PFRMAT TS TARGET T0205 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to 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 7 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 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) for METHOD finding and aligning more remote 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. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD The model from the raw alignment sam-t2k 3-track HMM alignment to METHOD 1nh9A, with sidechain optimization by SCWRL. This was our third automatic METHOD fold-recognition result. REMARK 6 REMARK 6 T0205 model 5 Sat Jul 3 20:15:58 2004 MODEL 5 PARENT 1nh9_A ATOM 2 N LYS 20 -4.269 39.726 35.150 1.00 0.00 ATOM 3 CA LYS 20 -4.333 40.405 33.862 1.00 0.00 ATOM 4 CB LYS 20 -4.834 41.841 34.037 1.00 0.00 ATOM 5 CG LYS 20 -6.277 41.941 34.502 1.00 0.00 ATOM 6 CD LYS 20 -6.717 43.392 34.622 1.00 0.00 ATOM 7 CE LYS 20 -8.155 43.494 35.105 1.00 0.00 ATOM 8 NZ LYS 20 -8.603 44.909 35.220 1.00 0.00 ATOM 9 O LYS 20 -1.999 39.845 33.746 1.00 0.00 ATOM 10 C LYS 20 -2.941 40.439 33.232 1.00 0.00 ATOM 11 N ASN 21 -2.813 41.153 32.128 1.00 0.00 ATOM 12 CA ASN 21 -1.555 41.205 31.401 1.00 0.00 ATOM 13 CB ASN 21 -1.766 40.822 29.936 1.00 0.00 ATOM 14 CG ASN 21 -2.694 41.777 29.211 1.00 0.00 ATOM 15 ND2 ASN 21 -2.811 41.606 27.900 1.00 0.00 ATOM 16 OD1 ASN 21 -3.296 42.658 29.824 1.00 0.00 ATOM 17 O ASN 21 -0.278 42.993 30.451 1.00 0.00 ATOM 18 C ASN 21 -0.912 42.600 31.414 1.00 0.00 ATOM 19 N ARG 22 -1.069 43.332 32.509 1.00 0.00 ATOM 20 CA ARG 22 -0.550 44.699 32.587 1.00 0.00 ATOM 21 CB ARG 22 -1.603 45.637 33.181 1.00 0.00 ATOM 22 CG ARG 22 -2.828 45.833 32.301 1.00 0.00 ATOM 23 CD ARG 22 -3.804 46.815 32.925 1.00 0.00 ATOM 24 NE ARG 22 -4.976 47.032 32.081 1.00 0.00 ATOM 25 CZ ARG 22 -5.970 47.862 32.381 1.00 0.00 ATOM 26 NH1 ARG 22 -6.997 47.995 31.552 1.00 0.00 ATOM 27 NH2 ARG 22 -5.935 48.558 33.509 1.00 0.00 ATOM 28 O ARG 22 0.792 44.139 34.473 1.00 0.00 ATOM 29 C ARG 22 0.685 44.815 33.451 1.00 0.00 ATOM 30 N ILE 23 1.615 45.667 33.022 1.00 0.00 ATOM 31 CA ILE 23 2.817 45.938 33.788 1.00 0.00 ATOM 32 CB ILE 23 4.077 45.440 33.056 1.00 0.00 ATOM 33 CG1 ILE 23 4.000 43.929 32.828 1.00 0.00 ATOM 34 CG2 ILE 23 5.323 45.741 33.874 1.00 0.00 ATOM 35 CD1 ILE 23 5.112 43.384 31.960 1.00 0.00 ATOM 36 O ILE 23 3.006 48.203 32.992 1.00 0.00 ATOM 37 C ILE 23 2.873 47.460 33.965 1.00 0.00 ATOM 38 N GLN 24 2.761 47.897 35.217 1.00 0.00 ATOM 39 CA GLN 24 2.789 49.301 35.582 1.00 0.00 ATOM 40 CB GLN 24 2.015 49.533 36.881 1.00 0.00 ATOM 41 CG GLN 24 0.532 49.211 36.784 1.00 0.00 ATOM 42 CD GLN 24 -0.212 50.158 35.864 1.00 0.00 ATOM 43 OE1 GLN 24 -0.052 51.375 35.950 1.00 0.00 ATOM 44 NE2 GLN 24 -1.030 49.600 34.979 1.00 0.00 ATOM 45 O GLN 24 4.900 49.292 36.695 1.00 0.00 ATOM 46 C GLN 24 4.231 49.744 35.781 1.00 0.00 ATOM 47 N VAL 25 4.709 50.632 34.918 1.00 0.00 ATOM 48 CA VAL 25 6.094 51.104 35.000 1.00 0.00 ATOM 49 CB VAL 25 6.604 51.596 33.632 1.00 0.00 ATOM 50 CG1 VAL 25 8.024 52.129 33.754 1.00 0.00 ATOM 51 CG2 VAL 25 6.604 50.458 32.623 1.00 0.00 ATOM 52 O VAL 25 5.584 53.305 35.807 1.00 0.00 ATOM 53 C VAL 25 6.212 52.262 35.985 1.00 0.00 ATOM 54 N SER 26 7.012 52.070 37.029 1.00 0.00 ATOM 55 CA SER 26 7.198 53.117 38.012 1.00 0.00 ATOM 56 CB SER 26 6.617 52.694 39.363 1.00 0.00 ATOM 57 OG SER 26 6.721 53.739 40.313 1.00 0.00 ATOM 58 O SER 26 9.454 53.601 37.314 1.00 0.00 ATOM 59 C SER 26 8.661 53.467 38.248 1.00 0.00 ATOM 63 N LYS 29 9.018 53.587 39.519 1.00 0.00 ATOM 64 CA LYS 29 10.360 53.961 39.916 1.00 0.00 ATOM 65 CB LYS 29 10.356 54.542 41.331 1.00 0.00 ATOM 66 CG LYS 29 