PFRMAT TS TARGET T0550 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 T0550 model 4 Fri May 21 06:45:52 2010 MODEL 4 PARENT N/A ATOM 2 N VAL 46 20.865 -29.043 37.629 1.00 0.00 ATOM 3 CA VAL 46 19.713 -28.645 36.829 1.00 0.00 ATOM 4 CB VAL 46 19.037 -27.386 37.402 1.00 0.00 ATOM 5 CG1 VAL 46 17.679 -27.168 36.752 1.00 0.00 ATOM 6 CG2 VAL 46 18.897 -27.495 38.913 1.00 0.00 ATOM 7 O VAL 46 20.946 -27.529 35.084 1.00 0.00 ATOM 8 C VAL 46 20.094 -28.399 35.375 1.00 0.00 ATOM 9 N THR 47 19.475 -29.160 34.468 1.00 0.00 ATOM 10 CA THR 47 19.526 -28.821 33.056 1.00 0.00 ATOM 11 CB THR 47 19.026 -29.985 32.179 1.00 0.00 ATOM 12 CG2 THR 47 19.093 -29.608 30.707 1.00 0.00 ATOM 13 OG1 THR 47 19.848 -31.138 32.395 1.00 0.00 ATOM 14 O THR 47 17.560 -27.426 33.285 1.00 0.00 ATOM 15 C THR 47 18.689 -27.565 32.798 1.00 0.00 ATOM 16 N THR 48 19.268 -26.634 32.051 1.00 0.00 ATOM 17 CA THR 48 18.563 -25.423 31.587 1.00 0.00 ATOM 18 CB THR 48 19.360 -24.147 31.918 1.00 0.00 ATOM 19 CG2 THR 48 19.566 -24.021 33.419 1.00 0.00 ATOM 20 OG1 THR 48 20.643 -24.203 31.282 1.00 0.00 ATOM 21 O THR 48 19.169 -25.931 29.338 1.00 0.00 ATOM 22 C THR 48 18.304 -25.490 30.087 1.00 0.00 ATOM 23 N ILE 49 17.093 -25.081 29.687 1.00 0.00 ATOM 24 CA ILE 49 16.662 -25.010 28.290 1.00 0.00 ATOM 25 CB ILE 49 15.418 -25.883 28.040 1.00 0.00 ATOM 26 CG1 ILE 49 15.662 -27.312 28.526 1.00 0.00 ATOM 27 CG2 ILE 49 15.027 -25.842 26.569 1.00 0.00 ATOM 28 CD1 ILE 49 16.826 -27.998 27.845 1.00 0.00 ATOM 29 O ILE 49 15.669 -22.834 28.638 1.00 0.00 ATOM 30 C ILE 49 16.392 -23.541 27.934 1.00 0.00 ATOM 31 N TYR 50 17.032 -23.082 26.869 1.00 0.00 ATOM 32 CA TYR 50 16.986 -21.694 26.463 1.00 0.00 ATOM 33 CB TYR 50 17.898 -20.846 27.351 1.00 0.00 ATOM 34 CG TYR 50 19.361 -21.219 27.263 1.00 0.00 ATOM 35 CD1 TYR 50 20.207 -20.573 26.372 1.00 0.00 ATOM 36 CD2 TYR 50 19.889 -22.218 28.071 1.00 0.00 ATOM 37 CE1 TYR 50 21.545 -20.908 26.284 1.00 0.00 ATOM 38 CE2 TYR 50 21.225 -22.567 27.997 1.00 0.00 ATOM 39 CZ TYR 50 22.053 -21.901 27.094 1.00 0.00 ATOM 40 OH TYR 50 23.384 -22.237 27.008 1.00 0.00 ATOM 41 O TYR 50 18.034 -22.446 24.447 1.00 0.00 ATOM 42 C TYR 50 17.391 -21.570 25.002 1.00 0.00 ATOM 43 N VAL 51 17.019 -20.460 24.390 1.00 0.00 ATOM 44 CA VAL 51 17.411 -20.179 23.030 1.00 0.00 ATOM 45 CB VAL 51 16.532 -19.080 22.405 1.00 0.00 ATOM 46 CG1 VAL 51 15.076 -19.521 22.363 1.00 0.00 ATOM 47 CG2 VAL 51 16.675 -17.778 23.180 1.00 0.00 ATOM 48 O VAL 51 19.389 -19.018 23.831 1.00 0.00 ATOM 49 C VAL 51 18.896 -19.770 22.986 1.00 0.00 ATOM 53 N LYS 54 19.576 -20.265 21.961 1.00 0.00 ATOM 54 CA LYS 54 20.934 -19.930 21.720 1.00 0.00 ATOM 55 CB LYS 54 21.444 -20.637 20.462 1.00 0.00 ATOM 56 CG LYS 54 22.910 -20.375 20.154 1.00 0.00 ATOM 57 CD LYS 54 23.370 -21.168 18.942 1.00 0.00 ATOM 58 CE LYS 54 24.829 -20.888 18.620 1.00 0.00 ATOM 59 NZ LYS 54 25.293 -21.657 17.433 1.00 0.00 ATOM 60 O LYS 54 22.190 -17.909 22.001 1.00 0.00 ATOM 61 C LYS 54 21.172 -18.424 21.570 1.00 0.00 ATOM 62 N ASP 55 20.254 -17.725 20.939 1.00 0.00 ATOM 63 CA ASP 55 20.274 -16.266 20.974 1.00 0.00 ATOM 64 CB ASP 55 20.825 -15.707 19.661 1.00 0.00 ATOM 65 CG ASP 55 22.286 -16.055 19.448 1.00 0.00 ATOM 66 OD1 ASP 55 23.095 -15.810 20.367 1.00 0.00 ATOM 67 OD2 ASP 55 22.622 -16.570 18.361 1.00 0.00 ATOM 68 O ASP 55 17.878 -16.412 20.996 1.00 0.00 ATOM 69 C ASP 55 18.874 -15.728 21.239 1.00 0.00 ATOM 70 N ASN 56 18.815 -14.548 21.852 1.00 0.00 ATOM 71 CA ASN 56 17.538 -13.944 22.237 1.00 0.00 ATOM 72 CB ASN 56 17.739 -12.955 23.387 1.00 0.00 ATOM 73 CG ASN 56 16.429 -12.514 24.012 1.00 0.00 ATOM 74 ND2 ASN 56 16.395 -11.280 24.502 1.00 0.00 ATOM 75 OD1 ASN 56 15.462 -13.275 24.051 1.00 0.00 ATOM 76 O ASN 56 15.604 -12.896 21.256 1.00 0.00 ATOM 77 C ASN 56 16.789 -13.231 21.112 1.00 0.00 ATOM 78 N GLY 57 11.010 -12.310 2.606 1.00 0.00 ATOM 79 CA GLY 57 11.093 -13.339 1.585 1.00 0.00 ATOM 80 O GLY 57 12.178 -15.401 1.132 1.00 0.00 ATOM 81 C GLY 57 11.951 -14.535 1.971 1.00 0.00 ATOM 82 N LYS 58 12.446 -14.584 3.210 1.00 0.00 ATOM 83 CA LYS 58 13.360 -15.660 3.618 1.00 0.00 ATOM 84 CB LYS 58 13.975 -15.350 4.984 1.00 0.00 ATOM 85 CG LYS 58 14.929 -14.167 4.981 1.00 0.00 ATOM 86 CD LYS 58 15.502 -13.917 6.367 1.00 0.00 ATOM 87 CE LYS 58 16.463 -12.737 6.363 1.00 0.00 ATOM 88 NZ LYS 58 17.015 -12.467 7.719 1.00 0.00 ATOM 89 O LYS 58 13.393 -18.023 3.814 1.00 0.00 ATOM 90 C LYS 58 12.696 -17.031 3.679 1.00 0.00 ATOM 91 N VAL 59 11.364 -17.098 3.587 1.00 0.00 ATOM 92 CA VAL 59 10.679 -18.380 3.568 1.00 0.00 ATOM 93 CB VAL 59 11.414 -19.398 2.676 1.00 0.00 ATOM 94 CG1 VAL 59 10.757 -20.766 2.778 1.00 0.00 ATOM 95 CG2 VAL 59 11.438 -18.922 1.232 1.00 0.00 ATOM 96 O VAL 59 9.421 -19.048 5.470 1.00 0.00 ATOM 97 C VAL 59 10.529 -18.938 4.960 1.00 0.00 ATOM 98 N THR 60 11.624 -19.302 5.601 1.00 0.00 ATOM 99 CA THR 60 11.531 -19.613 7.031 1.00 0.00 ATOM 100 CB THR 60 11.397 -21.128 7.272 1.00 0.00 ATOM 101 CG2 THR 60 10.527 -21.764 6.199 1.00 0.00 ATOM 102 OG1 THR 60 12.694 -21.737 7.229 1.00 0.00 ATOM 103 O THR 60 13.848 -18.974 7.302 1.00 0.00 ATOM 104 C THR 