 CA TYR 18 10.326 29.708 -0.279 1.00 0.00 ATOM 141 CB TYR 18 10.032 31.093 0.299 1.00 0.00 ATOM 142 CG TYR 18 8.559 31.375 0.497 1.00 0.00 ATOM 143 CD1 TYR 18 7.873 30.848 1.584 1.00 0.00 ATOM 144 CD2 TYR 18 7.859 32.167 -0.404 1.00 0.00 ATOM 145 CE1 TYR 18 6.527 31.099 1.773 1.00 0.00 ATOM 146 CE2 TYR 18 6.514 32.429 -0.232 1.00 0.00 ATOM 147 CZ TYR 18 5.850 31.888 0.868 1.00 0.00 ATOM 148 OH TYR 18 4.510 32.140 1.053 1.00 0.00 ATOM 149 O TYR 18 8.407 28.998 -1.536 1.00 0.00 ATOM 150 C TYR 18 9.483 29.596 -1.558 1.00 0.00 ATOM 151 N PRO 19 9.963 30.131 -2.672 1.00 0.00 ATOM 152 CA PRO 19 9.243 29.987 -3.935 1.00 0.00 ATOM 153 CB PRO 19 10.116 30.735 -4.946 1.00 0.00 ATOM 154 CG PRO 19 10.798 31.789 -4.141 1.00 0.00 ATOM 155 CD PRO 19 11.151 31.149 -2.829 1.00 0.00 ATOM 156 O PRO 19 7.956 28.112 -4.727 1.00 0.00 ATOM 157 C PRO 19 9.059 28.524 -4.359 1.00 0.00 ATOM 158 N ASP 20 10.133 27.736 -4.321 1.00 0.00 ATOM 159 CA ASP 20 10.045 26.325 -4.714 1.00 0.00 ATOM 160 CB ASP 20 11.431 25.676 -4.691 1.00 0.00 ATOM 161 CG ASP 20 12.307 26.135 -5.840 1.00 0.00 ATOM 162 OD1 ASP 20 11.776 26.763 -6.779 1.00 0.00 ATOM 163 OD2 ASP 20 13.526 25.864 -5.801 1.00 0.00 ATOM 164 O ASP 20 8.377 24.671 -4.188 1.00 0.00 ATOM 165 C ASP 20 9.140 25.542 -3.764 1.00 0.00 ATOM 166 N LEU 21 9.270 25.845 -2.471 1.00 0.00 ATOM 167 CA LEU 21 8.375 25.323 -1.442 1.00 0.00 ATOM 168 CB LEU 21 8.638 26.013 -0.102 1.00 0.00 ATOM 169 CG LEU 21 7.762 25.571 1.071 1.00 0.00 ATOM 170 CD1 LEU 21 7.994 24.102 1.392 1.00 0.00 ATOM 171 CD2 LEU 21 8.081 26.385 2.317 1.00 0.00 ATOM 172 O LEU 21 6.119 24.620 -1.823 1.00 0.00 ATOM 173 C LEU 21 6.902 25.551 -1.810 1.00 0.00 ATOM 174 N TYR 22 6.552 26.791 -2.142 1.00 0.00 ATOM 175 CA TYR 22 5.195 27.141 -2.516 1.00 0.00 ATOM 176 CB TYR 22 5.088 28.639 -2.806 1.00 0.00 ATOM 177 CG TYR 22 3.711 29.081 -3.246 1.00 0.00 ATOM 178 CD1 TYR 22 2.699 29.282 -2.317 1.00 0.00 ATOM 179 CD2 TYR 22 3.427 29.295 -4.589 1.00 0.00 ATOM 180 CE1 TYR 22 1.437 29.685 -2.709 1.00 0.00 ATOM 181 CE2 TYR 22 2.170 29.699 -4.999 1.00 0.00 ATOM 182 CZ TYR 22 1.173 29.894 -4.044 1.00 0.00 ATOM 183 OH TYR 22 -0.083 30.297 -4.438 1.00 0.00 ATOM 184 O TYR 22 3.705 25.741 -3.769 1.00 0.00 ATOM 185 C TYR 22 4.757 26.386 -3.762 1.00 0.00 ATOM 186 N ASP 23 5.565 26.434 -4.821 1.00 0.00 ATOM 187 CA ASP 23 5.243 25.705 -6.057 1.00 0.00 ATOM 188 CB ASP 23 6.383 25.835 -7.069 1.00 0.00 ATOM 189 CG ASP 23 6.461 27.218 -7.684 1.00 0.00 ATOM 190 OD1 ASP 23 5.501 27.999 -7.513 1.00 0.00 ATOM 191 OD2 ASP 23 7.481 27.521 -8.339 1.00 0.00 ATOM 192 O ASP 23 4.120 23.611 -6.384 1.00 0.00 ATOM 193 C ASP 23 5.019 24.221 -5.811 1.00 0.00 ATOM 194 N ILE 24 5.886 23.609 -5.016 1.00 0.00 ATOM 195 CA ILE 24 5.789 22.169 -4.779 1.00 0.00 ATOM 196 CB ILE 24 6.988 21.648 -3.964 1.00 0.00 ATOM 197 CG1 ILE 24 8.275 21.755 -4.782 1.00 0.00 ATOM 198 CG2 ILE 24 6.779 20.191 -3.582 1.00 0.00 ATOM 199 CD1 ILE 24 9.534 21.518 -3.976 1.00 0.00 ATOM 200 O ILE 24 3.735 20.964 -4.385 1.00 0.00 ATOM 201 C ILE 24 4.509 21.850 -4.001 1.00 0.00 ATOM 202 N ILE 25 4.267 22.592 -2.927 1.00 0.00 ATOM 203 CA ILE 25 3.035 22.409 -2.156 1.00 0.00 ATOM 204 CB ILE 25 2.961 23.389 -0.970 1.00 0.00 ATOM 205 CG1 ILE 25 4.034 23.054 0.067 1.00 0.00 ATOM 206 CG2 ILE 25 1.599 23.309 -0.297 1.00 0.00 ATOM 207 CD1 ILE 25 4.212 24.119 1.128 1.00 0.00 ATOM 