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 1nfjA, with sidechain optimization by SCWRL. This was our top automatic METHOD fold-recognition result. REMARK 6 REMARK 6 T0205 model 3 Sat Jul 3 20:15:58 2004 MODEL 3 PARENT 1nfj_A ATOM 2 N ASN 21 -2.778 41.217 30.167 1.00 0.00 ATOM 3 CA ASN 21 -1.635 41.393 31.055 1.00 0.00 ATOM 4 CB ASN 21 -0.505 40.435 30.671 1.00 0.00 ATOM 5 CG ASN 21 0.666 40.500 31.630 1.00 0.00 ATOM 6 ND2 ASN 21 0.862 39.435 32.398 1.00 0.00 ATOM 7 OD1 ASN 21 1.386 41.497 31.679 1.00 0.00 ATOM 8 O ASN 21 -0.883 43.369 29.889 1.00 0.00 ATOM 9 C ASN 21 -1.104 42.817 30.972 1.00 0.00 ATOM 10 N ARG 22 -0.928 43.418 32.143 1.00 0.00 ATOM 11 CA ARG 22 -0.414 44.780 32.240 1.00 0.00 ATOM 12 CB ARG 22 -1.476 45.712 32.826 1.00 0.00 ATOM 13 CG ARG 22 -2.689 45.911 31.932 1.00 0.00 ATOM 14 CD ARG 22 -3.693 46.860 32.567 1.00 0.00 ATOM 15 NE ARG 22 -4.865 47.063 31.718 1.00 0.00 ATOM 16 CZ ARG 22 -5.918 47.799 32.063 1.00 0.00 ATOM 17 NH1 ARG 22 -6.939 47.928 31.226 1.00 0.00 ATOM 18 NH2 ARG 22 -5.947 48.405 33.242 1.00 0.00 ATOM 19 O ARG 22 0.888 44.353 34.221 1.00 0.00 ATOM 20 C ARG 22 0.820 44.918 33.125 1.00 0.00 ATOM 21 N ILE 23 1.787 45.690 32.640 1.00 0.00 ATOM 22 CA ILE 23 3.019 45.940 33.382 1.00 0.00 ATOM 23 CB ILE 23 4.254 45.442 32.608 1.00 0.00 ATOM 24 CG1 ILE 23 4.149 43.938 32.346 1.00 0.00 ATOM 25 CG2 ILE 23 5.523 45.704 33.405 1.00 0.00 ATOM 26 CD1 ILE 23 5.233 43.399 31.440 1.00 0.00 ATOM 27 O ILE 23 3.344 48.193 32.663 1.00 0.00 ATOM 28 C ILE 23 3.153 47.437 33.611 1.00 0.00 ATOM 29 N GLN 24 3.034 47.861 34.870 1.00 0.00 ATOM 30 CA GLN 24 3.162 49.275 35.203 1.00 0.00 ATOM 31 CB GLN 24 2.359 49.603 36.465 1.00 0.00 ATOM 32 CG GLN 24 2.395 51.070 36.858 1.00 0.00 ATOM 33 CD GLN 24 1.575 51.360 38.101 1.00 0.00 ATOM 34 OE1 GLN 24 0.920 50.472 38.644 1.00 0.00 ATOM 35 NE2 GLN 24 1.611 52.609 38.553 1.00 0.00 ATOM 36 O GLN 24 5.283 48.996 36.284 1.00 0.00 ATOM 37 C GLN 24 4.622 49.618 35.451 1.00 0.00 ATOM 38 N VAL 25 5.118 50.610 34.721 1.00 0.00 ATOM 39 CA VAL 25 6.508 51.030 34.826 1.00 0.00 ATOM 40 CB VAL 25 7.070 51.475 33.463 1.00 0.00 ATOM 41 CG1 VAL 25 8.509 51.946 33.607 1.00 0.00 ATOM 42 CG2 VAL 25 7.037 50.323 32.471 1.00 0.00 ATOM 43 O VAL 25 6.046 53.259 35.620 1.00 0.00 ATOM 44 C VAL 25 6.667 52.200 35.788 1.00 0.00 ATOM 45 N SER 26 7.511 52.003 36.795 1.00 0.00 ATOM 46 CA SER 26 7.750 53.040 37.777 1.00 0.00 ATOM 47 CB SER 26 7.486 52.512 39.190 1.00 0.00 ATOM 48 OG SER 26 8.357 51.438 39.502 1.00 0.00 ATOM 49 O SER 26 9.745 53.763 36.678 1.00 0.00 ATOM 50 C SER 26 9.173 53.556 37.748 1.00 0.00 ATOM 54 N LYS 29 9.754 53.749 38.929 1.00 0.00 ATOM 55 CA LYS 29 11.115 54.265 39.037 1.00 0.00 ATOM 56 CB LYS 29 11.221 55.256 40.199 1.00 0.00 ATOM 57 CG LYS 29 10.375 56.507 40.025 1.00 0.00 ATOM 58 CD LYS 29 10.537 57.450 41.207 1.00 0.00 ATOM 59 CE LYS 29 9.647 58.674 41.062 1.00 0.00 ATOM 60 NZ LYS 29 9.827 59.629 42.190 1.00 0.00 ATOM 61 O LYS 29 13.373 53.531 39.399 1.00 0.00 ATOM 62 C LYS 29 12.191 53.210 39.286 1.00 0.00 ATOM 63 N LYS 30 11.789 51.951 39.360 1.00 0.00 ATOM 64 CA LYS 30 12.747 50.880 39.589 1.00 0.00 ATOM 65 CB LYS 30 12.020 49.559 39.851 1.00 0.00 ATOM 66 CG LYS 30 11.242 49.527 41.157 1.00 0.00 ATOM 67 CD LYS 30 10.556 48.186 41.357 1.00 0.00 ATOM 68 CE LYS 30 9.823 48.135 42.688 1.00 0.00 ATOM 69 NZ LYS 30 9.186 46.809 42.920 1.00 0.00 ATOM 70 O LYS 30 13.331 51.312 37.298 1.00 0.00 ATOM 71 C LYS 30 13.627 50.737 38.345 1.00 0.00 ATOM 72 N PRO 31 14.745 50.005 38.450 1.00 0.00 ATOM 73 CA PRO 31 15.601 49.849 37.270 1.00 0.00 ATOM 74 CB PRO 31 16.664 48.844 37.714 1.00 0.00 ATOM 75 CG PRO 31 16.730 48.999 39.196 1.00 0.00 ATOM 76 CD PRO 31 15.319 49.247 39.652 1.00 0.00 ATOM 77 O PRO 31 13.816 48.601 36.269 1.00 0.00 ATOM 78 C PRO 31 14.791 49.329 36.089 1.00 0.00 ATOM 79 N LEU 32 15.197 49.706 34.882 1.00 0.00 ATOM 80 CA LEU 32 14.494 49.285 33.672 1.00 0.00 ATOM 81 CB LEU 32 15.205 49.818 32.426 1.00 