PFRMAT TS TARGET T0207 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 METHOD Undertaker was used with many parents to create try12-opt2.pdb. METHOD The buried saltbrdige was requested to satisfy the buried D53. REMARK 6 REMARK 6 T0207 model 1 Sun Jun 20 18:48:55 2004 MODEL 1 PARENT 1h75_A 1ego 1egr 2trx_A 1nw2_A REMARK 7 REMARK 7 ALLPARENTS 1h75_A 1ego 1egr 2trx_A 1nw2_A 1thx 1fo5_A REMARK 7 ALLPARENTS 1kte 3grx 1keb_A 1ilo_A 1j08_A 1a8l 1grx 1fb6_A REMARK 7 ALLPARENTS 1qfn_A 1r26_A 1aba 1hyu_A ATOM 1 N MET 1 7.893 117.510 52.150 1.00 0.00 ATOM 2 CA MET 1 7.642 118.605 51.227 1.00 0.00 ATOM 3 CB MET 1 8.915 118.901 50.390 1.00 0.00 ATOM 4 CG MET 1 10.175 119.093 51.216 1.00 0.00 ATOM 5 SD MET 1 10.090 120.557 52.250 1.00 0.00 ATOM 6 CE MET 1 11.773 120.802 52.674 1.00 0.00 ATOM 7 O MET 1 6.111 117.221 50.034 1.00 0.00 ATOM 8 C MET 1 6.377 118.354 50.428 1.00 0.00 ATOM 9 N ALA 2 5.483 119.312 50.421 1.00 0.00 ATOM 10 CA ALA 2 4.234 119.223 49.652 1.00 0.00 ATOM 11 CB ALA 2 3.027 119.450 50.535 1.00 0.00 ATOM 12 O ALA 2 4.892 121.418 48.902 1.00 0.00 ATOM 13 C ALA 2 4.404 120.344 48.571 1.00 0.00 ATOM 14 N LEU 3 4.612 119.871 47.331 1.00 0.00 ATOM 15 CA LEU 3 4.888 120.717 46.197 1.00 0.00 ATOM 16 CB LEU 3 6.223 120.346 45.455 1.00 0.00 ATOM 17 CG LEU 3 7.449 120.686 46.319 1.00 0.00 ATOM 18 CD1 LEU 3 7.773 119.515 47.221 1.00 0.00 ATOM 19 CD2 LEU 3 8.648 121.056 45.474 1.00 0.00 ATOM 20 O LEU 3 3.018 119.755 45.036 1.00 0.00 ATOM 21 C LEU 3 3.675 120.763 45.205 1.00 0.00 ATOM 22 N THR 4 3.285 121.931 44.825 1.00 0.00 ATOM 23 CA THR 4 2.199 122.144 43.850 1.00 0.00 ATOM 24 CB THR 4 1.251 123.256 44.352 1.00 0.00 ATOM 25 CG2 THR 4 0.134 123.513 43.324 1.00 0.00 ATOM 26 OG1 THR 4 0.669 122.860 45.599 1.00 0.00 ATOM 27 O THR 4 3.427 123.494 42.319 1.00 0.00 ATOM 28 C THR 4 2.890 122.409 42.542 1.00 0.00 ATOM 29 N LEU 5 2.724 121.538 41.523 1.00 0.00 ATOM 30 CA LEU 5 3.332 121.741 40.218 1.00 0.00 ATOM 31 CB LEU 5 3.863 120.377 39.717 1.00 0.00 ATOM 32 CG LEU 5 4.533 120.523 38.313 1.00 0.00 ATOM 33 CD1 LEU 5 5.844 121.267 38.463 1.00 0.00 ATOM 34 CD2 LEU 5 4.769 119.097 37.768 1.00 0.00 ATOM 35 O LEU 5 1.213 121.521 39.118 1.00 0.00 ATOM 36 C LEU 5 2.249 122.216 39.239 1.00 0.00 ATOM 37 N TYR 6 2.570 123.159 38.388 1.00 0.00 ATOM 38 CA TYR 6 1.705 123.640 37.316 1.00 0.00 ATOM 39 CB TYR 6 1.308 125.086 37.564 1.00 0.00 ATOM 40 CG TYR 6 0.581 125.303 38.872 1.00 0.00 ATOM 41 CD1 TYR 6 1.262 125.736 40.016 1.00 0.00 ATOM 42 CD2 TYR 6 -0.790 125.120 38.956 1.00 0.00 ATOM 43 CE1 TYR 6 0.584 125.986 41.207 1.00 0.00 ATOM 44 CE2 TYR 6 -1.474 125.361 40.131 1.00 0.00 ATOM 45 CZ TYR 6 -0.791 125.796 41.251 1.00 0.00 ATOM 46 OH TYR 6 -1.514 126.065 42.393 1.00 0.00 ATOM 47 O TYR 6 3.516 124.059 35.797 1.00 0.00 ATOM 48 C TYR 6 2.521 123.384 36.045 1.00 0.00 ATOM 49 N GLN 7 2.059 122.456 35.207 1.00 0.00 ATOM 50 CA GLN 7 2.860 122.025 34.083 1.00 0.00 ATOM 51 CB GLN 7 3.155 120.508 34.370 1.00 0.00 ATOM 52 CG GLN 7 4.111 119.799 33.388 1.00 0.00 ATOM 53 CD GLN 7 4.407 118.355 33.800 1.00 0.00 ATOM 54 OE1 GLN 7 3.478 117.581 33.972 1.00 0.00 ATOM 55 NE2 GLN 7 5.682 118.114 34.031 1.00 0.00 ATOM 56 O GLN 7 0.898 121.888 32.670 1.00 0.00 ATOM 57 C GLN 7 2.131 121.832 32.739 1.00 0.00 ATOM 58 N ARG 8 3.028 121.586 31.689 1.00 0.00 ATOM 59 CA ARG 8 2.514 121.349 30.336 1.00 0.00 ATOM 60 CB ARG 8 2.593 122.597 29.475 1.00 0.00 ATOM 61 CG ARG 8 3.995 123.161 29.211 1.00 0.00 ATOM 62 CD ARG 8 3.938 124.202 28.120 1.00 0.00 ATOM 63 NE ARG 8 5.160 124.855 27.696 1.00 0.00 ATOM 64 CZ ARG 8 6.036 124.359 26.828 1.00 0.00 ATOM 65 NH1 ARG 8 5.878 123.153 26.319 1.00 0.00 ATOM 66 NH2 ARG 8 7.100 125.054 26.451 1.00 0.00 ATOM 67 O ARG 8 4.568 120.175 29.960 1.00 0.00 ATOM 68 C ARG 8 3.370 120.250 29.698 1.00 0.00 ATOM 69 N ASP 9 2.797 119.466 28.780 1.00 0.00 ATOM 70 CA ASP 9 3.572 118.414 28.121 1.00 0.00 ATOM 71 CB ASP 9 2.652 117.440 27.393 1.00 