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 This (incomplete) model is taken directly from alignment to 2trxA, METHOD using SCWRL to optimize the sidechains. METHOD REMARK 6 T0207 model 5 Sun Jun 20 18:48:55 2004 MODEL 5 PARENT 2trx_A ATOM 2 N ALA 2 2.560 121.950 50.940 1.00 0.00 ATOM 3 CA ALA 2 2.389 121.208 49.668 1.00 0.00 ATOM 4 CB ALA 2 0.915 120.955 49.395 1.00 0.00 ATOM 5 O ALA 2 2.637 123.233 48.438 1.00 0.00 ATOM 6 C ALA 2 2.986 122.061 48.556 1.00 0.00 ATOM 7 N LEU 3 3.798 121.458 47.698 1.00 0.00 ATOM 8 CA LEU 3 4.447 122.157 46.587 1.00 0.00 ATOM 9 CB LEU 3 5.920 121.752 46.485 1.00 0.00 ATOM 10 CG LEU 3 6.717 122.380 45.340 1.00 0.00 ATOM 11 CD1 LEU 3 6.867 123.878 45.547 1.00 0.00 ATOM 12 CD2 LEU 3 8.107 121.769 45.256 1.00 0.00 ATOM 13 O LEU 3 3.634 120.513 45.077 1.00 0.00 ATOM 14 C LEU 3 3.671 121.737 45.314 1.00 0.00 ATOM 15 N THR 4 3.198 122.693 44.555 1.00 0.00 ATOM 16 CA THR 4 2.355 122.367 43.392 1.00 0.00 ATOM 17 CB THR 4 1.016 123.124 43.434 1.00 0.00 ATOM 18 CG2 THR 4 0.173 122.785 42.215 1.00 0.00 ATOM 19 OG1 THR 4 0.293 122.758 44.615 1.00 0.00 ATOM 20 O THR 4 3.520 123.957 42.030 1.00 0.00 ATOM 21 C THR 4 3.141 122.775 42.132 1.00 0.00 ATOM 22 N LEU 5 3.338 121.833 41.236 1.00 0.00 ATOM 23 CA LEU 5 4.028 122.074 39.949 1.00 0.00 ATOM 24 CB LEU 5 4.946 120.900 39.604 1.00 0.00 ATOM 25 CG LEU 5 5.688 120.989 38.269 1.00 0.00 ATOM 26 CD1 LEU 5 6.673 122.149 38.278 1.00 0.00 ATOM 27 CD2 LEU 5 6.464 119.709 37.998 1.00 0.00 ATOM 28 O LEU 5 2.279 121.246 38.577 1.00 0.00 ATOM 29 C LEU 5 3.004 122.239 38.834 1.00 0.00 ATOM 30 N TYR 6 2.959 123.364 38.175 1.00 0.00 ATOM 31 CA TYR 6 2.083 123.664 37.025 1.00 0.00 ATOM 32 CB TYR 6 1.652 125.132 37.049 1.00 0.00 ATOM 33 CG TYR 6 0.687 125.470 38.163 1.00 0.00 ATOM 34 CD1 TYR 6 1.147 125.964 39.377 1.00 0.00 ATOM 35 CD2 TYR 6 -0.681 125.291 37.998 1.00 0.00 ATOM 36 CE1 TYR 6 0.272 126.275 40.401 1.00 0.00 ATOM 37 CE2 TYR 6 -1.570 125.598 39.010 1.00 0.00 ATOM 38 CZ TYR 6 -1.081 126.092 40.219 1.00 0.00 ATOM 39 OH TYR 6 -1.954 126.401 41.236 1.00 0.00 ATOM 40 O TYR 6 3.999 123.933 35.588 1.00 0.00 ATOM 41 C TYR 6 2.921 123.360 35.772 1.00 0.00 ATOM 42 N GLN 7 2.456 122.417 34.971 1.00 0.00 ATOM 43 CA GLN 7 3.258 121.918 33.821 1.00 0.00 ATOM 44 CB GLN 7 4.044 120.667 34.219 1.00 0.00 ATOM 45 CG GLN 7 3.177 119.518 34.707 1.00 0.00 ATOM 46 CD GLN 7 3.994 118.345 35.210 1.00 0.00 ATOM 47 OE1 GLN 7 4.382 118.300 36.378 1.00 0.00 ATOM 