9.615 55.863 41.459 1.00 0.00 ATOM 67 CD LYS 29 9.646 56.377 42.889 1.00 0.00 ATOM 68 CE LYS 29 8.911 57.702 43.015 1.00 0.00 ATOM 69 NZ LYS 29 8.899 58.200 44.418 1.00 0.00 ATOM 70 O LYS 29 12.599 53.186 40.154 1.00 0.00 ATOM 71 C LYS 29 11.424 52.876 39.956 1.00 0.00 ATOM 72 N LYS 30 11.046 51.616 39.774 1.00 0.00 ATOM 73 CA LYS 30 12.050 50.555 39.819 1.00 0.00 ATOM 74 CB LYS 30 11.378 49.182 39.809 1.00 0.00 ATOM 75 CG LYS 30 10.465 48.928 40.997 1.00 0.00 ATOM 76 CD LYS 30 11.260 48.799 42.287 1.00 0.00 ATOM 77 CE LYS 30 10.376 48.347 43.437 1.00 0.00 ATOM 78 NZ LYS 30 11.129 48.271 44.720 1.00 0.00 ATOM 79 O LYS 30 12.715 51.219 37.598 1.00 0.00 ATOM 80 C LYS 30 13.016 50.601 38.621 1.00 0.00 ATOM 81 N PRO 31 14.198 49.959 38.737 1.00 0.00 ATOM 82 CA PRO 31 15.143 49.981 37.611 1.00 0.00 ATOM 83 CB PRO 31 16.356 49.206 38.131 1.00 0.00 ATOM 84 CG PRO 31 16.265 49.322 39.616 1.00 0.00 ATOM 85 CD PRO 31 14.801 49.288 39.947 1.00 0.00 ATOM 86 O PRO 31 13.796 48.340 36.470 1.00 0.00 ATOM 87 C PRO 31 14.545 49.315 36.370 1.00 0.00 ATOM 88 N LEU 32 14.893 49.840 35.204 1.00 0.00 ATOM 89 CA LEU 32 14.375 49.330 33.943 1.00 0.00 ATOM 90 CB LEU 32 15.207 49.853 32.771 1.00 0.00 ATOM 91 CG LEU 32 15.000 51.322 32.395 1.00 0.00 ATOM 92 CD1 LEU 32 15.978 51.742 31.309 1.00 0.00 ATOM 93 CD2 LEU 32 13.587 51.549 31.876 1.00 0.00 ATOM 94 O LEU 32 13.404 47.221 33.384 1.00 0.00 ATOM 95 C LEU 32 14.382 47.807 33.830 1.00 0.00 ATOM 96 N PHE 33 15.460 47.158 34.252 1.00 0.00 ATOM 97 CA PHE 33 15.543 45.709 34.108 1.00 0.00 ATOM 98 CB PHE 33 16.878 45.193 34.648 1.00 0.00 ATOM 99 CG PHE 33 18.041 45.443 33.730 1.00 0.00 ATOM 100 CD1 PHE 33 18.933 46.470 33.986 1.00 0.00 ATOM 101 CD2 PHE 33 18.241 44.654 32.613 1.00 0.00 ATOM 102 CE1 PHE 33 20.003 46.700 33.142 1.00 0.00 ATOM 103 CE2 PHE 33 19.312 44.885 31.768 1.00 0.00 ATOM 104 CZ PHE 33 20.190 45.903 32.029 1.00 0.00 ATOM 105 O PHE 33 14.029 43.884 34.361 1.00 0.00 ATOM 106 C PHE 33 14.459 44.928 34.842 1.00 0.00 ATOM 107 N PHE 34 14.026 45.435 35.993 1.00 0.00 ATOM 108 CA PHE 34 12.958 44.799 36.765 1.00 0.00 ATOM 109 CB PHE 34 12.660 45.604 38.033 1.00 0.00 ATOM 110 CG PHE 34 11.567 45.018 38.880 1.00 0.00 ATOM 111 CD1 PHE 34 11.819 43.942 39.713 1.00 0.00 ATOM 112 CD2 PHE 34 10.288 45.543 38.842 1.00 0.00 ATOM 113 CE1 PHE 34 10.813 43.404 40.493 1.00 0.00 ATOM 114 CE2 PHE 34 9.281 45.005 39.623 1.00 0.00 ATOM 115 CZ PHE 34 9.540 43.940 40.446 1.00 0.00 ATOM 116 O PHE 34 10.985 43.711 35.910 1.00 0.00 ATOM 117 C PHE 34 11.679 44.722 35.911 1.00 0.00 ATOM 118 N TYR 35 11.377 45.793 35.186 1.00 0.00 ATOM 119 CA TYR 35 10.186 45.818 34.328 1.00 0.00 ATOM 120 CB TYR 35 9.866 47.250 33.895 1.00 0.00 ATOM 121 CG TYR 35 9.279 48.105 34.994 1.00 0.00 ATOM 122 CD1 TYR 35 10.041 49.083 35.620 1.00 0.00 ATOM 123 CD2 TYR 35 7.962 47.932 35.402 1.00 0.00 ATOM 124 CE1 TYR 35 9.511 49.869 36.626 1.00 0.00 ATOM 125 CE2 TYR 35 7.416 48.708 36.407 1.00 0.00 ATOM 126 CZ TYR 35 8.204 49.683 37.018 1.00 0.00 ATOM 127 OH TYR 35 7.673 50.464 38.019 1.00 0.00 ATOM 128 O TYR 35 9.456 44.420 32.531 1.00 0.00 ATOM 129 C TYR 35 10.398 44.986 33.083 1.00 0.00 ATOM 130 N VAL 36 11.635 44.921 32.610 1.00 0.00 ATOM 131 CA VAL 36 11.903 44.086 31.452 1.00 0.00 ATOM 132 CB VAL 36 13.377 44.174 31.020 1.00 0.00 ATOM 133 CG1 VAL 36 13.679 43.148 29.940 1.00 0.00 ATOM 134 CG2 VAL 36 13.690 45.557 30.469 1.00 0.00 ATOM 135 O VAL 36 10.938 41.898 31.109 1.00 0.00 ATOM 136 C VAL 36 11.562 42.637 31.858 1.00 0.00 ATOM 137 N ASN 37 11.999 42.222 33.039 1.00 0.00 ATOM 138 CA ASN 37 11.696 40.859 33.493 1.00 0.00 ATOM 139 CB ASN 37 12.424 40.556 