0.00 ATOM 72 CG ASP 9 1.678 118.137 26.434 1.00 0.00 ATOM 73 OD1 ASP 9 2.049 119.176 25.828 1.00 0.00 ATOM 74 OD2 ASP 9 0.534 117.634 26.285 1.00 0.00 ATOM 75 O ASP 9 4.479 120.307 27.028 1.00 0.00 ATOM 76 C ASP 9 4.515 119.088 27.127 1.00 0.00 ATOM 77 N ASP 10 5.613 118.423 26.790 1.00 0.00 ATOM 78 CA ASP 10 6.573 118.985 25.841 1.00 0.00 ATOM 79 CB ASP 10 5.886 119.267 24.488 1.00 0.00 ATOM 80 CG ASP 10 6.874 119.559 23.362 1.00 0.00 ATOM 81 OD1 ASP 10 7.979 118.968 23.371 1.00 0.00 ATOM 82 OD2 ASP 10 6.555 120.367 22.467 1.00 0.00 ATOM 83 O ASP 10 7.397 121.221 25.641 1.00 0.00 ATOM 84 C ASP 10 7.239 120.250 26.387 1.00 0.00 ATOM 85 N CYS 11 7.224 120.389 27.710 1.00 0.00 ATOM 86 CA CYS 11 7.823 121.543 28.375 1.00 0.00 ATOM 87 CB CYS 11 6.904 121.964 29.517 1.00 0.00 ATOM 88 SG CYS 11 7.611 123.202 30.669 1.00 0.00 ATOM 89 O CYS 11 9.030 120.419 30.136 1.00 0.00 ATOM 90 C CYS 11 9.094 121.036 29.066 1.00 0.00 ATOM 91 N HIS 12 10.250 121.408 28.527 1.00 0.00 ATOM 92 CA HIS 12 11.531 120.956 29.071 1.00 0.00 ATOM 93 CB HIS 12 12.336 121.311 27.487 1.00 0.00 ATOM 94 CG HIS 12 12.636 122.773 27.281 1.00 0.00 ATOM 95 CD2 HIS 12 13.617 123.539 27.784 1.00 0.00 ATOM 96 ND1 HIS 12 11.832 123.613 26.548 1.00 0.00 ATOM 97 CE1 HIS 12 12.309 124.849 26.610 1.00 0.00 ATOM 98 NE2 HIS 12 13.402 124.818 27.371 1.00 0.00 ATOM 99 O HIS 12 12.246 120.666 31.348 1.00 0.00 ATOM 100 C HIS 12 11.802 121.446 30.494 1.00 0.00 ATOM 101 N LEU 13 11.507 122.715 30.760 1.00 0.00 ATOM 102 CA LEU 13 11.733 123.252 32.104 1.00 0.00 ATOM 103 CB LEU 13 11.519 124.758 32.193 1.00 0.00 ATOM 104 CG LEU 13 12.252 125.575 31.109 1.00 0.00 ATOM 105 CD1 LEU 13 12.132 127.056 31.319 1.00 0.00 ATOM 106 CD2 LEU 13 13.719 125.214 31.018 1.00 0.00 ATOM 107 O LEU 13 11.266 122.320 34.262 1.00 0.00 ATOM 108 C LEU 13 10.826 122.598 33.133 1.00 0.00 ATOM 109 N CYS 14 9.657 122.145 32.687 1.00 0.00 ATOM 110 CA CYS 14 8.720 121.472 33.573 1.00 0.00 ATOM 111 CB CYS 14 7.390 121.255 32.880 1.00 0.00 ATOM 112 SG CYS 14 6.525 122.762 32.349 1.00 0.00 ATOM 113 O CYS 14 9.304 119.718 35.125 1.00 0.00 ATOM 114 C CYS 14 9.291 120.107 33.953 1.00 0.00 ATOM 115 N ASP 15 9.776 119.382 32.948 1.00 0.00 ATOM 116 CA ASP 15 10.357 118.062 33.186 1.00 0.00 ATOM 117 CB ASP 15 10.688 117.375 31.870 1.00 0.00 ATOM 118 CG ASP 15 9.503 116.916 31.055 1.00 0.00 ATOM 119 OD1 ASP 15 8.371 116.757 31.556 1.00 0.00 ATOM 120 OD2 ASP 15 9.682 116.687 29.828 1.00 0.00 ATOM 121 O ASP 15 11.852 117.295 34.907 1.00 0.00 ATOM 122 C ASP 15 11.591 118.182 34.078 1.00 0.00 ATOM 123 N GLN 16 12.425 119.191 33.822 1.00 0.00 ATOM 124 CA GLN 16 13.627 119.391 34.631 1.00 0.00 ATOM 125 CB GLN 16 14.412 120.613 34.167 1.00 0.00 ATOM 126 CG GLN 16 15.735 120.847 34.886 1.00 0.00 ATOM 127 CD GLN 16 16.787 119.797 34.605 1.00 0.00 ATOM 128 OE1 GLN 16 17.509 119.833 33.601 1.00 0.00 ATOM 129 NE2 GLN 16 16.944 118.808 35.485 1.00 0.00 ATOM 130 O GLN 16 13.922 119.149 37.022 1.00 0.00 ATOM 131 C GLN 16 13.232 119.597 36.097 1.00 0.00 ATOM 132 N ALA 17 12.168 120.369 36.301 1.00 0.00 ATOM 133 CA ALA 17 11.710 120.637 37.663 1.00 0.00 ATOM 134 CB ALA 17 10.561 121.607 37.646 1.00 0.00 ATOM 135 O ALA 17 11.627 119.227 39.573 1.00 0.00 ATOM 136 C ALA 17 11.303 119.373 38.398 1.00 0.00 ATOM 137 N VAL 18 10.603 118.472 37.711 1.00 0.00 ATOM 138 CA VAL 18 10.185 117.218 38.355 1.00 0.00 ATOM 139 CB VAL 18 9.283 116.386 37.469 1.00 0.00 ATOM 140 CG1 VAL 18 9.031 115.014 38.108 1.00 0.00 ATOM 141 CG2 VAL 18 7.966 117.130 37.217 1.00 0.00 ATOM 142 O VAL 18 11.483 115.930 39.877 1.00 0.00 ATOM 143 C VAL 18 11.389 116.381 38.732 1.00 0.00 ATOM 144 N GLU 19 12.362 116.281 37.840 1.00 0.00 ATOM 145 CA GLU 19 13.544 115.484 38.161 1.00 0.00 ATOM 146 CB GLU 19 14.396 115.216 36.902 1.00 0.00 ATOM 147 CG GLU 19 13.796 114.187 35.941 1.00 0.00 ATOM 148 CD GLU 19 13.180 113.000 36.674 1.00 0.00 ATOM 149 OE1 GLU 19 14.009 112.468 37.449 