60 12.723 -19.105 7.838 1.00 0.00 ATOM 105 N TYR 61 12.466 -18.844 9.123 1.00 0.00 ATOM 106 CA TYR 61 13.499 -18.507 10.125 1.00 0.00 ATOM 107 CB TYR 61 13.053 -17.315 10.974 1.00 0.00 ATOM 108 CG TYR 61 12.967 -16.014 10.204 1.00 0.00 ATOM 109 CD1 TYR 61 11.784 -15.631 9.586 1.00 0.00 ATOM 110 CD2 TYR 61 14.069 -15.176 10.098 1.00 0.00 ATOM 111 CE1 TYR 61 11.694 -14.446 8.882 1.00 0.00 ATOM 112 CE2 TYR 61 13.999 -13.986 9.399 1.00 0.00 ATOM 113 CZ TYR 61 12.798 -13.626 8.789 1.00 0.00 ATOM 114 OH TYR 61 12.712 -12.445 8.087 1.00 0.00 ATOM 115 O TYR 61 12.839 -20.391 11.472 1.00 0.00 ATOM 116 C TYR 61 13.770 -19.739 11.002 1.00 0.00 ATOM 117 N GLN 62 15.057 -20.049 11.180 1.00 0.00 ATOM 118 CA GLN 62 15.531 -21.122 12.056 1.00 0.00 ATOM 119 CB GLN 62 16.730 -21.834 11.427 1.00 0.00 ATOM 120 CG GLN 62 16.411 -22.567 10.135 1.00 0.00 ATOM 121 CD GLN 62 17.622 -23.257 9.542 1.00 0.00 ATOM 122 OE1 GLN 62 18.742 -22.756 9.633 1.00 0.00 ATOM 123 NE2 GLN 62 17.401 -24.415 8.929 1.00 0.00 ATOM 124 O GLN 62 16.511 -19.490 13.551 1.00 0.00 ATOM 125 C GLN 62 15.902 -20.561 13.440 1.00 0.00 ATOM 126 N LEU 63 15.522 -21.279 14.498 1.00 0.00 ATOM 127 CA LEU 63 15.828 -20.870 15.856 1.00 0.00 ATOM 128 CB LEU 63 14.558 -20.414 16.578 1.00 0.00 ATOM 129 CG LEU 63 13.958 -19.084 16.120 1.00 0.00 ATOM 130 CD1 LEU 63 12.901 -19.310 15.048 1.00 0.00 ATOM 131 CD2 LEU 63 13.363 -18.328 17.298 1.00 0.00 ATOM 132 O LEU 63 16.119 -23.199 16.219 1.00 0.00 ATOM 133 C LEU 63 16.483 -22.071 16.518 1.00 0.00 ATOM 134 N PRO 64 17.485 -21.845 17.362 1.00 0.00 ATOM 135 CA PRO 64 18.141 -22.947 18.081 1.00 0.00 ATOM 136 CB PRO 64 19.632 -22.734 17.806 1.00 0.00 ATOM 137 CG PRO 64 19.766 -21.262 17.603 1.00 0.00 ATOM 138 CD PRO 64 18.497 -20.813 16.935 1.00 0.00 ATOM 139 O PRO 64 18.036 -21.948 20.257 1.00 0.00 ATOM 140 C PRO 64 17.872 -22.946 19.597 1.00 0.00 ATOM 141 N ILE 65 17.440 -24.086 20.100 1.00 0.00 ATOM 142 CA ILE 65 17.235 -24.303 21.524 1.00 0.00 ATOM 143 CB ILE 65 15.900 -25.019 21.799 1.00 0.00 ATOM 144 CG1 ILE 65 14.779 -24.399 20.962 1.00 0.00 ATOM 145 CG2 ILE 65 15.577 -24.991 23.285 1.00 0.00 ATOM 146 CD1 ILE 65 13.407 -24.955 21.270 1.00 0.00 ATOM 147 O ILE 65 18.743 -26.178 21.580 1.00 0.00 ATOM 148 C ILE 65 18.411 -25.107 22.084 1.00 0.00 ATOM 149 N ILE 66 19.047 -24.573 23.108 1.00 0.00 ATOM 150 CA ILE 66 20.149 -25.244 23.790 1.00 0.00 ATOM 151 CB ILE 66 21.275 -24.257 24.149 1.00 0.00 ATOM 152 CG1 ILE 66 21.730 -23.492 22.903 1.00 0.00 ATOM 153 CG2 ILE 66 22.429 -24.987 24.819 1.00 0.00 ATOM 154 CD1 ILE 66 22.289 -24.379 21.813 1.00 0.00 ATOM 155 O ILE 66 18.776 -25.515 25.767 1.00 0.00 ATOM 156 C ILE 66 19.675 -25.966 25.059 1.00 0.00 ATOM 157 N VAL 67 20.275 -27.118 25.312 1.00 0.00 ATOM 158 CA VAL 67 20.251 -27.728 26.630 1.00 0.00 ATOM 159 CB VAL 67 19.724 -29.173 26.574 1.00 0.00 ATOM 160 CG1 VAL 67 20.587 -30.020 25.650 1.00 0.00 ATOM 161 CG2 VAL 67 19.677 -29.779 27.969 1.00 0.00 ATOM 162 O VAL 67 22.629 -28.096 26.560 1.00 0.00 ATOM 163 C VAL 67 21.675 -27.666 27.198 1.00 0.00 ATOM 164 N SER 68 21.794 -27.142 28.408 1.00 0.00 ATOM 165 CA SER 68 23.078 -27.036 29.084 1.00 0.00 ATOM 166 CB SER 68 23.673 -25.640 28.887 1.00 0.00 ATOM 167 OG SER 68 23.918 -25.380 27.516 1.00 0.00 ATOM 168 O SER 68 21.881 -26.939 31.213 1.00 0.00 ATOM 169 C SER 68 22.887 -27.355 30.588 1.00 0.00 ATOM 170 N GLY 69 23.826 -28.116 31.154 1.00 0.00 ATOM 171 CA GLY 69 23.793 -28.426 32.580 1.00 0.00 ATOM 172 O GLY 69 22.458 -30.307 32.023 1.00 0.00 ATOM 173 C GLY 69 23.107 -29.719 32.886 1.00 0.00 ATOM 174 N SER 70 23.265 -30.192 34.121 1.00 0.00 ATOM 175 CA SER 70 22.706 -31.470 34.522 1.00 0.00 ATOM 176 CB SER 70 21.185 -31.462 34.363 1.00 0.00 ATOM 177 OG SER 70 20.600 -32.592 34.989 1.00 0.00 ATOM 178 O SER 70 24.353 -32.612 33.162 1.00 0.00 ATOM 179 C SER 70 23.261 -32.671 33.757 1.00 0.00 ATOM 180 N THR 71 22.484 -33.756 33.799 1.00 0.00 ATOM 181 CA THR 71 22.802 -35.038 33.200 1.00 0.00 ATOM 182 CB THR 71 22.258 -36.206 34.044 1.00 0.00 ATOM 183 CG2 THR 71 22.601 -37.538 33.394 1.00 0.00 ATOM 184 OG1 THR 71 22.846 -36.169 35.351 1.00 0.00 ATOM 185 O THR 71 21.038 -35.345 31.576 1.00 0.00 ATOM 186 C THR 71 22.233 -35.097 31.796 1.00 0.00 ATOM 190 N ASN 73 23.120 -34.890 30.839 1.00 0.00 ATOM 191 CA ASN 73 22.777 -34.936 29.418 1.00 0.00 ATOM 192 CB ASN 73 23.949 -34.437 28.568 1.00 0.00 ATOM 193 CG ASN 73 25.160 -35.346 28.655 1.00 0.00 ATOM 194 ND2 ASN 73 26.264 -34.917 28.057 1.00 0.00 ATOM 195 OD1 ASN 73 25.100 -36.420 29.254 1.00 0.00 ATOM 196 O ASN 73 21.984 -36.419 27.761 1.00 0.00 ATOM 197 C ASN 73 22.353 -36.316 28.908 1.00 0.00 ATOM 198 N SER 74 22.400 -37.360 29.732 1.00 0.00 ATOM 199 CA SER 74 21.953 -38.687 29.306 1.00 0.00 ATOM 200 CB SER 74 22.673 -39.775 30.104 1.00 0.00 ATOM 201 OG SER 74 22.282 -39.755 31.465 1.00 0.00 ATOM 202 O SER 74 19.848 -39.803 29.004 1.00 0.00 ATOM 203 C SER 74 20.433 -38.831 29.465 1.00 0.00 ATOM 204 N GLN 75 19.827 -37.881 30.163 1.00 0.00 ATOM 205 CA GLN 75 18.370 -37.748 30.280 1.00 0.00 ATOM 206 CB GLN 75 18.008 -36.808 31.432 1.00 0.00 