208 O ILE 25 0.863 21.812 -2.983 1.00 0.00 ATOM 209 C ILE 25 1.762 22.638 -3.000 1.00 0.00 ATOM 210 N VAL 26 1.686 23.729 -3.762 1.00 0.00 ATOM 211 CA VAL 26 0.534 23.961 -4.651 1.00 0.00 ATOM 212 CB VAL 26 0.777 25.158 -5.588 1.00 0.00 ATOM 213 CG1 VAL 26 -0.325 25.249 -6.633 1.00 0.00 ATOM 214 CG2 VAL 26 0.796 26.459 -4.797 1.00 0.00 ATOM 215 O VAL 26 -0.919 22.317 -5.679 1.00 0.00 ATOM 216 C VAL 26 0.239 22.740 -5.544 1.00 0.00 ATOM 217 N LYS 27 1.278 22.154 -6.137 1.00 0.00 ATOM 218 CA LYS 27 1.089 20.942 -6.969 1.00 0.00 ATOM 219 CB LYS 27 2.418 20.501 -7.584 1.00 0.00 ATOM 220 CG LYS 27 2.311 19.285 -8.489 1.00 0.00 ATOM 221 CD LYS 27 3.653 18.947 -9.119 1.00 0.00 ATOM 222 CE LYS 27 3.556 17.702 -9.986 1.00 0.00 ATOM 223 NZ LYS 27 4.869 17.345 -10.592 1.00 0.00 ATOM 224 O LYS 27 -0.368 19.081 -6.625 1.00 0.00 ATOM 225 C LYS 27 0.552 19.777 -6.178 1.00 0.00 ATOM 226 N LEU 28 1.126 19.554 -5.003 1.00 0.00 ATOM 227 CA LEU 28 0.685 18.450 -4.159 1.00 0.00 ATOM 228 CB LEU 28 1.514 18.394 -2.875 1.00 0.00 ATOM 229 CG LEU 28 2.976 17.974 -3.030 1.00 0.00 ATOM 230 CD1 LEU 28 3.724 18.135 -1.714 1.00 0.00 ATOM 231 CD2 LEU 28 3.077 16.517 -3.457 1.00 0.00 ATOM 232 O LEU 28 -1.545 17.631 -3.822 1.00 0.00 ATOM 233 C LEU 28 -0.786 18.596 -3.761 1.00 0.00 ATOM 234 N ASN 29 -1.200 19.800 -3.375 1.00 0.00 ATOM 235 CA ASN 29 -2.606 20.029 -3.040 1.00 0.00 ATOM 236 CB ASN 29 -2.823 21.478 -2.600 1.00 0.00 ATOM 237 CG ASN 29 -2.258 21.760 -1.221 1.00 0.00 ATOM 238 ND2 ASN 29 -2.038 23.036 -0.923 1.00 0.00 ATOM 239 OD1 ASN 29 -2.022 20.842 -0.438 1.00 0.00 ATOM 240 O ASN 29 -4.539 19.091 -4.070 1.00 0.00 ATOM 241 C ASN 29 -3.529 19.770 -4.208 1.00 0.00 ATOM 242 N ASP 30 -3.188 20.324 -5.363 1.00 0.00 ATOM 243 CA ASP 30 -4.023 20.187 -6.544 1.00 0.00 ATOM 244 CB ASP 30 -3.429 20.973 -7.715 1.00 0.00 ATOM 245 CG ASP 30 -3.585 22.472 -7.549 1.00 0.00 ATOM 246 OD1 ASP 30 -4.354 22.895 -6.660 1.00 0.00 ATOM 247 OD2 ASP 30 -2.940 23.223 -8.310 1.00 0.00 ATOM 248 O ASP 30 -5.245 18.239 -7.285 1.00 0.00 ATOM 249 C ASP 30 -4.151 18.719 -6.981 1.00 0.00 ATOM 250 N THR 31 -3.032 18.009 -6.998 1.00 0.00 ATOM 251 CA THR 31 -3.016 16.674 -7.529 1.00 0.00 ATOM 252 CB THR 31 -1.601 16.260 -7.971 1.00 0.00 ATOM 253 CG2 THR 31 -1.610 14.846 -8.531 1.00 0.00 ATOM 254 OG1 THR 31 -1.132 17.157 -8.986 1.00 0.00 ATOM 255 O THR 31 -4.226 14.748 -6.799 1.00 0.00 ATOM 256 C THR 31 -3.488 15.672 -6.483 1.00 0.00 ATOM 257 N VAL 32 -3.057 15.845 -5.240 1.00 0.00 ATOM 258 CA VAL 32 -3.183 14.775 -4.266 1.00 0.00 ATOM 259 CB VAL 32 -1.931 14.669 -3.377 1.00 0.00 ATOM 260 CG1 VAL 32 -2.154 13.662 -2.259 1.00 0.00 ATOM 261 CG2 VAL 32 -0.731 14.219 -4.198 1.00 0.00 ATOM 262 O VAL 32 -4.909 13.957 -2.817 1.00 0.00 ATOM 263 C VAL 32 -4.361 14.943 -3.319 1.00 0.00 ATOM 264 N PHE 33 -4.759 16.180 -3.079 1.00 0.00 ATOM 265 CA PHE 33 -5.745 16.455 -2.069 1.00 0.00 ATOM 266 CB PHE 33 -5.331 17.668 -1.232 1.00 0.00 ATOM 267 CG PHE 33 -4.113 17.431 -0.385 1.00 0.00 ATOM 268 CD1 PHE 33 -2.851 17.752 -0.855 1.00 0.00 ATOM 269 CD2 PHE 33 -4.229 16.889 0.884 1.00 0.00 ATOM 270 CE1 PHE 33 -1.731 17.534 -0.076 1.00 0.00 ATOM 271 CE2 PHE 33 -3.109 16.672 1.662 1.00 0.00 ATOM 272 CZ PHE 33 -1.863 16.992 1.189 1.00 0.00 ATOM 273 O PHE 33 -7.188 17.571 -3.617 1.00 0.00 ATOM 274 C PHE 33 -7.090 16.750 -2.706 1.00 0.00 ATOM 275 N THR 