1.00 0.00 ATOM 150 OE2 GLU 19 11.976 112.720 36.478 1.00 0.00 ATOM 151 O GLU 19 14.918 115.459 40.152 1.00 0.00 ATOM 152 C GLU 19 14.389 116.139 39.256 1.00 0.00 ATOM 153 N ALA 20 14.467 117.468 39.204 1.00 0.00 ATOM 154 CA ALA 20 15.217 118.226 40.206 1.00 0.00 ATOM 155 CB ALA 20 15.248 119.702 39.843 1.00 0.00 ATOM 156 O ALA 20 15.293 117.773 42.573 1.00 0.00 ATOM 157 C ALA 20 14.588 118.048 41.582 1.00 0.00 ATOM 158 N LEU 21 13.260 118.070 41.630 1.00 0.00 ATOM 159 CA LEU 21 12.585 117.894 42.912 1.00 0.00 ATOM 160 CB LEU 21 11.098 118.163 42.798 1.00 0.00 ATOM 161 CG LEU 21 10.318 118.010 44.103 1.00 0.00 ATOM 162 CD1 LEU 21 10.824 118.949 45.185 1.00 0.00 ATOM 163 CD2 LEU 21 8.844 118.256 43.835 1.00 0.00 ATOM 164 O LEU 21 13.071 116.265 44.619 1.00 0.00 ATOM 165 C LEU 21 12.789 116.467 43.435 1.00 0.00 ATOM 166 N ALA 22 12.721 115.486 42.543 1.00 0.00 ATOM 167 CA ALA 22 12.917 114.105 42.949 1.00 0.00 ATOM 168 CB ALA 22 12.768 113.154 41.816 1.00 0.00 ATOM 169 O ALA 22 14.590 113.079 44.335 1.00 0.00 ATOM 170 C ALA 22 14.347 113.894 43.437 1.00 0.00 ATOM 171 N GLN 23 15.294 114.584 42.803 1.00 0.00 ATOM 172 CA GLN 23 16.686 114.446 43.187 1.00 0.00 ATOM 173 CB GLN 23 17.604 115.148 42.205 1.00 0.00 ATOM 174 CG GLN 23 17.649 114.470 40.866 1.00 0.00 ATOM 175 CD GLN 23 18.487 115.203 39.849 1.00 0.00 ATOM 176 OE1 GLN 23 18.735 116.392 40.004 1.00 0.00 ATOM 177 NE2 GLN 23 18.823 114.528 38.763 1.00 0.00 ATOM 178 O GLN 23 17.728 114.396 45.321 1.00 0.00 ATOM 179 C GLN 23 16.934 114.970 44.590 1.00 0.00 ATOM 180 N ALA 24 16.219 116.011 44.993 1.00 0.00 ATOM 181 CA ALA 24 16.360 116.550 46.334 1.00 0.00 ATOM 182 CB ALA 24 15.795 117.949 46.402 1.00 0.00 ATOM 183 O ALA 24 16.116 115.805 48.555 1.00 0.00 ATOM 184 C ALA 24 15.936 115.526 47.380 1.00 0.00 ATOM 185 N ARG 25 14.911 114.745 47.083 1.00 0.00 ATOM 186 CA ARG 25 14.483 113.700 48.000 1.00 0.00 ATOM 187 CB ARG 25 15.101 112.359 47.440 1.00 0.00 ATOM 188 CG ARG 25 14.089 111.646 46.600 1.00 0.00 ATOM 189 CD ARG 25 14.627 110.651 45.630 1.00 0.00 ATOM 190 NE ARG 25 16.013 110.256 45.832 1.00 0.00 ATOM 191 CZ ARG 25 16.903 110.247 44.843 1.00 0.00 ATOM 192 NH1 ARG 25 16.541 110.626 43.615 1.00 0.00 ATOM 193 NH2 ARG 25 18.143 109.862 45.075 1.00 0.00 ATOM 194 O ARG 25 13.187 113.287 49.784 1.00 0.00 ATOM 195 C ARG 25 13.896 114.184 49.317 1.00 0.00 ATOM 196 N ALA 26 13.254 115.352 49.313 1.00 0.00 ATOM 197 CA ALA 26 12.641 115.883 50.519 1.00 0.00 ATOM 198 CB ALA 26 13.155 117.344 50.805 1.00 0.00 ATOM 199 O ALA 26 10.529 116.438 51.467 1.00 0.00 ATOM 200 C ALA 26 11.110 115.749 50.590 1.00 0.00 ATOM 201 N GLY 27 10.477 115.599 49.437 1.00 0.00 ATOM 202 CA GLY 27 9.047 115.500 49.459 1.00 0.00 ATOM 203 O GLY 27 8.772 113.925 47.701 1.00 0.00 ATOM 204 C GLY 27 8.292 114.886 48.305 1.00 0.00 ATOM 205 N ALA 28 7.002 115.202 48.241 1.00 0.00 ATOM 206 CA ALA 28 6.126 114.711 47.185 1.00 0.00 ATOM 207 CB ALA 28 5.020 113.843 47.702 1.00 0.00 ATOM 208 O ALA 28 5.425 116.976 47.237 1.00 0.00 ATOM 209 C ALA 28 5.465 115.937 46.596 1.00 0.00 ATOM 210 N PHE 29 4.815 115.776 45.446 1.00 0.00 ATOM 211 CA PHE 29 4.140 116.899 44.810 1.00 0.00 ATOM 212 CB PHE 29 5.163 117.735 44.005 1.00 0.00 ATOM 213 CG PHE 29 5.588 117.069 42.712 1.00 0.00 ATOM 214 CD1 PHE 29 6.643 116.159 42.687 1.00 0.00 ATOM 215 CD2 PHE 29 4.912 117.338 41.519 1.00 0.00 ATOM 216 CE1 PHE 29 7.036 115.532 41.548 1.00 0.00 ATOM 217 CE2 PHE 29 5.295 116.727 40.385 1.00 0.00 ATOM 218 CZ PHE 29 6.358 115.820 40.384 1.00 0.00 ATOM 219 O PHE 29 3.101 115.348 43.354 1.00 0.00 ATOM 220 C PHE 29 2.988 116.413 43.963 1.00 0.00 ATOM 221 N PHE 30 2.100 117.339 43.622 1.00 0.00 ATOM 222 CA PHE 30 0.965 117.045 42.773 1.00 0.00 ATOM 223 CB PHE 30 -0.305 117.559 43.379 1.00 0.00 ATOM 224 CG PHE 30 -0.645 116.848 44.657 1.00 0.00 ATOM 225 CD1 PHE 30 -0.037 117.217 45.855 1.00 0.00 ATOM 226 CD2 PHE 30 -1.517 115.764 44.653 1.00 0.00 ATOM 