0.00 ATOM 82 CG LEU 32 15.136 51.329 32.200 1.00 0.00 ATOM 83 CD1 LEU 32 16.028 51.741 31.039 1.00 0.00 ATOM 84 CD2 LEU 32 13.713 51.761 31.881 1.00 0.00 ATOM 85 O LEU 32 13.390 47.230 33.064 1.00 0.00 ATOM 86 C LEU 32 14.408 47.762 33.524 1.00 0.00 ATOM 87 N PHE 33 15.468 47.061 33.923 1.00 0.00 ATOM 88 CA PHE 33 15.510 45.601 33.809 1.00 0.00 ATOM 89 CB PHE 33 16.834 45.059 34.353 1.00 0.00 ATOM 90 CG PHE 33 17.998 45.259 33.423 1.00 0.00 ATOM 91 CD1 PHE 33 18.920 46.265 33.652 1.00 0.00 ATOM 92 CD2 PHE 33 18.170 44.441 32.322 1.00 0.00 ATOM 93 CE1 PHE 33 19.990 46.448 32.798 1.00 0.00 ATOM 94 CE2 PHE 33 19.240 44.625 31.466 1.00 0.00 ATOM 95 CZ PHE 33 20.148 45.622 31.701 1.00 0.00 ATOM 96 O PHE 33 14.001 43.773 34.171 1.00 0.00 ATOM 97 C PHE 33 14.407 44.865 34.568 1.00 0.00 ATOM 98 N PHE 34 13.927 45.449 35.661 1.00 0.00 ATOM 99 CA PHE 34 12.872 44.814 36.435 1.00 0.00 ATOM 100 CB PHE 34 12.558 45.636 37.687 1.00 0.00 ATOM 101 CG PHE 34 11.469 45.047 38.540 1.00 0.00 ATOM 102 CD1 PHE 34 11.732 43.990 39.391 1.00 0.00 ATOM 103 CD2 PHE 34 10.183 45.554 38.490 1.00 0.00 ATOM 104 CE1 PHE 34 10.731 43.450 40.175 1.00 0.00 ATOM 105 CE2 PHE 34 9.181 45.015 39.274 1.00 0.00 ATOM 106 CZ PHE 34 9.450 43.966 40.114 1.00 0.00 ATOM 107 O PHE 34 10.912 43.687 35.604 1.00 0.00 ATOM 108 C PHE 34 11.612 44.708 35.582 1.00 0.00 ATOM 109 N TYR 35 11.336 45.771 34.825 1.00 0.00 ATOM 110 CA TYR 35 10.142 45.828 33.992 1.00 0.00 ATOM 111 CB TYR 35 9.838 47.273 33.588 1.00 0.00 ATOM 112 CG TYR 35 8.541 47.437 32.829 1.00 0.00 ATOM 113 CD1 TYR 35 7.320 47.397 33.489 1.00 0.00 ATOM 114 CD2 TYR 35 8.543 47.630 31.453 1.00 0.00 ATOM 115 CE1 TYR 35 6.130 47.546 32.802 1.00 0.00 ATOM 116 CE2 TYR 35 7.362 47.780 30.750 1.00 0.00 ATOM 117 CZ TYR 35 6.151 47.737 31.437 1.00 0.00 ATOM 118 OH TYR 35 4.967 47.885 30.752 1.00 0.00 ATOM 119 O TYR 35 9.295 44.510 32.178 1.00 0.00 ATOM 120 C TYR 35 10.288 45.023 32.717 1.00 0.00 ATOM 121 N VAL 36 11.523 44.915 32.228 1.00 0.00 ATOM 122 CA VAL 36 11.802 44.120 31.026 1.00 0.00 ATOM 123 CB VAL 36 13.263 44.283 30.568 1.00 0.00 ATOM 124 CG1 VAL 36 13.580 43.313 29.440 1.00 0.00 ATOM 125 CG2 VAL 36 13.509 45.698 30.067 1.00 0.00 ATOM 126 O VAL 36 10.871 41.916 30.627 1.00 0.00 ATOM 127 C VAL 36 11.537 42.645 31.368 1.00 0.00 ATOM 128 N ASN 37 12.051 42.208 32.512 1.00 0.00 ATOM 129 CA ASN 37 11.850 40.823 32.938 1.00 0.00 ATOM 130 CB ASN 37 12.599 40.549 34.243 1.00 0.00 ATOM 131 CG ASN 37 14.099 40.465 34.047 1.00 0.00 ATOM 132 ND2 ASN 37 14.847 40.630 35.132 1.00 0.00 ATOM 133 OD1 ASN 37 14.580 40.255 32.933 1.00 0.00 ATOM 134 O ASN 37 9.847 39.510 32.724 1.00 0.00 ATOM 135 C ASN 37 10.365 40.530 33.169 1.00 0.00 ATOM 136 N LEU 38 9.684 41.442 33.852 1.00 0.00 ATOM 137 CA LEU 38 8.262 41.269 34.126 1.00 0.00 ATOM 138 CB LEU 38 7.706 42.488 34.865 1.00 0.00 ATOM 139 CG LEU 38 6.223 42.438 35.235 1.00 0.00 ATOM 140 CD1 LEU 38 5.941 41.272 36.171 1.00 0.00 ATOM 141 CD2 LEU 38 5.799 43.721 35.932 1.00 0.00 ATOM 142 O LEU 38 6.669 40.234 32.647 1.00 0.00 ATOM 143 C LEU 38 7.533 41.101 32.798 1.00 0.00 ATOM 144 N ALA 39 7.903 41.928 31.828 1.00 0.00 ATOM 145 CA ALA 39 7.296 41.884 30.499 1.00 0.00 ATOM 146 CB ALA 39 7.828 43.018 29.635 1.00 0.00 ATOM 147 O ALA 39 6.721 39.877 29.294 1.00 0.00 ATOM 148 C ALA 39 7.613 40.557 29.808 1.00 0.00 ATOM 149 N LYS 40 8.887 40.189 29.796 1.00 0.00 ATOM 150 CA LYS 40 9.303 38.934 29.188 1.00 0.00 ATOM 151 CB LYS 40 10.818 38.755 29.310 1.00 0.00 ATOM 152 CG LYS 40 11.627 39.752 28.497 1.00 0.00 ATOM 153 CD LYS 40 13.119 39.500 28.639 1.00 0.00 ATOM 154 CE LYS 40 13.929 40.510 27.842 1.00 0.00 ATOM 155 NZ LYS 40 15.394 40.283 27.986 1.00 0.00 ATOM 156 O LYS 40 8.211 36.795 29.228 1.00 0.00 ATOM 157 C LYS 40 8.618 37.760 29.882 1.00 0.00 ATOM 158 N ARG 41 5.641 37.504 31.334 1.00 0.00 ATOM 159 CA ARG 41 4.278 37.351 30.839 1.00 0.00 ATOM 160 CB ARG 41 3.578 38.709 30.772 1.00 0.00 ATOM 161 CG ARG 41 3.366 39.364 32.128 