PFRMAT TS TARGET T0514 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 T0514 model 5 Fri Jul 18 13:28:54 2008 MODEL 5 PARENT N/A ATOM 2 N GLY 19 -5.965 14.498 -1.760 1.00 0.00 ATOM 3 CA GLY 19 -7.072 14.836 -2.648 1.00 0.00 ATOM 4 O GLY 19 -7.087 12.555 -3.369 1.00 0.00 ATOM 5 C GLY 19 -7.759 13.559 -3.093 1.00 0.00 ATOM 6 N LYS 20 -9.083 13.617 -3.157 1.00 0.00 ATOM 7 CA LYS 20 -9.930 12.514 -3.579 1.00 0.00 ATOM 8 CB LYS 20 -9.394 11.188 -3.037 1.00 0.00 ATOM 9 CG LYS 20 -10.119 9.961 -3.569 1.00 0.00 ATOM 10 CD LYS 20 -9.895 9.791 -5.063 1.00 0.00 ATOM 11 CE LYS 20 -8.468 9.361 -5.362 1.00 0.00 ATOM 12 NZ LYS 20 -8.236 9.183 -6.822 1.00 0.00 ATOM 13 O LYS 20 -11.664 13.436 -2.226 1.00 0.00 ATOM 14 C LYS 20 -11.366 12.639 -3.099 1.00 0.00 ATOM 15 N LYS 21 -12.270 11.873 -3.692 1.00 0.00 ATOM 16 CA LYS 21 -13.649 11.846 -3.241 1.00 0.00 ATOM 17 CB LYS 21 -14.521 11.073 -4.233 1.00 0.00 ATOM 18 CG LYS 21 -16.001 11.065 -3.882 1.00 0.00 ATOM 19 CD LYS 21 -16.818 10.360 -4.951 1.00 0.00 ATOM 20 CE LYS 21 -18.298 10.366 -4.609 1.00 0.00 ATOM 21 NZ LYS 21 -19.113 9.681 -5.651 1.00 0.00 ATOM 22 O LYS 21 -13.151 10.065 -1.663 1.00 0.00 ATOM 23 C LYS 21 -13.734 11.163 -1.873 1.00 0.00 ATOM 24 N VAL 22 -14.466 11.779 -0.942 1.00 0.00 ATOM 25 CA VAL 22 -14.657 11.191 0.395 1.00 0.00 ATOM 26 CB VAL 22 -15.530 12.093 1.288 1.00 0.00 ATOM 27 CG1 VAL 22 -15.854 11.391 2.597 1.00 0.00 ATOM 28 CG2 VAL 22 -14.804 13.391 1.604 1.00 0.00 ATOM 29 O VAL 22 -16.302 9.679 -0.424 1.00 0.00 ATOM 30 C VAL 22 -15.328 9.858 0.303 1.00 0.00 ATOM 31 N CYS 23 -14.827 8.924 1.086 1.00 0.00 ATOM 32 CA CYS 23 -15.351 7.566 1.081 1.00 0.00 ATOM 33 CB CYS 23 -14.406 6.630 0.324 1.00 0.00 ATOM 34 SG CYS 23 -14.974 4.916 0.226 1.00 0.00 ATOM 35 O CYS 23 -14.476 7.240 3.266 1.00 0.00 ATOM 36 C CYS 23 -15.459 7.161 2.534 1.00 0.00 ATOM 37 N PHE 24 -16.636 6.740 2.952 1.00 0.00 ATOM 38 CA PHE 24 -16.826 6.274 4.329 1.00 0.00 ATOM 39 CB PHE 24 -18.226 6.633 4.828 1.00 0.00 ATOM 40 CG PHE 24 -18.435 8.105 5.039 1.00 0.00 ATOM 41 CD1 PHE 24 -19.028 8.882 4.058 1.00 0.00 ATOM 42 CD2 PHE 24 -18.040 8.715 6.218 1.00 0.00 ATOM 43 CE1 PHE 24 -19.220 10.237 4.251 1.00 0.00 ATOM 44 CE2 PHE 24 -18.232 10.069 6.410 1.00 0.00 ATOM 45 CZ PHE 24 -18.819 10.830 5.434 1.00 0.00 ATOM 46 O PHE 24 -17.316 4.067 3.590 1.00 0.00 ATOM 47 C PHE 24 -16.650 4.756 4.351 1.00 0.00 ATOM 48 N MET 25 -15.757 4.294 5.212 1.00 0.00 ATOM 49 CA MET 25 -15.422 2.858 5.291 1.00 0.00 ATOM 50 CB MET 25 -13.921 2.646 5.083 1.00 0.00 ATOM 51 CG MET 25 -13.477 1.199 5.206 1.00 0.00 ATOM 52 SD MET 25 -14.136 0.153 3.892 1.00 0.00 ATOM 53 CE MET 25 -13.157 0.703 2.498 1.00 0.00 ATOM 54 O MET 25 -15.369 2.936 7.693 1.00 0.00 ATOM 55 C MET 25 -15.841 2.397 6.688 1.00 0.00 ATOM 56 N HIS 26 -16.639 1.357 6.732 1.00 0.00 ATOM 57 CA HIS 26 -17.008 0.787 8.029 1.00 0.00 ATOM 58 CB HIS 26 -18.403 1.257 8.445 1.00 0.00 ATOM 59 CG HIS 26 -19.489 0.824 7.510 1.00 0.00 ATOM 60 CD2 HIS 26 -20.426 -0.289 7.449 1.00 0.00 ATOM 61 ND1 HIS 26 -19.822 1.534 6.376 1.00 0.00 ATOM 62 CE1 HIS 26 -20.827 0.902 5.744 1.00 0.00 ATOM 63 NE2 HIS 26 -21.194 -0.192 6.382 1.00 0.00 ATOM 64 O HIS 26 -17.268 -1.391 7.033 1.00 0.00 ATOM 65 C HIS 26 -17.036 -0.744 8.046 1.00 0.00 ATOM 66 N ARG 27 -16.885 -1.324 9.227 1.00 0.00 ATOM 67 CA ARG 27 -17.211 -2.743 9.341 1.00 0.00 ATOM 68 CB ARG 27 -16.357 -3.566 8.375 1.00 0.00 ATOM 69 CG ARG 27 -14.873 -3.565 8.704 1.00 0.00 ATOM 70 CD ARG 27 -14.078 -4.351 7.673 1.00 0.00 ATOM 71 NE ARG 27 -12.651 -4.377 7.986 1.00 0.00 ATOM 72 CZ ARG 27 -11.724 -4.921 7.205 1.00 0.00 ATOM 73 NH1 ARG 27 -10.450 -4.897 7.570 1.00 0.00 ATOM 74 NH2 ARG 27 -12.074 -5.487 6.058 1.00 0.00 ATOM 75 O ARG 27 -16.843 -2.486 11.703 1.00 0.00 ATOM 76 C ARG 27 -16.960 -3.263 10.748 1.00 0.00 ATOM 77 N GLN 28 -16.843 -4.589 10.841 1.00 0.00 ATOM 78 CA GLN 28 -16.662 -5.262 12.128 1.00 0.00 ATOM 79 CB GLN 28 -17.936 -6.012 12.523 1.00 0.00 ATOM 80 CG GLN 28 -19.137 -5.113 12.763 1.00 0.00 ATOM 81 CD GLN 28 -20.371 -5.889 13.183 1.00 0.00 ATOM 82 OE1 GLN 28 -20.336 -7.113 13.301 1.00 0.00 ATOM 83 NE2 GLN 28 -21.467 -5.175 13.412 1.00 0.00 ATOM 84 O GLN 28 -15.420 -6.955 11.061 1.00 0.00 ATOM 85 C GLN 28 -15.508 -6.273 12.056 1.00 0.00 ATOM 86 N GLU 29 -14.617 -6.328 13.051 1.00 0.00 ATOM 87 CA GLU 29 -13.620 -7.419 13.146 1.00 0.00 ATOM 88 CB GLU 29 -12.312 -6.901 13.745 1.00 0.00 ATOM 89 CG GLU 29 -11.195 -7.929 13.783 1.00 0.00 ATOM 90 CD GLU 29 -10.666 -8.266 12.402 1.00 0.00 ATOM 91 OE1 GLU 29 -11.024 -7.555 11.440 1.00 0.00 ATOM 92 OE2 GLU 29 -9.893 -9.241 12.284 1.00 0.00 ATOM 93 O GLU 29 -14.641 -8.258 15.145 1.00 0.00 ATOM 94 C GLU 29 -14.162 -8.536 14.038 1.00 0.00 ATOM 95 N VAL 30 -14.173 -9.763 13.519 1.00 0.00 ATOM 96 CA VAL 30 -14.528 -10.921 14.317 1.00 0.00 ATOM 97 CB VAL 30 -15.859 -11.540 13.852 1.00 0.00 ATOM 98 CG1 VAL 30 -16.996 -10.545 14.016 1.00 0.00 ATOM 99 CG2 VAL 30 -15.776 -11.939 12.386 1.00 0.00 ATOM 100 O VAL 30 -12.614 -11.916 13.276 1.00 0.00 ATOM 101 C VAL 30 -13.434 -11.974 14.194 1.00 0.00 ATOM 102 N ASN 31 -13.415 -12.922 15.132 1.00 0.00 ATOM 103 CA ASN 31 -12.653 -14.167 14.884 1.00 0.00 ATOM 104 CB ASN 31 -12.194 -14.786 16.205 1.00 0.00 ATOM 105 CG ASN 31 -13.348 -15.305 17.039 1.00 0.00 ATOM 106 ND2 ASN 31 -13.057 -15.689 18.276 1.00 0.00 ATOM 107 OD1 ASN 31 -14.486 -15.361 16.574 1.00 0.00 ATOM 108 O ASN 31 -14.639 -15.123 13.884 1.00 0.00 ATOM 109 C ASN 31 -13.448 -15.248 14.150 1.00 0.00 ATOM 110 N ASP 32 -12.784 -16.360 13.840 1.00 0.00 ATOM 111 CA ASP 32 -13.449 -17.425 13.115 1.00 0.00 ATOM 112 CB ASP 32 -12.428 -18.444 12.605 1.00 0.00 ATOM 113 CG ASP 32 -11.596 -17.910 11.455 1.00 0.00 ATOM 114 OD1 ASP 32 -11.968 -16.861 10.890 1.00 0.00 ATOM 115 OD2 ASP 32 -10.572 -18.541 11.120 1.00 0.00 ATOM 116 O ASP 32 -15.258 -18.980 13.458 1.00 0.00 ATOM 117 C ASP 32 -14.466 -18.190 13.988 1.00 0.00 ATOM 118 N GLN 33 -14.475 -17.932 15.299 1.00 0.00 ATOM 119 CA GLN 33 -15.541 -18.504 16.169 1.00 0.00 ATOM 120 CB GLN 33 -14.996 -18.779 17.572 1.00 0.00 ATOM 121 CG GLN 33 -13.849 -19.777 17.608 1.00 0.00 ATOM 122 CD GLN 33 -14.239 -21.133 17.055 1.00 0.00 ATOM 123 OE1 GLN 33 -15.273 -21.690 17.422 1.00 0.00 ATOM 124 NE2 GLN 33 -13.407 -21.669 16.168 1.00 0.00 ATOM 125 O GLN 33 -17.690 -17.828 17.039 1.00 0.00 ATOM 126 C GLN 33 -16.739 -17.546 16.309 1.00 0.00 ATOM 127 N ASN 34 -16.707 -16.454 15.545 1.00 0.00 ATOM 128 CA ASN 34 -17.793 -15.490 15.543 1.00 0.00 ATOM 129 CB ASN 34 -19.138 -16.199 15.718 1.00 0.00 ATOM 130 CG ASN 34 -19.509 -17.048 14.518 1.00 0.00 ATOM 131 ND2 ASN 34 -20.257 -18.119 14.761 1.00 0.00 ATOM 132 OD1 ASN 34 -19.128 -16.743 13.388 1.00 0.00 ATOM 133 O ASN 34 -18.699 -13.660 16.685 1.00 0.00 ATOM 134 C ASN 34 -17.753 -14.436 16.623 1.00 0.00 ATOM 135 N ARG 35 -16.694 -14.364 17.433 1.00 0.00 ATOM 136 CA ARG 35 -16.623 -13.375 18.500 1.00 0.00 ATOM 137 CB ARG 35 -15.660 -13.837 19.596 1.00 0.00 ATOM 138 CG ARG 35 -15.564 -12.888 20.778 1.00 0.00 ATOM 139 CD ARG 35 -14.620 -13.424 21.841 1.00 0.00 ATOM 140 NE ARG 35 -14.523 -12.526 22.991 1.00 0.00 ATOM 141 CZ ARG 35 -13.772 -12.762 24.061 1.00 0.00 ATOM 142 NH1 ARG 35 -13.747 -11.889 25.059 1.00 0.00 ATOM 143 NH2 ARG 35 -13.048 -13.871 24.133 1.00 0.00 ATOM 144 O ARG 35 -15.133 -12.120 17.191 1.00 0.00 ATOM 145 C ARG 35 -16.125 -12.076 17.882 1.00 0.00 ATOM 146 N VAL 36 -16.765 -10.933 18.174 1.00 0.00 ATOM 147 CA VAL 36 -16.184 -9.626 17.874 1.00 0.00 ATOM 148 CB VAL 36 -17.085 -8.481 18.371 1.00 0.00 ATOM 149 CG1 VAL 36 -18.446 -8.542 17.695 1.00 0.00 ATOM 150 CG2 VAL 36 -17.291 -8.579 19.875 1.00 0.00 ATOM 151 O VAL 36 -14.646 -10.125 19.682 1.00 0.00 ATOM 152 C VAL 36 -14.830 -9.538 18.573 1.00 0.00 ATOM 153 N VAL 37 -13.880 -8.844 17.944 1.00 0.00 ATOM 154 CA VAL 37 -12.533 -8.718 18.493 1.00 0.00 ATOM 155 CB VAL 37 -11.474 -9.269 17.519 1.00 0.00 ATOM 156 CG1 VAL 37 -10.130 -9.408 18.216 1.00 0.00 ATOM 157 CG2 VAL 37 -11.889 -10.636 16.997 1.00 0.00 ATOM 158 O VAL 37 -11.908 -6.521 17.787 1.00 0.00 ATOM 159 C VAL 37 -12.299 -7.241 18.729 1.00 0.00 ATOM 160 N VAL 38 -8.358 -4.837 18.092 1.00 0.00 ATOM 161 CA VAL 38 -7.550 -5.263 16.957 1.00 0.00 ATOM 162 CB VAL 38 -8.386 -6.059 15.935 1.00 0.00 ATOM 163 CG1 VAL 38 -7.567 -6.345 14.686 1.00 0.00 ATOM 164 CG2 VAL 38 -8.833 -7.384 16.532 1.00 0.00 ATOM 165 O VAL 38 -7.757 -2.971 16.282 1.00 0.00 ATOM 166 C VAL 38 -7.018 -3.973 16.328 1.00 0.00 ATOM 167 N ALA 39 -5.758 -4.005 15.933 1.00 0.00 ATOM 168 CA ALA 39 -5.059 -2.876 15.315 1.00 0.00 ATOM 169 CB ALA 39 -3.568 -2.956 15.599 1.00 0.00 ATOM 170 O ALA 39 -5.037 -3.971 13.166 1.00 0.00 ATOM 171 C ALA 39 -5.317 -2.959 13.806 1.00 0.00 ATOM 172 N MET 40 -5.900 -1.898 13.266 1.00 0.00 ATOM 173 CA MET 40 -6.242 -1.885 11.859 1.00 0.00 ATOM 174 CB MET 40 -7.731 -1.585 11.672 1.00 0.00 ATOM 175 CG MET 40 -8.190 -1.597 10.222 1.00 0.00 ATOM 176 SD MET 40 -9.950 -1.250 10.047 1.00 0.00 ATOM 177 CE MET 40 -10.656 -2.806 10.583 1.00 0.00 ATOM 178 O MET 40 -5.679 0.393 11.408 1.00 0.00 ATOM 179 C MET 40 -5.399 -0.790 11.189 1.00 0.00 ATOM 180 N SER 41 -4.384 -1.196 10.411 1.00 0.00 ATOM 181 CA SER 41 -3.617 -0.266 9.564 1.00 0.00 ATOM 182 CB SER 41 -2.183 -0.769 9.378 1.00 0.00 ATOM 183 OG SER 41 -1.469 0.051 8.470 1.00 0.00 ATOM 184 O SER 41 -4.614 -1.160 7.585 1.00 0.00 ATOM 185 C SER 41 -4.275 -0.152 8.203 1.00 0.00 ATOM 186 N VAL 42 -4.452 1.075 7.735 1.00 0.00 ATOM 187 CA VAL 42 -5.087 1.315 6.441 1.00 0.00 ATOM 188 CB VAL 42 -6.482 1.945 6.605 1.00 0.00 ATOM 189 CG1 VAL 42 -7.101 2.231 5.246 1.00 0.00 ATOM 190 CG2 VAL 42 -7.405 1.006 7.367 1.00 0.00 ATOM 191 O VAL 42 -3.580 3.186 6.268 1.00 0.00 ATOM 192 C VAL 42 -4.156 2.275 5.678 1.00 0.00 ATOM 193 N VAL 43 -3.991 2.049 4.381 1.00 0.00 ATOM 194 CA VAL 43 -3.260 3.016 3.543 1.00 0.00 ATOM 195 CB VAL 43 -1.740 2.775 3.600 1.00 0.00 ATOM 196 CG1 VAL 43 -1.393 1.417 3.009 1.00 0.00 ATOM 197 CG2 VAL 43 -1.003 3.846 2.810 1.00 0.00 ATOM 198 O VAL 43 -4.203 1.875 1.673 1.00 0.00 ATOM 199 C VAL 43 -3.695 2.905 2.090 1.00 0.00 ATOM 200 N LEU 44 -3.551 4.008 1.341 1.00 0.00 ATOM 201 CA LEU 44 -4.044 4.054 -0.031 1.00 0.00 ATOM 202 CB LEU 44 -5.562 4.243 -0.048 1.00 0.00 ATOM 203 CG LEU 44 -6.077 5.631 0.338 1.00 0.00 ATOM 204 CD1 LEU 44 -7.543 5.785 -0.041 1.00 0.00 ATOM 205 CD2 LEU 44 -5.948 5.853 1.837 1.00 0.00 ATOM 206 O LEU 44 -2.784 6.119 -0.091 1.00 0.00 ATOM 207 C LEU 44 -3.372 5.232 -0.739 1.00 0.00 ATOM 208 N ASN 45 -3.450 5.202 -2.048 1.00 0.00 ATOM 209 CA ASN 45 -2.941 6.276 -2.895 1.00 0.00 ATOM 210 CB ASN 45 -2.643 5.754 -4.302 1.00 0.00 ATOM 211 CG ASN 45 -3.894 5.328 -5.043 1.00 0.00 ATOM 212 ND2 ASN 45 -3.905 4.089 -5.520 1.00 0.00 ATOM 213 OD1 ASN 45 -4.840 6.105 -5.183 1.00 0.00 ATOM 214 O ASN 45 -5.192 7.158 -2.918 1.00 0.00 ATOM 215 C ASN 45 -3.966 7.392 -3.000 1.00 0.00 ATOM 216 N ALA 46 -3.473 8.597 -3.298 1.00 0.00 ATOM 217 CA ALA 46 -4.352 9.712 -3.533 1.00 0.00 ATOM 218 CB ALA 46 -3.624 11.024 -3.289 1.00 0.00 ATOM 219 O ALA 46 -4.671 8.757 -5.726 1.00 0.00 ATOM 220 C ALA 46 -4.870 9.708 -4.983 1.00 0.00 ATOM 221 N ASP 47 -5.575 10.768 -5.354 1.00 0.00 ATOM 222 CA ASP 47 -6.165 10.837 -6.671 1.00 0.00 ATOM 223 CB ASP 47 -7.048 12.079 -6.798 1.00 0.00 ATOM 224 CG ASP 47 -6.276 13.367 -6.595 1.00 0.00 ATOM 225 OD1 ASP 47 -5.683 13.540 -5.510 1.00 0.00 ATOM 226 OD2 ASP 47 -6.263 14.204 -7.522 1.00 0.00 ATOM 227 O ASP 47 -5.499 10.564 -8.941 1.00 0.00 ATOM 228 C ASP 47 -5.159 10.910 -7.805 1.00 0.00 ATOM 229 N GLY 48 -3.909 11.278 -7.522 1.00 0.00 ATOM 230 CA GLY 48 -2.902 11.322 -8.568 1.00 0.00 ATOM 231 O GLY 48 -1.238 9.802 -9.471 1.00 0.00 ATOM 232 C GLY 48 -2.137 9.998 -8.649 1.00 0.00 ATOM 233 N VAL 49 -2.552 9.094 -7.774 1.00 0.00 ATOM 234 CA VAL 49 -2.053 7.727 -7.743 1.00 0.00 ATOM 235 CB VAL 49 -1.683 7.229 -9.153 1.00 0.00 ATOM 236 CG1 VAL 49 -2.910 7.224 -10.055 1.00 0.00 ATOM 237 CG2 VAL 49 -0.631 8.133 -9.778 1.00 0.00 ATOM 238 O VAL 49 -0.063 6.627 -7.113 1.00 0.00 ATOM 239 C VAL 49 -0.820 7.575 -6.895 1.00 0.00 ATOM 240 N VAL 50 -0.596 8.470 -5.940 1.00 0.00 ATOM 241 CA VAL 50 0.652 8.417 -5.131 1.00 0.00 ATOM 242 CB VAL 50 1.462 9.721 -5.255 1.00 0.00 ATOM 243 CG1 VAL 50 1.900 9.941 -6.695 1.00 0.00 ATOM 244 CG2 VAL 50 0.621 10.913 -4.821 1.00 0.00 ATOM 245 O VAL 50 -0.580 8.773 -3.138 1.00 0.00 ATOM 246 C VAL 50 0.371 8.211 -3.664 1.00 0.00 ATOM 247 N PHE 58 1.208 7.389 -3.020 1.00 0.00 ATOM 248 CA PHE 58 1.177 7.223 -1.559 1.00 0.00 ATOM 249 CB PHE 58 1.843 5.905 -1.155 1.00 0.00 ATOM 250 CG PHE 58 1.028 4.688 -1.488 1.00 0.00 ATOM 251 CD1 PHE 58 1.307 3.938 -2.618 1.00 0.00 ATOM 252 CD2 PHE 58 -0.018 4.291 -0.671 1.00 0.00 ATOM 253 CE1 PHE 58 0.558 2.819 -2.924 1.00 0.00 ATOM 254 CE2 PHE 58 -0.767 3.171 -0.977 1.00 0.00 ATOM 255 CZ PHE 58 -0.482 2.436 -2.098 1.00 0.00 ATOM 256 O PHE 58 2.808 9.005 -1.571 1.00 0.00 ATOM 257 C PHE 58 1.941 8.409 -0.933 1.00 0.00 ATOM 258 N GLY 59 1.557 8.795 0.270 1.00 0.00 ATOM 259 CA GLY 59 2.215 9.982 0.892 1.00 0.00 ATOM 260 O GLY 59 4.467 10.918 0.612 1.00 0.00 ATOM 261 C GLY 59 3.757 9.918 0.894 1.00 0.00 ATOM 262 N ILE 60 4.294 8.723 1.117 1.00 0.00 ATOM 263 CA ILE 60 5.719 8.507 1.239 1.00 0.00 ATOM 264 CB ILE 60 6.037 7.049 1.623 1.00 0.00 ATOM 265 CG1 ILE 60 5.566 6.093 0.524 1.00 0.00 ATOM 266 CG2 ILE 60 5.337 6.674 2.920 1.00 0.00 ATOM 267 CD1 ILE 60 6.013 4.663 0.726 1.00 0.00 ATOM 268 O ILE 60 7.654 8.963 -0.125 1.00 0.00 ATOM 269 