227 CE1 PHE 30 -0.291 116.515 47.033 1.00 0.00 ATOM 228 CE2 PHE 30 -1.779 115.054 45.824 1.00 0.00 ATOM 229 CZ PHE 30 -1.165 115.429 47.015 1.00 0.00 ATOM 230 O PHE 30 1.919 118.824 41.475 1.00 0.00 ATOM 231 C PHE 30 1.181 117.831 41.492 1.00 0.00 ATOM 232 N SER 31 0.658 117.313 40.390 1.00 0.00 ATOM 233 CA SER 31 0.806 118.007 39.131 1.00 0.00 ATOM 234 CB SER 31 1.600 117.171 38.089 1.00 0.00 ATOM 235 OG SER 31 0.932 115.954 37.786 1.00 0.00 ATOM 236 O SER 31 -1.121 117.356 38.092 1.00 0.00 ATOM 237 C SER 31 -0.565 118.335 38.595 1.00 0.00 ATOM 238 N VAL 32 -0.668 119.487 37.949 1.00 0.00 ATOM 239 CA VAL 32 -1.923 119.910 37.349 1.00 0.00 ATOM 240 CB VAL 32 -2.664 120.918 38.227 1.00 0.00 ATOM 241 CG1 VAL 32 -3.109 120.289 39.530 1.00 0.00 ATOM 242 CG2 VAL 32 -1.763 122.094 38.534 1.00 0.00 ATOM 243 O VAL 32 -0.490 120.944 35.829 1.00 0.00 ATOM 244 C VAL 32 -1.594 120.414 35.967 1.00 0.00 ATOM 245 N PHE 33 -2.111 119.723 34.956 1.00 0.00 ATOM 246 CA PHE 33 -1.886 120.092 33.565 1.00 0.00 ATOM 247 CB PHE 33 -1.952 118.846 32.631 1.00 0.00 ATOM 248 CG PHE 33 -0.850 117.835 32.795 1.00 0.00 ATOM 249 CD1 PHE 33 -0.741 117.067 33.949 1.00 0.00 ATOM 250 CD2 PHE 33 0.066 117.624 31.765 1.00 0.00 ATOM 251 CE1 PHE 33 0.262 116.098 34.068 1.00 0.00 ATOM 252 CE2 PHE 33 1.068 116.667 31.875 1.00 0.00 ATOM 253 CZ PHE 33 1.167 115.902 33.026 1.00 0.00 ATOM 254 O PHE 33 -3.997 121.181 33.359 1.00 0.00 ATOM 255 C PHE 33 -2.782 121.285 33.224 1.00 0.00 ATOM 256 N ILE 34 -2.178 122.443 32.943 1.00 0.00 ATOM 257 CA ILE 34 -2.934 123.660 32.658 1.00 0.00 ATOM 258 CB ILE 34 -2.031 124.894 32.568 1.00 0.00 ATOM 259 CG1 ILE 34 -1.029 124.741 31.419 1.00 0.00 ATOM 260 CG2 ILE 34 -1.307 125.084 33.897 1.00 0.00 ATOM 261 CD1 ILE 34 -0.130 125.943 31.225 1.00 0.00 ATOM 262 O ILE 34 -4.951 123.776 31.561 1.00 0.00 ATOM 263 C ILE 34 -3.734 123.647 31.354 1.00 0.00 ATOM 264 N ASP 35 -3.410 122.728 30.457 1.00 0.00 ATOM 265 CA ASP 35 -4.156 122.625 29.203 1.00 0.00 ATOM 266 CB ASP 35 -3.339 121.998 28.094 1.00 0.00 ATOM 267 CG ASP 35 -2.223 122.908 27.628 1.00 0.00 ATOM 268 OD1 ASP 35 -2.380 124.148 27.724 1.00 0.00 ATOM 269 OD2 ASP 35 -1.195 122.388 27.145 1.00 0.00 ATOM 270 O ASP 35 -6.451 122.533 29.491 1.00 0.00 ATOM 271 C ASP 35 -5.444 121.815 29.444 1.00 0.00 ATOM 272 N ASP 36 -5.376 120.839 30.348 1.00 0.00 ATOM 273 CA ASP 36 -6.532 120.005 30.696 1.00 0.00 ATOM 274 CB ASP 36 -6.078 118.642 31.232 1.00 0.00 ATOM 275 CG ASP 36 -5.570 117.748 30.112 1.00 0.00 ATOM 276 OD1 ASP 36 -5.789 118.084 28.926 1.00 0.00 ATOM 277 OD2 ASP 36 -4.960 116.725 30.422 1.00 0.00 ATOM 278 O ASP 36 -8.644 120.661 31.572 1.00 0.00 ATOM 279 C ASP 36 -7.419 120.691 31.736 1.00 0.00 ATOM 280 N ASP 37 -6.854 121.677 32.438 1.00 0.00 ATOM 281 CA ASP 37 -7.585 122.394 33.490 1.00 0.00 ATOM 282 CB ASP 37 -7.063 121.979 34.881 1.00 0.00 ATOM 283 CG ASP 37 -7.828 122.593 36.038 1.00 0.00 ATOM 284 OD1 ASP 37 -8.603 123.556 35.855 1.00 0.00 ATOM 285 OD2 ASP 37 -7.627 122.105 37.162 1.00 0.00 ATOM 286 O ASP 37 -6.572 124.575 33.822 1.00 0.00 ATOM 287 C ASP 37 -7.455 123.915 33.255 1.00 0.00 ATOM 288 N ALA 38 -8.234 124.457 32.307 1.00 0.00 ATOM 289 CA ALA 38 -8.194 125.888 31.986 1.00 0.00 ATOM 290 CB ALA 38 -9.348 126.241 31.084 1.00 0.00 ATOM 291 O ALA 38 -8.051 127.971 33.148 1.00 0.00 ATOM 292 C ALA 38 -8.459 126.808 33.163 1.00 0.00 ATOM 293 N ALA 39 -9.180 126.322 34.163 1.00 0.00 ATOM 294 CA ALA 39 -9.444 127.133 35.347 1.00 0.00 ATOM 295 CB ALA 39 -10.348 126.380 36.296 1.00 0.00 ATOM 296 O ALA 39 -7.847 128.664 36.315 1.00 0.00 ATOM 297 C ALA 39 -8.092 127.497 36.001 1.00 0.00 ATOM 298 N LEU 40 -7.172 126.539 36.041 1.00 0.00 ATOM 299 CA LEU 40 -5.859 126.774 36.639 1.00 0.00 ATOM 300 CB LEU 40 -5.009 125.509 36.799 1.00 0.00 ATOM 301 CG LEU 40 -5.566 124.522 37.817 1.00 0.00 ATOM 302 CD1 LEU 40 -4.695 123.246 37.778 1.00 0.00 ATOM 303 CD2 LEU 40 -5.544 125.108 39.235 1.00 