PFRMAT TS TARGET T0517 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 T0517 model 5 Tue May 4 18:13:52 2010 MODEL 5 PARENT N/A ATOM 2 N GLU 2 20.079 5.573 18.047 1.00 0.00 ATOM 3 CA GLU 2 19.876 4.137 18.320 1.00 0.00 ATOM 4 CB GLU 2 20.740 3.689 19.500 1.00 0.00 ATOM 5 CG GLU 2 22.232 3.681 19.210 1.00 0.00 ATOM 6 CD GLU 2 23.056 3.255 20.410 1.00 0.00 ATOM 7 OE1 GLU 2 22.464 3.020 21.484 1.00 0.00 ATOM 8 OE2 GLU 2 24.294 3.157 20.274 1.00 0.00 ATOM 9 O GLU 2 18.072 2.538 18.447 1.00 0.00 ATOM 10 C GLU 2 18.429 3.709 18.618 1.00 0.00 ATOM 11 N ASN 3 17.594 4.650 19.051 1.00 0.00 ATOM 12 CA ASN 3 16.202 4.312 19.336 1.00 0.00 ATOM 13 CB ASN 3 15.883 4.558 20.812 1.00 0.00 ATOM 14 CG ASN 3 14.764 3.671 21.322 1.00 0.00 ATOM 15 ND2 ASN 3 14.407 3.840 22.591 1.00 0.00 ATOM 16 OD1 ASN 3 14.228 2.846 20.583 1.00 0.00 ATOM 17 O ASN 3 14.060 5.248 18.819 1.00 0.00 ATOM 18 C ASN 3 15.219 5.082 18.462 1.00 0.00 ATOM 19 N LYS 4 15.698 5.512 17.296 1.00 0.00 ATOM 20 CA LYS 4 14.973 6.400 16.381 1.00 0.00 ATOM 21 CB LYS 4 15.814 7.636 16.055 1.00 0.00 ATOM 22 CG LYS 4 16.216 8.452 17.274 1.00 0.00 ATOM 23 CD LYS 4 15.000 9.041 17.970 1.00 0.00 ATOM 24 CE LYS 4 15.407 9.921 19.141 1.00 0.00 ATOM 25 NZ LYS 4 14.226 10.460 19.868 1.00 0.00 ATOM 26 O LYS 4 13.949 6.523 14.228 1.00 0.00 ATOM 27 C LYS 4 14.522 5.809 15.043 1.00 0.00 ATOM 28 N LYS 5 14.796 4.523 14.828 1.00 0.00 ATOM 29 CA LYS 5 14.436 3.845 13.572 1.00 0.00 ATOM 30 CB LYS 5 15.693 3.374 12.838 1.00 0.00 ATOM 31 CG LYS 5 15.422 2.740 11.484 1.00 0.00 ATOM 32 CD LYS 5 16.705 2.247 10.837 1.00 0.00 ATOM 33 CE LYS 5 16.444 1.684 9.450 1.00 0.00 ATOM 34 NZ LYS 5 17.631 0.965 8.909 1.00 0.00 ATOM 35 O LYS 5 13.758 1.813 14.661 1.00 0.00 ATOM 36 C LYS 5 13.514 2.664 13.792 1.00 0.00 ATOM 37 N MET 6 12.477 2.597 12.965 1.00 0.00 ATOM 38 CA MET 6 11.632 1.399 12.901 1.00 0.00 ATOM 39 CB MET 6 10.176 1.752 13.208 1.00 0.00 ATOM 40 CG MET 6 9.949 2.285 14.614 1.00 0.00 ATOM 41 SD MET 6 10.172 1.022 15.880 1.00 0.00 ATOM 42 CE MET 6 9.917 1.986 17.369 1.00 0.00 ATOM 43 O MET 6 11.707 1.456 10.522 1.00 0.00 ATOM 44 C MET 6 11.757 0.761 11.529 1.00 0.00 ATOM 45 N ASN 7 11.892 -0.562 11.497 1.00 0.00 ATOM 46 CA ASN 7 11.864 -1.324 10.251 1.00 0.00 ATOM 47 CB ASN 7 13.144 -2.148 10.096 1.00 0.00 ATOM 48 CG ASN 7 14.377 -1.282 9.929 1.00 0.00 ATOM 49 ND2 ASN 7 15.203 -1.224 10.967 1.00 0.00 ATOM 50 OD1 ASN 7 14.584 -0.676 8.878 1.00 0.00 ATOM 51 O ASN 7 10.259 -2.821 11.241 1.00 0.00 ATOM 52 C ASN 7 10.622 -2.202 10.233 1.00 0.00 ATOM 53 N LEU 8 9.940 -2.218 9.092 1.00 0.00 ATOM 54 CA LEU 8 8.827 -3.128 8.930 1.00 0.00 ATOM 55 CB LEU 8 7.541 -2.353 8.633 1.00 0.00 ATOM 56 CG LEU 8 7.091 -1.353 9.701 1.00 0.00 ATOM 57 CD1 LEU 8 5.879 -0.568 9.223 1.00 0.00 ATOM 58 CD2 LEU 8 6.777 -2.065 11.007 1.00 0.00 ATOM 59 O LEU 8 9.468 -3.647 6.701 1.00 0.00 ATOM 60 C LEU 8 9.186 -4.088 7.811 1.00 0.00 ATOM 61 N LEU 9 9.190 -5.388 8.115 1.00 0.00 ATOM 62 CA LEU 9 9.304 -6.401 7.078 1.00 0.00 ATOM 63 CB LEU 9 10.041 -7.633 7.610 1.00 0.00 ATOM 64 CG LEU 9 10.174 -8.813 6.647 1.00 0.00 ATOM 65 CD1 LEU 9 10.903 -8.393 5.379 1.00 0.00 ATOM 66 CD2 LEU 9 10.896 -9.973 7.313 1.00 0.00 ATOM 67 O LEU 9 7.115 -7.382 7.327 1.00 0.00 ATOM 68 C LEU 9 7.888 -6.734 6.614 1.00 0.00 ATOM 69 N LEU 10 7.536 -6.241 5.434 1.00 0.00 ATOM 70 CA LEU 10 6.186 -6.369 4.915 1.00 0.00 ATOM 71 CB LEU 10 5.758 -5.079 4.212 1.00 0.00 ATOM 72 CG LEU 10 4.356 -5.075 3.597 1.00 0.00 ATOM 73 CD1 LEU 10 3.296 -5.252 4.673 1.00 0.00 ATOM 74 CD2 LEU 10 4.114 -3.791 2.821 1.00 0.00 ATOM 75 O LEU 10 6.631 -7.499 2.835 1.00 0.00 ATOM 76 C LEU 10 6.139 -7.566 3.964 1.00 0.00 ATOM 77 N PHE 11 5.552 -8.664 4.438 1.00 0.00 ATOM 78 CA PHE 11 5.395 -9.870 3.617 1.00 0.00 ATOM 79 CB PHE 11 5.921 -11.099 4.362 1.00 0.00 ATOM 80 CG PHE 11 5.144 -11.434 5.603 1.00 0.00 ATOM 81 CD1 PHE 11 4.007 -12.220 5.533 1.00 0.00 ATOM 82 CD2 PHE 11 5.549 -10.965 6.839 1.00 0.00 ATOM 83 CE1 PHE 11 3.291 -12.529 6.674 1.00 0.00 ATOM 84 CE2 PHE 11 4.835 -11.273 7.981 1.00 0.00 ATOM 85 CZ PHE 11 3.710 -12.051 7.903 1.00 0.00 ATOM 86 O PHE 11 3.685 -10.754 2.207 1.00 0.00 ATOM 87 C PHE 11 3.949 -10.099 3.214 1.00 0.00 ATOM 88 N SER 12 3.013 -9.589 4.006 1.00 0.00 ATOM 89 CA SER 12 1.599 -9.953 3.822 1.00 0.00 ATOM 90 CB SER 12 0.776 -9.544 5.045 1.00 0.00 ATOM 91 OG SER 12 -0.601 -9.810 4.845 1.00 0.00 ATOM 92 O SER 12 1.331 -8.219 2.170 1.00 0.00 ATOM 93 C SER 12 0.971 -9.335 2.577 1.00 0.00 ATOM 94 N GLY 13 0.021 -10.057 1.985 1.00 0.00 ATOM 95 CA GLY 13 -0.818 -9.459 0.957 1.00 0.00 ATOM 96 O GLY 13 -3.152 -9.064 0.627 1.00 0.00 ATOM 97 C GLY 13 -2.257 -9.277 1.439 1.00 0.00 ATOM 98 N ASP 14 -2.455 -9.309 2.759 1.00 0.00 ATOM 99 CA ASP 14 -3.774 -9.042 