C ILE 60 6.429 8.806 -0.080 1.00 0.00 ATOM 270 N LEU 61 5.660 8.874 -1.169 1.00 0.00 ATOM 271 CA LEU 61 6.293 9.093 -2.460 1.00 0.00 ATOM 272 CB LEU 61 5.360 8.669 -3.595 1.00 0.00 ATOM 273 CG LEU 61 5.009 7.181 -3.664 1.00 0.00 ATOM 274 CD1 LEU 61 4.003 6.918 -4.773 1.00 0.00 ATOM 275 CD2 LEU 61 6.251 6.349 -3.943 1.00 0.00 ATOM 276 O LEU 61 7.516 10.852 -3.518 1.00 0.00 ATOM 277 C LEU 61 6.648 10.558 -2.672 1.00 0.00 ATOM 278 N VAL 62 5.982 11.440 -1.928 1.00 0.00 ATOM 279 CA VAL 62 6.281 12.883 -1.959 1.00 0.00 ATOM 280 CB VAL 62 5.144 13.708 -1.327 1.00 0.00 ATOM 281 CG1 VAL 62 3.841 13.479 -2.078 1.00 0.00 ATOM 282 CG2 VAL 62 4.938 13.307 0.125 1.00 0.00 ATOM 283 O VAL 62 8.026 12.267 -0.427 1.00 0.00 ATOM 284 C VAL 62 7.563 13.138 -1.176 1.00 0.00 ATOM 285 N SER 63 8.178 14.302 -1.405 1.00 0.00 ATOM 286 CA SER 63 9.487 14.593 -0.816 1.00 0.00 ATOM 287 CB SER 63 10.444 15.139 -1.878 1.00 0.00 ATOM 288 OG SER 63 9.958 16.350 -2.428 1.00 0.00 ATOM 289 O SER 63 10.430 16.148 0.747 1.00 0.00 ATOM 290 C SER 63 9.402 15.637 0.307 1.00 0.00 ATOM 291 N LYS 64 8.199 15.975 0.747 1.00 0.00 ATOM 292 CA LYS 64 8.044 16.990 1.789 1.00 0.00 ATOM 293 CB LYS 64 6.964 18.001 1.397 1.00 0.00 ATOM 294 CG LYS 64 7.301 18.820 0.162 1.00 0.00 ATOM 295 CD LYS 64 6.197 19.815 -0.158 1.00 0.00 ATOM 296 CE LYS 64 6.505 20.593 -1.426 1.00 0.00 ATOM 297 NZ LYS 64 5.461 21.612 -1.721 1.00 0.00 ATOM 298 O LYS 64 7.036 17.078 3.976 1.00 0.00 ATOM 299 C LYS 64 7.639 16.388 3.139 1.00 0.00 ATOM 300 N PRO 65 7.957 15.101 3.330 1.00 0.00 ATOM 301 CA PRO 65 7.621 14.361 4.564 1.00 0.00 ATOM 302 CB PRO 65 8.574 14.936 5.612 1.00 0.00 ATOM 303 CG PRO 65 8.862 16.321 5.137 1.00 0.00 ATOM 304 CD PRO 65 8.875 16.251 3.636 1.00 0.00 ATOM 305 O PRO 65 5.867 14.696 6.201 1.00 0.00 ATOM 306 C PRO 65 6.165 14.540 5.014 1.00 0.00 ATOM 307 N VAL 66 -3.384 5.691 8.233 1.00 0.00 ATOM 308 CA VAL 66 -3.579 5.814 9.674 1.00 0.00 ATOM 309 CB VAL 66 -4.831 6.648 10.004 1.00 0.00 ATOM 310 CG1 VAL 66 -4.693 8.059 9.448 1.00 0.00 ATOM 311 CG2 VAL 66 -6.071 6.012 9.398 1.00 0.00 ATOM 312 O VAL 66 -3.676 3.454 9.540 1.00 0.00 ATOM 313 C VAL 66 -3.744 4.441 10.254 1.00 0.00 ATOM 314 N ARG 67 -3.914 4.370 11.576 1.00 0.00 ATOM 315 CA ARG 67 -4.388 3.120 12.134 1.00 0.00 ATOM 316 CB ARG 67 -3.234 2.347 12.775 1.00 0.00 ATOM 317 CG ARG 67 -2.181 1.872 11.787 1.00 0.00 ATOM 318 CD ARG 67 -1.107 1.048 12.478 1.00 0.00 ATOM 319 NE ARG 67 -0.112 0.544 11.535 1.00 0.00 ATOM 320 CZ ARG 67 0.902 -0.247 11.870 1.00 0.00 ATOM 321 NH1 ARG 67 1.758 -0.657 10.944 1.00 0.00 ATOM 322 NH2 ARG 67 1.057 -0.628 13.130 1.00 0.00 ATOM 323 O ARG 67 -5.460 4.597 13.696 1.00 0.00 ATOM 324 C ARG 67 -5.427 3.465 13.177 1.00 0.00 ATOM 325 N LEU 68 -6.287 2.496 13.466 1.00 0.00 ATOM 326 CA LEU 68 -7.265 2.633 14.505 1.00 0.00 ATOM 327 CB LEU 68 -8.595 3.122 13.929 1.00 0.00 ATOM 328 CG LEU 68 -8.580 4.500 13.264 1.00 0.00 ATOM 329 CD1 LEU 68 -9.853 4.724 12.461 1.00 0.00 ATOM 330 CD2 LEU 68 -8.476 5.601 14.308 1.00 0.00 ATOM 331 O LEU 68 -6.933 0.267 14.671 1.00 0.00 ATOM 332 C LEU 68 -7.464 1.290 15.155 1.00 0.00 ATOM 333 N GLN 69 -8.225 1.296 16.248 1.00 0.00 ATOM 334 CA GLN 69 -8.469 0.073 17.006 1.00 0.00 ATOM 335 CB GLN 69 -8.000 0.237 18.453 1.00 0.00 ATOM 336 CG GLN 69 -6.501 0.434 18.602 1.00 0.00 ATOM 337 CD GLN 69 -6.080 0.623 20.047 1.00 0.00 ATOM 338 OE1 GLN 69 -6.907 0.580 20.956 1.00 0.00 ATOM 339 NE2 GLN 69 -4.784 0.831 20.260 1.00 0.00 ATOM 340 O GLN 69 -10.787 0.634 17.183 1.00 0.00 ATOM 341 C GLN 69 -9.938 -0.245 17.006 1.00 0.00 ATOM 342 N VAL 70 -10.281 -1.517 16.823 1.00 0.00 ATOM 343 CA VAL 70 -11.672 -1.856 16.764 1.00 0.00 ATOM 344 CB VAL 70 -11.877 -3.348 16.439 1.00 0.00 ATOM 345 CG1 VAL 70 -11.265 -3.688 15.089 1.00 0.00 ATOM 346 CG2 VAL 70 -11.218 -4.218 17.499 1.00 0.00 ATOM 347 O VAL 70 -11.528 -1.598 19.134 1.00 0.00 ATOM 348 C VAL 70 -12.259 -1.537 18.135 1.00 0.00 ATOM 349 N ASP 71 -13.545 -1.219 18.152 1.00 0.00 ATOM 350 CA ASP 71 -14.293 -0.914 19.376 1.00 0.00 ATOM 351 CB ASP 71 -15.516 -0.053 19.056 1.00 0.00 ATOM 352 CG ASP 71 -16.557 -0.797 18.243 1.00 0.00 ATOM 353 OD1 ASP 71 -16.445 -2.036 18.125 1.00 0.00 ATOM 354 OD2 ASP 71 -17.487 -0.143 17.725 1.00 0.00 ATOM 355 O ASP 71 -14.429 -3.279 19.695 1.00 0.00 ATOM 356 C ASP 71 -14.795 -2.177 20.085 1.00 0.00 ATOM 357 N GLU 72 -15.640 -2.017 21.110 1.00 0.00 ATOM 358 CA GLU 72 -16.086 -3.139 21.966 1.00 0.00 ATOM 359 CB GLU 72 -16.943 -2.623 23.123 1.00 0.00 