ATOM 207 CG GLN 75 18.456 -37.300 32.798 1.00 0.00 ATOM 208 CD GLN 75 17.767 -38.586 33.209 1.00 0.00 ATOM 209 OE1 GLN 75 16.539 -38.677 33.189 1.00 0.00 ATOM 210 NE2 GLN 75 18.556 -39.586 33.582 1.00 0.00 ATOM 211 O GLN 75 18.359 -36.572 28.181 1.00 0.00 ATOM 212 C GLN 75 17.718 -37.242 28.999 1.00 0.00 ATOM 213 N ASP 76 16.436 -37.562 28.855 1.00 0.00 ATOM 214 CA ASP 76 15.597 -37.039 27.784 1.00 0.00 ATOM 215 CB ASP 76 14.685 -38.137 27.232 1.00 0.00 ATOM 216 CG ASP 76 15.453 -39.209 26.483 1.00 0.00 ATOM 217 OD1 ASP 76 16.625 -38.965 26.133 1.00 0.00 ATOM 218 OD2 ASP 76 14.878 -40.293 26.247 1.00 0.00 ATOM 219 O ASP 76 14.220 -35.986 29.432 1.00 0.00 ATOM 220 C ASP 76 14.797 -35.865 28.348 1.00 0.00 ATOM 221 N ARG 77 14.810 -34.748 27.619 1.00 0.00 ATOM 222 CA ARG 77 14.169 -33.513 28.017 1.00 0.00 ATOM 223 CB ARG 77 15.209 -32.413 28.230 1.00 0.00 ATOM 224 CG ARG 77 16.236 -32.729 29.307 1.00 0.00 ATOM 225 CD ARG 77 15.624 -32.640 30.696 1.00 0.00 ATOM 226 NE ARG 77 16.586 -32.982 31.740 1.00 0.00 ATOM 227 CZ ARG 77 16.305 -32.993 33.040 1.00 0.00 ATOM 228 NH1 ARG 77 17.245 -33.318 33.917 1.00 0.00 ATOM 229 NH2 ARG 77 15.086 -32.680 33.457 1.00 0.00 ATOM 230 O ARG 77 13.429 -33.164 25.756 1.00 0.00 ATOM 231 C ARG 77 13.150 -33.107 26.952 1.00 0.00 ATOM 232 N ASP 78 11.961 -32.717 27.416 1.00 0.00 ATOM 233 CA ASP 78 10.915 -32.226 26.549 1.00 0.00 ATOM 234 CB ASP 78 9.621 -33.014 26.773 1.00 0.00 ATOM 235 CG ASP 78 9.730 -34.454 26.314 1.00 0.00 ATOM 236 OD1 ASP 78 10.625 -34.751 25.495 1.00 0.00 ATOM 237 OD2 ASP 78 8.918 -35.285 26.772 1.00 0.00 ATOM 238 O ASP 78 10.645 -30.354 27.908 1.00 0.00 ATOM 239 C ASP 78 10.689 -30.764 26.785 1.00 0.00 ATOM 240 N ILE 79 10.578 -29.984 25.706 1.00 0.00 ATOM 241 CA ILE 79 10.202 -28.590 25.806 1.00 0.00 ATOM 242 CB ILE 79 11.435 -27.668 25.760 1.00 0.00 ATOM 243 CG1 ILE 79 12.419 -28.040 26.871 1.00 0.00 ATOM 244 CG2 ILE 79 11.013 -26.210 25.842 1.00 0.00 ATOM 245 CD1 ILE 79 13.491 -29.016 26.437 1.00 0.00 ATOM 246 O ILE 79 9.465 -28.495 23.523 1.00 0.00 ATOM 247 C ILE 79 9.231 -28.228 24.695 1.00 0.00 ATOM 248 N HIS 80 8.118 -27.636 25.103 1.00 0.00 ATOM 249 CA HIS 80 7.161 -27.048 24.189 1.00 0.00 ATOM 250 CB HIS 80 5.789 -26.927 24.857 1.00 0.00 ATOM 251 CG HIS 80 4.698 -26.508 23.921 1.00 0.00 ATOM 252 CD2 HIS 80 3.896 -25.307 23.732 1.00 0.00 ATOM 253 ND1 HIS 80 4.205 -27.334 22.933 1.00 0.00 ATOM 254 CE1 HIS 80 3.239 -26.683 22.261 1.00 0.00 ATOM 255 NE2 HIS 80 3.048 -25.467 22.735 1.00 0.00 ATOM 256 O HIS 80 8.340 -24.944 24.359 1.00 0.00 ATOM 257 C HIS 80 7.602 -25.671 23.685 1.00 0.00 ATOM 258 N ILE 81 7.130 -25.341 22.487 1.00 0.00 ATOM 259 CA ILE 81 7.369 -24.052 21.871 1.00 0.00 ATOM 260 CB ILE 81 8.530 -24.117 20.860 1.00 0.00 ATOM 261 CG1 ILE 81 8.178 -25.059 19.706 1.00 0.00 ATOM 262 CG2 ILE 81 9.819 -24.527 21.554 1.00 0.00 ATOM 263 CD1 ILE 81 7.499 -24.371 18.543 1.00 0.00 ATOM 264 O ILE 81 5.195 -24.297 20.827 1.00 0.00 ATOM 265 C ILE 81 6.097 -23.534 21.181 1.00 0.00 ATOM 266 N ALA 82 5.994 -22.223 21.040 1.00 0.00 ATOM 267 CA ALA 82 4.773 -21.644 20.482 1.00 0.00 ATOM 268 CB ALA 82 3.630 -21.754 21.479 1.00 0.00 ATOM 269 O ALA 82 5.643 -19.469 20.832 1.00 0.00 ATOM 270 C ALA 82 5.016 -20.192 20.099 1.00 0.00 ATOM 271 N VAL 83 4.507 -19.773 18.948 1.00 0.00 ATOM 272 CA VAL 83 4.607 -18.387 18.516 1.00 0.00 ATOM 273 CB VAL 83 4.419 -18.257 16.993 1.00 0.00 ATOM 274 CG1 VAL 83 5.511 -19.013 16.255 1.00 0.00 ATOM 275 CG2 VAL 83 3.043 -18.760 16.581 1.00 0.00 ATOM 276 O VAL 83 2.588 -18.001 19.724 1.00 0.00 ATOM 277 C VAL 83 3.589 -17.512 19.239 1.00 0.00 ATOM 281 N TYR 99 4.208 -7.152 16.757 1.00 0.00 ATOM 282 CA TYR 99 3.556 -6.252 15.804 1.00 0.00 ATOM 283 CB TYR 99 4.451 -5.047 15.507 1.00 0.00 ATOM 284 CG TYR 99 4.557 -4.066 16.652 1.00 0.00 ATOM 285 CD1 TYR 99 5.771 -3.850 17.292 1.00 0.00 ATOM 286 CD2 TYR 99 3.445 -3.359 17.089 1.00 0.00 ATOM 287 CE1 TYR 99 5.879 -2.954 18.339 1.00 0.00 ATOM 288 CE2 TYR 99 3.534 -2.461 18.136 1.00 0.00 ATOM 289 CZ TYR 99 4.764 -2.263 18.760 1.00 0.00 ATOM 290 OH TYR 99 4.868 -1.370 19.803 1.00 0.00 ATOM 291 O TYR 99 2.376 -6.589 13.733 1.00 0.00 ATOM 292 C TYR 99 3.221 -7.015 14.513 1.00 0.00 ATOM 296 N TYR 105 3.901 -8.146 14.315 1.00 0.00 ATOM 297 CA TYR 105 3.608 -9.105 13.260 1.00 0.00 ATOM 298 CB TYR 105 4.889 -9.816 12.815 1.00 0.00 ATOM 299 CG TYR 105 5.868 -8.920 12.092 1.00 0.00 ATOM 300 CD1 TYR 105 5.568 -7.584 11.855 1.00 0.00 ATOM 301 CD2 TYR 105 7.090 -9.411 11.650 1.00 0.00 ATOM 302 CE1 TYR 105 6.457 -6.757 11.195 1.00 0.00 ATOM 303 CE2 TYR 105 7.991 -8.598 10.990 1.00 0.00 ATOM 304 CZ TYR 105 7.665 -7.262 10.765 1.00 0.00 ATOM 305 OH TYR 105 8.552 -6.440 10.109 1.00 0.00 ATOM 306 O TYR 105 2.599 -10.630 14.889 1.00 0.00 ATOM 307 C TYR 105 2.560 -10.133 13.739 1.00 0.00 ATOM 308 N THR 106 1.639 -10.459 12.831 1.00 0.00 ATOM 309 CA THR 106 0.444 -11.230 13.131 1.00 0.00 ATOM 310 CB THR 106 -0.835 -10.454 12.764 1.00 0.00 ATOM 311 CG2 THR 106 -2.071 -11.280 13.085 1.00 0.00 ATOM 312 OG1 THR 106 -0.890 -9.235 13.514 1.00 0.00 ATOM 313 O THR 106 0.745 -12.645 11.223 1.00 0.00 ATOM 314 C THR 106 0.434 -12.582 12.400 1.00 0.00 ATOM 315 N GLU 107 0.079 -13.651 13.112 1.00 0.00 ATOM 316 CA GLU 107 -0.063 -14.983 12.540 1.00 0.00 ATOM 317 CB GLU 107 -0.395 -16.002 13.631 1.00 0.00 ATOM 318 CG GLU 107 -1.763 -15.809 14.265 1.00 0.00 ATOM 319 CD GLU 107 -2.058 -16.837 15.339 1.00 0.00 ATOM 320 OE1 GLU 107 -1.204 -17.720 15.567 1.00 0.00 ATOM 321 OE2 GLU 107 -3.143 -16.760 15.952 1.00 0.00 ATOM 322 O GLU 107 -2.152 -14.269 11.615 1.00 0.00 ATOM 323 C GLU 107 -1.137 -14.956 11.473 1.00 0.00 ATOM 327 N GLU 110 -0.902 -15.708 10.396 1.00 0.00 ATOM 328 CA GLU 110 -1.833 -15.784 9.303 1.00 0.00 ATOM 329 CB GLU 110 -3.271 -15.807 9.826 1.00 0.00 ATOM 330 CG GLU 110 -3.576 -16.971 10.753 1.00 0.00 ATOM 331 CD GLU 110 -5.024 -16.992 11.204 1.00 0.00 ATOM 332 OE1 GLU 110 -5.830 -16.212 10.654 1.00 0.00 ATOM 333 OE2 GLU 110 -5.354 -17.790 12.108 1.00 0.00 ATOM 334 O GLU 110 -2.336 -14.534 7.377 1.00 0.00 ATOM 335 C GLU 110 -1.643 -14.640 8.360 1.00 0.00 ATOM 336 N ASP 111 -0.668 -13.796 8.623 1.00 0.00 ATOM 337 CA ASP 111 -0.529 -12.560 7.876 1.00 0.00 ATOM 338 CB ASP 111 -1.189 -11.403 8.628 1.00 0.00 ATOM 339 CG ASP 111 -1.208 -10.119 7.821 1.00 0.00 ATOM 340 OD1 ASP 111 -1.890 -10.086 6.774 1.00 0.00 ATOM 341 OD2 ASP 111 -0.543 -9.147 8.237 1.00 0.00 ATOM 342 O ASP 111 1.302 -11.975 6.439 1.00 0.00 ATOM 343 C ASP 111 0.942 -12.211 7.589 1.00 0.00 ATOM 344 N LYS 112 1.776 -12.187 8.628 1.00 0.00 ATOM 345 CA LYS 112 3.216 -11.941 8.503 1.00 0.00 ATOM 346 CB LYS 112 3.663 -10.857 9.487 1.00 0.00 ATOM 347 CG LYS 112 2.995 -9.510 9.271 1.00 0.00 ATOM 348 CD LYS 112 3.330 -8.940 7.903 1.00 0.00 ATOM 349 CE LYS 112 2.757 -7.543 7.730 1.00 0.00 ATOM 350 NZ LYS 112 3.112 -6.957 6.408 1.00 0.00 ATOM 351 O LYS 112 5.163 -13.378 8.273 1.00 0.00 ATOM 352 C LYS 112 4.048 -13.234 8.736 1.00 0.00 ATOM 353 N TYR 113 3.495 -14.164 9.497 1.00 0.00 ATOM 354 CA TYR 113 4.186 -15.384 9.831 1.00 0.00 ATOM 355 CB TYR 113 5.079 -15.176 11.055 1.00 0.00 ATOM 356 CG TYR 113 4.322 -15.097 12.360 1.00 0.00 ATOM 357 CD1 TYR 113 3.920 -13.872 12.876 1.00 0.00 ATOM 358 CD2 TYR 113 4.011 -16.248 13.072 1.00 0.00 ATOM 359 CE1 TYR 113 3.228 -13.790 14.070 1.00 0.00 ATOM 360 CE2 TYR 113 3.318 -16.186 14.268 1.00 0.00 ATOM 361 CZ TYR 113 2.928 -14.943 14.763 1.00 0.00 ATOM 362 OH TYR 113 2.238 -14.863 15.951 1.00 0.00 ATOM 363 O TYR 113 1.936 -16.114 10.218 1.00 0.00 ATOM 364 C TYR 113 3.117 -16.439 10.065 1.00 0.00 ATOM 365 N GLU 114 3.545 -17.701 9.990 1.00 0.00 ATOM 366 CA GLU 114 2.686 -18.852 10.214 1.00 0.00 ATOM 367 CB GLU 114 3.135 -20.032 9.348 1.00 0.00 ATOM 368 CG GLU 114 3.049 -19.772 7.853 1.00 0.00 ATOM 369 CD GLU 114 3.495 -20.964 7.029 1.00 0.00 ATOM 370 OE1 GLU 114 3.682 -22.052 7.612 1.00 0.00 ATOM 371 OE2 GLU 114 3.655 -20.810 5.800 1.00 0.00 ATOM 372 O GLU 114 3.743 -19.549 12.221 1.00 0.00 ATOM 373 C GLU 114 2.692 -19.233 11.675 1.00 0.00 ATOM 374 N PHE 115 1.515 -19.292 12.284 1.00 0.00 ATOM 375 CA PHE 115 1.376 -19.863 13.623 1.00 0.00 ATOM 376 CB PHE 115 -0.101 -20.033 13.982 1.00 0.00 ATOM 377 CG PHE 115 -0.330 -20.762 15.275 1.00 0.00 ATOM 378 CD1 PHE 115 -0.644 -22.109 15.282 1.00 0.00 ATOM 379 CD2 PHE 115 -0.231 -20.099 16.486 1.00 0.00 ATOM 380 CE1 PHE 115 -0.855 -22.779 16.472 1.00 0.00 ATOM 381 CE2 PHE 115 -0.442 -20.769 17.676 1.00 0.00 ATOM 382 CZ PHE 115 -0.753 -22.103 17.673 1.00 0.00 ATOM 383 O PHE 115 1.894 -22.080 12.901 1.00 0.00 ATOM 384 C PHE 115 2.108 -21.209 13.715 1.00 0.00 ATOM 385 N PRO 116 2.951 -21.381 14.725 1.00 0.00 ATOM 386 CA PRO 116 3.699 -22.620 14.873 1.00 0.00 ATOM 387 CB PRO 116 5.083 -22.287 14.312 1.00 0.00 ATOM 388 CG PRO 116 4.840 -21.155 13.369 1.00 0.00 ATOM 389 CD PRO 116 3.755 -20.321 13.990 1.00 0.00 ATOM 390 O PRO 116 4.014 -22.214 17.196 1.00 0.00 ATOM 391 C PRO 116 3.765 -23.027 16.339 1.00 0.00 ATOM 392 N GLU 117 4.792 -26.800 18.941 1.00 0.00 ATOM 393 CA GLU 117 5.221 -28.183 18.997 1.00 0.00 ATOM 394 CB GLU 117 6.114 -28.516 17.800 1.00 0.00 ATOM 395 CG GLU 117 5.408 -28.431 16.457 1.00 0.00 ATOM 396 CD GLU 117 4.354 -29.506 16.284 1.00 0.00 ATOM 397 OE1 GLU 117 4.447 -30.547 16.967 1.00 0.00 ATOM 398 OE2 GLU 117 3.432 -29.307 15.463 1.00 0.00 ATOM 399 O GLU 117 6.048 -27.678 21.174 1.00 0.00 ATOM 400 C GLU 117 5.957 -28.512 20.274 1.00 0.00 ATOM 401 N THR 118 6.431 -29.754 20.347 1.00 0.00 ATOM 402 CA THR 118 7.324 -30.236 21.403 1.00 0.00 ATOM 403 CB THR 118 6.686 -31.394 22.195 1.00 0.00 ATOM 404 CG2 THR 118 7.609 -31.842 23.318 1.00 0.00 ATOM 405 OG1 THR 118 5.446 -30.960 22.766 1.00 0.00 ATOM 406 O THR 118 8.633 -31.319 19.696 1.00 0.00 ATOM 407 C THR 118 8.628 -30.670 20.755 1.00 0.00 ATOM 408 N VAL 119 9.723 -30.270 21.378 1.00 0.00 ATOM 409 CA VAL 119 11.050 -30.693 20.982 1.00 0.00 ATOM 410 CB VAL 119 12.004 -29.493 20.831 1.00 0.00 ATOM 411 CG1 VAL 119 13.444 -29.968 20.723 1.00 0.00 ATOM 412 CG2 VAL 119 11.621 -28.658 19.619 1.00 0.00 ATOM 413 O VAL 119 11.260 -31.555 23.231 1.00 0.00 ATOM 414 C VAL 119 11.555 -31.692 22.040 1.00 0.00 ATOM 415 N HIS 120 12.271 -32.720 21.581 1.00 