3.325 1.00 0.00 ATOM 100 CB ASP 14 -3.856 -9.566 4.761 1.00 0.00 ATOM 101 CG ASP 14 -5.230 -9.373 5.371 1.00 0.00 ATOM 102 OD1 ASP 14 -6.047 -8.640 4.776 1.00 0.00 ATOM 103 OD2 ASP 14 -5.490 -9.955 6.445 1.00 0.00 ATOM 104 O ASP 14 -3.415 -6.767 3.990 1.00 0.00 ATOM 105 C ASP 14 -4.045 -7.544 3.269 1.00 0.00 ATOM 106 N TYR 15 -4.964 -7.125 2.406 1.00 0.00 ATOM 107 CA TYR 15 -5.234 -5.692 2.230 1.00 0.00 ATOM 108 CB TYR 15 -6.248 -5.472 1.106 1.00 0.00 ATOM 109 CG TYR 15 -6.579 -4.018 0.856 1.00 0.00 ATOM 110 CD1 TYR 15 -5.711 -3.205 0.138 1.00 0.00 ATOM 111 CD2 TYR 15 -7.758 -3.463 1.338 1.00 0.00 ATOM 112 CE1 TYR 15 -6.006 -1.875 -0.095 1.00 0.00 ATOM 113 CE2 TYR 15 -8.069 -2.136 1.114 1.00 0.00 ATOM 114 CZ TYR 15 -7.179 -1.341 0.390 1.00 0.00 ATOM 115 OH TYR 15 -7.473 -0.018 0.160 1.00 0.00 ATOM 116 O TYR 15 -5.365 -3.885 3.787 1.00 0.00 ATOM 117 C TYR 15 -5.746 -5.016 3.501 1.00 0.00 ATOM 118 N ASP 16 -6.575 -5.708 4.287 1.00 0.00 ATOM 119 CA ASP 16 -7.079 -5.109 5.529 1.00 0.00 ATOM 120 CB ASP 16 -8.034 -6.071 6.240 1.00 0.00 ATOM 121 CG ASP 16 -9.442 -6.011 5.683 1.00 0.00 ATOM 122 OD1 ASP 16 -9.772 -5.011 5.009 1.00 0.00 ATOM 123 OD2 ASP 16 -10.216 -6.961 5.920 1.00 0.00 ATOM 124 O ASP 16 -5.911 -3.643 7.021 1.00 0.00 ATOM 125 C ASP 16 -5.930 -4.734 6.445 1.00 0.00 ATOM 126 N LYS 17 -4.951 -5.627 6.562 1.00 0.00 ATOM 127 CA LYS 17 -3.795 -5.340 7.405 1.00 0.00 ATOM 128 CB LYS 17 -2.999 -6.619 7.675 1.00 0.00 ATOM 129 CG LYS 17 -3.706 -7.609 8.586 1.00 0.00 ATOM 130 CD LYS 17 -2.866 -8.858 8.801 1.00 0.00 ATOM 131 CE LYS 17 -3.572 -9.847 9.714 1.00 0.00 ATOM 132 NZ LYS 17 -2.779 -11.095 9.899 1.00 0.00 ATOM 133 O LYS 17 -2.362 -3.409 7.491 1.00 0.00 ATOM 134 C LYS 17 -2.870 -4.282 6.785 1.00 0.00 ATOM 135 N ALA 18 -2.683 -4.341 5.468 1.00 0.00 ATOM 136 CA ALA 18 -1.854 -3.333 4.796 1.00 0.00 ATOM 137 CB ALA 18 -1.764 -3.626 3.307 1.00 0.00 ATOM 138 O ALA 18 -1.639 -1.039 5.386 1.00 0.00 ATOM 139 C ALA 18 -2.394 -1.929 5.013 1.00 0.00 ATOM 140 N LEU 19 -3.685 -1.719 4.786 1.00 0.00 ATOM 141 CA LEU 19 -4.195 -0.370 4.844 1.00 0.00 ATOM 142 CB LEU 19 -5.535 -0.272 4.113 1.00 0.00 ATOM 143 CG LEU 19 -6.186 1.113 4.070 1.00 0.00 ATOM 144 CD1 LEU 19 -5.315 2.094 3.302 1.00 0.00 ATOM 145 CD2 LEU 19 -7.572 1.036 3.449 1.00 0.00 ATOM 146 O LEU 19 -3.855 1.150 6.691 1.00 0.00 ATOM 147 C LEU 19 -4.342 0.073 6.297 1.00 0.00 ATOM 151 N ILE 24 -0.500 -1.427 8.732 1.00 0.00 ATOM 152 CA ILE 24 0.840 -1.133 8.287 1.00 0.00 ATOM 153 CB ILE 24 1.292 -2.101 7.178 1.00 0.00 ATOM 154 CG1 ILE 24 1.366 -3.531 7.716 1.00 0.00 ATOM 155 CG2 ILE 24 2.618 -1.649 6.584 1.00 0.00 ATOM 156 CD1 ILE 24 2.366 -3.710 8.838 1.00 0.00 ATOM 157 O ILE 24 1.791 1.069 8.329 1.00 0.00 ATOM 158 C ILE 24 0.982 0.307 7.786 1.00 0.00 ATOM 159 N ALA 25 0.200 0.686 6.775 1.00 0.00 ATOM 160 CA ALA 25 0.340 2.021 6.190 1.00 0.00 ATOM 161 CB ALA 25 -0.474 2.127 4.909 1.00 0.00 ATOM 162 O ALA 25 0.575 4.153 7.271 1.00 0.00 ATOM 163 C ALA 25 -0.086 3.112 7.162 1.00 0.00 ATOM 164 N ASN 26 -1.175 2.874 7.890 1.00 0.00 ATOM 165 CA ASN 26 -1.646 3.884 8.821 1.00 0.00 ATOM 166 CB ASN 26 -2.986 3.468 9.431 1.00 0.00 ATOM 167 CG ASN 26 -4.134 3.586 8.448 1.00 0.00 ATOM 168 ND2 ASN 26 -5.230 2.891 8.735 1.00 0.00 ATOM 169 OD1 ASN 26 -4.036 4.294 7.447 1.00 0.00 ATOM 170 O ASN 26 -0.343 5.333 10.257 1.00 0.00 ATOM 171 C ASN 26 -0.627 4.163 9.929 1.00 0.00 ATOM 172 N ALA 27 -0.035 3.113 10.491 1.00 0.00 ATOM 173 CA ALA 27 0.936 3.348 11.555 1.00 0.00 ATOM 174 CB ALA 27 1.261 2.046 12.273 1.00 0.00 ATOM 175 O ALA 27 2.769 4.901 11.604 1.00 0.00 ATOM 176 C ALA 27 2.216 3.980 10.998 1.00 0.00 ATOM 177 N ALA 28 2.668 3.516 9.841 1.00 0.00 ATOM 178 CA ALA 28 3.910 4.035 9.287 1.00 0.00 ATOM 179 CB ALA 28 4.323 3.230 8.064 1.00 0.00 ATOM 180 O ALA 28 4.619 6.368 9.288 1.00 0.00 ATOM 181 C ALA 28 3.763 5.519 8.926 1.00 0.00 ATOM 182 N ARG 29 2.660 5.852 8.256 1.00 0.00 ATOM 183 CA ARG 29 2.437 7.243 7.833 1.00 0.00 ATOM 184 CB ARG 29 1.187 7.342 6.955 1.00 0.00 ATOM 185 CG ARG 29 0.936 8.729 6.387 1.00 0.00 ATOM 186 CD ARG 29 -0.321 8.757 5.531 1.00 0.00 ATOM 187 NE ARG 29 -0.204 7.891 4.360 1.00 0.00 ATOM 188 CZ ARG 29 0.400 8.243 3.229 1.00 0.00 ATOM 189 NH1 ARG 29 0.458 7.389 2.217 1.00 0.00 ATOM 190 NH2 ARG 29 0.943 9.446 3.115 1.00 0.00 ATOM 191 O ARG 29 2.919 9.267 9.046 1.00 0.00 ATOM 192 C ARG 29 2.302 8.186 9.015 1.00 0.00 ATOM 193 N GLU 30 1.493 7.790 9.994 1.00 0.00 ATOM 194 CA GLU 30 1.292 8.651 11.157 1.00 0.00 ATOM 195 CB GLU 30 0.164 8.107 12.038 1.00 0.00 ATOM 196 CG GLU 30 -1.216 8.211 11.411 1.00 0.00 ATOM 197 CD GLU 30 -2.299 7.610 12.284 1.00 0.00 ATOM 198 OE1 GLU 30 -1.955 6.945 13.283 1.00 0.00 ATOM 199 OE2 GLU 30 -3.493 7.803 11.970 1.00 0.00 ATOM 200 O GLU 30 