0.00 ATOM 304 O LEU 40 -4.250 128.516 36.252 1.00 0.00 ATOM 305 C LEU 40 -5.047 127.723 35.753 1.00 0.00 ATOM 306 N GLU 41 -5.111 127.512 34.438 1.00 0.00 ATOM 307 CA GLU 41 -4.383 128.374 33.504 1.00 0.00 ATOM 308 CB GLU 41 -4.538 127.837 32.068 1.00 0.00 ATOM 309 CG GLU 41 -3.627 128.526 31.063 1.00 0.00 ATOM 310 CD GLU 41 -3.917 128.119 29.626 1.00 0.00 ATOM 311 OE1 GLU 41 -4.263 126.940 29.393 1.00 0.00 ATOM 312 OE2 GLU 41 -3.786 128.978 28.731 1.00 0.00 ATOM 313 O GLU 41 -4.036 130.742 33.475 1.00 0.00 ATOM 314 C GLU 41 -4.831 129.822 33.719 1.00 0.00 ATOM 315 N SER 42 -6.151 130.030 33.803 1.00 0.00 ATOM 316 CA SER 42 -6.697 131.374 33.989 1.00 0.00 ATOM 317 CB SER 42 -8.201 131.297 34.041 1.00 0.00 ATOM 318 OG SER 42 -8.696 130.991 32.729 1.00 0.00 ATOM 319 O SER 42 -5.719 133.104 35.336 1.00 0.00 ATOM 320 C SER 42 -6.243 131.970 35.309 1.00 0.00 ATOM 321 N ALA 43 -6.274 131.158 36.368 1.00 0.00 ATOM 322 CA ALA 43 -5.859 131.619 37.684 1.00 0.00 ATOM 323 CB ALA 43 -6.179 130.554 38.736 1.00 0.00 ATOM 324 O ALA 43 -3.873 132.804 38.364 1.00 0.00 ATOM 325 C ALA 43 -4.361 131.907 37.673 1.00 0.00 ATOM 326 N TYR 44 -3.647 131.127 36.874 1.00 0.00 ATOM 327 CA TYR 44 -2.195 131.253 36.767 1.00 0.00 ATOM 328 CB TYR 44 -1.490 129.974 37.181 1.00 0.00 ATOM 329 CG TYR 44 -1.556 129.679 38.662 1.00 0.00 ATOM 330 CD1 TYR 44 -2.599 128.921 39.171 1.00 0.00 ATOM 331 CD2 TYR 44 -0.609 130.166 39.541 1.00 0.00 ATOM 332 CE1 TYR 44 -2.674 128.648 40.519 1.00 0.00 ATOM 333 CE2 TYR 44 -0.674 129.887 40.900 1.00 0.00 ATOM 334 CZ TYR 44 -1.711 129.130 41.375 1.00 0.00 ATOM 335 OH TYR 44 -1.796 128.845 42.719 1.00 0.00 ATOM 336 O TYR 44 -1.886 130.492 34.672 1.00 0.00 ATOM 337 C TYR 44 -1.890 131.551 35.297 1.00 0.00 ATOM 338 N GLY 45 -0.826 132.278 35.035 1.00 0.00 ATOM 339 CA GLY 45 -0.530 132.598 33.622 1.00 0.00 ATOM 340 O GLY 45 1.731 132.619 34.153 1.00 0.00 ATOM 341 C GLY 45 0.919 132.199 33.332 1.00 0.00 ATOM 342 N LEU 46 1.228 132.038 32.065 1.00 0.00 ATOM 343 CA LEU 46 2.570 131.670 31.625 1.00 0.00 ATOM 344 CB LEU 46 3.113 132.975 30.877 1.00 0.00 ATOM 345 CG LEU 46 4.052 132.969 29.678 1.00 0.00 ATOM 346 CD1 LEU 46 3.381 132.232 28.527 1.00 0.00 ATOM 347 CD2 LEU 46 4.425 134.385 29.260 1.00 0.00 ATOM 348 O LEU 46 4.118 131.432 33.444 1.00 0.00 ATOM 349 C LEU 46 3.912 131.292 32.243 1.00 0.00 ATOM 350 N ARG 47 4.865 131.002 31.367 1.00 0.00 ATOM 351 CA ARG 47 6.240 130.720 31.750 1.00 0.00 ATOM 352 CB ARG 47 6.864 131.939 32.428 1.00 0.00 ATOM 353 CG ARG 47 8.113 131.636 33.240 1.00 0.00 ATOM 354 CD ARG 47 8.503 132.846 34.092 1.00 0.00 ATOM 355 NE ARG 47 8.660 134.038 33.265 1.00 0.00 ATOM 356 CZ ARG 47 7.713 134.953 33.073 1.00 0.00 ATOM 357 NH1 ARG 47 6.524 134.823 33.651 1.00 0.00 ATOM 358 NH2 ARG 47 7.946 135.993 32.280 1.00 0.00 ATOM 359 O ARG 47 5.635 129.709 33.827 1.00 0.00 ATOM 360 C ARG 47 5.963 129.534 32.650 1.00 0.00 ATOM 361 N VAL 48 6.221 128.341 32.135 1.00 0.00 ATOM 362 CA VAL 48 6.028 127.124 32.908 1.00 0.00 ATOM 363 CB VAL 48 5.020 126.183 32.237 1.00 0.00 ATOM 364 CG1 VAL 48 3.652 126.849 32.081 1.00 0.00 ATOM 365 CG2 VAL 48 5.541 125.772 30.875 1.00 0.00 ATOM 366 O VAL 48 8.358 126.733 32.493 1.00 0.00 ATOM 367 C VAL 48 7.362 126.453 33.165 1.00 0.00 ATOM 368 N PRO 49 7.419 125.623 34.208 1.00 0.00 ATOM 369 CA PRO 49 6.331 125.313 35.133 1.00 0.00 ATOM 370 CB PRO 49 6.808 123.978 35.739 1.00 0.00 ATOM 371 CG PRO 49 8.271 124.235 35.888 1.00 0.00 ATOM 372 CD PRO 49 8.630 124.887 34.554 1.00 0.00 ATOM 373 O PRO 49 6.975 127.341 36.244 1.00 0.00 ATOM 374 C PRO 49 6.154 126.436 36.155 1.00 0.00 ATOM 375 N VAL 50 5.102 126.328 36.949 1.00 0.00 ATOM 376 CA VAL 50 4.933 127.237 38.062 1.00 0.00 ATOM 377 CB VAL 50 3.588 127.954 37.951 1.00 0.00 ATOM 378 CG1 VAL 50 3.301 128.698 39.254 1.00 0.00 ATOM 379 CG2 VAL 50 3.596 128.920 36.771 1.00 0.00 ATOM 380 O VAL 50 4.425 125.183 39.191 1.00 0.00 ATOM 381 C VAL 50 