1.00 0.00 ATOM 162 CD ARG 41 2.344 38.604 32.956 1.00 0.00 ATOM 163 NE ARG 41 2.031 39.292 34.206 1.00 0.00 ATOM 164 CZ ARG 41 1.257 38.789 35.162 1.00 0.00 ATOM 165 NH1 ARG 41 1.028 39.486 36.266 1.00 0.00 ATOM 166 NH2 ARG 41 0.711 37.589 35.012 1.00 0.00 ATOM 167 O ARG 41 3.529 35.792 29.184 1.00 0.00 ATOM 168 C ARG 41 4.268 36.744 29.440 1.00 0.00 ATOM 169 N TYR 42 5.083 37.287 28.536 1.00 0.00 ATOM 170 CA TYR 42 5.145 36.773 27.167 1.00 0.00 ATOM 171 CB TYR 42 6.162 37.565 26.342 1.00 0.00 ATOM 172 CG TYR 42 6.259 37.124 24.899 1.00 0.00 ATOM 173 CD1 TYR 42 5.273 37.468 23.983 1.00 0.00 ATOM 174 CD2 TYR 42 7.335 36.364 24.459 1.00 0.00 ATOM 175 CE1 TYR 42 5.354 37.069 22.663 1.00 0.00 ATOM 176 CE2 TYR 42 7.432 35.956 23.142 1.00 0.00 ATOM 177 CZ TYR 42 6.429 36.315 22.243 1.00 0.00 ATOM 178 OH TYR 42 6.511 35.916 20.929 1.00 0.00 ATOM 179 O TYR 42 5.156 34.539 26.263 1.00 0.00 ATOM 180 C TYR 42 5.563 35.296 27.143 1.00 0.00 ATOM 181 N MET 43 6.372 34.893 28.117 1.00 0.00 ATOM 182 CA MET 43 6.847 33.512 28.209 1.00 0.00 ATOM 183 CB MET 43 8.239 33.466 28.842 1.00 0.00 ATOM 184 CG MET 43 9.314 34.171 28.030 1.00 0.00 ATOM 185 SD MET 43 9.493 33.489 26.372 1.00 0.00 ATOM 186 CE MET 43 10.149 31.865 26.741 1.00 0.00 ATOM 187 O MET 43 6.118 31.435 29.143 1.00 0.00 ATOM 188 C MET 43 5.929 32.646 29.055 1.00 0.00 ATOM 189 N GLN 44 4.936 33.265 29.677 1.00 0.00 ATOM 190 CA GLN 44 4.025 32.537 30.544 1.00 0.00 ATOM 191 CB GLN 44 3.878 33.252 31.888 1.00 0.00 ATOM 192 CG GLN 44 5.149 33.280 32.720 1.00 0.00 ATOM 193 CD GLN 44 5.009 34.121 33.973 1.00 0.00 ATOM 194 OE1 GLN 44 4.001 34.802 34.165 1.00 0.00 ATOM 195 NE2 GLN 44 6.021 34.074 34.833 1.00 0.00 ATOM 196 O GLN 44 1.655 32.251 30.735 1.00 0.00 ATOM 197 C GLN 44 2.617 32.382 29.977 1.00 0.00 ATOM 198 N GLN 45 2.492 32.408 28.655 1.00 0.00 ATOM 199 CA GLN 45 1.187 32.234 28.043 1.00 0.00 ATOM 200 CB GLN 45 0.233 31.524 29.005 1.00 0.00 ATOM 201 CG GLN 45 0.607 30.081 29.298 1.00 0.00 ATOM 202 CD GLN 45 -0.316 29.434 30.312 1.00 0.00 ATOM 203 OE1 GLN 45 -1.266 30.056 30.787 1.00 0.00 ATOM 204 NE2 GLN 45 -0.039 28.179 30.646 1.00 0.00 ATOM 205 O GLN 45 -0.788 33.424 27.440 1.00 0.00 ATOM 206 C GLN 45 0.430 33.478 27.609 1.00 0.00 ATOM 207 N TYR 46 1.134 34.591 27.426 1.00 0.00 ATOM 208 CA TYR 46 0.495 35.831 26.995 1.00 0.00 ATOM 209 CB TYR 46 0.890 36.985 27.918 1.00 0.00 ATOM 210 CG TYR 46 0.352 36.856 29.325 1.00 0.00 ATOM 211 CD1 TYR 46 1.096 36.230 30.317 1.00 0.00 ATOM 212 CD2 TYR 46 -0.899 37.360 29.658 1.00 0.00 ATOM 213 CE1 TYR 46 0.613 36.108 31.606 1.00 0.00 ATOM 214 CE2 TYR 46 -1.399 37.245 30.941 1.00 0.00 ATOM 215 CZ TYR 46 -0.631 36.613 31.917 1.00 0.00 ATOM 216 OH TYR 46 -1.115 36.491 33.199 1.00 0.00 ATOM 217 O TYR 46 2.120 36.220 25.272 1.00 0.00 ATOM 218 C TYR 46 0.924 36.175 25.575 1.00 0.00 ATOM 219 N ASN 47 -0.050 36.412 24.704 1.00 0.00 ATOM 220 CA ASN 47 0.244 36.756 23.320 1.00 0.00 ATOM 221 CB ASN 47 -0.906 36.330 22.406 1.00 0.00 ATOM 222 CG ASN 47 -1.046 34.824 22.307 1.00 0.00 ATOM 223 ND2 ASN 47 -2.253 34.362 22.005 1.00 0.00 ATOM 224 OD1 ASN 47 -0.078 34.089 22.498 1.00 0.00 ATOM 225 O ASN 47 1.024 38.727 22.190 1.00 0.00 ATOM 226 C ASN 47 0.444 38.259 23.172 1.00 0.00 ATOM 227 N ASP 48 -0.042 39.001 24.163 1.00 0.00 ATOM 228 CA ASP 48 0.060 40.458 24.189 1.00 0.00 ATOM 229 CB ASP 48 -1.230 41.094 23.667 1.00 0.00 ATOM 230 CG ASP 48 -2.418 40.825 24.569 1.00 0.00 ATOM 231 OD1 ASP 48 -2.893 39.669 24.598 1.00 0.00 ATOM 232 OD2 ASP 48 -2.876 41.769 25.246 1.00 0.00 ATOM 233 O ASP 48 -0.133 40.317 26.569 1.00 0.00 ATOM 234 C ASP 48 0.299 40.950 25.610 1.00 0.00 ATOM 235 N VAL 49 0.980 42.085 25.731 1.00 0.00 ATOM 236 CA VAL 49 1.253 42.684 27.035 1.00 0.00 ATOM 237 CB VAL 49 2.644 42.282 27.560 1.00 0.00 ATOM 238 CG1 VAL 49 2.921 42.949 28.899 1.00 0.00 ATOM 239 CG2 VAL 49 2.728 40.774 27.747 1.00 0.00 ATOM 240 O VAL 49 1.700 44.754 25.915 1.00 0.00 ATOM 241 C VAL 49 1.197 44.198 26.894 