2.912 9.877 12.436 1.00 0.00 ATOM 201 C GLU 30 2.571 8.781 11.967 1.00 0.00 ATOM 202 N MET 31 3.286 7.667 12.126 1.00 0.00 ATOM 203 CA MET 31 4.562 7.687 12.839 1.00 0.00 ATOM 204 CB MET 31 5.186 6.290 12.863 1.00 0.00 ATOM 205 CG MET 31 6.445 6.187 13.709 1.00 0.00 ATOM 206 SD MET 31 7.138 4.522 13.723 1.00 0.00 ATOM 207 CE MET 31 5.901 3.649 14.679 1.00 0.00 ATOM 208 O MET 31 6.207 9.427 12.944 1.00 0.00 ATOM 209 C MET 31 5.534 8.671 12.216 1.00 0.00 ATOM 210 N GLU 32 6.408 12.295 13.905 1.00 0.00 ATOM 211 CA GLU 32 7.737 12.258 14.506 1.00 0.00 ATOM 212 CB GLU 32 8.104 13.628 15.079 1.00 0.00 ATOM 213 CG GLU 32 7.256 14.050 16.267 1.00 0.00 ATOM 214 CD GLU 32 5.958 14.714 15.850 1.00 0.00 ATOM 215 OE1 GLU 32 5.586 14.597 14.664 1.00 0.00 ATOM 216 OE2 GLU 32 5.315 15.354 16.710 1.00 0.00 ATOM 217 O GLU 32 8.816 11.264 16.391 1.00 0.00 ATOM 218 C GLU 32 7.873 11.216 15.599 1.00 0.00 ATOM 219 N ILE 33 6.951 10.249 15.628 1.00 0.00 ATOM 220 CA ILE 33 7.063 9.149 16.587 1.00 0.00 ATOM 221 CB ILE 33 5.806 8.260 16.576 1.00 0.00 ATOM 222 CG1 ILE 33 4.579 9.065 17.007 1.00 0.00 ATOM 223 CG2 ILE 33 6.014 7.031 17.448 1.00 0.00 ATOM 224 CD1 ILE 33 3.268 8.340 16.796 1.00 0.00 ATOM 225 O ILE 33 8.930 7.781 17.240 1.00 0.00 ATOM 226 C ILE 33 8.300 8.298 16.311 1.00 0.00 ATOM 227 N GLU 34 12.984 7.727 11.637 1.00 0.00 ATOM 228 CA GLU 34 13.323 6.954 10.428 1.00 0.00 ATOM 229 CB GLU 34 14.802 6.564 10.439 1.00 0.00 ATOM 230 CG GLU 34 15.262 5.837 9.186 1.00 0.00 ATOM 231 CD GLU 34 16.738 5.497 9.218 1.00 0.00 ATOM 232 OE1 GLU 34 17.392 5.784 10.244 1.00 0.00 ATOM 233 OE2 GLU 34 17.242 4.944 8.218 1.00 0.00 ATOM 234 O GLU 34 12.302 5.058 11.370 1.00 0.00 ATOM 235 C GLU 34 12.434 5.746 10.374 1.00 0.00 ATOM 236 N VAL 35 11.847 5.489 9.202 1.00 0.00 ATOM 237 CA VAL 35 11.057 4.273 9.006 1.00 0.00 ATOM 238 CB VAL 35 9.547 4.564 9.080 1.00 0.00 ATOM 239 CG1 VAL 35 8.748 3.288 8.858 1.00 0.00 ATOM 240 CG2 VAL 35 9.191 5.195 10.416 1.00 0.00 ATOM 241 O VAL 35 11.412 4.358 6.634 1.00 0.00 ATOM 242 C VAL 35 11.445 3.677 7.668 1.00 0.00 ATOM 243 N THR 36 11.873 2.422 7.717 1.00 0.00 ATOM 244 CA THR 36 12.222 1.668 6.523 1.00 0.00 ATOM 245 CB THR 36 13.679 1.170 6.576 1.00 0.00 ATOM 246 CG2 THR 36 14.019 0.384 5.320 1.00 0.00 ATOM 247 OG1 THR 36 14.566 2.291 6.669 1.00 0.00 ATOM 248 O THR 36 11.045 -0.255 7.319 1.00 0.00 ATOM 249 C THR 36 11.271 0.488 6.360 1.00 0.00 ATOM 250 N ILE 37 10.743 0.310 5.153 1.00 0.00 ATOM 251 CA ILE 37 9.832 -0.797 4.881 1.00 0.00 ATOM 252 CB ILE 37 8.456 -0.293 4.408 1.00 0.00 ATOM 253 CG1 ILE 37 7.817 0.595 5.479 1.00 0.00 ATOM 254 CG2 ILE 37 7.560 -1.464 4.034 1.00 0.00 ATOM 255 CD1 ILE 37 6.478 1.171 5.073 1.00 0.00 ATOM 256 O ILE 37 10.946 -1.220 2.822 1.00 0.00 ATOM 257 C ILE 37 10.477 -1.700 3.846 1.00 0.00 ATOM 258 N PHE 38 10.512 -2.995 4.146 1.00 0.00 ATOM 259 CA PHE 38 11.083 -3.999 3.244 1.00 0.00 ATOM 260 CB PHE 38 12.054 -4.909 4.000 1.00 0.00 ATOM 261 CG PHE 38 13.275 -4.200 4.511 1.00 0.00 ATOM 262 CD1 PHE 38 13.247 -3.522 5.717 1.00 0.00 ATOM 263 CD2 PHE 38 14.454 -4.211 3.786 1.00 0.00 ATOM 264 CE1 PHE 38 14.372 -2.869 6.186 1.00 0.00 ATOM 265 CE2 PHE 38 15.578 -3.559 4.255 1.00 0.00 ATOM 266 CZ PHE 38 15.540 -2.891 5.450 1.00 0.00 ATOM 267 O PHE 38 9.167 -5.433 3.338 1.00 0.00 ATOM 268 C PHE 38 9.930 -4.792 2.626 1.00 0.00 ATOM 269 N CYS 39 9.817 -4.726 1.305 1.00 0.00 ATOM 270 CA CYS 39 8.823 -5.503 0.569 1.00 0.00 ATOM 271 CB CYS 39 8.324 -4.721 -0.648 1.00 0.00 ATOM 272 SG CYS 39 7.063 -5.577 -1.621 1.00 0.00 ATOM 273 O CYS 39 10.347 -6.869 -0.662 1.00 0.00 ATOM 274 C CYS 39 9.429 -6.830 0.151 1.00 0.00 ATOM 275 N ALA 40 8.919 -7.934 0.695 1.00 0.00 ATOM 276 CA ALA 40 9.543 -9.225 0.426 1.00 0.00 ATOM 277 CB ALA 40 10.779 -9.407 1.295 1.00 0.00 ATOM 278 O ALA 40 8.053 -10.456 1.808 1.00 0.00 ATOM 279 C ALA 40 8.511 -10.306 0.680 1.00 0.00 ATOM 280 N PHE 41 8.176 -11.073 -0.358 1.00 0.00 ATOM 281 CA PHE 41 7.148 -12.125 -0.238 1.00 0.00 ATOM 282 CB PHE 41 6.789 -12.359 1.231 1.00 0.00 ATOM 283 CG PHE 41 7.912 -12.935 2.044 1.00 0.00 ATOM 284 CD1 PHE 41 8.761 -12.110 2.762 1.00 0.00 ATOM 285 CD2 PHE 41 8.120 -14.302 2.093 1.00 0.00 ATOM 286 CE1 PHE 41 9.794 -12.640 3.510 1.00 0.00 ATOM 287 CE2 PHE 41 9.153 -14.833 2.842 1.00 0.00 ATOM 288 CZ PHE 41 9.988 -14.009 3.548 1.00 0.00 ATOM 289 O PHE 41 5.978 -11.113 -2.042 1.00 0.00 ATOM 290 C PHE 41 5.898 -11.784 -1.021 1.00 0.00 ATOM 291 N TRP 42 4.739 -12.237 -0.532 1.00 0.00 ATOM 292 CA TRP 42 3.459 -12.061 -1.240 1.00 0.00 ATOM 293 CB TRP 42 2.315 -12.691 -0.442 1.00 0.00 ATOM 294 CG TRP 42 2.342 -14.188 -0.433 1.00 0.00 ATOM 295 CD1 TRP 42 2.657 -14.996 0.622 1.00 0.00 ATOM 296 CD2 TRP 42 2.043 -15.058 -1.532 1.00 0.00 ATOM 297 CE2 TRP 42 