34.804 1.00 0.00 ATOM 140 CG ASN 37 13.915 40.360 34.610 1.00 0.00 ATOM 141 ND2 ASN 37 14.676 40.524 35.685 1.00 0.00 ATOM 142 OD1 ASN 37 14.373 40.066 33.506 1.00 0.00 ATOM 143 O ASN 37 9.632 39.621 33.452 1.00 0.00 ATOM 144 C ASN 37 10.178 40.675 33.733 1.00 0.00 ATOM 145 N LEU 38 9.507 41.706 34.247 1.00 0.00 ATOM 146 CA LEU 38 8.071 41.591 34.506 1.00 0.00 ATOM 147 CB LEU 38 7.550 42.852 35.201 1.00 0.00 ATOM 148 CG LEU 38 8.011 43.070 36.643 1.00 0.00 ATOM 149 CD1 LEU 38 7.574 44.437 37.147 1.00 0.00 ATOM 150 CD2 LEU 38 7.421 42.013 37.564 1.00 0.00 ATOM 151 O LEU 38 6.395 40.602 33.114 1.00 0.00 ATOM 152 C LEU 38 7.327 41.411 33.191 1.00 0.00 ATOM 153 N ALA 39 7.751 42.132 32.150 1.00 0.00 ATOM 154 CA ALA 39 7.123 42.005 30.832 1.00 0.00 ATOM 155 CB ALA 39 7.700 43.029 29.867 1.00 0.00 ATOM 156 O ALA 39 6.489 40.008 29.662 1.00 0.00 ATOM 157 C ALA 39 7.374 40.598 30.271 1.00 0.00 ATOM 158 N LYS 40 8.588 40.077 30.444 1.00 0.00 ATOM 159 CA LYS 40 8.909 38.721 29.967 1.00 0.00 ATOM 160 CB LYS 40 10.381 38.396 30.227 1.00 0.00 ATOM 161 CG LYS 40 11.352 39.173 29.353 1.00 0.00 ATOM 162 CD LYS 40 12.793 38.801 29.662 1.00 0.00 ATOM 163 CE LYS 40 13.764 39.596 28.805 1.00 0.00 ATOM 164 NZ LYS 40 15.181 39.265 29.120 1.00 0.00 ATOM 165 O LYS 40 7.558 36.736 30.130 1.00 0.00 ATOM 166 C LYS 40 8.033 37.702 30.708 1.00 0.00 ATOM 167 N ARG 41 7.833 37.932 32.002 1.00 0.00 ATOM 168 CA ARG 41 6.996 37.046 32.816 1.00 0.00 ATOM 169 CB ARG 41 6.933 37.546 34.260 1.00 0.00 ATOM 170 CG ARG 41 8.232 37.381 35.032 1.00 0.00 ATOM 171 CD ARG 41 8.113 37.940 36.440 1.00 0.00 ATOM 172 NE ARG 41 9.369 37.834 37.179 1.00 0.00 ATOM 173 CZ ARG 41 9.553 38.296 38.411 1.00 0.00 ATOM 174 NH1 ARG 41 10.730 38.155 39.004 1.00 0.00 ATOM 175 NH2 ARG 41 8.558 38.901 39.046 1.00 0.00 ATOM 176 O ARG 41 4.992 35.912 32.110 1.00 0.00 ATOM 177 C ARG 41 5.563 36.988 32.265 1.00 0.00 ATOM 178 N TYR 42 4.995 38.148 31.949 1.00 0.00 ATOM 179 CA TYR 42 3.640 38.241 31.404 1.00 0.00 ATOM 180 CB TYR 42 3.211 39.704 31.281 1.00 0.00 ATOM 181 CG TYR 42 2.878 40.359 32.603 1.00 0.00 ATOM 182 CD1 TYR 42 3.758 41.255 33.195 1.00 0.00 ATOM 183 CD2 TYR 42 1.684 40.078 33.255 1.00 0.00 ATOM 184 CE1 TYR 42 3.463 41.858 34.403 1.00 0.00 ATOM 185 CE2 TYR 42 1.371 40.669 34.464 1.00 0.00 ATOM 186 CZ TYR 42 2.273 41.566 35.036 1.00 0.00 ATOM 187 OH TYR 42 1.976 42.165 36.238 1.00 0.00 ATOM 188 O TYR 42 2.559 36.985 29.679 1.00 0.00 ATOM 189 C TYR 42 3.557 37.610 30.027 1.00 0.00 ATOM 190 N MET 43 4.612 37.778 29.236 1.00 0.00 ATOM 191 CA MET 43 4.637 37.223 27.892 1.00 0.00 ATOM 192 CB MET 43 5.845 37.752 27.117 1.00 0.00 ATOM 193 CG MET 43 5.771 39.234 26.787 1.00 0.00 ATOM 194 SD MET 43 4.363 39.645 25.740 1.00 0.00 ATOM 195 CE MET 43 4.850 38.874 24.198 1.00 0.00 ATOM 196 O MET 43 4.555 35.044 26.863 1.00 0.00 ATOM 197 C MET 43 4.728 35.685 27.904 1.00 0.00 ATOM 198 N GLN 44 4.996 35.087 29.064 1.00 0.00 ATOM 199 CA GLN 44 5.063 33.617 29.127 1.00 0.00 ATOM 200 CB GLN 44 5.811 33.169 30.384 1.00 0.00 ATOM 201 CG GLN 44 7.292 33.503 30.379 1.00 0.00 ATOM 202 CD GLN 44 7.985 33.108 31.667 1.00 0.00 ATOM 203 OE1 GLN 44 7.347 32.619 32.600 1.00 0.00 ATOM 204 NE2 GLN 44 9.295 33.318 31.723 1.00 0.00 ATOM 205 O GLN 44 3.463 31.865 28.748 1.00 0.00 ATOM 206 C GLN 44 3.658 33.010 29.160 1.00 0.00 ATOM 207 N GLN 45 2.683 33.780 29.643 1.00 0.00 ATOM 208 CA GLN 45 1.289 33.303 29.743 1.00 0.00 ATOM 209 CB GLN 45 0.762 33.479 31.169 1.00 0.00 ATOM 210 CG GLN 45 1.488 32.635 32.205 1.00 0.00 ATOM 211 CD GLN 45 0.946 32.839 33.606 1.00 0.00 ATOM 212 OE1 GLN 45 -0.148 33.376 33.786 1.00 0.00 ATOM 213 NE2 GLN 45 