0.00 ATOM 416 CA HIS 120 12.866 -33.721 22.457 1.00 0.00 ATOM 417 CB HIS 120 12.351 -35.116 22.102 1.00 0.00 ATOM 418 CG HIS 120 10.871 -35.273 22.262 1.00 0.00 ATOM 419 CD2 HIS 120 9.716 -35.197 21.378 1.00 0.00 ATOM 420 ND1 HIS 120 10.279 -35.563 23.473 1.00 0.00 ATOM 421 CE1 HIS 120 8.947 -35.642 23.301 1.00 0.00 ATOM 422 NE2 HIS 120 8.602 -35.424 22.047 1.00 0.00 ATOM 423 O HIS 120 14.969 -33.820 21.281 1.00 0.00 ATOM 424 C HIS 120 14.401 -33.670 22.359 1.00 0.00 ATOM 425 N ILE 121 15.068 -33.438 23.488 1.00 0.00 ATOM 426 CA ILE 121 16.520 -33.634 23.573 1.00 0.00 ATOM 427 CB ILE 121 17.182 -32.567 24.464 1.00 0.00 ATOM 428 CG1 ILE 121 16.918 -31.166 23.904 1.00 0.00 ATOM 429 CG2 ILE 121 18.669 -32.845 24.614 1.00 0.00 ATOM 430 CD1 ILE 121 17.347 -30.048 24.829 1.00 0.00 ATOM 431 O ILE 121 16.699 -35.268 25.306 1.00 0.00 ATOM 432 C ILE 121 16.743 -35.030 24.097 1.00 0.00 ATOM 433 N PRO 122 16.978 -35.950 23.167 1.00 0.00 ATOM 434 CA PRO 122 17.398 -37.295 23.484 1.00 0.00 ATOM 435 CB PRO 122 17.372 -38.020 22.136 1.00 0.00 ATOM 436 CG PRO 122 17.626 -36.946 21.132 1.00 0.00 ATOM 437 CD PRO 122 16.954 -35.711 21.661 1.00 0.00 ATOM 438 O PRO 122 19.503 -36.231 24.002 1.00 0.00 ATOM 439 C PRO 122 18.808 -37.253 24.098 1.00 0.00 ATOM 440 N ALA 123 19.230 -38.368 24.721 1.00 0.00 ATOM 441 CA ALA 123 20.500 -38.393 25.429 1.00 0.00 ATOM 442 CB ALA 123 20.805 -39.799 25.922 1.00 0.00 ATOM 443 O ALA 123 21.910 -38.294 23.463 1.00 0.00 ATOM 444 C ALA 123 21.709 -37.904 24.617 1.00 0.00 ATOM 445 N GLY 124 22.483 -37.010 25.215 1.00 0.00 ATOM 446 CA GLY 124 23.615 -36.402 24.546 1.00 0.00 ATOM 447 O GLY 124 24.169 -34.331 23.526 1.00 0.00 ATOM 448 C GLY 124 23.292 -35.141 23.743 1.00 0.00 ATOM 449 N SER 125 22.051 -34.963 23.293 1.00 0.00 ATOM 450 CA SER 125 21.735 -33.842 22.414 1.00 0.00 ATOM 451 CB SER 125 20.402 -34.079 21.701 1.00 0.00 ATOM 452 OG SER 125 20.039 -32.962 20.912 1.00 0.00 ATOM 453 O SER 125 21.005 -32.422 24.207 1.00 0.00 ATOM 454 C SER 125 21.682 -32.517 23.176 1.00 0.00 ATOM 455 N CYS 126 22.388 -31.508 22.650 1.00 0.00 ATOM 456 CA CYS 126 22.437 -30.184 23.271 1.00 0.00 ATOM 457 CB CYS 126 23.883 -29.791 23.583 1.00 0.00 ATOM 458 SG CYS 126 24.722 -30.894 24.745 1.00 0.00 ATOM 459 O CYS 126 21.534 -27.976 22.935 1.00 0.00 ATOM 460 C CYS 126 21.803 -29.060 22.426 1.00 0.00 ATOM 461 N VAL 127 21.538 -29.316 21.151 1.00 0.00 ATOM 462 CA VAL 127 21.079 -28.276 20.236 1.00 0.00 ATOM 463 CB VAL 127 22.226 -27.763 19.343 1.00 0.00 ATOM 464 CG1 VAL 127 21.718 -26.697 18.384 1.00 0.00 ATOM 465 CG2 VAL 127 23.361 -27.220 20.196 1.00 0.00 ATOM 466 O VAL 127 20.102 -29.822 18.722 1.00 0.00 ATOM 467 C VAL 127 19.951 -28.794 19.388 1.00 0.00 ATOM 468 N GLU 128 18.843 -28.063 19.376 1.00 0.00 ATOM 469 CA GLU 128 17.706 -28.411 18.510 1.00 0.00 ATOM 470 CB GLU 128 16.532 -28.925 19.346 1.00 0.00 ATOM 471 CG GLU 128 16.830 -30.204 20.112 1.00 0.00 ATOM 472 CD GLU 128 16.955 -31.411 19.203 1.00 0.00 ATOM 473 OE1 GLU 128 16.434 -31.358 18.070 1.00 0.00 ATOM 474 OE2 GLU 128 17.573 -32.411 19.626 1.00 0.00 ATOM 475 O GLU 128 17.168 -26.095 18.142 1.00 0.00 ATOM 476 C GLU 128 17.257 -27.212 17.662 1.00 0.00 ATOM 477 N LEU 129 16.979 -27.443 16.391 1.00 0.00 ATOM 478 CA LEU 129 16.564 -26.344 15.520 1.00 0.00 ATOM 479 CB LEU 129 17.310 -26.408 14.186 1.00 0.00 ATOM 480 CG LEU 129 18.836 -26.310 14.258 1.00 0.00 ATOM 481 CD1 LEU 129 19.449 -26.470 12.875 1.00 0.00 ATOM 482 CD2 LEU 129 19.262 -24.988 14.877 1.00 0.00 ATOM 483 O LEU 129 14.511 -27.489 15.132 1.00 0.00 ATOM 484 C LEU 129 15.048 -26.417 15.310 1.00 0.00 ATOM 485 N LEU 130 14.366 -25.272 15.420 1.00 0.00 ATOM 486 CA LEU 130 12.952 -25.163 15.067 1.00 0.00 ATOM 487 CB LEU 130 12.111 -24.861 16.309 1.00 0.00 ATOM 488 CG LEU 130 12.180 -25.889 17.439 1.00 0.00 ATOM 489 CD1 LEU 130 11.406 -25.404 18.656 1.00 0.00 ATOM 490 CD2 LEU 130 11.647 -27.236 16.976 1.00 0.00 ATOM 491 O LEU 130 13.498 -23.068 13.992 1.00 0.00 ATOM 492 C LEU 130 12.772 -24.069 14.002 1.00 0.00 ATOM 493 N ASN 131 11.805 -24.259 13.110 1.00 0.00 ATOM 494 CA ASN 131 11.586 -23.347 11.998 1.00 0.00 ATOM 495 CB ASN 131 11.766 -24.075 10.664 1.00 0.00 ATOM 496 CG ASN 131 13.189 -24.546 10.446 1.00 0.00 ATOM 497 ND2 ASN 131 13.858 -23.966 9.456 1.00 0.00 ATOM 498 OD1 ASN 131 13.679 -25.422 11.159 1.00 0.00 ATOM 499 O ASN 131 9.243 -23.310 12.498 1.00 0.00 ATOM 500 C ASN 131 10.206 -22.693 12.057 1.00 0.00 ATOM 501 N ILE 132 10.135 -21.420 11.666 1.00 0.00 ATOM 502 CA ILE 132 8.878 -20.675 11.620 1.00 0.00 ATOM 503 CB ILE 132 8.822 -19.598 12.719 1.00 0.00 ATOM 504 CG1 ILE 132 8.946 -20.240 14.103 1.00 0.00 ATOM 505 CG2 ILE 132 7.550 -18.773 12.590 1.00 0.00 ATOM 506 CD1 ILE 132 9.108 -19.240 15.226 1.00 0.00 ATOM 507 O ILE 132 9.635 -19.438 9.741 1.00 0.00 ATOM 508 C ILE 132 8.723 -20.059 10.246 1.00 0.00 ATOM 509 N ASP 133 7.537 -20.237 9.666 1.00 0.00 ATOM 510 CA ASP 133 7.235 -19.796 8.315 1.00 0.00 ATOM 511 CB ASP 133 6.008 -20.532 7.772 1.00 0.00 ATOM 512 CG ASP 133 6.279 -21.999 7.503 1.00 0.00 ATOM 513 OD1 ASP 133 7.370 -22.314 6.979 1.00 