2.197 -16.379 -1.070 1.00 0.00 ATOM 298 CE3 TRP 42 1.661 -14.850 -2.860 1.00 0.00 ATOM 299 NE1 TRP 42 2.572 -16.317 0.249 1.00 0.00 ATOM 300 CZ2 TRP 42 1.983 -17.485 -1.890 1.00 0.00 ATOM 301 CZ3 TRP 42 1.449 -15.950 -3.669 1.00 0.00 ATOM 302 CH2 TRP 42 1.609 -17.252 -3.184 1.00 0.00 ATOM 303 O TRP 42 2.561 -10.207 -2.519 1.00 0.00 ATOM 304 C TRP 42 3.155 -10.575 -1.504 1.00 0.00 ATOM 305 N GLY 43 3.619 -9.728 -0.596 1.00 0.00 ATOM 306 CA GLY 43 3.457 -8.284 -0.733 1.00 0.00 ATOM 307 O GLY 43 3.463 -6.677 -2.508 1.00 0.00 ATOM 308 C GLY 43 3.992 -7.678 -2.030 1.00 0.00 ATOM 309 N LEU 44 5.051 -8.269 -2.583 1.00 0.00 ATOM 310 CA LEU 44 5.656 -7.724 -3.786 1.00 0.00 ATOM 311 CB LEU 44 6.954 -8.464 -4.117 1.00 0.00 ATOM 312 CG LEU 44 7.809 -7.867 -5.236 1.00 0.00 ATOM 313 CD1 LEU 44 9.233 -8.397 -5.165 1.00 0.00 ATOM 314 CD2 LEU 44 7.200 -8.167 -6.597 1.00 0.00 ATOM 315 O LEU 44 4.523 -6.848 -5.723 1.00 0.00 ATOM 316 C LEU 44 4.676 -7.807 -4.961 1.00 0.00 ATOM 317 N LEU 45 3.979 -8.937 -5.053 1.00 0.00 ATOM 318 CA LEU 45 2.940 -9.123 -6.076 1.00 0.00 ATOM 319 CB LEU 45 2.444 -10.570 -6.079 1.00 0.00 ATOM 320 CG LEU 45 1.383 -10.921 -7.124 1.00 0.00 ATOM 321 CD1 LEU 45 1.904 -10.661 -8.529 1.00 0.00 ATOM 322 CD2 LEU 45 0.946 -12.370 -6.982 1.00 0.00 ATOM 323 O LEU 45 1.247 -7.584 -6.784 1.00 0.00 ATOM 324 C LEU 45 1.780 -8.164 -5.837 1.00 0.00 ATOM 325 N LEU 46 1.391 -7.980 -4.574 1.00 0.00 ATOM 326 CA LEU 46 0.304 -7.059 -4.258 1.00 0.00 ATOM 327 CB LEU 46 0.010 -7.071 -2.756 1.00 0.00 ATOM 328 CG LEU 46 -1.043 -6.077 -2.263 1.00 0.00 ATOM 329 CD1 LEU 46 -2.422 -6.453 -2.779 1.00 0.00 ATOM 330 CD2 LEU 46 -1.046 -6.007 -0.743 1.00 0.00 ATOM 331 O LEU 46 -0.196 -4.964 -5.359 1.00 0.00 ATOM 332 C LEU 46 0.616 -5.626 -4.710 1.00 0.00 ATOM 333 N LEU 47 1.788 -5.130 -4.336 1.00 0.00 ATOM 334 CA LEU 47 2.171 -3.767 -4.691 1.00 0.00 ATOM 335 CB LEU 47 3.515 -3.406 -4.057 1.00 0.00 ATOM 336 CG LEU 47 4.036 -1.994 -4.331 1.00 0.00 ATOM 337 CD1 LEU 47 3.063 -0.950 -3.803 1.00 0.00 ATOM 338 CD2 LEU 47 5.410 -1.797 -3.709 1.00 0.00 ATOM 339 O LEU 47 1.810 -2.577 -6.740 1.00 0.00 ATOM 340 C LEU 47 2.238 -3.606 -6.205 1.00 0.00 ATOM 341 N ARG 48 2.757 -4.622 -6.901 1.00 0.00 ATOM 342 CA ARG 48 2.918 -4.526 -8.345 1.00 0.00 ATOM 343 CB ARG 48 3.697 -5.731 -8.879 1.00 0.00 ATOM 344 CG ARG 48 5.162 -5.750 -8.477 1.00 0.00 ATOM 345 CD ARG 48 5.946 -4.665 -9.196 1.00 0.00 ATOM 346 NE ARG 48 5.947 -4.861 -10.645 1.00 0.00 ATOM 347 CZ ARG 48 6.843 -5.590 -11.299 1.00 0.00 ATOM 348 NH1 ARG 48 6.765 -5.710 -12.618 1.00 0.00 ATOM 349 NH2 ARG 48 7.816 -6.200 -10.635 1.00 0.00 ATOM 350 O ARG 48 1.516 -3.809 -10.133 1.00 0.00 ATOM 351 C ARG 48 1.592 -4.425 -9.074 1.00 0.00 ATOM 352 N ASP 49 0.566 -5.051 -8.498 1.00 0.00 ATOM 353 CA ASP 49 -0.690 -5.256 -9.195 1.00 0.00 ATOM 354 CB ASP 49 -1.118 -6.722 -9.108 1.00 0.00 ATOM 355 CG ASP 49 -0.161 -7.651 -9.828 1.00 0.00 ATOM 356 OD1 ASP 49 0.525 -7.188 -10.765 1.00 0.00 ATOM 357 OD2 ASP 49 -0.096 -8.841 -9.457 1.00 0.00 ATOM 358 O ASP 49 -2.863 -4.292 -9.437 1.00 0.00 ATOM 359 C ASP 49 -1.871 -4.408 -8.717 1.00 0.00 ATOM 360 N PRO 50 -1.779 -3.828 -7.523 1.00 0.00 ATOM 361 CA PRO 50 -2.953 -3.192 -6.928 1.00 0.00 ATOM 362 CB PRO 50 -3.037 -3.803 -5.528 1.00 0.00 ATOM 363 CG PRO 50 -2.308 -5.099 -5.642 1.00 0.00 ATOM 364 CD PRO 50 -1.178 -4.859 -6.604 1.00 0.00 ATOM 365 O PRO 50 -1.988 -1.173 -6.083 1.00 0.00 ATOM 366 C PRO 50 -2.796 -1.685 -6.865 1.00 0.00 ATOM 367 N GLU 51 -3.591 -0.981 -7.671 1.00 0.00 ATOM 368 CA GLU 51 -3.446 0.467 -7.764 1.00 0.00 ATOM 369 CB GLU 51 -4.339 1.026 -8.874 1.00 0.00 ATOM 370 CG GLU 51 -3.893 0.651 -10.277 1.00 0.00 ATOM 371 CD GLU 51 -4.828 1.184 -11.347 1.00 0.00 ATOM 372 OE1 GLU 51 -5.989 1.497 -11.018 1.00 0.00 ATOM 373 OE2 GLU 51 -4.395 1.287 -12.514 1.00 0.00 ATOM 374 O GLU 51 -3.140 2.207 -6.171 1.00 0.00 ATOM 375 C GLU 51 -3.766 1.190 -6.461 1.00 0.00 ATOM 376 N LYS 52 -4.717 0.673 -5.671 1.00 0.00 ATOM 377 CA LYS 52 -5.011 1.289 -4.370 1.00 0.00 ATOM 378 CB LYS 52 -6.238 0.632 -3.733 1.00 0.00 ATOM 379 CG LYS 52 -7.550 0.961 -4.428 1.00 0.00 ATOM 380 CD LYS 52 -8.721 0.262 -3.755 1.00 0.00 ATOM 381 CE LYS 52 -10.030 0.578 -4.459 1.00 0.00 ATOM 382 NZ LYS 52 -11.181 -0.134 -3.837 1.00 0.00 ATOM 383 O LYS 52 -3.493 2.145 -2.719 1.00 0.00 ATOM 384 C LYS 52 -3.812 1.188 -3.424 1.00 0.00 ATOM 388 N LEU 103 -3.141 0.032 -3.424 1.00 0.00 ATOM 389 CA LEU 103 -1.908 -0.116 -2.635 1.00 0.00 ATOM 390 CB LEU 103 -1.419 -1.565 -2.673 1.00 0.00 ATOM 391 CG LEU 103 -0.147 -1.872 -1.879 1.00 0.00 ATOM 392 CD1 LEU 103 -0.350 -1.567 -0.402 1.00 0.00 ATOM 393 CD2 LEU 103 0.267 -3.322 -2.068 1.00 0.00 ATOM 394 O LEU 103 -0.085 1.450 -2.386 1.00 0.00 ATOM 395 C LEU 103 -0.813 0.840 -3.163 1.00 0.00 ATOM 396 N SER 104 -0.692 0.975 -4.483 1.00 0.00 ATOM 397 CA SER 104 0.294 1.912 -5.049 1.00 0.00 ATOM 398 CB SER 104 0.245 1.886 -6.578 1.00 0.00 ATOM 399 OG SER 104 0.665 0.628 -7.080 1.00 0.00 ATOM 400 O SER 104 1.055 4.052 -4.304 1.00 0.00 ATOM 401 C SER 104 0.091 3.345 -4.566 1.00 0.00 ATOM 402 N ASP 105 -1.162 3.780 -4.459 1.00 0.00 ATOM 403 CA ASP 105 -1.436 5.106 -3.920 1.00 0.00 ATOM 404 CB ASP 105 -2.941 5.374 -3.898 1.00 0.00 ATOM 405 CG ASP 105 -3.516 5.590 -5.284 1.00 0.00 ATOM 406 OD1 ASP 105 -2.727 5.807 -6.227 1.00 0.00 ATOM 407 OD2 ASP 105 -4.757 5.543 -5.426 1.00 0.00 ATOM 408 O ASP 105 -0.262 6.309 -2.229 1.00 0.00 ATOM 409 C ASP 105 -0.859 5.270 -2.521 1.00 0.00 ATOM 410 N LEU 106 -1.014 4.255 -1.664 1.00 0.00 ATOM 411 CA LEU 106 -0.414 4.306 -0.321 1.00 0.00 ATOM 412 CB LEU 106 -0.856 3.100 0.510 1.00 0.00 ATOM 413 CG LEU 106 -2.327 3.067 0.928 1.00 0.00 ATOM 414 CD1 LEU 106 -2.670 1.739 1.586 1.00 0.00 ATOM 415 CD2 LEU 106 -2.647 4.220 1.867 1.00 0.00 ATOM 416 O LEU 106 1.735 5.095 0.366 1.00 0.00 ATOM 417 C LEU 106 1.107 4.358 -0.385 1.00 0.00 ATOM 418 N LEU 107 1.698 3.564 -1.277 1.00 0.00 ATOM 419 CA LEU 107 3.153 3.544 -1.453 1.00 0.00 ATOM 420 CB LEU 107 3.544 2.578 -2.575 1.00 0.00 ATOM 421 CG LEU 107 5.036 2.489 -2.902 1.00 0.00 ATOM 422 CD1 LEU 107 5.822 1.994 -1.697 1.00 0.00 ATOM 423 CD2 LEU 107 5.271 1.576 -4.096 1.00 0.00 ATOM 424 O LEU 107 4.644 5.405 -1.166 1.00 0.00 ATOM 425 C LEU 107 3.660 4.952 -1.752 1.00 0.00 ATOM 426 N SER 108 2.976 5.633 -2.677 1.00 0.00 ATOM 427 CA SER 108 3.384 6.975 -3.073 1.00 0.00 ATOM 428 CB SER 108 2.535 7.468 -4.246 1.00 0.00 ATOM 429 OG SER 108 2.779 6.697 -5.411 1.00 0.00 ATOM 430 O SER 108 4.187 8.798 -1.729 1.00 0.00 ATOM 431 C SER 108 3.285 7.970 -1.916 1.00 0.00 ATOM 432 N GLY 109 2.217 7.871 -1.124 1.00 0.00 ATOM 433 CA GLY 109 2.069 8.752 0.039 1.00 0.00 ATOM 434 O GLY 109 3.726 9.402 1.639 1.00 0.00 ATOM 435 C GLY 109 3.163 8.469 1.053 1.00 0.00 ATOM 436 N ALA 110 3.469 7.191 1.263 1.00 0.00 ATOM 437 CA ALA 110 4.521 6.859 2.220 1.00 0.00 ATOM 438 CB ALA 110 4.605 5.353 2.416 1.00 0.00 ATOM 439 O ALA 110 6.590 8.025 2.534 1.00 0.00 ATOM 440 C ALA 110 5.861 7.412 1.751 1.00 0.00 ATOM 441 N ARG 111 6.174 7.228 0.472 1.00 0.00 ATOM 442 CA ARG 111 7.442 7.765 -0.040 1.00 0.00 ATOM 443 CB ARG 111 7.642 7.363 -1.502 1.00 0.00 ATOM 444 CG ARG 111 7.926 5.883 -1.705 1.00 0.00 ATOM 445 CD ARG 111 9.251 5.484 -1.078 1.00 0.00 ATOM 446 NE ARG 111 10.386 6.108 -1.754 1.00 0.00 ATOM 447 CZ ARG 111 11.572 6.313 -1.189 1.00 0.00 ATOM 448 NH1 ARG 111 12.545 6.888 -1.883 1.00 0.00 ATOM 449 NH2 ARG 111 11.780 5.944 0.067 1.00 0.00 ATOM 450 O ARG 111 8.577 9.818 0.426 1.00 0.00 ATOM 451 C ARG 111 7.518 9.285 0.083 1.00 0.00 ATOM 452 N LYS 112 6.402 9.965 -0.160 1.00 0.00 ATOM 453 CA LYS 112 6.362 11.433 -0.068 1.00 0.00 ATOM 454 CB LYS 112 5.013 11.964 -0.556 1.00 0.00 ATOM 455 CG LYS 112 4.796 11.827 -2.053 1.00 0.00 ATOM 456 CD LYS 112 3.438 12.369 -2.467 1.00 0.00 ATOM 457 CE LYS 112 3.227 12.242 -3.967 1.00 0.00 ATOM 458 NZ LYS 112 1.882 12.733 -4.382 1.00 0.00 ATOM 459 O LYS 112 7.183 12.971 1.579 1.00 0.00 ATOM 460 C LYS 112 6.626 11.895 1.361 1.00 0.00 ATOM 461 N LYS 113 6.217 11.089 2.342 1.00 0.00 ATOM 462 CA LYS 113 6.417 11.470 3.747 1.00 0.00 ATOM 463 CB LYS 113 5.462 10.692 4.655 1.00 0.00 ATOM 464 CG LYS 113 3.990 10.934 4.360 1.00 0.00 ATOM 465 CD LYS 113 3.604 12.379 4.626 1.00 0.00 ATOM 466 CE LYS 113 2.115 12.600 4.419 1.00 0.00 ATOM 467 NZ LYS 113 1.734 14.028 4.600 1.00 0.00 ATOM 468 O LYS 113 8.209 11.660 5.322 1.00 0.00 ATOM 469 C LYS 113 7.858 11.249 4.223 1.00 0.00 ATOM 470 N GLU 114 8.676 10.571 3.422 1.00 0.00 ATOM 471 CA GLU 114 10.058 10.298 3.804 1.00 0.00 ATOM 472 CB GLU 114 10.537 11.316 4.841 1.00 0.00 ATOM 473 CG GLU 114 10.586 12.746 4.330 1.00 0.00 ATOM 474 CD GLU 114 11.080 13.723 5.380 1.00 0.00 ATOM 475 OE1 GLU 114 11.323 13.291 6.526 1.00 0.00 ATOM 476 OE2 GLU 114 11.223 14.920 5.056 1.00 0.00 ATOM 477 O GLU 114 11.447 8.631 4.782 1.00 0.00 ATOM 478 C GLU 114 10.322 8.917 4.363 1.00 0.00 ATOM 479 N VAL 115 9.295 8.064 4.393 1.00 0.00 ATOM 480 CA VAL 115 9.502 6.640 4.674 1.00 0.00 ATOM 481 CB VAL 115 8.165 5.904 4.874 1.00 0.00 ATOM 482 CG1 VAL 115 8.397 4.408 5.025 1.00 0.00 ATOM 483 CG2 VAL 115 7.429 6.456 6.086 1.00 0.00 ATOM 484 O VAL 115 10.027 6.379 2.353 1.00 0.00 ATOM 485 C VAL 115 10.303 6.057 3.508 1.00 0.00 ATOM 486 N LYS 116 11.319 5.247 3.804 1.00 0.00 ATOM 487 CA LYS 116 12.074 4.591 2.735 1.00 0.00 ATOM 488 CB LYS 116 13.552 4.475 3.116 1.00 0.00 ATOM 489 CG LYS 116 14.266 5.811 3.246 1.00 0.00 ATOM 490 CD LYS 116 15.732 5.622 3.599 1.00 0.00 ATOM 491 CE LYS 116 16.440 6.959 3.753 1.00 0.00 