34 -8.120 16.049 -2.228 1.00 0.00 ATOM 276 CA THR 34 -9.507 16.439 -2.466 1.00 0.00 ATOM 277 CB THR 34 -9.610 17.903 -2.933 1.00 0.00 ATOM 278 CG2 THR 34 -8.991 18.834 -1.902 1.00 0.00 ATOM 279 OG1 THR 34 -8.917 18.060 -4.177 1.00 0.00 ATOM 280 O THR 34 -9.780 14.574 -3.941 1.00 0.00 ATOM 281 C THR 34 -10.236 15.633 -3.520 1.00 0.00 ATOM 282 N GLY 35 -11.391 16.153 -3.931 1.00 0.00 ATOM 283 CA GLY 35 -12.216 15.514 -4.942 1.00 0.00 ATOM 284 O GLY 35 -10.818 16.524 -6.639 1.00 0.00 ATOM 285 C GLY 35 -11.451 15.520 -6.271 1.00 0.00 ATOM 289 N ASP 39 -9.401 7.860 -6.053 1.00 0.00 ATOM 290 CA ASP 39 -9.492 8.139 -4.593 1.00 0.00 ATOM 291 CB ASP 39 -10.062 6.927 -3.851 1.00 0.00 ATOM 292 CG ASP 39 -11.547 6.745 -4.089 1.00 0.00 ATOM 293 OD1 ASP 39 -12.169 7.647 -4.689 1.00 0.00 ATOM 294 OD2 ASP 39 -12.091 5.699 -3.676 1.00 0.00 ATOM 295 O ASP 39 -7.104 8.100 -4.714 1.00 0.00 ATOM 296 C ASP 39 -8.098 8.443 -4.062 1.00 0.00 ATOM 297 N TYR 40 -8.018 9.127 -2.917 1.00 0.00 ATOM 298 CA TYR 40 -6.724 9.502 -2.339 1.00 0.00 ATOM 299 CB TYR 40 -6.917 10.131 -0.957 1.00 0.00 ATOM 300 CG TYR 40 -5.624 10.485 -0.259 1.00 0.00 ATOM 301 CD1 TYR 40 -4.930 11.642 -0.594 1.00 0.00 ATOM 302 CD2 TYR 40 -5.099 9.662 0.730 1.00 0.00 ATOM 303 CE1 TYR 40 -3.746 11.974 0.039 1.00 0.00 ATOM 304 CE2 TYR 40 -3.917 9.980 1.372 1.00 0.00 ATOM 305 CZ TYR 40 -3.242 11.146 1.018 1.00 0.00 ATOM 306 OH TYR 40 -2.064 11.476 1.649 1.00 0.00 ATOM 307 O TYR 40 -4.526 8.537 -2.312 1.00 0.00 ATOM 308 C TYR 40 -5.738 8.349 -2.139 1.00 0.00 ATOM 309 N LYS 41 -6.248 7.179 -1.770 1.00 0.00 ATOM 310 CA LYS 41 -5.393 6.022 -1.554 1.00 0.00 ATOM 311 CB LYS 41 -6.194 4.870 -0.945 1.00 0.00 ATOM 312 CG LYS 41 -5.374 3.622 -0.667 1.00 0.00 ATOM 313 CD LYS 41 -6.209 2.551 0.016 1.00 0.00 ATOM 314 CE LYS 41 -7.253 1.978 -0.929 1.00 0.00 ATOM 315 NZ LYS 41 -8.108 0.958 -0.261 1.00 0.00 ATOM 316 O LYS 41 -3.618 5.252 -2.933 1.00 0.00 ATOM 317 C LYS 41 -4.796 5.549 -2.867 1.00 0.00 ATOM 318 N THR 42 -5.604 5.487 -3.918 1.00 0.00 ATOM 319 CA THR 42 -5.116 5.039 -5.229 1.00 0.00 ATOM 320 CB THR 42 -6.238 5.053 -6.284 1.00 0.00 ATOM 321 CG2 THR 42 -5.697 4.624 -7.640 1.00 0.00 ATOM 322 OG1 THR 42 -7.277 4.149 -5.892 1.00 0.00 ATOM 323 O THR 42 -2.975 5.554 -6.125 1.00 0.00 ATOM 324 C THR 42 -4.014 5.987 -5.654 1.00 0.00 ATOM 325 N GLN 43 -4.222 7.291 -5.456 1.00 0.00 ATOM 326 CA GLN 43 -3.210 8.260 -5.874 1.00 0.00 ATOM 327 CB GLN 43 -3.672 9.686 -5.559 1.00 0.00 ATOM 328 CG GLN 43 -4.814 10.176 -6.434 1.00 0.00 ATOM 329 CD GLN 43 -5.331 11.535 -6.007 1.00 0.00 ATOM 330 OE1 GLN 43 -4.890 12.090 -5.001 1.00 0.00 ATOM 331 NE2 GLN 43 -6.271 12.077 -6.774 1.00 0.00 ATOM 332 O GLN 43 -0.874 7.926 -5.712 1.00 0.00 ATOM 333 C GLN 43 -1.931 7.970 -5.128 1.00 0.00 ATOM 334 N LYS 44 -2.047 7.746 -3.828 1.00 0.00 ATOM 335 CA LYS 44 -0.881 7.496 -3.002 1.00 0.00 ATOM 336 CB LYS 44 -1.290 7.328 -1.538 1.00 0.00 ATOM 337 CG LYS 44 -0.121 7.120 -0.588 1.00 0.00 ATOM 338 CD LYS 44 0.730 8.374 -0.477 1.00 0.00 ATOM 339 CE LYS 44 1.818 8.213 0.573 1.00 0.00 ATOM 340 NZ LYS 44 2.654 9.438 0.698 1.00 0.00 ATOM 341 O LYS 44 1.103 6.241 -3.431 1.00 0.00 ATOM 342 C LYS 44 -0.121 6.233 -3.402 1.00 0.00 ATOM 343 N LEU 45 -0.838 5.170 -3.766 1.00 0.00 ATOM 344 CA LEU 45 -0.202 3.925 -4.212 1.00 0.00 ATOM 345 CB LEU 45 -1.247 2.819 -4.375 1.00 0.00 ATOM 