1.00 0.00 ATOM 242 N GLU 50 0.571 44.863 27.856 1.00 0.00 ATOM 243 CA GLU 50 0.460 46.312 27.804 1.00 0.00 ATOM 244 CB GLU 50 -0.973 46.751 28.109 1.00 0.00 ATOM 245 CG GLU 50 -1.193 48.253 28.030 1.00 0.00 ATOM 246 CD GLU 50 -2.623 48.650 28.333 1.00 0.00 ATOM 247 OE1 GLU 50 -3.441 47.750 28.622 1.00 0.00 ATOM 248 OE2 GLU 50 -2.928 49.859 28.284 1.00 0.00 ATOM 249 O GLU 50 1.312 46.656 30.007 1.00 0.00 ATOM 250 C GLU 50 1.382 46.960 28.819 1.00 0.00 ATOM 251 N LEU 51 2.255 47.842 28.344 1.00 0.00 ATOM 252 CA LEU 51 3.164 48.541 29.239 1.00 0.00 ATOM 253 CB LEU 51 4.537 48.707 28.586 1.00 0.00 ATOM 254 CG LEU 51 5.463 47.489 28.635 1.00 0.00 ATOM 255 CD1 LEU 51 4.781 46.271 28.031 1.00 0.00 ATOM 256 CD2 LEU 51 6.741 47.753 27.855 1.00 0.00 ATOM 257 O LEU 51 2.120 50.590 28.554 1.00 0.00 ATOM 258 C LEU 51 2.516 49.898 29.499 1.00 0.00 ATOM 259 N SER 52 2.375 50.263 30.771 1.00 0.00 ATOM 260 CA SER 52 1.753 51.542 31.135 1.00 0.00 ATOM 261 CB SER 52 0.409 51.305 31.827 1.00 0.00 ATOM 262 OG SER 52 -0.505 50.657 30.960 1.00 0.00 ATOM 263 O SER 52 3.434 51.720 32.823 1.00 0.00 ATOM 264 C SER 52 2.655 52.313 32.080 1.00 0.00 ATOM 265 N ALA 53 2.520 53.633 32.065 1.00 0.00 ATOM 266 CA ALA 53 3.320 54.485 32.930 1.00 0.00 ATOM 267 CB ALA 53 4.768 54.504 32.463 1.00 0.00 ATOM 268 O ALA 53 1.975 56.220 31.991 1.00 0.00 ATOM 269 C ALA 53 2.754 55.887 32.881 1.00 0.00 ATOM 270 N LEU 54 3.139 56.706 33.847 1.00 0.00 ATOM 271 CA LEU 54 2.658 58.075 33.900 1.00 0.00 ATOM 272 CB LEU 54 1.608 58.232 35.001 1.00 0.00 ATOM 273 CG LEU 54 2.034 57.815 36.409 1.00 0.00 ATOM 274 CD1 LEU 54 2.887 58.897 37.056 1.00 0.00 ATOM 275 CD2 LEU 54 0.819 57.577 37.293 1.00 0.00 ATOM 276 O LEU 54 4.871 58.552 34.692 1.00 0.00 ATOM 277 C LEU 54 3.828 58.991 34.190 1.00 0.00 ATOM 278 N GLY 55 3.652 60.262 33.855 1.00 0.00 ATOM 279 CA GLY 55 4.692 61.237 34.089 1.00 0.00 ATOM 280 O GLY 55 6.122 60.298 32.412 1.00 0.00 ATOM 281 C GLY 55 6.033 60.841 33.516 1.00 0.00 ATOM 282 N MET 56 7.077 61.113 34.289 1.00 0.00 ATOM 283 CA MET 56 8.453 60.838 33.903 1.00 0.00 ATOM 284 CB MET 56 9.420 61.320 34.986 1.00 0.00 ATOM 285 CG MET 56 9.489 62.831 35.128 1.00 0.00 ATOM 286 SD MET 56 10.046 63.646 33.619 1.00 0.00 ATOM 287 CE MET 56 11.737 63.064 33.522 1.00 0.00 ATOM 288 O MET 56 9.788 59.026 33.061 1.00 0.00 ATOM 289 C MET 56 8.773 59.366 33.676 1.00 0.00 ATOM 290 N ALA 57 7.899 58.496 34.159 1.00 0.00 ATOM 291 CA ALA 57 8.099 57.061 33.986 1.00 0.00 ATOM 292 CB ALA 57 7.170 56.281 34.902 1.00 0.00 ATOM 293 O ALA 57 8.195 55.615 32.069 1.00 0.00 ATOM 294 C ALA 57 7.803 56.681 32.531 1.00 0.00 ATOM 295 N ILE 58 7.116 57.565 31.812 1.00 0.00 ATOM 296 CA ILE 58 6.786 57.311 30.406 1.00 0.00 ATOM 297 CB ILE 58 6.118 58.537 29.753 1.00 0.00 ATOM 298 CG1 ILE 58 4.732 58.773 30.358 1.00 0.00 ATOM 299 CG2 ILE 58 5.961 58.323 28.255 1.00 0.00 ATOM 300 CD1 ILE 58 4.120 60.102 29.976 1.00 0.00 ATOM 301 O ILE 58 8.099 56.033 28.861 1.00 0.00 ATOM 302 C ILE 58 8.062 56.988 29.627 1.00 0.00 ATOM 303 N ALA 59 9.118 57.766 29.844 1.00 0.00 ATOM 304 CA ALA 59 10.392 57.515 29.178 1.00 0.00 ATOM 305 CB ALA 59 11.457 58.474 29.690 1.00 0.00 ATOM 306 O ALA 59 11.304 55.386 28.532 1.00 0.00 ATOM 307 C ALA 59 10.863 56.089 29.440 1.00 0.00 ATOM 308 N THR 60 10.790 55.660 30.692 1.00 0.00 ATOM 309 CA THR 60 11.227 54.310 31.025 1.00 0.00 ATOM 310 CB THR 60 11.152 54.052 32.541 1.00 0.00 ATOM 311 CG2 THR 60 11.576 52.626 32.860 1.00 0.00 ATOM 312 OG1 THR 60 12.024 54.958 33.228 1.00 0.00 ATOM 313 O THR 60 10.854 52.230 29.895 1.00 0.00 ATOM 314 C THR 60 10.357 53.263 30.337 1.00 0.00 ATOM 315 N VAL 61 9.060 53.534 30.241 1.00 0.00 ATOM 316 CA VAL 61 8.137 52.603 29.597 1.00 0.00 ATOM 317 CB VAL 61 6.704 53.165 29.560 1.00 0.00 ATOM 318 CG1 VAL 61 5.805 52.276 28.714 1.00 0.00 ATOM 319 CG2 VAL 61 6.123 53.237 30.963 1.00 0.00 ATOM 320 O VAL 61 8.549 51.183 27.711 1.00 0.00 ATOM 321 C VAL 61 8.570 52.329 28.163 1.00 0.00 ATOM 322 N