ATOM 360 CG GLU 72 -16.169 -1.835 24.166 1.00 0.00 ATOM 361 CD GLU 72 -17.064 -1.263 25.248 1.00 0.00 ATOM 362 OE1 GLU 72 -18.297 -1.428 25.146 1.00 0.00 ATOM 363 OE2 GLU 72 -16.531 -0.649 26.196 1.00 0.00 ATOM 364 O GLU 72 -17.007 -5.343 21.714 1.00 0.00 ATOM 365 C GLU 72 -16.933 -4.205 21.258 1.00 0.00 ATOM 366 N GLY 73 -17.637 -3.805 20.206 1.00 0.00 ATOM 367 CA GLY 73 -18.451 -4.698 19.417 1.00 0.00 ATOM 368 O GLY 73 -18.283 -5.627 17.181 1.00 0.00 ATOM 369 C GLY 73 -17.680 -5.121 18.145 1.00 0.00 ATOM 370 N LYS 74 -16.387 -4.867 18.159 1.00 0.00 ATOM 371 CA LYS 74 -15.518 -5.184 17.022 1.00 0.00 ATOM 372 CB LYS 74 -15.942 -6.506 16.377 1.00 0.00 ATOM 373 CG LYS 74 -15.765 -7.720 17.275 1.00 0.00 ATOM 374 CD LYS 74 -16.244 -8.988 16.589 1.00 0.00 ATOM 375 CE LYS 74 -17.760 -9.106 16.643 1.00 0.00 ATOM 376 NZ LYS 74 -18.424 -8.145 15.721 1.00 0.00 ATOM 377 O LYS 74 -14.859 -4.331 14.879 1.00 0.00 ATOM 378 C LYS 74 -15.522 -4.150 15.910 1.00 0.00 ATOM 379 N ALA 75 -16.244 -3.057 16.128 1.00 0.00 ATOM 380 CA ALA 75 -16.512 -2.087 15.075 1.00 0.00 ATOM 381 CB ALA 75 -17.688 -1.201 15.458 1.00 0.00 ATOM 382 O ALA 75 -14.529 -0.833 15.603 1.00 0.00 ATOM 383 C ALA 75 -15.373 -1.153 14.761 1.00 0.00 ATOM 384 N ILE 77 -15.344 -0.706 13.502 1.00 0.00 ATOM 385 CA ILE 77 -14.393 0.324 13.080 1.00 0.00 ATOM 386 CB ILE 77 -13.093 -0.299 12.537 1.00 0.00 ATOM 387 CG1 ILE 77 -12.048 0.790 12.280 1.00 0.00 ATOM 388 CG2 ILE 77 -13.358 -1.030 11.230 1.00 0.00 ATOM 389 CD1 ILE 77 -11.439 1.362 13.539 1.00 0.00 ATOM 390 O ILE 77 -15.946 0.664 11.282 1.00 0.00 ATOM 391 C ILE 77 -15.065 1.140 11.983 1.00 0.00 ATOM 392 N GLU 78 -14.665 2.394 11.873 1.00 0.00 ATOM 393 CA GLU 78 -15.112 3.199 10.746 1.00 0.00 ATOM 394 CB GLU 78 -16.541 3.696 10.977 1.00 0.00 ATOM 395 CG GLU 78 -16.686 4.638 12.159 1.00 0.00 ATOM 396 CD GLU 78 -18.126 5.043 12.409 1.00 0.00 ATOM 397 OE1 GLU 78 -19.011 4.583 11.657 1.00 0.00 ATOM 398 OE2 GLU 78 -18.369 5.822 13.355 1.00 0.00 ATOM 399 O GLU 78 -13.495 4.752 11.565 1.00 0.00 ATOM 400 C GLU 78 -14.191 4.372 10.606 1.00 0.00 ATOM 401 N THR 79 -14.147 4.935 9.399 1.00 0.00 ATOM 402 CA THR 79 -13.286 6.079 9.133 1.00 0.00 ATOM 403 CB THR 79 -11.799 5.678 9.134 1.00 0.00 ATOM 404 CG2 THR 79 -11.504 4.724 7.988 1.00 0.00 ATOM 405 OG1 THR 79 -10.986 6.849 8.984 1.00 0.00 ATOM 406 O THR 79 -14.256 5.978 6.930 1.00 0.00 ATOM 407 C THR 79 -13.638 6.647 7.774 1.00 0.00 ATOM 408 N ILE 81 -13.314 7.926 7.615 1.00 0.00 ATOM 409 CA ILE 81 -13.346 8.571 6.311 1.00 0.00 ATOM 410 CB ILE 81 -13.560 10.091 6.440 1.00 0.00 ATOM 411 CG1 ILE 81 -14.919 10.385 7.079 1.00 0.00 ATOM 412 CG2 ILE 81 -13.518 10.753 5.071 1.00 0.00 ATOM 413 CD1 ILE 81 -15.102 11.831 7.487 1.00 0.00 ATOM 414 O ILE 81 -10.907 8.338 6.204 1.00 0.00 ATOM 415 C ILE 81 -11.990 8.310 5.607 1.00 0.00 ATOM 416 N ARG 82 -12.066 8.075 4.303 1.00 0.00 ATOM 417 CA ARG 82 -10.879 7.891 3.484 1.00 0.00 ATOM 418 CB ARG 82 -10.547 6.404 3.347 1.00 0.00 ATOM 419 CG ARG 82 -11.594 5.601 2.592 1.00 0.00 ATOM 420 CD ARG 82 -11.202 4.136 2.494 1.00 0.00 ATOM 421 NE ARG 82 -12.215 3.344 1.800 1.00 0.00 ATOM 422 CZ ARG 82 -12.277 3.199 0.482 1.00 0.00 ATOM 423 NH1 ARG 82 -13.234 2.458 -0.061 1.00 0.00 ATOM 424 NH2 ARG 82 -11.382 3.795 -0.294 1.00 0.00 ATOM 425 O ARG 82 -12.126 9.305 2.052 1.00 0.00 ATOM 426 C ARG 82 -11.219 8.492 2.153 1.00 0.00 ATOM 427 N THR 83 -10.499 8.110 1.112 1.00 0.00 ATOM 428 CA THR 83 -10.916 8.548 -0.220 1.00 0.00 ATOM 429 CB THR 83 -9.834 9.411 -0.896 1.00 0.00 ATOM 430 CG2 THR 83 -9.528 10.637 -0.049 1.00 0.00 ATOM 431 OG1 THR 83 -8.634 8.644 -1.051 1.00 0.00 ATOM 432 O THR 83 -10.584 6.279 -0.929 1.00 0.00 ATOM 433 C THR 83 -11.178 7.353 -1.103 1.00 0.00 ATOM 434 N VAL 85 -12.119 7.511 -2.004 1.00 0.00 ATOM 435 CA VAL 85 -12.428 6.442 -2.947 1.00 0.00 ATOM 436 CB VAL 85 -13.515 6.871 -3.950 1.00 0.00 ATOM 437 CG1 VAL 85 -13.749 5.779 -4.982 1.00 0.00 ATOM 438 CG2 VAL 85 -14.827 7.141 -3.230 1.00 0.00 ATOM 439 O VAL 85 -10.485 6.942 -4.271 1.00 0.00 ATOM 440 C VAL 85 -11.147 6.086 -3.723 1.00 0.00 ATOM 441 N PRO 86 -10.748 4.820 -3.682 1.00 0.00 ATOM 442 CA PRO 86 -9.508 4.403 -4.338 1.00 0.00 ATOM 443 CB PRO 86 -9.278 2.980 -3.823 1.00 0.00 ATOM 444 CG PRO 86 -10.643 2.478 -3.491 1.00 0.00 ATOM 445 CD PRO 86 -11.411 3.664 -2.976 1.00 0.00 ATOM 446 O PRO 86 -10.728 4.130 -6.372 1.00 0.00 ATOM 447 C PRO 86 -9.656 4.429 -5.847 1.00 0.00 ATOM 448 N ALA 87 -8.567 4.735 -6.520 1.00 0.00 ATOM 449 