1.709 32.411 34.604 1.00 0.00 ATOM 214 O GLN 45 -0.825 33.660 28.665 1.00 0.00 ATOM 215 C GLN 45 0.331 34.051 28.819 1.00 0.00 ATOM 216 N TYR 46 0.812 35.125 28.204 1.00 0.00 ATOM 217 CA TYR 46 -0.021 35.927 27.316 1.00 0.00 ATOM 218 CB TYR 46 -0.374 37.263 27.973 1.00 0.00 ATOM 219 CG TYR 46 -1.181 37.126 29.245 1.00 0.00 ATOM 220 CD1 TYR 46 -0.550 36.998 30.476 1.00 0.00 ATOM 221 CD2 TYR 46 -2.569 37.123 29.210 1.00 0.00 ATOM 222 CE1 TYR 46 -1.279 36.872 31.644 1.00 0.00 ATOM 223 CE2 TYR 46 -3.314 36.997 30.368 1.00 0.00 ATOM 224 CZ TYR 46 -2.655 36.872 31.591 1.00 0.00 ATOM 225 OH TYR 46 -3.383 36.747 32.752 1.00 0.00 ATOM 226 O TYR 46 1.914 36.279 25.952 1.00 0.00 ATOM 227 C TYR 46 0.690 36.224 26.003 1.00 0.00 ATOM 228 N ASN 47 -0.086 36.420 24.943 1.00 0.00 ATOM 229 CA ASN 47 0.475 36.754 23.641 1.00 0.00 ATOM 230 CB ASN 47 -0.367 36.140 22.522 1.00 0.00 ATOM 231 CG ASN 47 -0.247 34.628 22.465 1.00 0.00 ATOM 232 ND2 ASN 47 -1.284 33.973 21.956 1.00 0.00 ATOM 233 OD1 ASN 47 0.767 34.061 22.873 1.00 0.00 ATOM 234 O ASN 47 1.024 38.816 22.544 1.00 0.00 ATOM 235 C ASN 47 0.482 38.277 23.502 1.00 0.00 ATOM 236 N ASP 48 -0.138 38.947 24.472 1.00 0.00 ATOM 237 CA ASP 48 -0.193 40.409 24.515 1.00 0.00 ATOM 238 CB ASP 48 -1.588 40.903 24.129 1.00 0.00 ATOM 239 CG ASP 48 -1.644 42.408 23.948 1.00 0.00 ATOM 240 OD1 ASP 48 -1.351 43.135 24.921 1.00 0.00 ATOM 241 OD2 ASP 48 -1.979 42.861 22.833 1.00 0.00 ATOM 242 O ASP 48 -0.304 40.344 26.915 1.00 0.00 ATOM 243 C ASP 48 0.125 40.927 25.917 1.00 0.00 ATOM 244 N VAL 49 0.871 42.024 26.002 1.00 0.00 ATOM 245 CA VAL 49 1.161 42.614 27.306 1.00 0.00 ATOM 246 CB VAL 49 2.608 42.321 27.748 1.00 0.00 ATOM 247 CG1 VAL 49 3.597 42.925 26.764 1.00 0.00 ATOM 248 CG2 VAL 49 2.875 42.914 29.123 1.00 0.00 ATOM 249 O VAL 49 1.364 44.742 26.235 1.00 0.00 ATOM 250 C VAL 49 0.972 44.116 27.224 1.00 0.00 ATOM 251 N GLU 50 0.340 44.682 28.245 1.00 0.00 ATOM 252 CA GLU 50 0.113 46.121 28.278 1.00 0.00 ATOM 253 CB GLU 50 -1.325 46.426 28.705 1.00 0.00 ATOM 254 CG GLU 50 -2.377 45.987 27.700 1.00 0.00 ATOM 255 CD GLU 50 -3.783 46.365 28.123 1.00 0.00 ATOM 256 OE1 GLU 50 -3.929 47.021 29.175 1.00 0.00 ATOM 257 OE2 GLU 50 -4.737 46.005 27.402 1.00 0.00 ATOM 258 O GLU 50 1.028 46.532 30.466 1.00 0.00 ATOM 259 C GLU 50 1.055 46.812 29.268 1.00 0.00 ATOM 260 N LEU 51 1.871 47.725 28.748 1.00 0.00 ATOM 261 CA LEU 51 2.816 48.497 29.546 1.00 0.00 ATOM 262 CB LEU 51 4.162 48.603 28.829 1.00 0.00 ATOM 263 CG LEU 51 4.880 47.286 28.533 1.00 0.00 ATOM 264 CD1 LEU 51 6.168 47.535 27.763 1.00 0.00 ATOM 265 CD2 LEU 51 5.230 46.563 29.826 1.00 0.00 ATOM 266 O LEU 51 1.847 50.561 28.764 1.00 0.00 ATOM 267 C LEU 51 2.194 49.889 29.731 1.00 0.00 ATOM 268 N SER 52 2.044 50.297 30.977 1.00 0.00 ATOM 269 CA SER 52 1.452 51.582 31.306 1.00 0.00 ATOM 270 CB SER 52 0.145 51.388 32.077 1.00 0.00 ATOM 271 OG SER 52 -0.835 50.758 31.270 1.00 0.00 ATOM 272 O SER 52 3.119 51.795 32.996 1.00 0.00 ATOM 273 C SER 52 2.429 52.371 32.165 1.00 0.00 ATOM 274 N ALA 53 2.485 53.689 31.971 1.00 0.00 ATOM 275 CA ALA 53 3.352 54.536 32.783 1.00 0.00 ATOM 276 CB ALA 53 4.772 54.519 32.237 1.00 0.00 ATOM 277 O ALA 53 2.078 56.343 31.840 1.00 0.00 ATOM 278 C ALA 53 2.821 55.965 32.755 1.00 0.00 ATOM 279 N LEU 54 3.204 56.745 33.765 1.00 0.00 ATOM 280 CA LEU 54 2.781 58.140 33.878 1.00 0.00 ATOM 281 CB LEU 54 1.799 58.309 35.039 1.00 0.00 ATOM 282 CG LEU 54 0.492 57.518 34.941 1.00 0.00 ATOM 283 CD1 LEU 54 -0.308 57.641 36.229 1.00 0.00 ATOM 284 CD2 LEU 54 -0.367 58.039 33.799 1.00 0.00 ATOM 285 O LEU 54 5.000 58.646 34.655 1.00 0.00 ATOM 286 C LEU 54 3.964 59.068 34.130 