48 NE2 GLN 7 4.258 117.388 34.328 1.00 0.00 ATOM 49 O GLN 7 1.118 121.576 32.752 1.00 0.00 ATOM 50 C GLN 7 2.331 121.567 32.656 1.00 0.00 ATOM 51 N ARG 8 2.999 121.187 31.569 1.00 0.00 ATOM 52 CA ARG 8 2.331 120.728 30.326 1.00 0.00 ATOM 53 CB ARG 8 1.872 121.925 29.491 1.00 0.00 ATOM 54 CG ARG 8 3.007 122.790 28.969 1.00 0.00 ATOM 55 CD ARG 8 2.481 123.954 28.147 1.00 0.00 ATOM 56 NE ARG 8 3.561 124.782 27.614 1.00 0.00 ATOM 57 CZ ARG 8 3.379 125.808 26.789 1.00 0.00 ATOM 58 NH1 ARG 8 4.422 126.504 26.357 1.00 0.00 ATOM 59 NH2 ARG 8 2.157 126.135 26.397 1.00 0.00 ATOM 60 O ARG 8 4.599 120.073 29.730 1.00 0.00 ATOM 61 C ARG 8 3.385 119.911 29.578 1.00 0.00 ATOM 62 N ASP 9 2.843 118.992 28.778 1.00 0.00 ATOM 63 CA ASP 9 3.726 118.060 28.082 1.00 0.00 ATOM 64 CB ASP 9 2.908 117.002 27.339 1.00 0.00 ATOM 65 CG ASP 9 2.279 115.987 28.275 1.00 0.00 ATOM 66 OD1 ASP 9 2.670 115.953 29.461 1.00 0.00 ATOM 67 OD2 ASP 9 1.400 115.227 27.822 1.00 0.00 ATOM 68 O ASP 9 5.757 118.214 26.836 1.00 0.00 ATOM 69 C ASP 9 4.639 118.704 27.040 1.00 0.00 ATOM 70 N ASP 10 4.191 119.767 26.466 1.00 0.00 ATOM 71 CA ASP 10 4.921 120.508 25.444 1.00 0.00 ATOM 72 CB ASP 10 3.974 121.424 24.668 1.00 0.00 ATOM 73 CG ASP 10 3.044 120.658 23.750 1.00 0.00 ATOM 74 OD1 ASP 10 3.307 119.461 23.500 1.00 0.00 ATOM 75 OD2 ASP 10 2.052 121.251 23.277 1.00 0.00 ATOM 76 O ASP 10 6.778 121.963 25.334 1.00 0.00 ATOM 77 C ASP 10 6.004 121.363 26.083 1.00 0.00 ATOM 78 N CYS 11 6.024 121.439 27.410 1.00 0.00 ATOM 79 CA CYS 11 6.973 122.361 28.091 1.00 0.00 ATOM 80 CB CYS 11 6.384 122.855 29.415 1.00 0.00 ATOM 81 SG CYS 11 7.453 123.990 30.331 1.00 0.00 ATOM 82 O CYS 11 8.455 120.807 29.248 1.00 0.00 ATOM 83 C CYS 11 8.270 121.680 28.387 1.00 0.00 ATOM 84 N HIS 12 9.325 122.079 27.633 1.00 0.00 ATOM 85 CA HIS 12 10.632 121.464 27.791 1.00 0.00 ATOM 86 CB HIS 12 11.637 122.083 26.817 1.00 0.00 ATOM 87 CG HIS 12 13.024 121.540 26.954 1.00 0.00 ATOM 88 CD2 HIS 12 14.282 122.030 27.504 1.00 0.00 ATOM 89 ND1 HIS 12 13.382 120.286 26.508 1.00 0.00 ATOM 90 CE1 HIS 12 14.685 120.083 26.770 1.00 0.00 ATOM 91 NE2 HIS 12 15.231 121.124 27.366 1.00 0.00 ATOM 92 O HIS 12 11.609 120.618 29.817 1.00 0.00 ATOM 93 C HIS 12 11.228 121.613 29.171 1.00 0.00 ATOM 94 N LEU 13 11.325 122.840 29.684 1.00 0.00 ATOM 95 CA LEU 13 11.877 123.058 31.022 1.00 0.00 ATOM 96 CB LEU 13 11.863 124.547 31.372 1.00 0.00 ATOM 97 CG LEU 13 12.819 125.440 30.577 1.00 0.00 ATOM 98 CD1 LEU 