0.00 ATOM 514 OD2 ASP 133 5.404 -22.834 7.816 1.00 0.00 ATOM 515 O ASP 133 6.291 -17.788 9.120 1.00 0.00 ATOM 516 C ASP 133 7.015 -18.317 8.297 1.00 0.00 ATOM 517 N PHE 134 7.667 -17.649 7.347 1.00 0.00 ATOM 518 CA PHE 134 7.575 -16.211 7.177 1.00 0.00 ATOM 519 CB PHE 134 8.971 -15.584 7.153 1.00 0.00 ATOM 520 CG PHE 134 8.959 -14.082 7.120 1.00 0.00 ATOM 521 CD1 PHE 134 8.180 -13.361 8.008 1.00 0.00 ATOM 522 CD2 PHE 134 9.727 -13.389 6.201 1.00 0.00 ATOM 523 CE1 PHE 134 8.169 -11.979 7.978 1.00 0.00 ATOM 524 CE2 PHE 134 9.718 -12.007 6.171 1.00 0.00 ATOM 525 CZ PHE 134 8.943 -11.303 7.054 1.00 0.00 ATOM 526 O PHE 134 7.133 -16.525 4.841 1.00 0.00 ATOM 527 C PHE 134 6.813 -15.952 5.890 1.00 0.00 ATOM 528 N ASN 135 5.686 -13.641 2.782 1.00 0.00 ATOM 529 CA ASN 135 6.143 -12.532 1.969 1.00 0.00 ATOM 530 CB ASN 135 7.081 -13.027 0.866 1.00 0.00 ATOM 531 CG ASN 135 7.763 -11.891 0.130 1.00 0.00 ATOM 532 ND2 ASN 135 8.945 -11.506 0.602 1.00 0.00 ATOM 533 OD1 ASN 135 7.235 -11.367 -0.852 1.00 0.00 ATOM 534 O ASN 135 3.903 -12.346 1.148 1.00 0.00 ATOM 535 C ASN 135 4.955 -11.776 1.377 1.00 0.00 ATOM 536 N LEU 136 5.121 -10.485 1.133 1.00 0.00 ATOM 537 CA LEU 136 4.128 -9.712 0.388 1.00 0.00 ATOM 538 CB LEU 136 3.172 -9.002 1.349 1.00 0.00 ATOM 539 CG LEU 136 2.356 -9.899 2.280 1.00 0.00 ATOM 540 CD1 LEU 136 1.559 -9.063 3.270 1.00 0.00 ATOM 541 CD2 LEU 136 1.429 -10.802 1.481 1.00 0.00 ATOM 542 O LEU 136 6.105 -8.836 -0.601 1.00 0.00 ATOM 543 C LEU 136 4.897 -8.728 -0.496 1.00 0.00 ATOM 544 N GLN 137 4.210 -7.787 -1.130 1.00 0.00 ATOM 545 CA GLN 137 4.859 -6.804 -1.975 1.00 0.00 ATOM 546 CB GLN 137 4.543 -7.072 -3.449 1.00 0.00 ATOM 547 CG GLN 137 5.041 -8.416 -3.955 1.00 0.00 ATOM 548 CD GLN 137 6.553 -8.514 -3.959 1.00 0.00 ATOM 549 OE1 GLN 137 7.249 -7.516 -4.148 1.00 0.00 ATOM 550 NE2 GLN 137 7.068 -9.719 -3.747 1.00 0.00 ATOM 551 O GLN 137 4.543 -4.439 -2.344 1.00 0.00 ATOM 552 C GLN 137 4.410 -5.394 -1.568 1.00 0.00 ATOM 553 N ASP 138 3.902 -5.259 -0.345 1.00 0.00 ATOM 554 CA ASP 138 3.567 -3.951 0.234 1.00 0.00 ATOM 555 CB ASP 138 2.302 -4.052 1.089 1.00 0.00 ATOM 556 CG ASP 138 1.058 -4.303 0.261 1.00 0.00 ATOM 557 OD1 ASP 138 1.117 -4.119 -0.971 1.00 0.00 ATOM 558 OD2 ASP 138 0.022 -4.683 0.846 1.00 0.00 ATOM 559 O ASP 138 5.282 -4.156 1.863 1.00 0.00 ATOM 560 C ASP 138 4.735 -3.437 1.058 1.00 0.00 ATOM 561 N ILE 139 5.109 -2.186 0.891 1.00 0.00 ATOM 562 CA ILE 139 6.100 -1.589 1.751 1.00 0.00 ATOM 563 CB ILE 139 6.791 -0.393 1.070 1.00 0.00 ATOM 564 CG1 ILE 139 7.553 -0.856 -0.174 1.00 0.00 ATOM 565 CG2 ILE 139 7.699 0.329 2.054 1.00 0.00 ATOM 566 CD1 ILE 139 8.055 0.280 -1.039 1.00 0.00 ATOM 567 O ILE 139 4.423 -0.455 3.017 1.00 0.00 ATOM 568 C ILE 139 5.419 -1.173 3.043 1.00 0.00 ATOM 569 N ASP 140 5.956 -1.654 4.162 1.00 0.00 ATOM 570 CA ASP 140 5.591 -1.191 5.480 1.00 0.00 ATOM 571 CB ASP 140 4.372 -1.957 5.998 1.00 0.00 ATOM 572 CG ASP 140 4.636 -3.442 6.145 1.00 0.00 ATOM 573 OD1 ASP 140 5.820 -3.827 6.256 1.00 0.00 ATOM 574 OD2 ASP 140 3.660 -4.222 6.150 1.00 0.00 ATOM 575 O ASP 140 7.819 -1.838 6.070 1.00 0.00 ATOM 576 C ASP 140 6.766 -1.343 6.445 1.00 0.00 ATOM 577 N MET 141 6.599 -0.890 7.680 1.00 0.00 ATOM 578 CA MET 141 7.621 -1.037 8.713 1.00 0.00 ATOM 579 CB MET 141 7.185 -0.340 10.003 1.00 0.00 ATOM 580 CG MET 141 7.133 1.175 9.903 1.00 0.00 ATOM 581 SD MET 141 6.549 1.952 11.422 1.00 0.00 ATOM 582 CE MET 141 7.917 1.613 12.525 1.00 0.00 ATOM 583 O MET 141 7.206 -3.404 8.790 1.00 0.00 ATOM 584 C MET 141 7.967 -2.498 9.036 1.00 0.00 ATOM 585 N LEU 142 9.137 -2.675 9.618 1.00 0.00 ATOM 586 CA LEU 142 9.581 -3.938 10.155 1.00 0.00 ATOM 587 CB LEU 142 11.047 -3.852 10.584 1.00 0.00 ATOM 588 CG LEU 142 12.090 -4.121 9.497 1.00 0.00 ATOM 589 CD1 LEU 142 11.932 -3.137 8.347 1.00 0.00 ATOM 590 CD2 LEU 142 13.496 -4.043 10.068 1.00 0.00 ATOM 591 O LEU 142 8.245 -3.547 12.104 1.00 0.00 ATOM 592 C LEU 142 8.712 -4.363 11.331 1.00 0.00 ATOM 593 N GLU 143 8.536 -5.662 11.477 1.00 0.00 ATOM 594 CA GLU 143 7.610 -6.191 12.449 1.00 0.00 ATOM 595 CB GLU 143 6.306 -6.617 11.772 1.00 0.00 ATOM 596 CG GLU 143 5.544 -5.476 11.119 1.00 0.00 ATOM 597 CD GLU 143 4.927 -4.533 12.132 1.00 0.00 ATOM 598 OE1 GLU 143 5.542 -4.321 13.200 1.00 0.00 ATOM 599 OE2 GLU 143 3.828 -4.006 11.862 1.00 0.00 ATOM 600 O GLU 143 9.092 -7.960 12.600 1.00 0.00 ATOM 601 C GLU 143 8.245 -7.333 13.158 1.00 0.00 ATOM 602 N LYS 144 7.797 -7.616 14.373 1.00 0.00 ATOM 603 CA LYS 144 8.321 -8.720 15.154 1.00 0.00 ATOM 604 CB LYS 144 9.167 -8.200 16.317 1.00 0.00 ATOM 605 CG LYS 144 8.387 -7.389 17.339 1.00 0.00 ATOM 606 CD LYS 144 9.279 -6.932 18.481 1.00 0.00 ATOM 607 CE LYS 144 8.488 -6.164 19.527 1.00 0.00 ATOM 608 NZ LYS 144 9.362 -5.653 20.620 1.00 0.00 ATOM 609 O LYS 144 6.099 -9.335 15.779 1.00 0.00 ATOM 610 C LYS 144 7.276 -9.650 15.716 1.00 0.00 ATOM 611 N TRP 145 7.715 -10.849 16.074 1.00 0.00 ATOM 612 CA TRP 145 6.892 -11.733 16.873 1.00 0.00 ATOM 613 CB TRP 145 6.134 -12.715 15.978 1.00 0.00 ATOM 614 CG TRP 145 7.031 -13.620 15.189 1.00 0.00 ATOM 615 CD1 TRP 145 7.460 -14.865 15.549 