1.00 0.00 ATOM 287 N GLY 55 3.793 60.335 33.764 1.00 0.00 ATOM 288 CA GLY 55 4.843 61.317 33.973 1.00 0.00 ATOM 289 O GLY 55 6.408 60.495 32.347 1.00 0.00 ATOM 290 C GLY 55 6.231 60.946 33.485 1.00 0.00 ATOM 291 N MET 56 7.225 61.132 34.353 1.00 0.00 ATOM 292 CA MET 56 8.622 60.831 34.018 1.00 0.00 ATOM 293 CB MET 56 9.547 61.245 35.164 1.00 0.00 ATOM 294 CG MET 56 9.648 62.748 35.367 1.00 0.00 ATOM 295 SD MET 56 10.296 63.605 33.921 1.00 0.00 ATOM 296 CE MET 56 11.975 62.982 33.882 1.00 0.00 ATOM 297 O MET 56 9.919 59.021 33.159 1.00 0.00 ATOM 298 C MET 56 8.901 59.353 33.750 1.00 0.00 ATOM 299 N ALA 57 8.005 58.456 34.160 1.00 0.00 ATOM 300 CA ALA 57 8.217 57.018 33.902 1.00 0.00 ATOM 301 CB ALA 57 7.334 56.179 34.813 1.00 0.00 ATOM 302 O ALA 57 8.178 55.554 31.985 1.00 0.00 ATOM 303 C ALA 57 7.883 56.650 32.450 1.00 0.00 ATOM 304 N ILE 58 7.285 57.583 31.725 1.00 0.00 ATOM 305 CA ILE 58 6.946 57.334 30.326 1.00 0.00 ATOM 306 CB ILE 58 6.298 58.568 29.673 1.00 0.00 ATOM 307 CG1 ILE 58 4.920 58.832 30.283 1.00 0.00 ATOM 308 CG2 ILE 58 6.130 58.353 28.176 1.00 0.00 ATOM 309 CD1 ILE 58 4.327 60.170 29.895 1.00 0.00 ATOM 310 O ILE 58 8.138 56.093 28.673 1.00 0.00 ATOM 311 C ILE 58 8.182 56.983 29.511 1.00 0.00 ATOM 312 N ALA 59 9.294 57.672 29.752 1.00 0.00 ATOM 313 CA ALA 59 10.474 57.379 28.971 1.00 0.00 ATOM 314 CB ALA 59 11.556 58.414 29.237 1.00 0.00 ATOM 315 O ALA 59 11.654 55.376 28.459 1.00 0.00 ATOM 316 C ALA 59 11.041 56.009 29.311 1.00 0.00 ATOM 317 N THR 60 10.816 55.556 30.546 1.00 0.00 ATOM 318 CA THR 60 11.284 54.239 30.979 1.00 0.00 ATOM 319 CB THR 60 11.221 54.093 32.511 1.00 0.00 ATOM 320 CG2 THR 60 12.097 55.141 33.181 1.00 0.00 ATOM 321 OG1 THR 60 9.871 54.263 32.955 1.00 0.00 ATOM 322 O THR 60 10.836 52.095 29.965 1.00 0.00 ATOM 323 C THR 60 10.377 53.178 30.331 1.00 0.00 ATOM 324 N VAL 61 9.088 53.494 30.172 1.00 0.00 ATOM 325 CA VAL 61 8.158 52.546 29.530 1.00 0.00 ATOM 326 CB VAL 61 6.715 53.084 29.527 1.00 0.00 ATOM 327 CG1 VAL 61 5.814 52.188 28.690 1.00 0.00 ATOM 328 CG2 VAL 61 6.162 53.133 30.944 1.00 0.00 ATOM 329 O VAL 61 8.566 51.193 27.587 1.00 0.00 ATOM 330 C VAL 61 8.599 52.321 28.089 1.00 0.00 ATOM 331 N VAL 62 9.027 53.387 27.420 1.00 0.00 ATOM 332 CA VAL 62 9.484 53.222 26.052 1.00 0.00 ATOM 333 CB VAL 62 9.737 54.581 25.374 1.00 0.00 ATOM 334 CG1 VAL 62 10.390 54.385 24.015 1.00 0.00 ATOM 335 CG2 VAL 62 8.427 55.329 25.174 1.00 0.00 ATOM 336 O VAL 62 10.984 51.551 25.197 1.00 0.00 ATOM 337 C VAL 62 10.797 52.420 26.046 1.00 0.00 ATOM 338 N THR 63 11.700 52.712 26.984 1.00 0.00 ATOM 339 CA THR 63 12.956 51.957 27.081 1.00 0.00 ATOM 340 CB THR 63 13.796 52.413 28.288 1.00 0.00 ATOM 341 CG2 THR 63 15.071 51.590 28.390 1.00 0.00 ATOM 342 OG1 THR 63 14.144 53.794 28.138 1.00 0.00 ATOM 343 O THR 63 13.310 49.627 26.616 1.00 0.00 ATOM 344 C THR 63 12.668 50.472 27.240 1.00 0.00 ATOM 345 N VAL 64 11.711 50.161 28.104 1.00 0.00 ATOM 346 CA VAL 64 11.373 48.763 28.335 1.00 0.00 ATOM 347 CB VAL 64 10.290 48.616 29.419 1.00 0.00 ATOM 348 CG1 VAL 64 9.811 47.174 29.502 1.00 0.00 ATOM 349 CG2 VAL 64 10.839 49.018 30.780 1.00 0.00 ATOM 350 O VAL 64 11.303 47.018 26.685 1.00 0.00 ATOM 351 C VAL 64 10.843 48.102 27.072 1.00 0.00 ATOM 352 N THR 65 9.895 48.758 26.407 1.00 0.00 ATOM 353 CA THR 65 9.324 48.175 25.188 1.00 0.00 ATOM 354 CB THR 65 8.192 49.052 24.620 1.00 0.00 ATOM 355 CG2 THR 65 7.643 48.448 23.336 1.00 0.00 ATOM 356 OG1 THR 65 7.132 49.148 25.579 1.00 0.00 ATOM 357 O THR 65 10.385 47.028 23.373 1.00 0.00 ATOM 358 C THR 65 10.378 48.030 24.109 1.00 0.00 ATOM 359 N GLU 66 11.269 49.016 23.996 1.00 0.00 ATOM 360 