13 12.583 126.906 30.904 1.00 0.00 ATOM 99 CD2 LEU 13 14.265 125.105 30.906 1.00 0.00 ATOM 100 O LEU 13 11.647 121.998 33.151 1.00 0.00 ATOM 101 C LEU 13 11.074 122.320 32.099 1.00 0.00 ATOM 102 N CYS 14 9.787 122.158 31.841 1.00 0.00 ATOM 103 CA CYS 14 8.948 121.408 32.830 1.00 0.00 ATOM 104 CB CYS 14 7.482 121.403 32.395 1.00 0.00 ATOM 105 SG CYS 14 6.670 123.015 32.492 1.00 0.00 ATOM 106 O CYS 14 9.494 119.426 34.015 1.00 0.00 ATOM 107 C CYS 14 9.424 119.975 32.939 1.00 0.00 ATOM 108 N ASP 15 9.684 119.365 31.766 1.00 0.00 ATOM 109 CA ASP 15 10.173 117.983 31.755 1.00 0.00 ATOM 110 CB ASP 15 10.215 117.442 30.324 1.00 0.00 ATOM 111 CG ASP 15 8.835 117.146 29.773 1.00 0.00 ATOM 112 OD1 ASP 15 7.869 117.124 30.566 1.00 0.00 ATOM 113 OD2 ASP 15 8.716 116.935 28.547 1.00 0.00 ATOM 114 O ASP 15 11.888 116.955 33.043 1.00 0.00 ATOM 115 C ASP 15 11.558 117.933 32.334 1.00 0.00 ATOM 116 N GLN 16 12.371 118.947 32.177 1.00 0.00 ATOM 117 CA GLN 16 13.720 118.925 32.808 1.00 0.00 ATOM 118 CB GLN 16 14.507 120.182 32.433 1.00 0.00 ATOM 119 CG GLN 16 14.948 120.227 30.980 1.00 0.00 ATOM 120 CD GLN 16 15.658 121.520 30.627 1.00 0.00 ATOM 121 OE1 GLN 16 15.790 122.415 31.461 1.00 0.00 ATOM 122 NE2 GLN 16 16.116 121.623 29.384 1.00 0.00 ATOM 123 O GLN 16 14.603 118.333 34.984 1.00 0.00 ATOM 124 C GLN 16 13.706 118.868 34.313 1.00 0.00 ATOM 125 N ALA 17 12.705 119.482 34.978 1.00 0.00 ATOM 126 CA ALA 17 12.689 119.489 36.448 1.00 0.00 ATOM 127 CB ALA 17 12.045 120.766 36.965 1.00 0.00 ATOM 128 O ALA 17 11.905 118.126 38.239 1.00 0.00 ATOM 129 C ALA 17 11.905 118.311 37.011 1.00 0.00 ATOM 130 N VAL 18 11.209 117.561 36.165 1.00 0.00 ATOM 131 CA VAL 18 10.437 116.407 36.719 1.00 0.00 ATOM 132 CB VAL 18 9.855 115.526 35.598 1.00 0.00 ATOM 133 CG1 VAL 18 9.259 114.252 36.177 1.00 0.00 ATOM 134 CG2 VAL 18 8.762 116.271 34.847 1.00 0.00 ATOM 135 O VAL 18 10.853 115.130 38.729 1.00 0.00 ATOM 136 C VAL 18 11.246 115.493 37.585 1.00 0.00 ATOM 137 N GLU 19 12.457 115.036 37.195 1.00 0.00 ATOM 138 CA GLU 19 13.216 114.158 38.072 1.00 0.00 ATOM 139 CB GLU 19 14.514 113.714 37.394 1.00 0.00 ATOM 140 CG GLU 19 14.311 112.739 36.246 1.00 0.00 ATOM 141 CD GLU 19 15.608 112.395 35.538 1.00 0.00 ATOM 142 OE1 GLU 19 16.654 112.972 35.900 1.00 0.00 ATOM 143 OE2 GLU 19 15.577 111.547 34.620 1.00 0.00 ATOM 144 O GLU 19 13.779 114.095 40.395 1.00 0.00 ATOM 145 C GLU 19 13.610 114.785 39.375 1.00 0.00 ATOM 146 N ALA 20 13.857 116.112 39.300 