346 CG LEU 45 -1.888 2.297 -3.088 1.00 0.00 ATOM 347 CD1 LEU 45 -3.025 1.338 -3.405 1.00 0.00 ATOM 348 CD2 LEU 45 -0.865 1.556 -2.240 1.00 0.00 ATOM 349 O LEU 45 1.559 3.462 -5.756 1.00 0.00 ATOM 350 C LEU 45 0.515 4.052 -5.547 1.00 0.00 ATOM 351 N ILE 46 -0.025 4.848 -6.453 1.00 0.00 ATOM 352 CA ILE 46 0.697 5.182 -7.688 1.00 0.00 ATOM 353 CB ILE 46 -0.171 6.028 -8.640 1.00 0.00 ATOM 354 CG1 ILE 46 -1.338 5.195 -9.176 1.00 0.00 ATOM 355 CG2 ILE 46 0.653 6.520 -9.818 1.00 0.00 ATOM 356 CD1 ILE 46 -2.385 6.010 -9.903 1.00 0.00 ATOM 357 O ILE 46 3.018 5.736 -7.892 1.00 0.00 ATOM 358 C ILE 46 1.949 5.978 -7.341 1.00 0.00 ATOM 359 N ALA 47 1.829 6.891 -6.380 1.00 0.00 ATOM 360 CA ALA 47 2.968 7.723 -5.952 1.00 0.00 ATOM 361 CB ALA 47 2.521 8.737 -4.910 1.00 0.00 ATOM 362 O ALA 47 5.267 7.141 -5.546 1.00 0.00 ATOM 363 C ALA 47 4.094 6.879 -5.333 1.00 0.00 ATOM 364 N ILE 48 3.712 5.897 -4.525 1.00 0.00 ATOM 365 CA ILE 48 4.627 4.940 -3.945 1.00 0.00 ATOM 366 CB ILE 48 3.898 3.956 -3.012 1.00 0.00 ATOM 367 CG1 ILE 48 3.379 4.683 -1.770 1.00 0.00 ATOM 368 CG2 ILE 48 4.840 2.848 -2.564 1.00 0.00 ATOM 369 CD1 ILE 48 2.427 3.859 -0.932 1.00 0.00 ATOM 370 O ILE 48 6.529 3.838 -4.912 1.00 0.00 ATOM 371 C ILE 48 5.338 4.104 -4.995 1.00 0.00 ATOM 372 N GLY 49 4.590 3.686 -6.004 1.00 0.00 ATOM 373 CA GLY 49 5.144 2.855 -7.050 1.00 0.00 ATOM 374 O GLY 49 7.308 3.114 -8.050 1.00 0.00 ATOM 375 C GLY 49 6.218 3.625 -7.808 1.00 0.00 ATOM 376 N ILE 50 5.907 4.863 -8.177 1.00 0.00 ATOM 377 CA ILE 50 6.866 5.710 -8.856 1.00 0.00 ATOM 378 CB ILE 50 6.280 7.105 -9.145 1.00 0.00 ATOM 379 CG1 ILE 50 5.062 6.992 -10.063 1.00 0.00 ATOM 380 CG2 ILE 50 7.317 7.987 -9.828 1.00 0.00 ATOM 381 CD1 ILE 50 4.302 8.289 -10.230 1.00 0.00 ATOM 382 O ILE 50 9.218 5.740 -8.478 1.00 0.00 ATOM 383 C ILE 50 8.103 5.886 -8.001 1.00 0.00 ATOM 384 N VAL 51 9.437 4.092 -5.823 1.00 0.00 ATOM 385 CA VAL 51 10.231 2.852 -5.800 1.00 0.00 ATOM 386 CB VAL 51 9.339 1.613 -5.593 1.00 0.00 ATOM 387 CG1 VAL 51 10.149 0.337 -5.771 1.00 0.00 ATOM 388 CG2 VAL 51 8.744 1.613 -4.194 1.00 0.00 ATOM 389 O VAL 51 12.169 2.451 -7.102 1.00 0.00 ATOM 390 C VAL 51 10.978 2.665 -7.090 1.00 0.00 ATOM 391 N ALA 52 10.291 2.781 -8.220 1.00 0.00 ATOM 392 CA ALA 52 10.966 2.611 -9.470 1.00 0.00 ATOM 393 CB ALA 52 9.984 2.739 -10.625 1.00 0.00 ATOM 394 O ALA 52 13.063 3.344 -10.326 1.00 0.00 ATOM 395 C ALA 52 12.061 3.652 -9.678 1.00 0.00 ATOM 396 N SER 53 11.866 4.882 -9.165 1.00 0.00 ATOM 397 CA SER 53 12.922 5.920 -9.199 1.00 0.00 ATOM 398 CB SER 53 12.316 7.307 -8.978 1.00 0.00 ATOM 399 OG SER 53 11.791 7.431 -7.667 1.00 0.00 ATOM 400 O SER 53 14.939 6.517 -8.036 1.00 0.00 ATOM 401 C SER 53 14.003 5.728 -8.127 1.00 0.00 ATOM 402 N ARG 54 13.858 4.701 -7.305 1.00 0.00 ATOM 403 CA ARG 54 14.871 4.305 -6.338 1.00 0.00 ATOM 404 CB ARG 54 16.225 4.120 -7.026 1.00 0.00 ATOM 405 CG ARG 54 16.212 3.115 -8.165 1.00 0.00 ATOM 406 CD ARG 54 17.616 2.847 -8.683 1.00 0.00 ATOM 407 NE ARG 54 18.311 4.083 -9.037 1.00 0.00 ATOM 408 CZ ARG 54 18.210 4.686 -10.217 1.00 0.00 ATOM 409 NH1 ARG 54 18.881 5.807 -10.448 1.00 0.00 ATOM 410 NH2 ARG 54 17.438 4.167 -11.162 1.00 0.00 ATOM 411 O ARG 54 16.201 5.279 -4.594 1.00 0.00 ATOM 412 C ARG 54 15.123 5.295 -5.186 1.00 0.00 ATOM 413 N CYS 55 14.125 6.125 -4.855 1.00 0.00 ATOM 414 CA CYS 55 14.254 7.111 -3.767 1.00 