CA GLU 66 12.315 48.938 22.958 1.00 0.00 ATOM 361 CB GLU 66 13.099 50.250 22.886 1.00 0.00 ATOM 362 CG GLU 66 12.304 51.417 22.323 1.00 0.00 ATOM 363 CD GLU 66 13.068 52.725 22.383 1.00 0.00 ATOM 364 OE1 GLU 66 14.192 52.733 22.929 1.00 0.00 ATOM 365 OE2 GLU 66 12.544 53.742 21.882 1.00 0.00 ATOM 366 O GLU 66 13.802 47.128 22.335 1.00 0.00 ATOM 367 C GLU 66 13.311 47.811 23.247 1.00 0.00 ATOM 368 N ILE 67 13.606 47.608 24.520 1.00 0.00 ATOM 369 CA ILE 67 14.525 46.533 24.884 1.00 0.00 ATOM 370 CB ILE 67 14.811 46.523 26.397 1.00 0.00 ATOM 371 CG1 ILE 67 15.611 47.763 26.798 1.00 0.00 ATOM 372 CG2 ILE 67 15.614 45.288 26.780 1.00 0.00 ATOM 373 CD1 ILE 67 15.707 47.972 28.294 1.00 0.00 ATOM 374 O ILE 67 14.645 44.323 23.954 1.00 0.00 ATOM 375 C ILE 67 13.950 45.164 24.514 1.00 0.00 ATOM 376 N LEU 68 12.673 44.944 24.816 1.00 0.00 ATOM 377 CA LEU 68 12.023 43.666 24.507 1.00 0.00 ATOM 378 CB LEU 68 10.549 43.703 24.913 1.00 0.00 ATOM 379 CG LEU 68 10.260 43.716 26.415 1.00 0.00 ATOM 380 CD1 LEU 68 8.779 43.945 26.677 1.00 0.00 ATOM 381 CD2 LEU 68 10.655 42.391 27.050 1.00 0.00 ATOM 382 O LEU 68 12.529 42.343 22.545 1.00 0.00 ATOM 383 C LEU 68 12.128 43.416 23.000 1.00 0.00 ATOM 384 N LYS 69 11.782 44.444 22.240 1.00 0.00 ATOM 385 CA LYS 69 11.794 44.425 20.786 1.00 0.00 ATOM 386 CB LYS 69 11.210 45.725 20.228 1.00 0.00 ATOM 387 CG LYS 69 9.713 45.874 20.438 1.00 0.00 ATOM 388 CD LYS 69 9.201 47.181 19.855 1.00 0.00 ATOM 389 CE LYS 69 7.709 47.346 20.094 1.00 0.00 ATOM 390 NZ LYS 69 7.198 48.633 19.551 1.00 0.00 ATOM 391 O LYS 69 13.419 43.531 19.240 1.00 0.00 ATOM 392 C LYS 69 13.200 44.274 20.197 1.00 0.00 ATOM 393 N ASN 70 14.157 44.980 20.779 1.00 0.00 ATOM 394 CA ASN 70 15.524 44.941 20.272 1.00 0.00 ATOM 395 CB ASN 70 16.314 46.153 20.769 1.00 0.00 ATOM 396 CG ASN 70 15.863 47.448 20.125 1.00 0.00 ATOM 397 ND2 ASN 70 16.151 48.566 20.780 1.00 0.00 ATOM 398 OD1 ASN 70 15.262 47.440 19.050 1.00 0.00 ATOM 399 O ASN 70 17.091 43.211 19.858 1.00 0.00 ATOM 400 C ASN 70 16.336 43.728 20.673 1.00 0.00 ATOM 401 N ASN 71 16.177 43.276 21.915 1.00 0.00 ATOM 402 CA ASN 71 16.998 42.187 22.430 1.00 0.00 ATOM 403 CB ASN 71 17.759 42.634 23.678 1.00 0.00 ATOM 404 CG ASN 71 18.701 43.791 23.404 1.00 0.00 ATOM 405 ND2 ASN 71 18.366 44.962 23.933 1.00 0.00 ATOM 406 OD1 ASN 71 19.716 43.630 22.726 1.00 0.00 ATOM 407 O ASN 71 17.139 39.880 23.006 1.00 0.00 ATOM 408 C ASN 71 16.402 40.859 22.879 1.00 0.00 ATOM 409 N GLY 72 15.095 40.792 23.113 1.00 0.00 ATOM 410 CA GLY 72 14.531 39.556 23.622 1.00 0.00 ATOM 411 O GLY 72 13.684 37.620 22.550 1.00 0.00 ATOM 412 C GLY 72 13.557 38.820 22.745 1.00 0.00 ATOM 413 N PHE 73 12.571 39.533 22.230 1.00 0.00 ATOM 414 CA PHE 73 11.574 38.931 21.361 1.00 0.00 ATOM 415 CB PHE 73 10.211 38.891 22.055 1.00 0.00 ATOM 416 CG PHE 73 10.215 38.137 23.353 1.00 0.00 ATOM 417 CD1 PHE 73 10.328 38.806 24.560 1.00 0.00 ATOM 418 CD2 PHE 73 10.104 36.756 23.369 1.00 0.00 ATOM 419 CE1 PHE 73 10.331 38.111 25.754 1.00 0.00 ATOM 420 CE2 PHE 73 10.107 36.063 24.564 1.00 0.00 ATOM 421 CZ PHE 73 10.219 36.734 25.754 1.00 0.00 ATOM 422 O PHE 73 10.645 40.637 19.964 1.00 0.00 ATOM 423 C PHE 73 11.552 39.827 20.143 1.00 0.00 ATOM 424 N ALA 74 4.266 46.019 17.943 1.00 0.00 ATOM 425 CA ALA 74 3.642 47.034 18.783 1.00 0.00 ATOM 426 CB ALA 74 4.402 48.348 18.682 1.00 0.00 ATOM 427 O ALA 74 1.999 47.850 17.250 1.00 0.00 ATOM 428 C ALA 74 2.225 47.182 18.253 1.00 0.00 ATOM 429 N VAL 75 1.276 46.549 18.933 1.00 0.00 ATOM 430 CA VAL 75 -0.124 46.557 18.526 1.00 0.00 ATOM 431 CB VAL 75 -0.948 45.522 19.315 1.00 0.00 ATOM 432 CG1 VAL 75 -2.429 45.673 19.006 