VAL 62 8.929 53.388 27.438 1.00 0.00 ATOM 323 CA VAL 62 9.378 53.234 26.057 1.00 0.00 ATOM 324 CB VAL 62 9.639 54.599 25.392 1.00 0.00 ATOM 325 CG1 VAL 62 10.290 54.412 24.031 1.00 0.00 ATOM 326 CG2 VAL 62 8.332 55.354 25.201 1.00 0.00 ATOM 327 O VAL 62 10.880 51.608 25.120 1.00 0.00 ATOM 328 C VAL 62 10.683 52.424 26.016 1.00 0.00 ATOM 329 N THR 63 11.572 52.660 26.982 1.00 0.00 ATOM 330 CA THR 63 12.838 51.921 27.048 1.00 0.00 ATOM 331 CB THR 63 13.702 52.387 28.235 1.00 0.00 ATOM 332 CG2 THR 63 14.989 51.581 28.306 1.00 0.00 ATOM 333 OG1 THR 63 14.029 53.773 28.076 1.00 0.00 ATOM 334 O THR 63 13.126 49.591 26.555 1.00 0.00 ATOM 335 C THR 63 12.528 50.441 27.215 1.00 0.00 ATOM 336 N VAL 64 11.583 50.133 28.105 1.00 0.00 ATOM 337 CA VAL 64 11.217 48.749 28.339 1.00 0.00 ATOM 338 CB VAL 64 10.070 48.634 29.360 1.00 0.00 ATOM 339 CG1 VAL 64 9.571 47.199 29.441 1.00 0.00 ATOM 340 CG2 VAL 64 10.542 49.057 30.742 1.00 0.00 ATOM 341 O VAL 64 11.241 47.040 26.673 1.00 0.00 ATOM 342 C VAL 64 10.764 48.108 27.039 1.00 0.00 ATOM 343 N THR 65 9.847 48.769 26.344 1.00 0.00 ATOM 344 CA THR 65 9.323 48.252 25.086 1.00 0.00 ATOM 345 CB THR 65 8.308 49.224 24.456 1.00 0.00 ATOM 346 CG2 THR 65 7.805 48.680 23.127 1.00 0.00 ATOM 347 OG1 THR 65 7.192 49.393 25.339 1.00 0.00 ATOM 348 O THR 65 10.433 47.027 23.337 1.00 0.00 ATOM 349 C THR 65 10.432 48.026 24.060 1.00 0.00 ATOM 350 N GLU 66 11.368 48.966 23.986 1.00 0.00 ATOM 351 CA GLU 66 12.467 48.861 23.034 1.00 0.00 ATOM 352 CB GLU 66 13.272 50.161 22.998 1.00 0.00 ATOM 353 CG GLU 66 12.533 51.331 22.368 1.00 0.00 ATOM 354 CD GLU 66 13.310 52.629 22.461 1.00 0.00 ATOM 355 OE1 GLU 66 14.393 52.629 23.081 1.00 0.00 ATOM 356 OE2 GLU 66 12.834 53.646 21.912 1.00 0.00 ATOM 357 O GLU 66 13.876 47.013 22.492 1.00 0.00 ATOM 358 C GLU 66 13.436 47.739 23.376 1.00 0.00 ATOM 359 N ILE 67 13.778 47.608 24.656 1.00 0.00 ATOM 360 CA ILE 67 14.710 46.567 25.086 1.00 0.00 ATOM 361 CB ILE 67 15.011 46.666 26.592 1.00 0.00 ATOM 362 CG1 ILE 67 15.805 47.939 26.895 1.00 0.00 ATOM 363 CG2 ILE 67 15.828 45.468 27.053 1.00 0.00 ATOM 364 CD1 ILE 67 15.916 48.253 28.371 1.00 0.00 ATOM 365 O ILE 67 14.800 44.292 24.305 1.00 0.00 ATOM 366 C ILE 67 14.120 45.186 24.810 1.00 0.00 ATOM 367 N LEU 68 12.849 45.019 25.147 1.00 0.00 ATOM 368 CA LEU 68 12.167 43.748 24.937 1.00 0.00 ATOM 369 CB LEU 68 10.707 43.841 25.388 1.00 0.00 ATOM 370 CG LEU 68 10.468 43.950 26.895 1.00 0.00 ATOM 371 CD1 LEU 68 9.002 44.227 27.188 1.00 0.00 ATOM 372 CD2 LEU 68 10.856 42.657 27.594 1.00 0.00 ATOM 373 O LEU 68 12.575 42.202 23.157 1.00 0.00 ATOM 374 C LEU 68 12.163 43.318 23.479 1.00 0.00 ATOM 375 N LYS 69 11.718 44.213 22.600 1.00 0.00 ATOM 376 CA LYS 69 11.610 43.916 21.174 1.00 0.00 ATOM 377 CB LYS 69 10.655 44.901 20.492 1.00 0.00 ATOM 378 CG LYS 69 9.221 44.817 20.988 1.00 0.00 ATOM 379 CD LYS 69 8.585 43.487 20.617 1.00 0.00 ATOM 380 CE LYS 69 7.116 43.451 21.003 1.00 0.00 ATOM 381 NZ LYS 69 6.481 42.151 20.652 1.00 0.00 ATOM 382 O LYS 69 13.000 43.468 19.291 1.00 0.00 ATOM 383 C LYS 69 12.915 43.993 20.396 1.00 0.00 ATOM 384 N ASN 70 13.930 44.640 20.965 1.00 0.00 ATOM 385 CA ASN 70 15.207 44.775 20.280 1.00 0.00 ATOM 386 CB ASN 70 15.878 46.099 20.653 1.00 0.00 ATOM 387 CG ASN 70 15.176 47.299 20.048 1.00 0.00 ATOM 388 ND2 ASN 70 15.445 48.478 20.595 1.00 0.00 ATOM 389 OD1 ASN 70 14.401 47.164 19.101 1.00 0.00 ATOM 390 O ASN 70 16.748 43.054 19.673 1.00 0.00 ATOM 391 C ASN 70 16.230 43.685 20.591 1.00 0.00 ATOM 392 N ASN 71 16.524 43.450 21.867 1.00 0.00 ATOM 393 CA ASN 71 17.519 42.434 22.197 1.00 0.00 ATOM 394 CB ASN 71 18.584 43.012 23.131 1.00 0.00 ATOM 395 CG ASN 71 19.374 44.136 22.491 1.00 0.00 ATOM 396 ND2 ASN 71 19.172 45.353 22.982 1.00 0.00 ATOM 397 OD1 ASN 71 20.155 43.910 21.566 1.00 0.00 ATOM 398 O ASN 71 17.829 40.224 23.034 1.00 0.00 ATOM 399 C ASN 71 17.047 41.166 22.901 1.00 0.00 ATOM 400 N GLY 72 15.796 41.123 23.352 1.00 0.00 ATOM 401 CA GLY 72 15.309 