4.919 126.316 39.277 1.00 0.00 ATOM 382 N LEU 51 5.747 126.625 40.266 1.00 0.00 ATOM 383 CA LEU 51 5.784 125.829 41.479 1.00 0.00 ATOM 384 CB LEU 51 7.255 125.423 41.786 1.00 0.00 ATOM 385 CG LEU 51 7.969 124.693 40.641 1.00 0.00 ATOM 386 CD1 LEU 51 9.429 124.473 41.004 1.00 0.00 ATOM 387 CD2 LEU 51 7.276 123.362 40.365 1.00 0.00 ATOM 388 O LEU 51 5.761 127.755 42.883 1.00 0.00 ATOM 389 C LEU 51 5.249 126.658 42.615 1.00 0.00 ATOM 390 N ARG 52 4.299 126.094 43.354 1.00 0.00 ATOM 391 CA ARG 52 3.725 126.781 44.514 1.00 0.00 ATOM 392 CB ARG 52 2.222 127.003 44.304 1.00 0.00 ATOM 393 CG ARG 52 1.551 127.780 45.420 1.00 0.00 ATOM 394 CD ARG 52 0.046 127.845 45.218 1.00 0.00 ATOM 395 NE ARG 52 -0.633 128.247 46.448 1.00 0.00 ATOM 396 CZ ARG 52 -0.785 129.504 46.855 1.00 0.00 ATOM 397 NH1 ARG 52 -0.317 130.508 46.124 1.00 0.00 ATOM 398 NH2 ARG 52 -1.384 129.755 48.013 1.00 0.00 ATOM 399 O ARG 52 4.097 124.654 45.457 1.00 0.00 ATOM 400 C ARG 52 3.958 125.858 45.702 1.00 0.00 ATOM 401 N ASP 53 4.590 126.385 46.741 1.00 0.00 ATOM 402 CA ASP 53 4.890 125.583 47.917 1.00 0.00 ATOM 403 CB ASP 53 6.325 125.776 48.356 1.00 0.00 ATOM 404 CG ASP 53 7.421 125.264 47.453 1.00 0.00 ATOM 405 OD1 ASP 53 7.198 124.795 46.328 1.00 0.00 ATOM 406 OD2 ASP 53 8.587 125.304 47.915 1.00 0.00 ATOM 407 O ASP 53 3.846 127.132 49.411 1.00 0.00 ATOM 408 C ASP 53 3.925 125.970 49.028 1.00 0.00 ATOM 409 N PRO 54 3.114 125.033 49.483 1.00 0.00 ATOM 410 CA PRO 54 2.152 125.253 50.548 1.00 0.00 ATOM 411 CB PRO 54 1.395 123.896 50.611 1.00 0.00 ATOM 412 CG PRO 54 1.518 123.339 49.207 1.00 0.00 ATOM 413 CD PRO 54 2.907 123.741 48.763 1.00 0.00 ATOM 414 O PRO 54 2.183 126.632 52.475 1.00 0.00 ATOM 415 C PRO 54 2.771 125.799 51.804 1.00 0.00 ATOM 416 N MET 55 4.035 125.402 52.114 1.00 0.00 ATOM 417 CA MET 55 4.682 125.987 53.260 1.00 0.00 ATOM 418 CB MET 55 5.855 125.284 53.844 1.00 0.00 ATOM 419 CG MET 55 5.629 123.768 54.081 1.00 0.00 ATOM 420 SD MET 55 7.023 122.896 54.713 1.00 0.00 ATOM 421 CE MET 55 7.885 122.767 53.295 1.00 0.00 ATOM 422 O MET 55 5.122 128.193 53.991 1.00 0.00 ATOM 423 C MET 55 4.889 127.480 53.017 1.00 0.00 ATOM 424 N GLY 56 4.990 127.929 51.744 1.00 0.00 ATOM 425 CA GLY 56 5.086 129.338 51.465 1.00 0.00 ATOM 426 O GLY 56 6.212 131.226 50.542 1.00 0.00 ATOM 427 C GLY 56 5.868 130.054 50.383 1.00 0.00 ATOM 428 N ARG 57 6.011 129.421 49.223 1.00 0.00 ATOM 429 CA ARG 57 6.730 130.035 48.113 1.00 0.00 ATOM 430 CB ARG 57 8.106 129.379 47.909 1.00 0.00 ATOM 431 CG ARG 57 8.975 130.060 46.848 1.00 0.00 ATOM 432 CD ARG 57 10.051 129.114 46.289 1.00 0.00 ATOM 433 NE ARG 57 9.490 128.043 45.454 1.00 0.00 ATOM 434 CZ ARG 57 9.815 126.748 45.548 1.00 0.00 ATOM 435 NH1 ARG 57 10.720 126.348 46.449 1.00 0.00 ATOM 436 NH2 ARG 57 9.241 125.846 44.752 1.00 0.00 ATOM 437 O ARG 57 5.463 128.796 46.509 1.00 0.00 ATOM 438 C ARG 57 6.199 129.751 46.716 1.00 0.00 ATOM 439 N GLU 58 6.691 130.639 45.752 1.00 0.00 ATOM 440 CA GLU 58 6.360 130.447 44.345 1.00 0.00 ATOM 441 CB GLU 58 4.741 130.432 44.300 1.00 0.00 ATOM 442 CG GLU 58 4.270 131.889 44.345 1.00 0.00 ATOM 443 CD GLU 58 2.761 132.053 44.281 1.00 0.00 ATOM 444 OE1 GLU 58 2.298 133.213 44.290 1.00 0.00 ATOM 445 OE2 GLU 58 2.033 131.043 44.216 1.00 0.00 ATOM 446 O GLU 58 7.370 132.193 43.242 1.00 0.00 ATOM 447 C GLU 58 7.474 130.985 43.462 1.00 0.00 ATOM 448 N LEU 59 7.857 130.202 42.454 1.00 0.00 ATOM 449 CA LEU 59 8.884 130.610 41.501 1.00 0.00 ATOM 450 CB LEU 59 10.234 130.072 41.983 1.00 0.00 ATOM 451 CG LEU 59 10.752 130.687 43.305 1.00 0.00 ATOM 452 CD1 LEU 59 12.067 130.047 43.710 1.00 0.00 ATOM 453 CD2 LEU 59 10.916 132.198 43.177 1.00 0.00 ATOM 454 O LEU 59 7.728 129.148 40.002 1.00 0.00 ATOM 455 C LEU 59 8.689 129.911 40.160 1.00 0.00 ATOM 456 N ASP 60 9.397 130.393 39.142 1.00 0.00 ATOM 457 CA ASP 60 9.324 129.834 37.792 1.00 0.00 ATOM 458 CB ASP 60 8.986 131.001 36.800 1.00 0.00 ATOM 459 CG ASP 60 7.620 