CA ALA 87 -8.520 4.695 -7.993 1.00 0.00 ATOM 450 CB ALA 87 -8.604 6.103 -8.565 1.00 0.00 ATOM 451 O ALA 87 -6.178 4.014 -7.732 1.00 0.00 ATOM 452 C ALA 87 -7.183 4.040 -8.468 1.00 0.00 ATOM 453 N GLY 88 -7.207 3.550 -9.703 1.00 0.00 ATOM 454 CA GLY 88 -6.071 2.806 -10.265 1.00 0.00 ATOM 455 O GLY 88 -4.878 4.898 -10.579 1.00 0.00 ATOM 456 C GLY 88 -4.804 3.654 -10.352 1.00 0.00 ATOM 457 N CYS 89 -3.630 3.014 -10.189 1.00 0.00 ATOM 458 CA CYS 89 -2.350 3.691 -10.341 1.00 0.00 ATOM 459 CB CYS 89 -1.870 4.239 -8.995 1.00 0.00 ATOM 460 SG CYS 89 -1.530 2.971 -7.752 1.00 0.00 ATOM 461 O CYS 89 -1.559 1.439 -10.677 1.00 0.00 ATOM 462 C CYS 89 -1.363 2.648 -10.875 1.00 0.00 ATOM 463 N ILE 90 -0.308 3.085 -11.548 1.00 0.00 ATOM 464 CA ILE 90 0.728 2.129 -11.966 1.00 0.00 ATOM 465 CB ILE 90 1.506 2.640 -13.192 1.00 0.00 ATOM 466 CG1 ILE 90 0.574 2.773 -14.398 1.00 0.00 ATOM 467 CG2 ILE 90 2.627 1.677 -13.552 1.00 0.00 ATOM 468 CD1 ILE 90 1.191 3.507 -15.568 1.00 0.00 ATOM 469 O ILE 90 2.248 2.741 -10.222 1.00 0.00 ATOM 470 C ILE 90 1.771 1.839 -10.897 1.00 0.00 ATOM 471 N VAL 91 2.203 0.582 -10.811 1.00 0.00 ATOM 472 CA VAL 91 3.409 0.260 -10.071 1.00 0.00 ATOM 473 CB VAL 91 3.704 -1.251 -10.102 1.00 0.00 ATOM 474 CG1 VAL 91 2.567 -2.028 -9.458 1.00 0.00 ATOM 475 CG2 VAL 91 3.863 -1.732 -11.536 1.00 0.00 ATOM 476 O VAL 91 4.622 1.447 -11.773 1.00 0.00 ATOM 477 C VAL 91 4.660 0.973 -10.637 1.00 0.00 ATOM 478 N PRO 92 5.736 1.064 -9.852 1.00 0.00 ATOM 479 CA PRO 92 6.964 1.728 -10.333 1.00 0.00 ATOM 480 CB PRO 92 7.963 1.532 -9.192 1.00 0.00 ATOM 481 CG PRO 92 7.114 1.350 -7.979 1.00 0.00 ATOM 482 CD PRO 92 5.904 0.581 -8.428 1.00 0.00 ATOM 483 O PRO 92 7.612 -0.173 -11.624 1.00 0.00 ATOM 484 C PRO 92 7.412 1.049 -11.629 1.00 0.00 ATOM 485 N ILE 93 7.515 1.805 -12.727 1.00 0.00 ATOM 486 CA ILE 93 7.706 1.191 -14.025 1.00 0.00 ATOM 487 CB ILE 93 6.424 1.257 -14.875 1.00 0.00 ATOM 488 CG1 ILE 93 6.008 2.713 -15.098 1.00 0.00 ATOM 489 CG2 ILE 93 5.284 0.531 -14.178 1.00 0.00 ATOM 490 CD1 ILE 93 4.912 2.884 -16.129 1.00 0.00 ATOM 491 O ILE 93 8.862 1.748 -16.047 1.00 0.00 ATOM 492 C ILE 93 8.812 1.872 -14.834 1.00 0.00 ATOM 493 N VAL 94 9.711 2.583 -14.145 1.00 0.00 ATOM 494 CA VAL 94 10.831 3.228 -14.833 1.00 0.00 ATOM 495 CB VAL 94 11.109 4.632 -14.266 1.00 0.00 ATOM 496 CG1 VAL 94 9.901 5.535 -14.464 1.00 0.00 ATOM 497 CG2 VAL 94 11.413 4.555 -12.778 1.00 0.00 ATOM 498 O VAL 94 13.197 2.925 -15.042 1.00 0.00 ATOM 499 C VAL 94 12.118 2.425 -14.698 1.00 0.00 ATOM 500 N PHE 95 11.995 1.193 -14.180 1.00 0.00 ATOM 501 CA PHE 95 13.153 0.327 -13.962 1.00 0.00 ATOM 502 CB PHE 95 13.243 -0.087 -12.492 1.00 0.00 ATOM 503 CG PHE 95 13.494 1.059 -11.554 1.00 0.00 ATOM 504 CD1 PHE 95 12.462 1.602 -10.809 1.00 0.00 ATOM 505 CD2 PHE 95 14.763 1.594 -11.416 1.00 0.00 ATOM 506 CE1 PHE 95 12.693 2.657 -9.947 1.00 0.00 ATOM 507 CE2 PHE 95 14.994 2.649 -10.553 1.00 0.00 ATOM 508 CZ PHE 95 13.966 3.180 -9.820 1.00 0.00 ATOM 509 O PHE 95 12.244 -0.961 -15.770 1.00 0.00 ATOM 510 C PHE 95 13.039 -0.931 -14.813 1.00 0.00 ATOM 511 N ASN 98 13.827 -1.971 -14.519 1.00 0.00 ATOM 512 CA ASN 98 13.783 -3.190 -15.348 1.00 0.00 ATOM 513 CB ASN 98 14.725 -4.256 -14.783 1.00 0.00 ATOM 514 CG ASN 98 16.185 -3.927 -15.023 1.00 0.00 ATOM 515 ND2 ASN 98 17.065 -4.545 -14.243 1.00 0.00 ATOM 516 OD1 ASN 98 16.518 -3.128 -15.897 1.00 0.00 ATOM 517 O ASN 98 12.026 -4.331 -16.504 1.00 0.00 ATOM 518 C ASN 98 12.409 -3.828 -15.433 1.00 0.00 ATOM 519 N TYR 99 11.674 -3.817 -14.318 1.00 0.00 ATOM 520 CA TYR 99 10.350 -4.398 -14.305 1.00 0.00 ATOM 521 CB TYR 99 9.722 -4.268 -12.917 1.00 0.00 ATOM 522 CG TYR 99 8.315 -4.815 -12.827 1.00 0.00 ATOM 523 CD1 TYR 99 8.090 -6.180 -12.701 1.00 0.00 ATOM 524 CD2 TYR 99 7.216 -3.966 -12.870 1.00 0.00 ATOM 525 CE1 TYR 99 6.807 -6.691 -12.619 1.00 0.00 ATOM 526 CE2 TYR 99 5.928 -4.459 -12.790 1.00 0.00 ATOM 527 CZ TYR 99 5.730 -5.834 -12.663 1.00 0.00 ATOM 528 OH TYR 99 4.453 -6.338 -12.582 1.00 0.00 ATOM 529 O TYR 99 8.802 -4.304 -16.119 1.00 0.00 ATOM 530 C TYR 99 9.474 -3.665 -15.325 1.00 0.00 ATOM 531 N VAL 100 9.502 -2.326 -15.311 1.00 0.00 ATOM 532 CA VAL 100 8.800 -1.533 -16.321 1.00 0.00 ATOM 533 CB VAL 100 9.087 -0.029 -16.157 1.00 0.00 ATOM 534 CG1 VAL 100 8.514 0.754 -17.329 1.00 0.00 ATOM 535 CG2 VAL 100 8.459 0.496 -14.875 1.00 0.00 ATOM 536 O VAL 100 8.268 -2.011 -18.608 1.00 0.00 ATOM 537 C VAL 100 9.170 -1.868 -17.767 1.00 0.00 ATOM 538 N ALA 101 10.469 -2.119 -18.018 