0.00 ATOM 415 CB CYS 55 13.318 8.298 -4.004 1.00 0.00 ATOM 416 SG CYS 55 13.695 9.261 -5.487 1.00 0.00 ATOM 417 O CYS 55 12.731 6.332 -2.051 1.00 0.00 ATOM 418 C CYS 55 13.901 6.515 -2.383 1.00 0.00 ATOM 419 N ASP 56 14.900 6.288 -1.541 1.00 0.00 ATOM 420 CA ASP 56 14.706 5.644 -0.245 1.00 0.00 ATOM 421 CB ASP 56 16.040 5.515 0.493 1.00 0.00 ATOM 422 CG ASP 56 16.942 4.459 -0.112 1.00 0.00 ATOM 423 OD1 ASP 56 16.454 3.666 -0.945 1.00 0.00 ATOM 424 OD2 ASP 56 18.139 4.424 0.245 1.00 0.00 ATOM 425 O ASP 56 12.859 5.838 1.286 1.00 0.00 ATOM 426 C ASP 56 13.760 6.412 0.672 1.00 0.00 ATOM 427 N GLU 57 13.996 7.713 0.799 1.00 0.00 ATOM 428 CA GLU 57 13.198 8.536 1.697 1.00 0.00 ATOM 429 CB GLU 57 13.669 9.990 1.651 1.00 0.00 ATOM 430 CG GLU 57 15.025 10.225 2.296 1.00 0.00 ATOM 431 CD GLU 57 15.513 11.649 2.124 1.00 0.00 ATOM 432 OE1 GLU 57 14.826 12.434 1.437 1.00 0.00 ATOM 433 OE2 GLU 57 16.583 11.981 2.676 1.00 0.00 ATOM 434 O GLU 57 10.863 8.361 2.112 1.00 0.00 ATOM 435 C GLU 57 11.755 8.476 1.281 1.00 0.00 ATOM 436 N ALA 59 11.563 8.591 -0.025 1.00 0.00 ATOM 437 CA ALA 59 10.252 8.601 -0.668 1.00 0.00 ATOM 438 CB ALA 59 10.395 8.865 -2.159 1.00 0.00 ATOM 439 O ALA 59 8.294 7.281 -0.362 1.00 0.00 ATOM 440 C ALA 59 9.494 7.275 -0.515 1.00 0.00 ATOM 441 N ILE 60 10.196 6.151 -0.540 1.00 0.00 ATOM 442 CA ILE 60 9.557 4.865 -0.269 1.00 0.00 ATOM 443 CB ILE 60 10.559 3.702 -0.384 1.00 0.00 ATOM 444 CG1 ILE 60 11.012 3.529 -1.834 1.00 0.00 ATOM 445 CG2 ILE 60 9.919 2.401 0.080 1.00 0.00 ATOM 446 CD1 ILE 60 12.191 2.594 -1.998 1.00 0.00 ATOM 447 O ILE 60 7.844 4.480 1.336 1.00 0.00 ATOM 448 C ILE 60 8.988 4.867 1.125 1.00 0.00 ATOM 449 N GLU 61 9.787 5.317 2.081 1.00 0.00 ATOM 450 CA GLU 61 9.303 5.451 3.443 1.00 0.00 ATOM 451 CB GLU 61 10.409 5.987 4.355 1.00 0.00 ATOM 452 CG GLU 61 10.001 6.117 5.815 1.00 0.00 ATOM 453 CD GLU 61 11.132 6.618 6.691 1.00 0.00 ATOM 454 OE1 GLU 61 12.236 6.853 6.159 1.00 0.00 ATOM 455 OE2 GLU 61 10.911 6.777 7.910 1.00 0.00 ATOM 456 O GLU 61 7.083 6.047 4.084 1.00 0.00 ATOM 457 C GLU 61 8.123 6.409 3.528 1.00 0.00 ATOM 458 N LYS 62 8.262 7.610 2.968 1.00 0.00 ATOM 459 CA LYS 62 7.254 8.645 3.202 1.00 0.00 ATOM 460 CB LYS 62 7.681 9.965 2.557 1.00 0.00 ATOM 461 CG LYS 62 8.856 10.640 3.247 1.00 0.00 ATOM 462 CD LYS 62 9.225 11.945 2.559 1.00 0.00 ATOM 463 CE LYS 62 10.415 12.607 3.234 1.00 0.00 ATOM 464 NZ LYS 62 10.809 13.869 2.549 1.00 0.00 ATOM 465 O LYS 62 4.873 8.427 3.251 1.00 0.00 ATOM 466 C LYS 62 5.911 8.256 2.617 1.00 0.00 ATOM 467 N GLN 63 5.931 7.680 1.425 1.00 0.00 ATOM 468 CA GLN 63 4.703 7.304 0.759 1.00 0.00 ATOM 469 CB GLN 63 4.922 7.207 -0.752 1.00 0.00 ATOM 470 CG GLN 63 5.324 8.519 -1.406 1.00 0.00 ATOM 471 CD GLN 63 4.310 9.621 -1.174 1.00 0.00 ATOM 472 OE1 GLN 63 3.108 9.421 -1.358 1.00 0.00 ATOM 473 NE2 GLN 63 4.790 10.791 -0.770 1.00 0.00 ATOM 474 O GLN 63 2.933 5.720 0.956 1.00 0.00 ATOM 475 C GLN 63 4.118 5.962 1.181 1.00 0.00 ATOM 476 N MET 64 4.927 5.097 1.788 1.00 0.00 ATOM 477 CA MET 64 4.380 3.915 2.456 1.00 0.00 ATOM 478 CB MET 64 5.506 2.969 2.877 1.00 0.00 ATOM 479 CG MET 64 5.023 1.664 3.491 1.00 0.00 ATOM 480 SD MET 64 4.056 0.671 2.340 1.00 0.00 ATOM 481 CE MET 64 5.336 0.095 1.229 1.00 0.00 ATOM 482 O MET 64 2.498 3.935 3.982 1.00 0.00 ATOM 483 C MET 64 3.610 4.395 3.695 1.00 0.00 ATOM 484 N LYS 65 4.188 5.353 