ATOM 492 NZ LYS 116 17.866 6.790 4.145 1.00 0.00 ATOM 493 O LYS 116 10.971 2.575 3.413 1.00 0.00 ATOM 494 C LYS 116 11.447 3.220 2.485 1.00 0.00 ATOM 495 N PHE 117 11.440 2.779 1.232 1.00 0.00 ATOM 496 CA PHE 117 10.860 1.478 0.868 1.00 0.00 ATOM 497 CB PHE 117 9.467 1.660 0.266 1.00 0.00 ATOM 498 CG PHE 117 8.790 0.371 -0.099 1.00 0.00 ATOM 499 CD1 PHE 117 7.792 -0.156 0.703 1.00 0.00 ATOM 500 CD2 PHE 117 9.150 -0.316 -1.244 1.00 0.00 ATOM 501 CE1 PHE 117 7.170 -1.344 0.367 1.00 0.00 ATOM 502 CE2 PHE 117 8.527 -1.503 -1.581 1.00 0.00 ATOM 503 CZ PHE 117 7.541 -2.018 -0.782 1.00 0.00 ATOM 504 O PHE 117 12.206 1.382 -1.084 1.00 0.00 ATOM 505 C PHE 117 11.796 0.781 -0.104 1.00 0.00 ATOM 506 N TYR 118 12.162 -0.462 0.213 1.00 0.00 ATOM 507 CA TYR 118 13.055 -1.253 -0.624 1.00 0.00 ATOM 508 CB TYR 118 14.437 -1.362 0.021 1.00 0.00 ATOM 509 CG TYR 118 15.137 -0.034 0.200 1.00 0.00 ATOM 510 CD1 TYR 118 14.927 0.732 1.341 1.00 0.00 ATOM 511 CD2 TYR 118 16.004 0.451 -0.772 1.00 0.00 ATOM 512 CE1 TYR 118 15.564 1.947 1.513 1.00 0.00 ATOM 513 CE2 TYR 118 16.648 1.664 -0.616 1.00 0.00 ATOM 514 CZ TYR 118 16.421 2.413 0.538 1.00 0.00 ATOM 515 OH TYR 118 17.052 3.622 0.709 1.00 0.00 ATOM 516 O TYR 118 11.683 -3.084 0.039 1.00 0.00 ATOM 517 C TYR 118 12.420 -2.613 -0.827 1.00 0.00 ATOM 518 N ALA 119 12.644 -3.196 -2.000 1.00 0.00 ATOM 519 CA ALA 119 12.023 -4.470 -2.336 1.00 0.00 ATOM 520 CB ALA 119 11.022 -4.289 -3.466 1.00 0.00 ATOM 521 O ALA 119 14.086 -5.121 -3.352 1.00 0.00 ATOM 522 C ALA 119 13.086 -5.473 -2.713 1.00 0.00 ATOM 523 N CYS 120 12.840 -6.721 -2.333 1.00 0.00 ATOM 524 CA CYS 120 13.706 -7.834 -2.663 1.00 0.00 ATOM 525 CB CYS 120 13.168 -9.131 -2.057 1.00 0.00 ATOM 526 SG CYS 120 14.009 -10.627 -2.626 1.00 0.00 ATOM 527 O CYS 120 12.856 -8.201 -4.867 1.00 0.00 ATOM 528 C CYS 120 13.839 -7.965 -4.179 1.00 0.00 ATOM 529 N GLN 121 15.058 -7.801 -4.697 1.00 0.00 ATOM 530 CA GLN 121 15.292 -7.897 -6.133 1.00 0.00 ATOM 531 CB GLN 121 16.721 -7.469 -6.471 1.00 0.00 ATOM 532 CG GLN 121 17.049 -7.518 -7.954 1.00 0.00 ATOM 533 CD GLN 121 18.307 -6.745 -8.300 1.00 0.00 ATOM 534 OE1 GLN 121 18.732 -5.864 -7.551 1.00 0.00 ATOM 535 NE2 GLN 121 18.909 -7.073 -9.437 1.00 0.00 ATOM 536 O GLN 121 14.575 -9.446 -7.807 1.00 0.00 ATOM 537 C GLN 121 15.044 -9.300 -6.665 1.00 0.00 ATOM 538 N LEU 122 15.363 -10.330 -5.878 1.00 0.00 ATOM 539 CA LEU 122 15.037 -11.700 -6.301 1.00 0.00 ATOM 540 CB LEU 122 15.550 -12.714 -5.277 1.00 0.00 ATOM 541 CG LEU 122 15.241 -14.184 -5.565 1.00 0.00 ATOM 542 CD1 LEU 122 15.884 -14.622 -6.872 1.00 0.00 ATOM 543 CD2 LEU 122 15.716 -15.068 -4.422 1.00 0.00 ATOM 544 O LEU 122 13.080 -12.385 -7.518 1.00 0.00 ATOM 545 C LEU 122 13.528 -11.852 -6.495 1.00 0.00 ATOM 546 N SER 123 12.739 -11.386 -5.524 1.00 0.00 ATOM 547 CA SER 123 11.278 -11.422 -5.687 1.00 0.00 ATOM 548 CB SER 123 10.586 -10.868 -4.440 1.00 0.00 ATOM 549 OG SER 123 9.177 -10.877 -4.592 1.00 0.00 ATOM 550 O SER 123 9.967 -11.156 -7.663 1.00 0.00 ATOM 551 C SER 123 10.798 -10.656 -6.898 1.00 0.00 ATOM 552 N VAL 124 11.287 -9.425 -7.062 1.00 0.00 ATOM 553 CA VAL 124 10.898 -8.615 -8.211 1.00 0.00 ATOM 554 CB VAL 124 11.579 -7.234 -8.185 1.00 0.00 ATOM 555 CG1 VAL 124 11.329 -6.491 -9.487 1.00 0.00 ATOM 556 CG2 VAL 124 11.084 -6.419 -7.000 1.00 0.00 ATOM 557 O VAL 124 10.407 -9.303 -10.465 1.00 0.00 ATOM 558 C VAL 124 11.220 -9.317 -9.521 1.00 0.00 ATOM 559 N GLU 125 12.390 -9.950 -9.577 1.00 0.00 ATOM 560 CA GLU 125 12.789 -10.637 -10.807 1.00 0.00 ATOM 561 CB GLU 125 14.288 -10.939 -10.790 1.00 0.00 ATOM 562 CG GLU 125 15.171 -9.705 -10.880 1.00 0.00 ATOM 563 CD GLU 125 16.648 -10.047 -10.915 1.00 0.00 ATOM 564 OE1 GLU 125 16.982 -11.246 -10.825 1.00 0.00 ATOM 565 OE2 GLU 125 17.471 -9.114 -11.030 1.00 0.00 ATOM 566 O GLU 125 11.584 -12.236 -12.114 1.00 0.00 ATOM 567 C GLU 125 11.997 -11.922 -10.996 1.00 0.00 ATOM 568 N ILE 126 11.763 -12.661 -9.914 1.00 0.00 ATOM 569 CA ILE 126 10.990 -13.902 -10.030 1.00 0.00 ATOM 570 CB ILE 126 11.042 -14.723 -8.728 1.00 0.00 ATOM 571 CG1 ILE 126 12.457 -15.253 -8.488 1.00 0.00 ATOM 572 CG2 ILE 126 10.016 -15.845 -8.765 1.00 0.00 ATOM 573 CD1 ILE 126 12.663 -15.837 -7.108 1.00 0.00 ATOM 574 O ILE 126 8.930 -14.508 -11.128 1.00 0.00 ATOM 575 C ILE 126 9.527 -13.696 -10.400 1.00 0.00 ATOM 576 N MET 127 8.958 -12.607 -9.896 1.00 0.00 ATOM 577 CA MET 127 7.576 -12.253 -10.201 1.00 0.00 ATOM 578 CB MET 127 6.948 -11.490 -9.034 1.00 0.00 ATOM 579 CG MET 127 6.837 -12.298 -7.751 1.00 0.00 ATOM 580 SD MET 127 5.851 -13.795 -7.956 1.00 0.00 ATOM 581 CE MET 127 4.219 -13.095 -8.191 1.00 0.00 ATOM 582 O MET 127 6.342 -11.140 -11.940 1.00 0.00 ATOM 583 C MET 127 7.461 -11.415 -11.482 1.00 0.00 ATOM 584 N GLY 128 8.590 -10.966 -12.032 1.00 0.00 ATOM 585 CA GLY 128 8.620 -10.178 -13.273 1.00 0.00 ATOM 586 O GLY 128 7.450 -8.219 -14.092 1.00 0.00 ATOM 587 C GLY 128 8.088 -8.747 -13.159 1.00 0.00 ATOM 591 N GLU 137 9.132 4.269 -7.353 1.00 0.00 ATOM 592 CA GLU 137 10.090 4.952 -6.507 1.00 0.00 ATOM 593 CB GLU 137 9.467 6.211 -5.901 1.00 0.00 ATOM 594 CG GLU 137 10.421 7.024 -5.041 1.00 0.00 ATOM 595 CD GLU 137 11.565 7.617 -5.841 1.00 0.00 ATOM 596 OE1 GLU 137 11.421 7.746 -7.075 1.00 0.00 ATOM 597 OE2 GLU 137 12.603 7.953 -5.233 1.00 0.00 ATOM 598 O GLU 137 11.322 4.605 -4.470 1.00 0.00 ATOM 599 C GLU 137 10.644 4.101 -5.376 1.00 0.00 ATOM 600 N VAL 138 10.357 2.799 -5.435 1.00 0.00 ATOM 601 CA VAL 138 10.879 1.823 -4.474 1.00 0.00 ATOM 602 CB VAL 138 9.947 0.603 -4.345 1.00 0.00 ATOM 603 CG1 VAL 138 10.564 -0.444 -3.432 1.00 0.00 ATOM 604 CG2 VAL 138 8.581 1.029 -3.827 1.00 0.00 ATOM 605 O VAL 138 12.539 1.183 -6.107 1.00 0.00 ATOM 606 C VAL 138 12.284 1.392 -4.906 1.00 0.00 ATOM 607 N GLN 139 13.178 1.256 -3.926 1.00 0.00 ATOM 608 CA GLN 139 14.541 0.785 -4.186 1.00 0.00 ATOM 609 CB GLN 139 15.477 1.195 -3.048 1.00 0.00 ATOM 610 CG GLN 139 16.914 0.735 -3.229 1.00 0.00 ATOM 611 CD GLN 139 17.602 1.420 -4.394 1.00 0.00 ATOM 612 OE1 GLN 139 17.659 2.648 -4.460 1.00 0.00 ATOM 613 NE2 GLN 139 18.129 0.625 -5.318 1.00 0.00 ATOM 614 O GLN 139 14.068 -1.442 -3.477 1.00 0.00 ATOM 615 C GLN 139 14.513 -0.722 -4.359 1.00 0.00 ATOM 616 N ILE 140 15.002 -1.207 -5.489 1.00 0.00 ATOM 617 CA ILE 140 15.063 -2.637 -5.703 1.00 0.00 ATOM 618 CB ILE 140 14.475 -3.030 -7.072 1.00 0.00 ATOM 619 CG1 ILE 140 13.007 -2.608 -7.160 1.00 0.00 ATOM 620 CG2 ILE 140 14.654 -4.520 -7.319 1.00 0.00 ATOM 621 CD1 ILE 140 12.414 -2.753 -8.545 1.00 0.00 ATOM 622 O ILE 140 17.386 -2.542 -6.276 1.00 0.00 ATOM 623 C ILE 140 16.517 -3.066 -5.574 1.00 0.00 ATOM 624 N MET 141 16.783 -3.982 -4.640 1.00 0.00 ATOM 625 CA MET 141 18.138 -4.473 -4.445 1.00 0.00 ATOM 626 CB MET 141 18.939 -3.504 -3.573 1.00 0.00 ATOM 627 CG MET 141 18.427 -3.383 -2.147 1.00 0.00 ATOM 628 SD MET 141 19.319 -2.142 -1.189 1.00 0.00 ATOM 629 CE MET 141 18.518 -2.303 0.403 1.00 0.00 ATOM 630 O MET 141 17.103 -6.297 -3.276 1.00 0.00 ATOM 631 C MET 141 18.122 -5.856 -3.817 1.00 0.00 ATOM 632 N ASP 142 19.258 -6.548 -3.890 1.00 0.00 ATOM 633 CA ASP 142 19.353 -7.864 -3.257 1.00 0.00 ATOM 634 CB ASP 142 20.628 -8.583 -3.703 1.00 0.00 ATOM 635 CG ASP 142 20.720 -9.996 -3.162 1.00 0.00 ATOM 636 OD1 ASP 142 20.272 -10.225 -2.020 1.00 0.00 ATOM 637 OD2 ASP 142 21.241 -10.875 -3.882 1.00 0.00 ATOM 638 O ASP 142 20.091 -6.895 -1.204 1.00 0.00 ATOM 639 C ASP 142 19.318 -7.677 -1.741 1.00 0.00 ATOM 640 N VAL 143 18.373 -8.356 -1.084 1.00 0.00 ATOM 641 CA VAL 143 18.001 -8.006 0.293 1.00 0.00 ATOM 642 CB VAL 143 16.473 -8.025 0.486 1.00 0.00 ATOM 643 CG1 VAL 143 15.805 -7.033 -0.453 1.00 0.00 ATOM 644 CG2 VAL 143 15.924 -9.427 0.266 1.00 0.00 ATOM 645 O VAL 143 18.385 -8.619 2.565 1.00 0.00 ATOM 646 C VAL 143 18.603 -8.883 1.382 1.00 0.00 ATOM 647 N LYS 144 19.365 -9.906 1.001 1.00 0.00 ATOM 648 CA LYS 144 19.900 -10.841 1.993 1.00 0.00 ATOM 649 CB LYS 144 20.617 -12.003 1.303 1.00 0.00 ATOM 650 CG LYS 144 21.190 -13.035 2.260 1.00 0.00 ATOM 651 CD LYS 144 21.843 -14.183 1.507 1.00 0.00 ATOM 652 CE LYS 144 22.448 -15.198 2.464 1.00 0.00 ATOM 653 NZ LYS 144 23.092 -16.328 1.740 1.00 0.00 ATOM 654 O LYS 144 20.716 -10.369 4.216 1.00 0.00 ATOM 655 C LYS 144 20.854 -10.205 2.984 1.00 0.00 ATOM 656 N GLU 145 21.818 -9.456 2.454 1.00 0.00 ATOM 657 CA GLU 145 22.782 -8.772 3.317 1.00 0.00 ATOM 658 CB GLU 145 23.916 -8.169 2.485 1.00 0.00 ATOM 659 CG GLU 145 24.982 -7.464 3.305 1.00 0.00 ATOM 660 CD GLU 145 25.755 -8.415 4.198 1.00 0.00 ATOM 661 OE1 GLU 145 25.733 -9.634 3.926 1.00 0.00 ATOM 662 OE2 GLU 145 26.381 -7.942 5.170 1.00 0.00 ATOM 663 O GLU 145 22.297 -7.640 5.358 1.00 0.00 ATOM 664 C GLU 145 22.105 -7.678 4.151 1.00 0.00 ATOM 665 N TYR 146 21.337 -6.777 3.512 1.00 0.00 ATOM 666 CA TYR 146 20.644 -5.776 4.323 1.00 0.00 ATOM 667 CB TYR 146 19.726 -4.919 3.448 1.00 0.00 ATOM 668 CG TYR 146 20.463 -3.939 2.563 1.00 0.00 ATOM 669 CD1 TYR 146 20.860 -4.298 1.281 1.00 0.00 ATOM 670 CD2 TYR 146 20.761 -2.660 3.013 1.00 0.00 ATOM 671 CE1 TYR 146 21.534 -3.408 0.465 1.00 0.00 ATOM 672 CE2 TYR 146 21.434 -1.757 2.213 1.00 0.00 ATOM 673 CZ TYR 146 21.820 -2.143 0.928 1.00 0.00 ATOM 674 OH TYR 146 22.492 -1.255 0.118 1.00 0.00 ATOM 675 O TYR 146 19.921 -5.869 6.610 1.00 0.00 ATOM 676 C TYR 146 19.807 -6.349 5.471 1.00 0.00 ATOM 677 N LEU 147 18.968 -7.349 5.207 1.00 0.00 ATOM 678 CA LEU 147 18.149 -7.891 6.293 1.00 0.00 ATOM 679 CB LEU 147 17.195 -8.963 5.760 1.00 0.00 ATOM 680 CG LEU 147 16.278 -9.627 6.789 1.00 0.00 ATOM 