1.00 0.00 ATOM 539 CA ALA 101 10.959 -2.495 -19.350 1.00 0.00 ATOM 540 CB ALA 101 12.478 -2.573 -19.353 1.00 0.00 ATOM 541 O ALA 101 10.038 -3.982 -20.934 1.00 0.00 ATOM 542 C ALA 101 10.438 -3.818 -19.785 1.00 0.00 ATOM 543 N ALA 102 10.403 -4.782 -18.850 1.00 0.00 ATOM 544 CA ALA 102 9.854 -6.087 -19.150 1.00 0.00 ATOM 545 CB ALA 102 10.056 -7.029 -17.973 1.00 0.00 ATOM 546 O ALA 102 7.845 -6.576 -20.397 1.00 0.00 ATOM 547 C ALA 102 8.347 -5.987 -19.440 1.00 0.00 ATOM 548 N LEU 103 7.601 -5.284 -18.593 1.00 0.00 ATOM 549 CA LEU 103 6.198 -5.040 -18.887 1.00 0.00 ATOM 550 CB LEU 103 5.584 -4.109 -17.841 1.00 0.00 ATOM 551 CG LEU 103 5.569 -4.624 -16.400 1.00 0.00 ATOM 552 CD1 LEU 103 5.057 -3.554 -15.451 1.00 0.00 ATOM 553 CD2 LEU 103 4.665 -5.842 -16.276 1.00 0.00 ATOM 554 O LEU 103 5.168 -4.829 -21.055 1.00 0.00 ATOM 555 C LEU 103 6.003 -4.380 -20.274 1.00 0.00 ATOM 556 N ARG 104 7.993 -4.429 -22.934 1.00 0.00 ATOM 557 CA ARG 104 8.369 -5.393 -23.993 1.00 0.00 ATOM 558 CB ARG 104 9.702 -6.063 -23.659 1.00 0.00 ATOM 559 CG ARG 104 10.905 -5.142 -23.777 1.00 0.00 ATOM 560 CD ARG 104 12.184 -5.844 -23.349 1.00 0.00 ATOM 561 NE ARG 104 13.347 -4.966 -23.435 1.00 0.00 ATOM 562 CZ ARG 104 14.566 -5.296 -23.018 1.00 0.00 ATOM 563 NH1 ARG 104 15.564 -4.431 -23.136 1.00 0.00 ATOM 564 NH2 ARG 104 14.783 -6.490 -22.485 1.00 0.00 ATOM 565 O ARG 104 7.187 -7.016 -25.334 1.00 0.00 ATOM 566 C ARG 104 7.354 -6.519 -24.197 1.00 0.00 ATOM 567 N ALA 105 6.590 -6.867 -23.145 1.00 0.00 ATOM 568 CA ALA 105 5.595 -7.922 -23.247 1.00 0.00 ATOM 569 CB ALA 105 5.572 -8.755 -21.975 1.00 0.00 ATOM 570 O ALA 105 3.228 -8.209 -23.444 1.00 0.00 ATOM 571 C ALA 105 4.170 -7.413 -23.463 1.00 0.00 ATOM 572 N GLY 106 4.032 -6.096 -23.641 1.00 0.00 ATOM 573 CA GLY 106 2.751 -5.442 -23.922 1.00 0.00 ATOM 574 O GLY 106 0.584 -5.462 -22.896 1.00 0.00 ATOM 575 C GLY 106 1.790 -5.464 -22.721 1.00 0.00 ATOM 576 N LYS 107 2.370 -5.558 -21.528 1.00 0.00 ATOM 577 CA LYS 107 1.626 -5.550 -20.275 1.00 0.00 ATOM 578 CB LYS 107 2.247 -6.530 -19.277 1.00 0.00 ATOM 579 CG LYS 107 2.218 -7.980 -19.733 1.00 0.00 ATOM 580 CD LYS 107 2.804 -8.902 -18.677 1.00 0.00 ATOM 581 CE LYS 107 2.726 -10.358 -19.109 1.00 0.00 ATOM 582 NZ LYS 107 3.247 -11.278 -18.062 1.00 0.00 ATOM 583 O LYS 107 2.588 -3.385 -19.878 1.00 0.00 ATOM 584 C LYS 107 1.657 -4.164 -19.683 1.00 0.00 ATOM 585 N HIS 108 0.646 -3.909 -18.872 1.00 0.00 ATOM 586 CA HIS 108 0.475 -2.614 -18.207 1.00 0.00 ATOM 587 CB HIS 108 -0.999 -2.206 -18.203 1.00 0.00 ATOM 588 CG HIS 108 -1.599 -2.091 -19.570 1.00 0.00 ATOM 589 CD2 HIS 108 -2.598 -2.828 -20.331 1.00 0.00 ATOM 590 ND1 HIS 108 -1.232 -1.109 -20.464 1.00 0.00 ATOM 591 CE1 HIS 108 -1.938 -1.263 -21.598 1.00 0.00 ATOM 592 NE2 HIS 108 -2.759 -2.292 -21.525 1.00 0.00 ATOM 593 O HIS 108 0.778 -3.718 -16.132 1.00 0.00 ATOM 594 C HIS 108 0.958 -2.683 -16.766 1.00 0.00 ATOM 595 N LEU 109 -7.855 -0.305 -1.361 1.00 0.00 ATOM 596 CA LEU 109 -7.463 0.241 -0.077 1.00 0.00 ATOM 597 CB LEU 109 -8.689 0.744 0.689 1.00 0.00 ATOM 598 CG LEU 109 -8.417 1.425 2.031 1.00 0.00 ATOM 599 CD1 LEU 109 -7.648 2.723 1.828 1.00 0.00 ATOM 600 CD2 LEU 109 -9.722 1.753 2.742 1.00 0.00 ATOM 601 O LEU 109 -7.323 -2.015 0.742 1.00 0.00 ATOM 602 C LEU 109 -6.783 -0.905 0.684 1.00 0.00 ATOM 603 N LYS 110 -5.603 -0.641 1.219 1.00 0.00 ATOM 604 CA LYS 110 -4.899 -1.665 1.995 1.00 0.00 ATOM 605 CB LYS 110 -3.390 -1.416 1.964 1.00 0.00 ATOM 606 CG LYS 110 -2.760 -1.584 0.592 1.00 0.00 ATOM 607 CD LYS 110 -1.276 -1.262 0.620 1.00 0.00 ATOM 608 CE LYS 110 -0.637 -1.473 -0.743 1.00 0.00 ATOM 609 NZ LYS 110 0.820 -1.166 -0.728 1.00 0.00 ATOM 610 O LYS 110 -5.552 -0.666 4.039 1.00 0.00 ATOM 611 C LYS 110 -5.298 -1.706 3.429 1.00 0.00 ATOM 612 N LEU 111 -5.212 -2.928 3.975 1.00 0.00 ATOM 613 CA LEU 111 -5.530 -3.222 5.379 1.00 0.00 ATOM 614 CB LEU 111 -6.919 -3.854 5.493 1.00 0.00 ATOM 615 CG LEU 111 -8.103 -2.961 5.120 1.00 0.00 ATOM 616 CD1 LEU 111 -9.394 -3.765 5.081 1.00 0.00 ATOM 617 CD2 LEU 111 -8.272 -1.839 6.135 1.00 0.00 ATOM 618 O LEU 111 -4.110 -5.144 5.210 1.00 0.00 ATOM 619 C LEU 111 -4.477 -4.187 5.893 1.00 0.00 ATOM 620 N ALA 112 -3.915 -3.888 7.056 1.00 0.00 ATOM 621 CA ALA 112 -3.196 -4.912 7.789 1.00 0.00 ATOM 622 CB ALA 112 -1.707 -4.606 7.806 1.00 0.00 ATOM 623 O ALA 112 -3.711 -3.884 9.927 1.00 0.00 ATOM 624 C ALA 112 -3.742 -4.924 9.206 1.00 0.00 ATOM 625 N MET 113 -4.215 -6.103 9.605 1.00 0.00 ATOM 626 CA MET 113 -4.973 -6.239 