4.402 1.00 0.00 ATOM 485 CA LYS 65 3.522 5.943 5.554 1.00 0.00 ATOM 486 CB LYS 65 4.429 6.976 6.226 1.00 0.00 ATOM 487 CG LYS 65 5.632 6.377 6.938 1.00 0.00 ATOM 488 CD LYS 65 6.487 7.457 7.579 1.00 0.00 ATOM 489 CE LYS 65 7.703 6.860 8.270 1.00 0.00 ATOM 490 NZ LYS 65 8.570 7.910 8.872 1.00 0.00 ATOM 491 O LYS 65 1.173 6.434 5.770 1.00 0.00 ATOM 492 C LYS 65 2.218 6.653 5.167 1.00 0.00 ATOM 493 N SER 66 2.272 7.470 4.120 1.00 0.00 ATOM 494 CA SER 66 1.074 8.157 3.626 1.00 0.00 ATOM 495 CB SER 66 1.415 9.023 2.410 1.00 0.00 ATOM 496 OG SER 66 2.267 10.096 2.773 1.00 0.00 ATOM 497 O SER 66 -1.179 7.394 3.515 1.00 0.00 ATOM 498 C SER 66 -0.020 7.188 3.199 1.00 0.00 ATOM 499 N ALA 67 0.341 6.149 2.456 1.00 0.00 ATOM 500 CA ALA 67 -0.657 5.172 1.995 1.00 0.00 ATOM 501 CB ALA 67 -0.001 4.115 1.120 1.00 0.00 ATOM 502 O ALA 67 -2.552 4.221 3.137 1.00 0.00 ATOM 503 C ALA 67 -1.340 4.450 3.172 1.00 0.00 ATOM 504 N MET 68 -0.563 4.110 4.202 1.00 0.00 ATOM 505 CA MET 68 -1.120 3.515 5.418 1.00 0.00 ATOM 506 CB MET 68 -0.002 3.148 6.395 1.00 0.00 ATOM 507 CG MET 68 0.867 1.989 5.936 1.00 0.00 ATOM 508 SD MET 68 2.250 1.672 7.049 1.00 0.00 ATOM 509 CE MET 68 1.388 1.061 8.495 1.00 0.00 ATOM 510 O MET 68 -3.157 4.113 6.515 1.00 0.00 ATOM 511 C MET 68 -2.053 4.487 6.103 1.00 0.00 ATOM 512 N LYS 69 -1.614 5.737 6.239 1.00 0.00 ATOM 513 CA LYS 69 -2.455 6.734 6.863 1.00 0.00 ATOM 514 CB LYS 69 -1.720 8.072 6.959 1.00 0.00 ATOM 515 CG LYS 69 -0.578 8.084 7.962 1.00 0.00 ATOM 516 CD LYS 69 0.110 9.437 7.999 1.00 0.00 ATOM 517 CE LYS 69 1.256 9.447 8.999 1.00 0.00 ATOM 518 NZ LYS 69 1.959 10.758 9.025 1.00 0.00 ATOM 519 O LYS 69 -4.756 7.287 6.635 1.00 0.00 ATOM 520 C LYS 69 -3.737 6.951 6.059 1.00 0.00 ATOM 521 N LEU 71 -3.688 6.753 4.738 1.00 0.00 ATOM 522 CA LEU 71 -4.873 6.839 3.898 1.00 0.00 ATOM 523 CB LEU 71 -4.494 7.277 2.481 1.00 0.00 ATOM 524 CG LEU 71 -3.838 8.653 2.350 1.00 0.00 ATOM 525 CD1 LEU 71 -3.432 8.920 0.909 1.00 0.00 ATOM 526 CD2 LEU 71 -4.798 9.750 2.783 1.00 0.00 ATOM 527 O LEU 71 -6.408 5.326 2.919 1.00 0.00 ATOM 528 C LEU 71 -5.590 5.501 3.792 1.00 0.00 ATOM 529 N GLY 72 -5.271 4.550 4.663 1.00 0.00 ATOM 530 CA GLY 72 -6.017 3.285 4.751 1.00 0.00 ATOM 531 O GLY 72 -6.229 1.074 3.902 1.00 0.00 ATOM 532 C GLY 72 -5.520 2.074 3.970 1.00 0.00 ATOM 533 N ILE 73 -4.314 2.139 3.379 1.00 0.00 ATOM 534 CA ILE 73 -3.704 0.947 2.761 1.00 0.00 ATOM 535 CB ILE 73 -2.306 1.258 2.195 1.00 0.00 ATOM 536 CG1 ILE 73 -2.400 2.316 1.094 1.00 0.00 ATOM 537 CG2 ILE 73 -1.678 0.004 1.606 1.00 0.00 ATOM 538 CD1 ILE 73 -3.256 1.898 -0.082 1.00 0.00 ATOM 539 O ILE 73 -2.994 0.040 4.873 1.00 0.00 ATOM 540 C ILE 73 -3.559 -0.160 3.794 1.00 0.00 ATOM 541 N THR 74 -4.121 -1.313 3.465 1.00 0.00 ATOM 542 CA THR 74 -4.107 -2.475 4.329 1.00 0.00 ATOM 543 CB THR 74 -5.400 -3.300 4.188 1.00 0.00 ATOM 544 CG2 THR 74 -6.616 -2.438 4.489 1.00 0.00 ATOM 545 OG1 THR 74 -5.506 -3.801 2.849 1.00 0.00 ATOM 546 O THR 74 -2.382 -3.211 2.853 1.00 0.00 ATOM 547 C THR 74 -2.906 -3.355 3.941 1.00 0.00 ATOM 548 N LYS 75 -2.483 -4.280 4.834 1.00 0.00 ATOM 549 CA LYS 75 -1.485 -5.292 4.477 1.00 0.00 ATOM 550 CB LYS 75 -1.471 -6.418 5.513 1.00 0.00 ATOM 551 CG LYS 75 -0.378 -7.451 5.291 1.00 0.00 ATOM 552 CD LYS 75 -0.360 -8.485 6.406 1.00 0.00 ATOM 553 CE LYS 75 0.641 -9.592 6.115 1.00 0.00 ATOM 554 NZ LYS 75 