1.00 0.00 ATOM 433 CG2 VAL 75 -0.521 44.109 18.947 1.00 0.00 ATOM 434 O VAL 75 -1.767 48.240 17.966 1.00 0.00 ATOM 435 C VAL 75 -0.853 47.890 18.721 1.00 0.00 ATOM 436 N GLU 76 -0.455 48.642 19.733 1.00 0.00 ATOM 437 CA GLU 76 -1.112 49.903 19.988 1.00 0.00 ATOM 438 CB GLU 76 -2.494 49.672 20.604 1.00 0.00 ATOM 439 CG GLU 76 -3.259 50.949 20.909 1.00 0.00 ATOM 440 CD GLU 76 -4.649 50.680 21.448 1.00 0.00 ATOM 441 OE1 GLU 76 -4.979 49.498 21.681 1.00 0.00 ATOM 442 OE2 GLU 76 -5.411 51.652 21.641 1.00 0.00 ATOM 443 O GLU 76 0.409 50.235 21.808 1.00 0.00 ATOM 444 C GLU 76 -0.304 50.756 20.947 1.00 0.00 ATOM 445 N LYS 77 -0.404 52.067 20.760 1.00 0.00 ATOM 446 CA LYS 77 0.245 53.049 21.626 1.00 0.00 ATOM 447 CB LYS 77 1.519 53.584 20.970 1.00 0.00 ATOM 448 CG LYS 77 2.330 54.516 21.858 1.00 0.00 ATOM 449 CD LYS 77 3.622 54.939 21.178 1.00 0.00 ATOM 450 CE LYS 77 4.386 55.944 22.024 1.00 0.00 ATOM 451 NZ LYS 77 5.679 56.333 21.392 1.00 0.00 ATOM 452 O LYS 77 -1.325 54.638 20.836 1.00 0.00 ATOM 453 C LYS 77 -0.773 54.135 21.804 1.00 0.00 ATOM 454 N LYS 78 -1.032 54.491 23.048 1.00 0.00 ATOM 455 CA LYS 78 -2.007 55.515 23.323 1.00 0.00 ATOM 456 CB LYS 78 -3.323 54.891 23.790 1.00 0.00 ATOM 457 CG LYS 78 -4.443 55.895 24.009 1.00 0.00 ATOM 458 CD LYS 78 -5.743 55.200 24.382 1.00 0.00 ATOM 459 CE LYS 78 -6.863 56.204 24.597 1.00 0.00 ATOM 460 NZ LYS 78 -8.140 55.538 24.976 1.00 0.00 ATOM 461 O LYS 78 -0.867 55.966 25.368 1.00 0.00 ATOM 462 C LYS 78 -1.482 56.435 24.414 1.00 0.00 ATOM 463 N ILE 79 -1.671 57.742 24.258 1.00 0.00 ATOM 464 CA ILE 79 -1.243 58.671 25.305 1.00 0.00 ATOM 465 CB ILE 79 -0.263 59.726 24.759 1.00 0.00 ATOM 466 CG1 ILE 79 -0.928 60.549 23.654 1.00 0.00 ATOM 467 CG2 ILE 79 0.975 59.055 24.183 1.00 0.00 ATOM 468 CD1 ILE 79 -0.109 61.738 23.201 1.00 0.00 ATOM 469 O ILE 79 -3.505 59.452 25.179 1.00 0.00 ATOM 470 C ILE 79 -2.475 59.372 25.851 1.00 0.00 ATOM 471 N MET 80 -2.364 59.875 27.069 1.00 0.00 ATOM 472 CA MET 80 -3.481 60.562 27.687 1.00 0.00 ATOM 473 CB MET 80 -4.541 59.558 28.144 1.00 0.00 ATOM 474 CG MET 80 -4.067 58.609 29.234 1.00 0.00 ATOM 475 SD MET 80 -5.324 57.403 29.700 1.00 0.00 ATOM 476 CE MET 80 -5.233 56.268 28.318 1.00 0.00 ATOM 477 O MET 80 -1.827 61.602 29.051 1.00 0.00 ATOM 478 C MET 80 -3.024 61.352 28.894 1.00 0.00 ATOM 479 N THR 81 -3.982 61.752 29.731 1.00 0.00 ATOM 480 CA THR 81 -3.730 62.516 30.947 1.00 0.00 ATOM 481 CB THR 81 -4.146 63.990 30.782 1.00 0.00 ATOM 482 CG2 THR 81 -3.862 64.768 32.059 1.00 0.00 ATOM 483 OG1 THR 81 -3.408 64.581 29.706 1.00 0.00 ATOM 484 O THR 81 -5.700 61.666 32.013 1.00 0.00 ATOM 485 C THR 81 -4.516 61.946 32.145 1.00 0.00 ATOM 486 N SER 82 -3.857 61.783 33.295 1.00 0.00 ATOM 487 CA SER 82 -4.483 61.274 34.533 1.00 0.00 ATOM 488 CB SER 82 -3.703 60.073 35.073 1.00 0.00 ATOM 489 OG SER 82 -3.660 59.024 34.122 1.00 0.00 ATOM 490 O SER 82 -4.049 63.474 35.364 1.00 0.00 ATOM 491 C SER 82 -4.501 62.358 35.601 1.00 0.00 ATOM 495 N VAL 95 -3.848 67.830 39.956 1.00 0.00 ATOM 496 CA VAL 95 -2.817 68.017 38.941 1.00 0.00 ATOM 497 CB VAL 95 -1.404 67.901 39.542 1.00 0.00 ATOM 498 CG1 VAL 95 -0.353 67.930 38.442 1.00 0.00 ATOM 499 CG2 VAL 95 -1.134 69.054 40.495 1.00 0.00 ATOM 500 O VAL 95 -3.179 65.821 38.043 1.00 0.00 ATOM 501 C VAL 95 -2.896 66.993 37.813 1.00 0.00 ATOM 502 N GLN 96 -2.637 67.454 36.594 1.00 0.00 ATOM 503 CA GLN 96 -2.640 66.585 35.429 1.00 0.00 ATOM 504 CB GLN 96 -2.919 67.394 34.160 1.00 0.00 ATOM 505 CG GLN 96 -4.267 68.095 34.153 1.00 0.00 ATOM 506 CD GLN 96 -5.429 67.123 34.208 1.00 0.00 ATOM 507 OE1 GLN 96 -5.529 66.213 33.386 1.00 0.00 ATOM 508 NE2 GLN 96 -6.312 