39.923 24.026 1.00 0.00 ATOM 402 O GLY 72 14.273 37.906 23.298 1.00 0.00 ATOM 403 C GLY 72 14.289 39.133 23.238 1.00 0.00 ATOM 404 N PHE 73 13.437 39.821 22.494 1.00 0.00 ATOM 405 CA PHE 73 12.420 39.117 21.744 1.00 0.00 ATOM 406 CB PHE 73 11.092 39.120 22.504 1.00 0.00 ATOM 407 CG PHE 73 11.181 38.524 23.880 1.00 0.00 ATOM 408 CD1 PHE 73 11.332 39.333 24.994 1.00 0.00 ATOM 409 CD2 PHE 73 11.114 37.153 24.061 1.00 0.00 ATOM 410 CE1 PHE 73 11.413 38.783 26.258 1.00 0.00 ATOM 411 CE2 PHE 73 11.195 36.604 25.326 1.00 0.00 ATOM 412 CZ PHE 73 11.344 37.412 26.422 1.00 0.00 ATOM 413 O PHE 73 11.024 40.174 20.115 1.00 0.00 ATOM 414 C PHE 73 12.129 39.704 20.376 1.00 0.00 ATOM 415 N ALA 74 5.031 46.343 18.077 1.00 0.00 ATOM 416 CA ALA 74 4.320 47.373 18.824 1.00 0.00 ATOM 417 CB ALA 74 5.071 48.693 18.754 1.00 0.00 ATOM 418 O ALA 74 2.857 47.958 17.015 1.00 0.00 ATOM 419 C ALA 74 2.967 47.456 18.134 1.00 0.00 ATOM 420 N VAL 75 1.945 46.949 18.809 1.00 0.00 ATOM 421 CA VAL 75 0.584 46.890 18.279 1.00 0.00 ATOM 422 CB VAL 75 -0.285 45.891 19.066 1.00 0.00 ATOM 423 CG1 VAL 75 -1.727 45.946 18.586 1.00 0.00 ATOM 424 CG2 VAL 75 0.229 44.473 18.877 1.00 0.00 ATOM 425 O VAL 75 -0.945 48.529 17.413 1.00 0.00 ATOM 426 C VAL 75 -0.176 48.215 18.318 1.00 0.00 ATOM 427 N GLU 76 0.022 48.982 19.381 1.00 0.00 ATOM 428 CA GLU 76 -0.658 50.256 19.519 1.00 0.00 ATOM 429 CB GLU 76 -2.139 50.043 19.831 1.00 0.00 ATOM 430 CG GLU 76 -2.931 51.329 19.996 1.00 0.00 ATOM 431 CD GLU 76 -4.407 51.079 20.233 1.00 0.00 ATOM 432 OE1 GLU 76 -4.796 49.900 20.371 1.00 0.00 ATOM 433 OE2 GLU 76 -5.176 52.062 20.283 1.00 0.00 ATOM 434 O GLU 76 0.468 50.513 21.610 1.00 0.00 ATOM 435 C GLU 76 -0.042 51.070 20.646 1.00 0.00 ATOM 436 N LYS 77 -0.074 52.390 20.508 1.00 0.00 ATOM 437 CA LYS 77 0.448 53.273 21.545 1.00 0.00 ATOM 438 CB LYS 77 1.742 53.942 21.079 1.00 0.00 ATOM 439 CG LYS 77 2.895 52.977 20.858 1.00 0.00 ATOM 440 CD LYS 77 4.157 53.712 20.435 1.00 0.00 ATOM 441 CE LYS 77 5.286 52.740 20.133 1.00 0.00 ATOM 442 NZ LYS 77 6.528 53.446 19.711 1.00 0.00 ATOM 443 O LYS 77 -1.186 54.849 20.835 1.00 0.00 ATOM 444 C LYS 77 -0.640 54.298 21.780 1.00 0.00 ATOM 445 N LYS 78 -0.961 54.546 23.040 1.00 0.00 ATOM 446 CA LYS 78 -2.003 55.512 23.359 1.00 0.00 ATOM 447 CB LYS 78 -3.268 54.799 23.840 1.00 0.00 ATOM 448 CG LYS 78 -4.449 55.725 24.080 1.00 0.00 ATOM 449 CD LYS 78 -5.690 54.943 24.483 1.00 0.00 ATOM 450 CE LYS 78 -6.871 55.869 24.720 1.00 0.00 ATOM 451 NZ LYS 78 -8.113 55.113 25.040 1.00 0.00 ATOM 452 O LYS 78 -0.916 55.973 25.424 1.00 0.00 ATOM 453 C LYS 78 -1.503 56.435 24.457 1.00 0.00 ATOM 454 N ILE 79 -1.705 57.737 24.296 1.00 0.00 ATOM 455 CA ILE 79 -1.303 58.682 25.326 1.00 0.00 ATOM 456 CB ILE 79 -0.314 59.729 24.777 1.00 0.00 ATOM 457 CG1 ILE 79 -0.955 60.519 23.634 1.00 0.00 ATOM 458 CG2 ILE 79 0.941 59.052 24.251 1.00 0.00 ATOM 459 CD1 ILE 79 -0.131 61.700 23.170 1.00 0.00 ATOM 460 O ILE 79 -3.554 59.453 25.051 1.00 0.00 ATOM 461 C ILE 79 -2.574 59.359 25.795 1.00 0.00 ATOM 462 N MET 80 -2.552 59.825 27.037 1.00 0.00 ATOM 463 CA MET 80 -3.708 60.491 27.610 1.00 0.00 ATOM 464 CB MET 80 -4.742 59.465 28.077 1.00 0.00 ATOM 465 CG MET 80 -4.234 58.520 29.155 1.00 0.00 ATOM 466 SD MET 80 -5.394 57.188 29.514 1.00 0.00 ATOM 467 CE MET 80 -5.085 56.087 28.135 1.00 0.00 ATOM 468 O MET 80 -2.073 61.531 29.024 1.00 0.00 ATOM 469 C MET 80 -3.262 61.326 28.797 1.00 0.00 ATOM 470 N THR 81 -4.236 61.808 29.552 1.00 0.00 ATOM 471 CA THR 81 -3.974 62.600 30.729 1.00 0.00 ATOM 472 CB THR 81 -4.256 64.094 30.478 1.00 0.00 ATOM 473 CG2 THR 81 -3.940 64.912 31.720 1.00 0.00 ATOM 474 OG1 THR 81 -3.441 64.561 29.395 1.00 0.00 ATOM 475 O THR 81 -6.081 61.881 31.617 1.00 0.00 ATOM 476 C THR 81 -4.886 62.088 31.832 1.00 0.00 ATOM 477 N SER 82 -4.314 61.859 33.004 1.00 0.00 ATOM 478 CA SER 82 -5.079 61.384 34.145 1.00 0.00 ATOM 479 CB SER 82 -4.439 60.124 34.732 1.00 0.00 ATOM 480 OG SER 82 -5.113 59.709 35.907 1.00 