0.681 -10.603 7.207 1.00 0.00 ATOM 555 O LYS 75 -0.815 -6.084 2.313 1.00 0.00 ATOM 556 C LYS 75 -1.734 -5.939 3.128 1.00 0.00 ATOM 557 N GLU 76 -2.984 -6.299 2.866 1.00 0.00 ATOM 558 CA GLU 76 -3.308 -7.025 1.641 1.00 0.00 ATOM 559 CB GLU 76 -4.790 -7.404 1.619 1.00 0.00 ATOM 560 CG GLU 76 -5.168 -8.487 2.616 1.00 0.00 ATOM 561 CD GLU 76 -6.661 -8.749 2.653 1.00 0.00 ATOM 562 OE1 GLU 76 -7.408 -8.034 1.953 1.00 0.00 ATOM 563 OE2 GLU 76 -7.084 -9.670 3.383 1.00 0.00 ATOM 564 O GLU 76 -2.486 -6.692 -0.590 1.00 0.00 ATOM 565 C GLU 76 -3.029 -6.205 0.391 1.00 0.00 ATOM 566 N GLU 77 -3.428 -4.943 0.440 1.00 0.00 ATOM 567 CA GLU 77 -3.180 -3.978 -0.657 1.00 0.00 ATOM 568 CB GLU 77 -3.851 -2.637 -0.353 1.00 0.00 ATOM 569 CG GLU 77 -5.368 -2.669 -0.435 1.00 0.00 ATOM 570 CD GLU 77 -6.002 -1.360 -0.010 1.00 0.00 ATOM 571 OE1 GLU 77 -5.260 -0.452 0.420 1.00 0.00 ATOM 572 OE2 GLU 77 -7.242 -1.243 -0.105 1.00 0.00 ATOM 573 O GLU 77 -1.210 -3.596 -2.026 1.00 0.00 ATOM 574 C GLU 77 -1.675 -3.690 -0.890 1.00 0.00 ATOM 575 N ILE 78 -0.933 -3.555 0.206 1.00 0.00 ATOM 576 CA ILE 78 0.513 -3.305 0.169 1.00 0.00 ATOM 577 CB ILE 78 1.096 -3.150 1.586 1.00 0.00 ATOM 578 CG1 ILE 78 0.575 -1.869 2.240 1.00 0.00 ATOM 579 CG2 ILE 78 2.614 -3.082 1.532 1.00 0.00 ATOM 580 CD1 ILE 78 0.882 -1.770 3.718 1.00 0.00 ATOM 581 O ILE 78 2.216 -4.231 -1.248 1.00 0.00 ATOM 582 C ILE 78 1.265 -4.443 -0.506 1.00 0.00 ATOM 583 N ALA 79 0.812 -5.663 -0.243 1.00 0.00 ATOM 584 CA ALA 79 1.422 -6.851 -0.788 1.00 0.00 ATOM 585 CB ALA 79 0.795 -8.095 -0.175 1.00 0.00 ATOM 586 O ALA 79 2.138 -7.305 -3.003 1.00 0.00 ATOM 587 C ALA 79 1.226 -6.902 -2.289 1.00 0.00 ATOM 588 N ASP 80 0.049 -6.487 -2.759 1.00 0.00 ATOM 589 CA ASP 80 -0.252 -6.492 -4.190 1.00 0.00 ATOM 590 CB ASP 80 -1.754 -6.312 -4.423 1.00 0.00 ATOM 591 CG ASP 80 -2.550 -7.554 -4.070 1.00 0.00 ATOM 592 OD1 ASP 80 -1.933 -8.622 -3.882 1.00 0.00 ATOM 593 OD2 ASP 80 -3.793 -7.457 -3.983 1.00 0.00 ATOM 594 O ASP 80 0.845 -5.527 -6.100 1.00 0.00 ATOM 595 C ASP 80 0.464 -5.374 -4.937 1.00 0.00 ATOM 596 N VAL 81 0.628 -4.231 -4.299 1.00 0.00 ATOM 597 CA VAL 81 1.407 -3.133 -4.873 1.00 0.00 ATOM 598 CB VAL 81 1.410 -1.901 -3.950 1.00 0.00 ATOM 599 CG1 VAL 81 2.381 -0.851 -4.466 1.00 0.00 ATOM 600 CG2 VAL 81 0.022 -1.281 -3.883 1.00 0.00 ATOM 601 O VAL 81 3.443 -3.399 -6.161 1.00 0.00 ATOM 602 C VAL 81 2.866 -3.584 -5.084 1.00 0.00 ATOM 603 N LEU 82 3.447 -4.201 -4.063 1.00 0.00 ATOM 604 CA LEU 82 4.807 -4.701 -4.148 1.00 0.00 ATOM 605 CB LEU 82 5.218 -5.361 -2.830 1.00 0.00 ATOM 606 CG LEU 82 5.409 -4.426 -1.634 1.00 0.00 ATOM 607 CD1 LEU 82 5.635 -5.224 -0.358 1.00 0.00 ATOM 608 CD2 LEU 82 6.610 -3.518 -1.847 1.00 0.00 ATOM 609 O LEU 82 5.866 -5.688 -6.077 1.00 0.00 ATOM 610 C LEU 82 4.921 -5.735 -5.264 1.00 0.00 ATOM 611 N ARG 83 3.926 -6.628 -5.357 1.00 0.00 ATOM 612 CA ARG 83 3.898 -7.657 -6.410 1.00 0.00 ATOM 613 CB ARG 83 2.686 -8.574 -6.232 1.00 0.00 ATOM 614 CG ARG 83 2.782 -9.504 -5.034 1.00 0.00 ATOM 615 CD ARG 83 1.517 -10.331 -4.875 1.00 0.00 ATOM 616 NE ARG 83 1.580 -11.211 -3.711 1.00 0.00 ATOM 617 CZ ARG 83 0.580 -11.986 -3.304 1.00 0.00 ATOM 618 NH1 ARG 83 0.730 -12.754 -2.234 1.00 0.00 ATOM 619 NH2 ARG 83 -0.568 -11.990 -3.968 1.00 0.00 ATOM 620 O ARG 83 4.510 -7.468 -8.721 1.00 0.00 ATOM 621 C ARG 83 3.815 -7.049 -7.806 1.00 0.00 ATOM 622 N