67.314 35.181 1.00 0.00 ATOM 509 O GLN 96 -0.236 66.452 35.608 1.00 0.00 ATOM 510 C GLN 96 -1.290 65.895 35.274 1.00 0.00 ATOM 511 N LYS 97 -1.321 64.668 34.775 1.00 0.00 ATOM 512 CA LYS 97 -0.087 63.933 34.553 1.00 0.00 ATOM 513 CB LYS 97 0.194 62.994 35.727 1.00 0.00 ATOM 514 CG LYS 97 1.532 62.278 35.642 1.00 0.00 ATOM 515 CD LYS 97 1.787 61.433 36.879 1.00 0.00 ATOM 516 CE LYS 97 3.079 60.644 36.753 1.00 0.00 ATOM 517 NZ LYS 97 3.365 59.846 37.977 1.00 0.00 ATOM 518 O LYS 97 -1.306 62.517 33.069 1.00 0.00 ATOM 519 C LYS 97 -0.274 63.136 33.274 1.00 0.00 ATOM 520 N ALA 98 0.715 63.191 32.398 1.00 0.00 ATOM 521 CA ALA 98 0.662 62.459 31.135 1.00 0.00 ATOM 522 CB ALA 98 1.779 62.915 30.210 1.00 0.00 ATOM 523 O ALA 98 1.508 60.546 32.291 1.00 0.00 ATOM 524 C ALA 98 0.817 60.971 31.363 1.00 0.00 ATOM 525 N LYS 99 0.166 60.198 30.498 1.00 0.00 ATOM 526 CA LYS 99 0.201 58.754 30.554 1.00 0.00 ATOM 527 CB LYS 99 -1.134 58.205 31.060 1.00 0.00 ATOM 528 CG LYS 99 -1.220 56.688 31.064 1.00 0.00 ATOM 529 CD LYS 99 -2.576 56.213 31.560 1.00 0.00 ATOM 530 CE LYS 99 -2.653 54.694 31.589 1.00 0.00 ATOM 531 NZ LYS 99 -3.975 54.216 32.080 1.00 0.00 ATOM 532 O LYS 99 0.200 58.825 28.142 1.00 0.00 ATOM 533 C LYS 99 0.465 58.188 29.172 1.00 0.00 ATOM 534 N ILE 100 1.001 56.977 29.161 1.00 0.00 ATOM 535 CA ILE 100 1.238 56.256 27.924 1.00 0.00 ATOM 536 CB ILE 100 2.713 56.349 27.492 1.00 0.00 ATOM 537 CG1 ILE 100 2.898 55.749 26.095 1.00 0.00 ATOM 538 CG2 ILE 100 3.602 55.588 28.464 1.00 0.00 ATOM 539 CD1 ILE 100 4.238 56.065 25.469 1.00 0.00 ATOM 540 O ILE 100 0.967 54.315 29.337 1.00 0.00 ATOM 541 C ILE 100 0.858 54.803 28.209 1.00 0.00 ATOM 542 N GLU 101 0.373 54.137 27.183 1.00 0.00 ATOM 543 CA GLU 101 0.021 52.737 27.278 1.00 0.00 ATOM 544 CB GLU 101 -1.495 52.573 27.398 1.00 0.00 ATOM 545 CG GLU 101 -1.955 51.128 27.511 1.00 0.00 ATOM 546 CD GLU 101 -3.444 51.009 27.764 1.00 0.00 ATOM 547 OE1 GLU 101 -4.104 52.057 27.934 1.00 0.00 ATOM 548 OE2 GLU 101 -3.954 49.869 27.792 1.00 0.00 ATOM 549 O GLU 101 0.225 52.635 24.911 1.00 0.00 ATOM 550 C GLU 101 0.558 52.155 25.982 1.00 0.00 ATOM 551 N ILE 102 1.420 51.148 26.095 1.00 0.00 ATOM 552 CA ILE 102 2.035 50.502 24.940 1.00 0.00 ATOM 553 CB ILE 102 3.571 50.620 24.978 1.00 0.00 ATOM 554 CG1 ILE 102 3.993 52.090 24.968 1.00 0.00 ATOM 555 CG2 ILE 102 4.187 49.932 23.770 1.00 0.00 ATOM 556 CD1 ILE 102 5.471 52.303 25.202 1.00 0.00 ATOM 557 O ILE 102 1.932 48.317 25.910 1.00 0.00 ATOM 558 C ILE 102 1.649 49.033 24.957 1.00 0.00 ATOM 559 N THR 103 0.997 48.576 23.900 1.00 0.00 ATOM 560 CA THR 103 0.593 47.182 23.864 1.00 0.00 ATOM 561 CB THR 103 -0.836 47.024 23.312 1.00 0.00 ATOM 562 CG2 THR 103 -1.230 45.555 23.266 1.00 0.00 ATOM 563 OG1 THR 103 -1.757 47.725 24.155 1.00 0.00 ATOM 564 O THR 103 1.682 46.708 21.795 1.00 0.00 ATOM 565 C THR 103 1.533 46.399 22.977 1.00 0.00 ATOM 566 N LEU 104 2.212 45.416 23.568 1.00 0.00 ATOM 567 CA LEU 104 3.117 44.562 22.812 1.00 0.00 ATOM 568 CB LEU 104 4.383 44.274 23.622 1.00 0.00 ATOM 569 CG LEU 104 5.230 45.488 24.009 1.00 0.00 ATOM 570 CD1 LEU 104 6.406 45.067 24.878 1.00 0.00 ATOM 571 CD2 LEU 104 5.778 46.178 22.771 1.00 0.00 ATOM 572 O LEU 104 1.676 42.717 23.378 1.00 0.00 ATOM 573 C LEU 104 2.375 43.249 22.514 1.00 0.00 ATOM 574 N VAL 105 2.523 42.734 21.295 1.00 0.00 ATOM 575 CA VAL 105 1.864 41.493 20.909 1.00 0.00 ATOM 576 CB VAL 105 0.627 41.759 20.031 1.00 0.00 ATOM 577 CG1 VAL 105 -0.140 40.468 19.786 1.00 0.00 ATOM 578 CG2 VAL 105 -0.304 42.750 20.712 1.00 0.00 ATOM 579 O VAL 105 3.643 41.103 19.341 1.00 0.00 ATOM 580 C VAL 105 2.819 40.614 20.122 1.00 0.00 TER END