131.597 37.059 1.00 0.00 ATOM 460 OD1 ASP 60 6.638 130.827 37.137 1.00 0.00 ATOM 461 OD2 ASP 60 7.527 132.837 37.176 1.00 0.00 ATOM 462 O ASP 60 9.279 128.216 36.045 1.00 0.00 ATOM 463 C ASP 60 9.957 128.804 36.878 1.00 0.00 ATOM 464 N TRP 61 11.229 128.517 37.105 1.00 0.00 ATOM 465 CA TRP 61 11.941 127.538 36.270 1.00 0.00 ATOM 466 CB TRP 61 13.015 128.279 35.429 1.00 0.00 ATOM 467 CG TRP 61 13.910 129.260 36.059 1.00 0.00 ATOM 468 CD1 TRP 61 15.245 129.075 36.359 1.00 0.00 ATOM 469 CD2 TRP 61 13.606 130.611 36.447 1.00 0.00 ATOM 470 CE2 TRP 61 14.772 131.178 36.960 1.00 0.00 ATOM 471 CE3 TRP 61 12.449 131.398 36.396 1.00 0.00 ATOM 472 NE1 TRP 61 15.772 130.230 36.900 1.00 0.00 ATOM 473 CZ2 TRP 61 14.809 132.489 37.416 1.00 0.00 ATOM 474 CZ3 TRP 61 12.493 132.705 36.861 1.00 0.00 ATOM 475 CH2 TRP 61 13.665 133.225 37.374 1.00 0.00 ATOM 476 O TRP 61 12.170 126.214 38.244 1.00 0.00 ATOM 477 C TRP 61 12.370 126.301 37.035 1.00 0.00 ATOM 478 N PRO 62 13.154 125.451 36.383 1.00 0.00 ATOM 479 CA PRO 62 13.624 124.232 37.014 1.00 0.00 ATOM 480 CB PRO 62 13.613 123.211 35.832 1.00 0.00 ATOM 481 CG PRO 62 14.211 124.090 34.770 1.00 0.00 ATOM 482 CD PRO 62 13.456 125.380 34.951 1.00 0.00 ATOM 483 O PRO 62 15.920 124.768 37.257 1.00 0.00 ATOM 484 C PRO 62 14.870 124.514 37.842 1.00 0.00 ATOM 485 N PHE 63 14.658 124.933 39.085 1.00 0.00 ATOM 486 CA PHE 63 15.748 125.235 40.003 1.00 0.00 ATOM 487 CB PHE 63 15.204 125.858 41.304 1.00 0.00 ATOM 488 CG PHE 63 14.585 127.213 41.129 1.00 0.00 ATOM 489 CD1 PHE 63 13.272 127.348 40.684 1.00 0.00 ATOM 490 CD2 PHE 63 15.319 128.361 41.415 1.00 0.00 ATOM 491 CE1 PHE 63 12.697 128.613 40.524 1.00 0.00 ATOM 492 CE2 PHE 63 14.753 129.628 41.261 1.00 0.00 ATOM 493 CZ PHE 63 13.442 129.754 40.815 1.00 0.00 ATOM 494 O PHE 63 16.140 122.888 40.261 1.00 0.00 ATOM 495 C PHE 63 16.627 124.016 40.288 1.00 0.00 ATOM 496 N ASP 64 17.959 124.200 40.271 1.00 0.00 ATOM 497 CA ASP 64 18.898 123.105 40.538 1.00 0.00 ATOM 498 CB ASP 64 20.312 123.661 40.706 1.00 0.00 ATOM 499 CG ASP 64 20.957 124.008 39.386 1.00 0.00 ATOM 500 OD1 ASP 64 20.394 123.690 38.315 1.00 0.00 ATOM 501 OD2 ASP 64 22.064 124.558 39.488 1.00 0.00 ATOM 502 O ASP 64 17.750 123.039 42.630 1.00 0.00 ATOM 503 C ASP 64 18.638 122.538 41.938 1.00 0.00 ATOM 504 N ALA 65 19.136 121.332 42.192 1.00 0.00 ATOM 505 CA ALA 65 18.934 120.657 43.472 1.00 0.00 ATOM 506 CB ALA 65 19.869 119.446 43.590 1.00 0.00 ATOM 507 O ALA 65 18.178 121.754 45.454 1.00 0.00 ATOM 508 C ALA 65 19.119 121.544 44.697 1.00 0.00 ATOM 509 N PRO 66 20.300 122.138 44.840 1.00 0.00 ATOM 510 CA PRO 66 20.597 122.986 45.992 1.00 0.00 ATOM 511 CB PRO 66 21.917 123.557 45.781 1.00 0.00 ATOM 512 CG PRO 66 22.679 122.425 45.139 1.00 0.00 ATOM 513 CD PRO 66 21.686 121.941 44.095 1.00 0.00 ATOM 514 O PRO 66 18.857 124.090 47.066 1.00 0.00 ATOM 515 C PRO 66 19.683 124.191 46.163 1.00 0.00 ATOM 516 N ARG 67 19.275 124.798 45.058 1.00 0.00 ATOM 517 CA ARG 67 18.409 125.960 45.152 1.00 0.00 ATOM 518 CB ARG 67 18.587 126.869 43.909 1.00 0.00 ATOM 519 CG ARG 67 19.991 127.400 43.651 1.00 0.00 ATOM 520 CD ARG 67 19.953 128.641 42.741 1.00 0.00 ATOM 521 NE ARG 67 19.259 128.407 41.473 1.00 0.00 ATOM 522 CZ ARG 67 19.791 127.800 40.414 1.00 0.00 ATOM 523 NH1 ARG 67 21.044 127.359 40.451 1.00 0.00 ATOM 524 NH2 ARG 67 19.065 127.626 39.318 1.00 0.00 ATOM 525 O ARG 67 16.231 126.307 46.074 1.00 0.00 ATOM 526 C ARG 67 16.944 125.612 45.346 1.00 0.00 ATOM 527 N LEU 68 16.520 124.483 44.785 1.00 0.00 ATOM 528 CA LEU 68 15.140 124.055 44.934 1.00 0.00 ATOM 529 CB LEU 68 14.812 122.887 44.045 1.00 0.00 ATOM 530 CG LEU 68 13.406 122.304 44.236 1.00 0.00 ATOM 531 CD1 LEU 68 12.367 123.306 43.747 1.00 0.00 ATOM 532 CD2 LEU 68 13.285 120.994 43.474 1.00 0.00 ATOM 533 O LEU 68 13.934 124.098 47.007 1.00 0.00 ATOM 534 C LEU 68 14.964 123.764 46.424 1.00 0.00 ATOM 535 N ARG 69 15.929 123.025 46.969 1.00 0.00 ATOM 