1.00 0.00 ATOM 616 CD2 TRP 145 7.609 -13.351 13.906 1.00 0.00 ATOM 617 CE2 TRP 145 8.374 -14.477 13.550 1.00 0.00 ATOM 618 CE3 TRP 145 7.553 -12.269 13.024 1.00 0.00 ATOM 619 NE1 TRP 145 8.268 -15.390 14.570 1.00 0.00 ATOM 620 CZ2 TRP 145 9.080 -14.551 12.350 1.00 0.00 ATOM 621 CZ3 TRP 145 8.253 -12.347 11.835 1.00 0.00 ATOM 622 CH2 TRP 145 9.008 -13.479 11.506 1.00 0.00 ATOM 623 O TRP 145 8.949 -12.181 17.923 1.00 0.00 ATOM 624 C TRP 145 7.759 -12.459 17.859 1.00 0.00 ATOM 625 N VAL 146 7.148 -13.384 18.605 1.00 0.00 ATOM 626 CA VAL 146 7.790 -14.072 19.731 1.00 0.00 ATOM 627 CB VAL 146 7.166 -13.655 21.076 1.00 0.00 ATOM 628 CG1 VAL 146 7.367 -12.168 21.320 1.00 0.00 ATOM 629 CG2 VAL 146 5.686 -14.010 21.109 1.00 0.00 ATOM 630 O VAL 146 6.780 -16.074 18.999 1.00 0.00 ATOM 631 C VAL 146 7.712 -15.568 19.581 1.00 0.00 ATOM 632 N LEU 147 8.719 -16.271 20.080 1.00 0.00 ATOM 633 CA LEU 147 8.602 -17.695 20.264 1.00 0.00 ATOM 634 CB LEU 147 9.526 -18.438 19.297 1.00 0.00 ATOM 635 CG LEU 147 9.555 -19.963 19.421 1.00 0.00 ATOM 636 CD1 LEU 147 8.196 -20.556 19.082 1.00 0.00 ATOM 637 CD2 LEU 147 10.630 -20.555 18.523 1.00 0.00 ATOM 638 O LEU 147 10.050 -17.691 22.182 1.00 0.00 ATOM 639 C LEU 147 8.941 -17.961 21.723 1.00 0.00 ATOM 640 N PRO 148 7.954 -18.477 22.437 1.00 0.00 ATOM 641 CA PRO 148 8.077 -18.851 23.831 1.00 0.00 ATOM 642 CB PRO 148 6.720 -18.485 24.434 1.00 0.00 ATOM 643 CG PRO 148 6.165 -17.455 23.508 1.00 0.00 ATOM 644 CD PRO 148 6.629 -17.840 22.131 1.00 0.00 ATOM 645 O PRO 148 7.783 -21.143 23.314 1.00 0.00 ATOM 646 C PRO 148 8.366 -20.322 24.009 1.00 0.00 ATOM 647 N LEU 149 9.233 -20.646 24.967 1.00 0.00 ATOM 648 CA LEU 149 9.438 -22.022 25.390 1.00 0.00 ATOM 649 CB LEU 149 10.932 -22.314 25.555 1.00 0.00 ATOM 650 CG LEU 149 11.794 -22.164 24.300 1.00 0.00 ATOM 651 CD1 LEU 149 13.272 -22.272 24.647 1.00 0.00 ATOM 652 CD2 LEU 149 11.417 -23.207 23.260 1.00 0.00 ATOM 653 O LEU 149 8.537 -21.336 27.495 1.00 0.00 ATOM 654 C LEU 149 8.685 -22.247 26.686 1.00 0.00 ATOM 655 N THR 150 8.189 -23.461 26.889 1.00 0.00 ATOM 656 CA THR 150 7.438 -23.783 28.109 1.00 0.00 ATOM 657 CB THR 150 6.003 -23.228 28.053 1.00 0.00 ATOM 658 CG2 THR 150 5.171 -24.005 27.044 1.00 0.00 ATOM 659 OG1 THR 150 5.390 -23.348 29.342 1.00 0.00 ATOM 660 O THR 150 7.807 -26.092 27.556 1.00 0.00 ATOM 661 C THR 150 7.369 -25.270 28.372 1.00 0.00 ATOM 665 N SER 156 6.865 -25.605 29.557 1.00 0.00 ATOM 666 CA SER 156 6.534 -26.987 29.888 1.00 0.00 ATOM 667 CB SER 156 5.377 -27.484 29.018 1.00 0.00 ATOM 668 OG SER 156 4.206 -26.717 29.240 1.00 0.00 ATOM 669 O SER 156 7.667 -28.938 29.021 1.00 0.00 ATOM 670 C SER 156 7.742 -27.926 29.724 1.00 0.00 ATOM 671 N TYR 157 8.862 -27.567 30.353 1.00 0.00 ATOM 672 CA TYR 157 10.056 -28.414 30.358 1.00 0.00 ATOM 673 CB TYR 157 11.278 -27.615 30.815 1.00 0.00 ATOM 674 CG TYR 157 11.736 -26.573 29.821 1.00 0.00 ATOM 675 CD1 TYR 157 10.877 -26.105 28.834 1.00 0.00 ATOM 676 CD2 TYR 157 13.026 -26.060 29.872 1.00 0.00 ATOM 677 CE1 TYR 157 11.287 -25.153 27.921 1.00 0.00 ATOM 678 CE2 TYR 157 13.453 -25.107 28.967 1.00 0.00 ATOM 679 CZ TYR 157 12.570 -24.655 27.986 1.00 0.00 ATOM 680 OH TYR 157 12.982 -23.706 27.078 1.00 0.00 ATOM 681 O TYR 157 9.371 -29.533 32.375 1.00 0.00 ATOM 682 C TYR 157 9.861 -29.651 31.266 1.00 0.00 ATOM 683 N ALA 158 10.250 -30.829 30.758 1.00 0.00 ATOM 684 CA ALA 158 10.008 -32.135 31.384 1.00 0.00 ATOM 685 CB ALA 158 8.726 -32.753 30.845 1.00 0.00 ATOM 686 O ALA 158 11.693 -33.161 30.045 1.00 0.00 ATOM 687 C ALA 158 11.181 -33.078 31.153 1.00 0.00 ATOM 691 N PHE 177 16.254 -32.850 37.404 1.00 0.00 ATOM 692 CA PHE 177 15.463 -31.642 37.202 1.00 0.00 ATOM 693 CB PHE 177 15.543 -30.737 38.435 1.00 0.00 ATOM 694 CG PHE 177 14.777 -31.256 39.619 1.00 0.00 ATOM 695 CD1 PHE 177 15.441 -31.786 40.711 1.00 0.00 ATOM 696 CD2 PHE 177 13.395 -31.217 39.638 1.00 0.00 ATOM 697 CE1 PHE 177 14.736 -32.264 41.800 1.00 0.00 ATOM 698 CE2 PHE 177 12.690 -31.695 40.728 1.00 0.00 ATOM 699 CZ PHE 177 13.356 -32.216 41.805 1.00 0.00 ATOM 700 O PHE 177 17.159 -30.799 35.691 1.00 0.00 ATOM 701 C PHE 177 15.924 -30.879 35.966 1.00 0.00 ATOM 702 N ASN 178 15.017 -30.461 35.129 1.00 0.00 ATOM 703 CA ASN 178 15.314 -29.583 34.014 1.00 0.00 ATOM 704 CB ASN 178 15.220 -30.347 32.691 1.00 0.00 ATOM 705 CG ASN 178 13.801 -30.765 32.359 1.00 0.00 ATOM 706 ND2 ASN 178 13.489 -32.034 32.596 1.00 0.00 ATOM 707 OD1 ASN 178 12.997 -29.955 31.896 1.00 0.00 ATOM 708 O ASN 178 13.205 -28.594 34.540 1.00 0.00 ATOM 709 C ASN 178 14.342 -28.430 34.102 1.00 0.00 ATOM 710 N ASN 179 14.791 -27.245 33.718 1.00 0.00 ATOM 711 CA ASN 179 13.875 -26.118 33.625 1.00 0.00 ATOM 712 CB ASN 179 13.666 -25.483 35.002 1.00 0.00 ATOM 713 CG ASN 179 14.952 -24.942 35.595 1.00 0.00 ATOM 714 ND2 ASN 179 15.260 -25.360 36.817 1.00 0.00 ATOM 715 OD1 ASN 179 15.658 -24.159 34.960 1.00 0.00 ATOM 716 O ASN 179 15.422 -25.336 32.027 1.00 0.00 ATOM 717 C ASN 179 14.391 -25.116 32.639 1.00 0.00 ATOM 721 N SER 183 13.588 -24.084 32.431 1.00 0.00 ATOM 722 CA SER 183 13.874 -23.005 31.508 1.00 0.00 ATOM 