681 CD1 LEU 147 15.458 -8.582 7.531 1.00 0.00 ATOM 682 CD2 LEU 147 15.363 -10.640 6.120 1.00 0.00 ATOM 683 O LEU 147 18.739 -8.266 8.585 1.00 0.00 ATOM 684 C LEU 147 19.015 -8.469 7.399 1.00 0.00 ATOM 685 N LYS 148 20.052 -9.200 7.009 1.00 0.00 ATOM 686 CA LYS 148 20.981 -9.755 7.983 1.00 0.00 ATOM 687 CB LYS 148 22.093 -10.534 7.278 1.00 0.00 ATOM 688 CG LYS 148 23.103 -11.164 8.223 1.00 0.00 ATOM 689 CD LYS 148 24.149 -11.962 7.461 1.00 0.00 ATOM 690 CE LYS 148 25.180 -12.564 8.402 1.00 0.00 ATOM 691 NZ LYS 148 26.210 -13.348 7.669 1.00 0.00 ATOM 692 O LYS 148 21.565 -8.733 10.070 1.00 0.00 ATOM 693 C LYS 148 21.560 -8.633 8.834 1.00 0.00 ATOM 694 N ASN 149 22.008 -7.555 8.197 1.00 0.00 ATOM 695 CA ASN 149 22.580 -6.444 8.947 1.00 0.00 ATOM 696 CB ASN 149 23.138 -5.385 7.993 1.00 0.00 ATOM 697 CG ASN 149 24.425 -5.824 7.323 1.00 0.00 ATOM 698 ND2 ASN 149 24.762 -5.177 6.213 1.00 0.00 ATOM 699 OD1 ASN 149 25.104 -6.734 7.797 1.00 0.00 ATOM 700 O ASN 149 21.892 -5.508 11.051 1.00 0.00 ATOM 701 C ASN 149 21.570 -5.814 9.895 1.00 0.00 ATOM 702 N ALA 150 20.336 -5.627 9.422 1.00 0.00 ATOM 703 CA ALA 150 19.306 -5.027 10.279 1.00 0.00 ATOM 704 CB ALA 150 18.001 -4.873 9.514 1.00 0.00 ATOM 705 O ALA 150 19.006 -5.361 12.637 1.00 0.00 ATOM 706 C ALA 150 19.101 -5.878 11.524 1.00 0.00 ATOM 707 N LEU 151 19.040 -7.185 11.337 1.00 0.00 ATOM 708 CA LEU 151 18.842 -8.088 12.470 1.00 0.00 ATOM 709 CB LEU 151 18.574 -9.512 11.979 1.00 0.00 ATOM 710 CG LEU 151 17.186 -9.777 11.393 1.00 0.00 ATOM 711 CD1 LEU 151 17.214 -10.986 10.471 1.00 0.00 ATOM 712 CD2 LEU 151 16.164 -9.980 12.502 1.00 0.00 ATOM 713 O LEU 151 19.898 -7.991 14.629 1.00 0.00 ATOM 714 C LEU 151 20.053 -8.074 13.406 1.00 0.00 ATOM 715 N GLU 152 21.250 -8.137 12.826 1.00 0.00 ATOM 716 CA GLU 152 22.506 -8.158 13.616 1.00 0.00 ATOM 717 CB GLU 152 23.714 -8.355 12.697 1.00 0.00 ATOM 718 CG GLU 152 23.801 -9.739 12.075 1.00 0.00 ATOM 719 CD GLU 152 24.983 -9.883 11.136 1.00 0.00 ATOM 720 OE1 GLU 152 25.499 -8.846 10.669 1.00 0.00 ATOM 721 OE2 GLU 152 25.393 -11.032 10.869 1.00 0.00 ATOM 722 O GLU 152 23.260 -6.925 15.523 1.00 0.00 ATOM 723 C GLU 152 22.684 -6.890 14.428 1.00 0.00 ATOM 724 N SER 153 22.199 -5.773 13.882 1.00 0.00 ATOM 725 CA SER 153 22.307 -4.469 14.552 1.00 0.00 ATOM 726 CB SER 153 22.157 -3.333 13.539 1.00 0.00 ATOM 727 OG SER 153 20.851 -3.310 12.988 1.00 0.00 ATOM 728 O SER 153 21.296 -3.242 16.342 1.00 0.00 ATOM 729 C SER 153 21.282 -4.275 15.665 1.00 0.00 ATOM 730 N ASP 154 20.405 -5.257 15.847 1.00 0.00 ATOM 731 CA ASP 154 19.388 -5.191 16.891 1.00 0.00 ATOM 732 CB ASP 154 20.016 -4.787 18.227 1.00 0.00 ATOM 733 CG ASP 154 20.992 -5.823 18.748 1.00 0.00 ATOM 734 OD1 ASP 154 20.811 -7.020 18.438 1.00 0.00 ATOM 735 OD2 ASP 154 21.939 -5.439 19.467 1.00 0.00 ATOM 736 O ASP 154 17.651 -3.628 17.445 1.00 0.00 ATOM 737 C ASP 154 18.267 -4.227 16.555 1.00 0.00 ATOM 738 N LEU 155 17.971 -4.087 15.265 1.00 0.00 ATOM 739 CA LEU 155 16.880 -3.204 14.858 1.00 0.00 ATOM 740 CB LEU 155 16.765 -3.162 13.333 1.00 0.00 ATOM 741 CG LEU 155 17.945 -2.544 12.581 1.00 0.00 ATOM 742 CD1 LEU 155 17.765 -2.697 11.078 1.00 0.00 ATOM 743 CD2 LEU 155 18.106 -1.076 12.947 1.00 0.00 ATOM 744 O LEU 155 15.308 -4.769 15.765 1.00 0.00 ATOM 745 C LEU 155 15.544 -3.598 15.437 1.00 0.00 ATOM 746 N GLN 156 14.671 -2.606 15.564 1.00 0.00 ATOM 747 CA GLN 156 13.290 -2.886 15.902 1.00 0.00 ATOM 748 CB GLN 156 12.672 -1.705 16.652 1.00 0.00 ATOM 749 CG GLN 156 13.361 -1.373 17.966 1.00 0.00 ATOM 750 CD GLN 156 13.230 -2.485 18.987 1.00 0.00 ATOM 751 OE1 GLN 156 12.123 -2.854 19.380 1.00 0.00 ATOM 752 NE2 GLN 156 14.363 -3.022 19.425 1.00 0.00 ATOM 753 O GLN 156 12.498 -2.315 13.713 1.00 0.00 ATOM 754 C GLN 156 12.585 -3.182 14.588 1.00 0.00 ATOM 755 N LEU 157 12.123 -4.423 14.459 1.00 0.00 ATOM 756 CA LEU 157 11.533 -4.935 13.220 1.00 0.00 ATOM 757 CB LEU 157 12.458 -5.967 12.573 1.00 0.00 ATOM 758 CG LEU 157 11.940 -6.637 11.298 1.00 0.00 ATOM 759 CD1 LEU 157 11.774 -5.616 10.184 1.00 0.00 ATOM 760 CD2 LEU 157 12.878 -7.752 10.858 1.00 0.00 ATOM 761 O LEU 157 10.063 -6.506 14.258 1.00 0.00 ATOM 762 C LEU 157 10.169 -5.541 13.503 1.00 0.00 ATOM 763 N PHE 158 9.136 -4.960 12.909 1.00 0.00 ATOM 764 CA PHE 158 7.822 -5.577 12.921 1.00 0.00 ATOM 765 CB PHE 158 6.728 -4.508 12.984 1.00 0.00 ATOM 766 CG PHE 158 6.732 -3.713 14.259 1.00 0.00 ATOM 767 CD1 PHE 158 7.306 -2.454 14.303 1.00 0.00 ATOM 768 CD2 PHE 158 6.161 -4.223 15.410 1.00 0.00 ATOM 769 CE1 PHE 158 7.309 -1.723 15.476 1.00 0.00 ATOM 770 CE2 PHE 158 6.165 -3.491 16.583 1.00 0.00 ATOM 771 CZ PHE 158 6.736 -2.246 16.619 1.00 0.00 ATOM 772 O PHE 158 7.867 -5.894 10.554 1.00 0.00 ATOM 773 C PHE 158 7.740 -6.418 11.671 1.00 0.00 TER END