VAL 84 3.011 -6.007 -7.966 1.00 0.00 ATOM 623 CA VAL 84 2.947 -5.330 -9.231 1.00 0.00 ATOM 624 CB VAL 84 1.834 -4.265 -9.246 1.00 0.00 ATOM 625 CG1 VAL 84 1.907 -3.434 -10.517 1.00 0.00 ATOM 626 CG2 VAL 84 0.466 -4.926 -9.180 1.00 0.00 ATOM 627 O VAL 84 4.711 -4.616 -10.715 1.00 0.00 ATOM 628 C VAL 84 4.267 -4.604 -9.574 1.00 0.00 ATOM 629 N VAL 85 4.867 -3.971 -8.588 1.00 0.00 ATOM 630 CA VAL 85 6.106 -3.240 -8.762 1.00 0.00 ATOM 631 CB VAL 85 6.544 -2.552 -7.456 1.00 0.00 ATOM 632 CG1 VAL 85 7.939 -1.962 -7.606 1.00 0.00 ATOM 633 CG2 VAL 85 5.584 -1.431 -7.095 1.00 0.00 ATOM 634 O VAL 85 7.993 -3.914 -10.127 1.00 0.00 ATOM 635 C VAL 85 7.225 -4.204 -9.199 1.00 0.00 ATOM 636 N LEU 86 7.314 -5.360 -8.552 1.00 0.00 ATOM 637 CA LEU 86 8.318 -6.350 -8.919 1.00 0.00 ATOM 638 CB LEU 86 8.295 -7.525 -7.940 1.00 0.00 ATOM 639 CG LEU 86 8.775 -7.234 -6.517 1.00 0.00 ATOM 640 CD1 LEU 86 8.531 -8.432 -5.611 1.00 0.00 ATOM 641 CD2 LEU 86 10.264 -6.924 -6.505 1.00 0.00 ATOM 642 O LEU 86 9.109 -7.145 -11.049 1.00 0.00 ATOM 643 C LEU 86 8.136 -6.935 -10.294 1.00 0.00 ATOM 644 N LEU 87 6.881 -7.182 -10.630 1.00 0.00 ATOM 645 CA LEU 87 6.518 -7.768 -11.906 1.00 0.00 ATOM 646 CB LEU 87 5.034 -8.139 -11.923 1.00 0.00 ATOM 647 CG LEU 87 4.616 -9.305 -11.026 1.00 0.00 ATOM 648 CD1 LEU 87 3.101 -9.443 -10.994 1.00 0.00 ATOM 649 CD2 LEU 87 5.201 -10.613 -11.537 1.00 0.00 ATOM 650 O LEU 87 7.352 -7.208 -14.048 1.00 0.00 ATOM 651 C LEU 87 6.770 -6.817 -13.043 1.00 0.00 ATOM 652 N THR 88 6.333 -5.560 -12.883 1.00 0.00 ATOM 653 CA THR 88 6.607 -4.507 -13.869 1.00 0.00 ATOM 654 CB THR 88 5.966 -3.169 -13.458 1.00 0.00 ATOM 655 CG2 THR 88 6.295 -2.086 -14.474 1.00 0.00 ATOM 656 OG1 THR 88 4.543 -3.319 -13.386 1.00 0.00 ATOM 657 O THR 88 8.551 -4.100 -15.126 1.00 0.00 ATOM 658 C THR 88 8.088 -4.271 -14.023 1.00 0.00 ATOM 659 N SER 89 8.850 -4.250 -12.923 1.00 0.00 ATOM 660 CA SER 89 10.293 -4.120 -13.062 1.00 0.00 ATOM 661 CB SER 89 10.978 -4.268 -11.702 1.00 0.00 ATOM 662 OG SER 89 10.626 -3.205 -10.834 1.00 0.00 ATOM 663 O SER 89 11.686 -4.935 -14.853 1.00 0.00 ATOM 664 C SER 89 10.848 -5.212 -14.012 1.00 0.00 ATOM 665 N GLY 90 10.361 -6.442 -13.866 1.00 0.00 ATOM 666 CA GLY 90 10.868 -7.584 -14.612 1.00 0.00 ATOM 667 O GLY 90 11.349 -7.619 -16.948 1.00 0.00 ATOM 668 C GLY 90 10.494 -7.476 -16.090 1.00 0.00 ATOM 669 N MET 91 9.233 -7.243 -16.379 1.00 0.00 ATOM 670 CA MET 91 8.781 -7.170 -17.785 1.00 0.00 ATOM 671 CB MET 91 7.255 -7.066 -17.852 1.00 0.00 ATOM 672 CG MET 91 6.527 -8.330 -17.427 1.00 0.00 ATOM 673 SD MET 91 6.933 -9.749 -18.463 1.00 0.00 ATOM 674 CE MET 91 6.168 -9.271 -20.010 1.00 0.00 ATOM 675 O MET 91 9.677 -6.040 -19.723 1.00 0.00 ATOM 676 C MET 91 9.353 -5.964 -18.516 1.00 0.00 ATOM 677 N PRO 92 9.428 -4.828 -17.817 1.00 0.00 ATOM 678 CA PRO 92 10.076 -3.654 -18.369 1.00 0.00 ATOM 679 CB PRO 92 10.046 -2.641 -17.222 1.00 0.00 ATOM 680 CG PRO 92 8.831 -3.004 -16.436 1.00 0.00 ATOM 681 CD PRO 92 8.779 -4.505 -16.417 1.00 0.00 ATOM 682 O PRO 92 11.944 -3.647 -19.898 1.00 0.00 ATOM 683 C PRO 92 11.523 -3.996 -18.797 1.00 0.00 ATOM 684 N ALA 93 12.285 -4.624 -17.884 1.00 0.00 ATOM 685 CA ALA 93 13.660 -5.036 -18.154 1.00 0.00 ATOM 686 CB ALA 93 14.253 -5.731 -16.938 1.00 0.00 ATOM 687 O ALA 93 14.616 -5.893 -20.198 1.00 0.00 ATOM 688 C ALA 93 13.744 -6.016 -19.344 1.00 0.00 TER END