723 CB SER 183 12.625 -22.150 31.283 1.00 0.00 ATOM 724 OG SER 183 12.907 -21.049 30.437 1.00 0.00 ATOM 725 O SER 183 15.174 -21.973 33.247 1.00 0.00 ATOM 726 C SER 183 15.015 -22.157 32.038 1.00 0.00 ATOM 727 N TYR 184 15.855 -21.683 31.124 1.00 0.00 ATOM 728 CA TYR 184 16.876 -20.704 31.473 1.00 0.00 ATOM 729 CB TYR 184 18.267 -21.226 31.103 1.00 0.00 ATOM 730 CG TYR 184 19.390 -20.282 31.464 1.00 0.00 ATOM 731 CD1 TYR 184 19.523 -19.794 32.758 1.00 0.00 ATOM 732 CD2 TYR 184 20.316 -19.880 30.510 1.00 0.00 ATOM 733 CE1 TYR 184 20.547 -18.931 33.097 1.00 0.00 ATOM 734 CE2 TYR 184 21.348 -19.018 30.830 1.00 0.00 ATOM 735 CZ TYR 184 21.457 -18.544 32.136 1.00 0.00 ATOM 736 OH TYR 184 22.477 -17.684 32.473 1.00 0.00 ATOM 737 O TYR 184 15.399 -19.224 30.359 1.00 0.00 ATOM 738 C TYR 184 16.544 -19.423 30.752 1.00 0.00 ATOM 739 N THR 185 17.569 -18.587 30.562 1.00 0.00 ATOM 740 CA THR 185 17.489 -17.302 29.839 1.00 0.00 ATOM 741 CB THR 185 18.019 -16.138 30.696 1.00 0.00 ATOM 742 CG2 THR 185 17.941 -14.829 29.924 1.00 0.00 ATOM 743 OG1 THR 185 17.229 -16.017 31.885 1.00 0.00 ATOM 744 O THR 185 19.326 -17.883 28.491 1.00 0.00 ATOM 745 C THR 185 18.252 -17.337 28.537 1.00 0.00 ATOM 746 N ALA 186 17.684 -16.793 27.459 1.00 0.00 ATOM 747 CA ALA 186 16.290 -16.414 27.255 1.00 0.00 ATOM 748 CB ALA 186 16.185 -15.331 26.193 1.00 0.00 ATOM 749 O ALA 186 15.816 -18.492 26.089 1.00 0.00 ATOM 750 C ALA 186 15.398 -17.626 26.851 1.00 0.00 ATOM 754 N MET 189 12.326 -15.977 22.406 1.00 0.00 ATOM 755 CA MET 189 13.106 -15.330 21.346 1.00 0.00 ATOM 756 CB MET 189 13.684 -16.378 20.392 1.00 0.00 ATOM 757 CG MET 189 14.532 -15.795 19.272 1.00 0.00 ATOM 758 SD MET 189 15.373 -17.064 18.305 1.00 0.00 ATOM 759 CE MET 189 16.379 -16.053 17.222 1.00 0.00 ATOM 760 O MET 189 11.009 -14.608 20.410 1.00 0.00 ATOM 761 C MET 189 12.190 -14.348 20.619 1.00 0.00 ATOM 762 N LYS 190 12.728 -13.198 20.264 1.00 0.00 ATOM 763 CA LYS 190 11.980 -12.226 19.487 1.00 0.00 ATOM 764 CB LYS 190 12.108 -10.832 20.104 1.00 0.00 ATOM 765 CG LYS 190 11.486 -10.705 21.486 1.00 0.00 ATOM 766 CD LYS 190 11.609 -9.287 22.018 1.00 0.00 ATOM 767 CE LYS 190 11.024 -9.171 23.416 1.00 0.00 ATOM 768 NZ LYS 190 11.177 -7.796 23.969 1.00 0.00 ATOM 769 O LYS 190 13.738 -12.444 17.858 1.00 0.00 ATOM 770 C LYS 190 12.532 -12.285 18.059 1.00 0.00 ATOM 771 N VAL 191 11.630 -12.288 17.077 1.00 0.00 ATOM 772 CA VAL 191 12.003 -12.392 15.653 1.00 0.00 ATOM 773 CB VAL 191 11.463 -13.688 15.021 1.00 0.00 ATOM 774 CG1 VAL 191 11.795 -13.737 13.537 1.00 0.00 ATOM 775 CG2 VAL 191 12.031 -14.905 15.736 1.00 0.00 ATOM 776 O VAL 191 10.284 -10.878 14.992 1.00 0.00 ATOM 777 C VAL 191 11.469 -11.159 14.930 1.00 0.00 ATOM 778 N TYR 192 12.386 -10.410 14.301 1.00 0.00 ATOM 779 CA TYR 192 12.093 -9.219 13.518 1.00 0.00 ATOM 780 CB TYR 192 13.088 -8.104 13.845 1.00 0.00 ATOM 781 CG TYR 192 12.958 -7.557 15.248 1.00 0.00 ATOM 782 CD1 TYR 192 13.628 -8.152 16.309 1.00 0.00 ATOM 783 CD2 TYR 192 12.163 -6.448 15.507 1.00 0.00 ATOM 784 CE1 TYR 192 13.514 -7.659 17.595 1.00 0.00 ATOM 785 CE2 TYR 192 12.038 -5.940 16.787 1.00 0.00 ATOM 786 CZ TYR 192 12.722 -6.557 17.834 1.00 0.00 ATOM 787 OH TYR 192 12.607 -6.065 19.113 1.00 0.00 ATOM 788 O TYR 192 13.136 -10.233 11.589 1.00 0.00 ATOM 789 C TYR 192 12.147 -9.642 12.061 1.00 0.00 ATOM 790 N THR 193 11.036 -9.375 11.377 1.00 0.00 ATOM 791 CA THR 193 10.905 -9.565 9.946 1.00 0.00 ATOM 792 CB THR 193 9.510 -10.100 9.573 1.00 0.00 ATOM 793 CG2 THR 193 9.387 -10.261 8.065 1.00 0.00 ATOM 794 OG1 THR 193 9.305 -11.380 10.187 1.00 0.00 ATOM 795 O THR 193 10.613 -7.182 9.794 1.00 0.00 ATOM 796 C THR 193 11.196 -8.175 9.384 1.00 0.00 ATOM 797 N TYR 194 12.159 -8.127 8.478 1.00 0.00 ATOM 798 CA TYR 194 12.553 -6.928 7.803 1.00 0.00 ATOM 799 CB TYR 194 14.073 -6.880 7.639 1.00 0.00 ATOM 800 CG TYR 194 14.574 -5.645 6.926 1.00 0.00 ATOM 801 CD1 TYR 194 14.608 -4.416 7.574 1.00 0.00 ATOM 802 CD2 TYR 194 15.010 -5.710 5.609 1.00 0.00 ATOM 803 CE1 TYR 194 15.064 -3.281 6.930 1.00 0.00 ATOM 804 CE2 TYR 194 15.469 -4.586 4.951 1.00 0.00 ATOM 805 CZ TYR 194 15.492 -3.365 5.622 1.00 0.00 ATOM 806 OH TYR 194 15.947 -2.236 4.979 1.00 0.00 ATOM 807 O TYR 194 11.916 -7.822 5.757 1.00 0.00 ATOM 808 C TYR 194 11.861 -6.888 6.495 1.00 0.00 ATOM 809 N ILE 195 11.165 -5.804 6.220 1.00 0.00 ATOM 810 CA ILE 195 10.556 -5.608 4.911 1.00 0.00 ATOM 811 CB ILE 195 9.635 -4.374 4.898 1.00 0.00 ATOM 812 CG1 ILE 195 8.767 -4.371 3.637 1.00 0.00 ATOM 813 CG2 ILE 195 10.452 -3.097 5.024 1.00 0.00 ATOM 814 CD1 ILE 195 7.685 -5.430 3.640 1.00 0.00 ATOM 815 O ILE 195 12.669 -4.852 4.045 1.00 0.00 ATOM 816 C ILE 195 11.623 -5.474 3.828 1.00 0.00 ATOM 817 N ASN 196 11.357 -6.075 2.676 1.00 0.00 ATOM 818 CA ASN 196 12.302 -6.065 1.556 1.00 0.00 ATOM 819 CB ASN 196 12.665 -7.494 1.148 1.00 0.00 ATOM 820 CG ASN 196 13.801 -7.542 0.145 1.00 0.00 ATOM 821 ND2 ASN 196 13.827 -8.594 -0.666 1.00 0.00 ATOM 822 OD1 ASN 196 14.643 -6.645 0.102 1.00 0.00 ATOM 823 O ASN 196 12.326 -5.373 -0.748 1.00 0.00 ATOM 824 C ASN 196 11.765 -5.296 0.340 1.00 0.00 TER END