0.00 ATOM 481 O SER 82 -4.077 63.096 35.483 1.00 0.00 ATOM 482 C SER 82 -5.104 62.478 35.205 1.00 0.00 ATOM 483 N ILE 83 -6.286 62.728 35.763 1.00 0.00 ATOM 484 CA ILE 83 -6.456 63.725 36.811 1.00 0.00 ATOM 485 CB ILE 83 -7.857 64.363 36.761 1.00 0.00 ATOM 486 CG1 ILE 83 -8.071 65.077 35.426 1.00 0.00 ATOM 487 CG2 ILE 83 -8.019 65.378 37.882 1.00 0.00 ATOM 488 CD1 ILE 83 -9.494 65.538 35.201 1.00 0.00 ATOM 489 O ILE 83 -7.027 62.074 38.454 1.00 0.00 ATOM 490 C ILE 83 -6.255 62.970 38.119 1.00 0.00 ATOM 491 N VAL 84 -5.206 63.317 38.848 1.00 0.00 ATOM 492 CA VAL 84 -4.902 62.638 40.098 1.00 0.00 ATOM 493 CB VAL 84 -3.435 62.849 40.513 1.00 0.00 ATOM 494 CG1 VAL 84 -2.495 62.312 39.444 1.00 0.00 ATOM 495 CG2 VAL 84 -3.144 64.329 40.708 1.00 0.00 ATOM 496 O VAL 84 -6.342 64.219 41.164 1.00 0.00 ATOM 497 C VAL 84 -5.767 63.138 41.239 1.00 0.00 ATOM 498 N ASP 85 -5.848 62.342 42.301 1.00 0.00 ATOM 499 CA ASP 85 -6.638 62.718 43.465 1.00 0.00 ATOM 500 CB ASP 85 -6.552 61.636 44.543 1.00 0.00 ATOM 501 CG ASP 85 -7.340 60.391 44.184 1.00 0.00 ATOM 502 OD1 ASP 85 -8.106 60.437 43.199 1.00 0.00 ATOM 503 OD2 ASP 85 -7.190 59.370 44.887 1.00 0.00 ATOM 504 O ASP 85 -4.845 64.223 43.970 1.00 0.00 ATOM 505 C ASP 85 -6.058 64.030 43.983 1.00 0.00 ATOM 506 N ILE 86 -6.923 64.933 44.431 1.00 0.00 ATOM 507 CA ILE 86 -6.468 66.225 44.913 1.00 0.00 ATOM 508 CB ILE 86 -7.651 67.112 45.351 1.00 0.00 ATOM 509 CG1 ILE 86 -8.425 66.443 46.489 1.00 0.00 ATOM 510 CG2 ILE 86 -8.604 67.341 44.188 1.00 0.00 ATOM 511 CD1 ILE 86 -9.488 67.326 47.105 1.00 0.00 ATOM 512 O ILE 86 -5.627 65.181 46.911 1.00 0.00 ATOM 513 C ILE 86 -5.539 66.117 46.112 1.00 0.00 ATOM 514 N LYS 87 -4.642 67.088 46.216 1.00 0.00 ATOM 515 CA LYS 87 -3.687 67.171 47.309 1.00 0.00 ATOM 516 CB LYS 87 -2.317 66.656 46.863 1.00 0.00 ATOM 517 CG LYS 87 -1.288 66.585 47.980 1.00 0.00 ATOM 518 CD LYS 87 0.019 65.984 47.488 1.00 0.00 ATOM 519 CE LYS 87 1.079 66.001 48.577 1.00 0.00 ATOM 520 NZ LYS 87 2.350 65.372 48.125 1.00 0.00 ATOM 521 O LYS 87 -3.416 69.498 46.808 1.00 0.00 ATOM 522 C LYS 87 -3.628 68.647 47.671 1.00 0.00 ATOM 523 N ASP 88 -3.825 68.946 48.949 1.00 0.00 ATOM 524 CA ASP 88 -3.826 70.324 49.421 1.00 0.00 ATOM 525 CB ASP 88 -2.423 70.926 49.321 1.00 0.00 ATOM 526 CG ASP 88 -1.422 70.220 50.214 1.00 0.00 ATOM 527 OD1 ASP 88 -1.727 70.023 51.409 1.00 0.00 ATOM 528 OD2 ASP 88 -0.332 69.863 49.720 1.00 0.00 ATOM 529 O ASP 88 -4.515 72.354 48.311 1.00 0.00 ATOM 530 C ASP 88 -4.780 71.181 48.581 1.00 0.00 ATOM 534 N GLY 92 -5.887 70.576 48.162 1.00 0.00 ATOM 535 CA GLY 92 -6.889 71.296 47.394 1.00 0.00 ATOM 536 O GLY 92 -7.132 72.531 45.366 1.00 0.00 ATOM 537 C GLY 92 -6.631 71.553 45.917 1.00 0.00 ATOM 538 N ARG 93 -5.869 70.684 45.269 1.00 0.00 ATOM 539 CA ARG 93 -5.576 70.849 43.845 1.00 0.00 ATOM 540 CB ARG 93 -4.284 71.646 43.653 1.00 0.00 ATOM 541 CG ARG 93 -3.973 71.983 42.204 1.00 0.00 ATOM 542 CD ARG 93 -2.737 72.862 42.095 1.00 0.00 ATOM 543 NE ARG 93 -2.405 73.169 40.707 1.00 0.00 ATOM 544 CZ ARG 93 -1.450 74.016 40.336 1.00 0.00 ATOM 545 NH1 ARG 93 -1.220 74.233 39.048 1.00 0.00 ATOM 546 NH2 ARG 93 -0.729 74.644 41.253 1.00 0.00 ATOM 547 O ARG 93 -4.610 68.672 43.642 1.00 0.00 ATOM 548 C ARG 93 -5.410 69.487 43.186 1.00 0.00 ATOM 549 N PRO 94 -6.181 69.235 42.130 1.00 0.00 ATOM 550 CA PRO 94 -6.086 67.976 41.392 1.00 0.00 ATOM 551 CB PRO 94 -7.515 67.724 40.906 1.00 0.00 ATOM 552 CG PRO 94 -8.103 69.087 40.754 1.00 0.00 ATOM 553 CD PRO 94 -7.412 69.955 41.768 1.00 0.00 ATOM 554 O PRO 94 -5.357 68.967 39.341 1.00 0.00 ATOM 555 C PRO 94 -5.098 68.192 40.254 1.00 0.00 ATOM 556 N VAL 95 -3.969 67.504 40.310 1.00 0.00 ATOM 557 CA VAL 95 -2.940 67.655 39.288 1.00 0.00 ATOM 558 CB VAL 95 -1.536 67.384 39.858 1.00 0.00 ATOM 559 CG1 VAL 95 -0.494 67.424 38.750 1.00 0.00 ATOM 560 CG2 VAL 95 -1.171 68.430 40.898 1.00 0.00 ATOM 561 O VAL 95 -3.623 65.587 38.290 1.00 0.00 ATOM 562 C VAL 95 -3.135 66.699 38.118 1.00 0.00 