10.841 1.00 0.00 ATOM 627 CB MET 113 -6.386 -6.744 10.549 1.00 0.00 ATOM 628 CG MET 113 -7.235 -5.783 9.733 1.00 0.00 ATOM 629 SD MET 113 -8.878 -6.433 9.377 1.00 0.00 ATOM 630 CE MET 113 -8.487 -7.706 8.179 1.00 0.00 ATOM 631 O MET 113 -3.896 -8.342 11.278 1.00 0.00 ATOM 632 C MET 113 -4.247 -7.233 11.731 1.00 0.00 ATOM 633 N THR 114 -3.977 -6.817 12.965 1.00 0.00 ATOM 634 CA THR 114 -3.322 -7.700 13.945 1.00 0.00 ATOM 635 CB THR 114 -1.904 -7.211 14.286 1.00 0.00 ATOM 636 CG2 THR 114 -1.048 -7.140 13.031 1.00 0.00 ATOM 637 OG1 THR 114 -1.973 -5.906 14.874 1.00 0.00 ATOM 638 O THR 114 -4.741 -6.753 15.626 1.00 0.00 ATOM 639 C THR 114 -4.117 -7.746 15.218 1.00 0.00 ATOM 640 N ALA 117 -4.041 -8.894 15.866 1.00 0.00 ATOM 641 CA ALA 117 -4.647 -9.083 17.182 1.00 0.00 ATOM 642 CB ALA 117 -6.133 -9.378 17.045 1.00 0.00 ATOM 643 O ALA 117 -3.437 -11.168 17.196 1.00 0.00 ATOM 644 C ALA 117 -3.937 -10.269 17.855 1.00 0.00 ATOM 645 N PRO 118 -3.874 -10.259 19.174 1.00 0.00 ATOM 646 CA PRO 118 -3.176 -11.327 19.906 1.00 0.00 ATOM 647 CB PRO 118 -3.405 -10.976 21.379 1.00 0.00 ATOM 648 CG PRO 118 -3.648 -9.504 21.378 1.00 0.00 ATOM 649 CD PRO 118 -4.415 -9.207 20.121 1.00 0.00 ATOM 650 O PRO 118 -4.924 -12.966 19.714 1.00 0.00 ATOM 651 C PRO 118 -3.718 -12.733 19.597 1.00 0.00 ATOM 652 N GLY 119 -2.847 -13.640 19.142 1.00 0.00 ATOM 653 CA GLY 119 -3.220 -15.018 18.862 1.00 0.00 ATOM 654 O GLY 119 -4.339 -16.417 17.190 1.00 0.00 ATOM 655 C GLY 119 -3.923 -15.271 17.522 1.00 0.00 ATOM 656 N GLU 120 -4.071 -14.192 16.752 1.00 0.00 ATOM 657 CA GLU 120 -4.668 -14.272 15.439 1.00 0.00 ATOM 658 CB GLU 120 -5.633 -13.107 15.218 1.00 0.00 ATOM 659 CG GLU 120 -6.834 -13.110 16.151 1.00 0.00 ATOM 660 CD GLU 120 -7.792 -11.968 15.873 1.00 0.00 ATOM 661 OE1 GLU 120 -7.488 -11.140 14.990 1.00 0.00 ATOM 662 OE2 GLU 120 -8.847 -11.902 16.539 1.00 0.00 ATOM 663 O GLU 120 -2.491 -13.635 14.597 1.00 0.00 ATOM 664 C GLU 120 -3.588 -14.216 14.377 1.00 0.00 ATOM 665 N PRO 121 -3.856 -14.812 13.233 1.00 0.00 ATOM 666 CA PRO 121 -2.877 -14.749 12.145 1.00 0.00 ATOM 667 CB PRO 121 -3.339 -15.833 11.168 1.00 0.00 ATOM 668 CG PRO 121 -4.800 -15.976 11.433 1.00 0.00 ATOM 669 CD PRO 121 -4.989 -15.693 12.897 1.00 0.00 ATOM 670 O PRO 121 -4.090 -12.893 11.308 1.00 0.00 ATOM 671 C PRO 121 -2.973 -13.348 11.584 1.00 0.00 ATOM 672 N PRO 122 -1.841 -12.644 11.457 1.00 0.00 ATOM 673 CA PRO 122 -1.873 -11.278 10.958 1.00 0.00 ATOM 674 CB PRO 122 -0.404 -10.849 10.962 1.00 0.00 ATOM 675 CG PRO 122 0.236 -11.714 11.994 1.00 0.00 ATOM 676 CD PRO 122 -0.432 -13.056 11.885 1.00 0.00 ATOM 677 O PRO 122 -2.101 -12.158 8.763 1.00 0.00 ATOM 678 C PRO 122 -2.479 -11.319 9.559 1.00 0.00 ATOM 679 N LEU 126 -3.388 -10.393 9.253 1.00 0.00 ATOM 680 CA LEU 126 -4.002 -10.330 7.939 1.00 0.00 ATOM 681 CB LEU 126 -5.515 -10.136 8.062 1.00 0.00 ATOM 682 CG LEU 126 -6.281 -11.225 8.816 1.00 0.00 ATOM 683 CD1 LEU 126 -7.755 -10.870 8.925 1.00 0.00 ATOM 684 CD2 LEU 126 -6.164 -12.560 8.094 1.00 0.00 ATOM 685 O LEU 126 -3.533 -7.993 7.552 1.00 0.00 ATOM 686 C LEU 126 -3.412 -9.147 7.137 1.00 0.00 ATOM 687 N PHE 127 -2.796 -9.436 6.002 1.00 0.00 ATOM 688 CA PHE 127 -2.388 -8.390 5.028 1.00 0.00 ATOM 689 CB PHE 127 -0.929 -8.584 4.616 1.00 0.00 ATOM 690 CG PHE 127 0.052 -8.343 5.728 1.00 0.00 ATOM 691 CD1 PHE 127 0.448 -9.378 6.558 1.00 0.00 ATOM 692 CD2 PHE 127 0.581 -7.082 5.944 1.00 0.00 ATOM 693 CE1 PHE 127 1.350 -9.156 7.581 1.00 0.00 ATOM 694 CE2 PHE 127 1.482 -6.861 6.967 1.00 0.00 ATOM 695 CZ PHE 127 1.868 -7.891 7.784 1.00 0.00 ATOM 696 O PHE 127 -3.373 -9.576 3.206 1.00 0.00 ATOM 697 C PHE 127 -3.317 -8.545 3.812 1.00 0.00 ATOM 698 N VAL 128 -4.053 -7.501 3.466 1.00 0.00 ATOM 699 CA VAL 128 -5.048 -7.614 2.439 1.00 0.00 ATOM 700 CB VAL 128 -6.364 -8.195 2.990 1.00 0.00 ATOM 701 CG1 VAL 128 -6.151 -9.614 3.494 1.00 0.00 ATOM 702 CG2 VAL 128 -6.878 -7.346 4.142 1.00 0.00 ATOM 703 O VAL 128 -4.702 -5.254 2.225 1.00 0.00 ATOM 704 C VAL 128 -5.336 -6.234 1.854 1.00 0.00 ATOM 705 N GLN 129 -6.221 -6.206 0.882 1.00 0.00 ATOM 706 CA GLN 129 -6.856 -4.979 0.456 1.00 0.00 ATOM 707 CB GLN 129 -6.014 -4.285 -0.617 1.00 0.00 ATOM 708 CG GLN 129 -5.803 -5.114 -1.873 1.00 0.00 ATOM 709 CD GLN 129 -4.898 -4.429 -2.879 1.00 0.00 ATOM 710 OE1 GLN 129 -3.698 -4.282 -2.648 1.00 0.00 ATOM 711 NE2 GLN 129 -5.473 -4.005 -3.998 1.00 0.00 ATOM 712 O GLN 129 -8.536 -6.376 -0.485 1.00 0.00 ATOM 713 C GLN 129 -8.205 -5.225 -0.118 1.00 0.00 TER END