536 CA ARG 69 15.898 122.653 48.413 1.00 0.00 ATOM 537 CB ARG 69 17.128 121.869 48.809 1.00 0.00 ATOM 538 CG ARG 69 17.115 120.427 48.435 1.00 0.00 ATOM 539 CD ARG 69 16.606 119.477 49.460 1.00 0.00 ATOM 540 NE ARG 69 17.303 119.539 50.760 1.00 0.00 ATOM 541 CZ ARG 69 16.886 118.905 51.816 1.00 0.00 ATOM 542 NH1 ARG 69 15.837 118.109 51.712 1.00 0.00 ATOM 543 NH2 ARG 69 17.510 119.083 52.981 1.00 0.00 ATOM 544 O ARG 69 15.199 123.992 50.259 1.00 0.00 ATOM 545 C ARG 69 15.921 123.881 49.262 1.00 0.00 ATOM 546 N ALA 70 16.746 124.864 48.917 1.00 0.00 ATOM 547 CA ALA 70 16.817 126.094 49.695 1.00 0.00 ATOM 548 CB ALA 70 17.933 127.020 49.168 1.00 0.00 ATOM 549 O ALA 70 15.015 127.311 50.706 1.00 0.00 ATOM 550 C ALA 70 15.481 126.830 49.674 1.00 0.00 ATOM 551 N TRP 71 14.870 126.938 48.498 1.00 0.00 ATOM 552 CA TRP 71 13.583 127.615 48.390 1.00 0.00 ATOM 553 CB TRP 71 13.225 127.916 46.926 1.00 0.00 ATOM 554 CG TRP 71 13.925 129.140 46.415 1.00 0.00 ATOM 555 CD1 TRP 71 15.025 129.203 45.626 1.00 0.00 ATOM 556 CD2 TRP 71 13.550 130.503 46.674 1.00 0.00 ATOM 557 CE2 TRP 71 14.469 131.331 46.010 1.00 0.00 ATOM 558 CE3 TRP 71 12.507 131.067 47.435 1.00 0.00 ATOM 559 NE1 TRP 71 15.371 130.535 45.365 1.00 0.00 ATOM 560 CZ2 TRP 71 14.383 132.724 46.050 1.00 0.00 ATOM 561 CZ3 TRP 71 12.406 132.459 47.466 1.00 0.00 ATOM 562 CH2 TRP 71 13.360 133.243 46.794 1.00 0.00 ATOM 563 O TRP 71 11.653 127.499 49.803 1.00 0.00 ATOM 564 C TRP 71 12.489 126.876 49.151 1.00 0.00 ATOM 565 N LEU 72 12.523 125.547 49.106 1.00 0.00 ATOM 566 CA LEU 72 11.527 124.766 49.830 1.00 0.00 ATOM 567 CB LEU 72 11.666 123.306 49.667 1.00 0.00 ATOM 568 CG LEU 72 10.847 122.723 48.512 1.00 0.00 ATOM 569 CD1 LEU 72 11.306 123.316 47.189 1.00 0.00 ATOM 570 CD2 LEU 72 11.000 121.215 48.504 1.00 0.00 ATOM 571 O LEU 72 10.715 125.333 51.988 1.00 0.00 ATOM 572 C LEU 72 11.687 124.973 51.330 1.00 0.00 ATOM 573 N ASP 73 12.926 125.096 51.782 1.00 0.00 ATOM 574 CA ASP 73 13.150 125.336 53.228 1.00 0.00 ATOM 575 CB ASP 73 14.638 125.087 53.541 1.00 0.00 ATOM 576 CG ASP 73 15.079 123.634 53.536 1.00 0.00 ATOM 577 OD1 ASP 73 14.198 122.760 53.561 1.00 0.00 ATOM 578 OD2 ASP 73 16.297 123.414 53.522 1.00 0.00 ATOM 579 O ASP 73 12.349 126.924 54.797 1.00 0.00 ATOM 580 C ASP 73 12.713 126.740 53.615 1.00 0.00 ATOM 581 N ALA 74 12.948 127.751 52.790 1.00 0.00 ATOM 582 CA ALA 74 12.530 129.101 53.088 1.00 0.00 ATOM 583 CB ALA 74 13.227 130.036 52.135 1.00 0.00 ATOM 584 O ALA 74 10.588 130.437 53.083 1.00 0.00 ATOM 585 C ALA 74 11.030 129.307 52.928 1.00 0.00 ATOM 586 N ALA 75 10.344 128.377 52.292 1.00 0.00 ATOM 587 CA ALA 75 8.909 128.532 52.056 1.00 0.00 ATOM 588 CB ALA 75 8.356 127.231 51.436 1.00 0.00 ATOM 589 O ALA 75 7.242 129.767 53.267 1.00 0.00 ATOM 590 C ALA 75 8.046 128.835 53.291 1.00 0.00 ATOM 591 N PRO 76 8.253 128.114 54.404 1.00 0.00 ATOM 592 CA PRO 76 7.449 128.365 55.609 1.00 0.00 ATOM 593 CB PRO 76 7.985 127.444 56.647 1.00 0.00 ATOM 594 CG PRO 76 8.519 126.266 55.850 1.00 0.00 ATOM 595 CD PRO 76 9.205 126.981 54.666 1.00 0.00 ATOM 596 O PRO 76 6.632 130.303 56.774 1.00 0.00 ATOM 597 C PRO 76 7.548 129.799 56.120 1.00 0.00 ATOM 598 N HIS 77 8.637 130.488 55.756 1.00 0.00 ATOM 599 CA HIS 77 8.868 131.849 56.178 1.00 0.00 ATOM 600 CB HIS 77 10.334 132.249 56.139 1.00 0.00 ATOM 601 CG HIS 77 11.088 131.524 57.217 1.00 0.00 ATOM 602 CD2 HIS 77 11.522 130.238 57.262 1.00 0.00 ATOM 603 ND1 HIS 77 11.317 132.069 58.459 1.00 0.00 ATOM 604 CE1 HIS 77 11.941 131.169 59.201 1.00 0.00 ATOM 605 NE2 HIS 77 12.079 130.060 58.491 1.00 0.00 ATOM 606 O HIS 77 8.314 134.073 55.523 1.00 0.00 ATOM 607 C HIS 77 8.257 132.883 55.226 1.00 0.00 ATOM 608 N ALA 78 7.935 132.522 53.998 1.00 0.00 ATOM 609 CA ALA 78 7.396 133.466 53.034 1.00 0.00 ATOM 610 CB ALA 78 8.185 133.390 51.727 1.00 0.00 ATOM 611 O ALA 78 5.377 132.250 53.403 1.00 0.00 ATOM 612 C ALA 78 5.959 133.088 52.672 1.00 0.00 TER END