ATOM 563 N GLN 96 -2.749 67.150 36.931 1.00 0.00 ATOM 564 CA GLN 96 -2.855 66.342 35.723 1.00 0.00 ATOM 565 CB GLN 96 -3.299 67.206 34.540 1.00 0.00 ATOM 566 CG GLN 96 -4.662 67.853 34.721 1.00 0.00 ATOM 567 CD GLN 96 -5.070 68.694 33.527 1.00 0.00 ATOM 568 OE1 GLN 96 -4.416 68.668 32.485 1.00 0.00 ATOM 569 NE2 GLN 96 -6.157 69.443 33.677 1.00 0.00 ATOM 570 O GLN 96 -0.473 66.407 35.523 1.00 0.00 ATOM 571 C GLN 96 -1.500 65.735 35.421 1.00 0.00 ATOM 572 N LYS 97 -1.506 64.462 35.042 1.00 0.00 ATOM 573 CA LYS 97 -0.282 63.751 34.709 1.00 0.00 ATOM 574 CB LYS 97 0.065 62.742 35.805 1.00 0.00 ATOM 575 CG LYS 97 0.417 63.375 37.142 1.00 0.00 ATOM 576 CD LYS 97 0.795 62.320 38.169 1.00 0.00 ATOM 577 CE LYS 97 1.077 62.947 39.525 1.00 0.00 ATOM 578 NZ LYS 97 1.446 61.924 40.544 1.00 0.00 ATOM 579 O LYS 97 -1.620 62.543 33.132 1.00 0.00 ATOM 580 C LYS 97 -0.512 63.025 33.393 1.00 0.00 ATOM 581 N ALA 98 0.528 62.968 32.569 1.00 0.00 ATOM 582 CA ALA 98 0.452 62.301 31.277 1.00 0.00 ATOM 583 CB ALA 98 1.560 62.796 30.360 1.00 0.00 ATOM 584 O ALA 98 1.245 60.363 32.435 1.00 0.00 ATOM 585 C ALA 98 0.603 60.805 31.481 1.00 0.00 ATOM 586 N LYS 99 0.014 60.033 30.578 1.00 0.00 ATOM 587 CA LYS 99 0.107 58.585 30.649 1.00 0.00 ATOM 588 CB LYS 99 -1.195 57.991 31.187 1.00 0.00 ATOM 589 CG LYS 99 -1.175 56.477 31.327 1.00 0.00 ATOM 590 CD LYS 99 -2.460 55.963 31.957 1.00 0.00 ATOM 591 CE LYS 99 -2.398 54.463 32.192 1.00 0.00 ATOM 592 NZ LYS 99 -3.677 53.934 32.739 1.00 0.00 ATOM 593 O LYS 99 0.026 58.640 28.262 1.00 0.00 ATOM 594 C LYS 99 0.368 58.023 29.268 1.00 0.00 ATOM 595 N ILE 100 0.984 56.852 29.220 1.00 0.00 ATOM 596 CA ILE 100 1.214 56.194 27.942 1.00 0.00 ATOM 597 CB ILE 100 2.681 56.336 27.492 1.00 0.00 ATOM 598 CG1 ILE 100 2.852 55.807 26.065 1.00 0.00 ATOM 599 CG2 ILE 100 3.599 55.547 28.412 1.00 0.00 ATOM 600 CD1 ILE 100 4.178 56.179 25.434 1.00 0.00 ATOM 601 O ILE 100 1.025 54.200 29.242 1.00 0.00 ATOM 602 C ILE 100 0.874 54.723 28.138 1.00 0.00 ATOM 603 N GLU 101 0.380 54.077 27.077 1.00 0.00 ATOM 604 CA GLU 101 0.069 52.656 27.102 1.00 0.00 ATOM 605 CB GLU 101 -1.445 52.439 27.115 1.00 0.00 ATOM 606 CG GLU 101 -2.134 52.941 28.374 1.00 0.00 ATOM 607 CD GLU 101 -3.627 52.678 28.365 1.00 0.00 ATOM 608 OE1 GLU 101 -4.120 52.084 27.383 1.00 0.00 ATOM 609 OE2 GLU 101 -4.304 53.066 29.340 1.00 0.00 ATOM 610 O GLU 101 0.442 52.633 24.750 1.00 0.00 ATOM 611 C GLU 101 0.699 52.109 25.836 1.00 0.00 ATOM 612 N ILE 102 1.531 51.079 25.969 1.00 0.00 ATOM 613 CA ILE 102 2.182 50.486 24.810 1.00 0.00 ATOM 614 CB ILE 102 3.715 50.617 24.894 1.00 0.00 ATOM 615 CG1 ILE 102 4.122 52.090 24.955 1.00 0.00 ATOM 616 CG2 ILE 102 4.372 49.983 23.677 1.00 0.00 ATOM 617 CD1 ILE 102 5.592 52.306 25.238 1.00 0.00 ATOM 618 O ILE 102 2.161 48.258 25.640 1.00 0.00 ATOM 619 C ILE 102 1.823 49.016 24.740 1.00 0.00 ATOM 620 N THR 103 1.132 48.611 23.680 1.00 0.00 ATOM 621 CA THR 103 0.762 47.215 23.548 1.00 0.00 ATOM 622 CB THR 103 -0.619 47.059 22.883 1.00 0.00 ATOM 623 CG2 THR 103 -0.978 45.587 22.739 1.00 0.00 ATOM 624 OG1 THR 103 -1.614 47.702 23.687 1.00 0.00 ATOM 625 O THR 103 2.046 46.845 21.539 1.00 0.00 ATOM 626 C THR 103 1.785 46.472 22.689 1.00 0.00 ATOM 627 N LEU 104 2.385 45.436 23.269 1.00 0.00 ATOM 628 CA LEU 104 3.373 44.623 22.571 1.00 0.00 ATOM 629 CB LEU 104 4.576 44.347 23.475 1.00 0.00 ATOM 630 CG LEU 104 5.355 45.571 23.959 1.00 0.00 ATOM 631 CD1 LEU 104 6.468 45.158 24.912 1.00 0.00 ATOM 632 CD2 LEU 104 5.984 46.306 22.786 1.00 0.00 ATOM 633 O LEU 104 1.977 42.729 22.998 1.00 0.00 ATOM 634 C LEU 104 2.693 43.316 22.190 1.00 0.00 ATOM 635 N VAL 105 2.912 42.865 20.959 1.00 0.00 ATOM 636 CA VAL 105 2.286 41.639 20.489 1.00 0.00 ATOM 637 CB VAL 105 1.255 41.918 19.380 1.00 0.00 ATOM 638 CG1 VAL 105 0.397 40.688 19.126 1.00 0.00 ATOM 639 CG2 VAL 105 0.341 43.068 19.780 1.00 0.00 ATOM 640 O VAL 105 4.268 41.074 19.264 1.00 0.00 ATOM 641 C VAL 105 3.304 40.665 19.918 1.00 0.00 TER END