1.00 0.00 ATOM 147 CA ALA 20 14.285 116.791 40.563 1.00 0.00 ATOM 148 CB ALA 20 14.710 118.223 40.279 1.00 0.00 ATOM 149 O ALA 20 13.371 116.621 42.719 1.00 0.00 ATOM 150 C ALA 20 13.100 116.788 41.531 1.00 0.00 ATOM 151 N LEU 21 11.894 116.928 41.028 1.00 0.00 ATOM 152 CA LEU 21 10.725 116.857 41.925 1.00 0.00 ATOM 153 CB LEU 21 9.436 117.140 41.151 1.00 0.00 ATOM 154 CG LEU 21 8.138 117.116 41.961 1.00 0.00 ATOM 155 CD1 LEU 21 8.165 118.180 43.047 1.00 0.00 ATOM 156 CD2 LEU 21 6.940 117.380 41.064 1.00 0.00 ATOM 157 O LEU 21 10.204 115.314 43.723 1.00 0.00 ATOM 158 C LEU 21 10.606 115.468 42.561 1.00 0.00 ATOM 159 N ALA 22 10.922 114.418 41.814 1.00 0.00 ATOM 160 CA ALA 22 10.902 113.072 42.413 1.00 0.00 ATOM 161 CB ALA 22 11.210 112.018 41.360 1.00 0.00 ATOM 162 O ALA 22 11.655 112.328 44.549 1.00 0.00 ATOM 163 C ALA 22 11.921 112.926 43.520 1.00 0.00 ATOM 164 N GLN 23 13.137 113.467 43.286 1.00 0.00 ATOM 165 CA GLN 23 14.145 113.419 44.364 1.00 0.00 ATOM 166 CB GLN 23 15.462 114.042 43.895 1.00 0.00 ATOM 167 CG GLN 23 16.208 113.213 42.862 1.00 0.00 ATOM 168 CD GLN 23 17.447 113.911 42.338 1.00 0.00 ATOM 169 OE1 GLN 23 17.711 115.064 42.677 1.00 0.00 ATOM 170 NE2 GLN 23 18.211 113.213 41.507 1.00 0.00 ATOM 171 O GLN 23 13.924 113.717 46.734 1.00 0.00 ATOM 172 C GLN 23 13.711 114.170 45.609 1.00 0.00 ATOM 173 N ALA 24 13.114 115.344 45.372 1.00 0.00 ATOM 174 CA ALA 24 12.665 116.179 46.523 1.00 0.00 ATOM 175 CB ALA 24 12.173 117.533 46.038 1.00 0.00 ATOM 176 O ALA 24 11.435 115.525 48.472 1.00 0.00 ATOM 177 C ALA 24 11.533 115.460 47.241 1.00 0.00 ATOM 178 N ARG 25 10.031 113.601 52.240 1.00 0.00 ATOM 179 CA ARG 25 8.857 112.760 52.601 1.00 0.00 ATOM 180 CB ARG 25 9.150 111.284 52.325 1.00 0.00 ATOM 181 CG ARG 25 7.962 110.363 52.549 1.00 0.00 ATOM 182 CD ARG 25 8.323 108.916 52.252 1.00 0.00 ATOM 183 NE ARG 25 8.702 108.721 50.855 1.00 0.00 ATOM 184 CZ ARG 25 7.834 108.563 49.862 1.00 0.00 ATOM 185 NH1 ARG 25 8.271 108.392 48.622 1.00 0.00 ATOM 186 NH2 ARG 25 6.532 108.580 50.109 1.00 0.00 ATOM 187 O ARG 25 9.394 112.895 54.971 1.00 0.00 ATOM 188 C ARG 25 8.539 112.929 54.073 1.00 0.00 ATOM 189 N ALA 26 7.265 113.128 54.357 1.00 0.00 ATOM 190 CA ALA 26 6.931 113.412 55.767 1.00 0.00 ATOM 191 CB ALA 26 7.914 112.715 56.695 1.00 0.00 ATOM 192 O ALA 26 6.315 115.239 57.114 1.00 0.00 ATOM 193 C ALA 26 6.968 114.881 56.109 1.00 0.00 ATOM 194 N GLY 27 7.626 115.776 55.409 1.00 0.00 ATOM 195 CA GLY 27 7.661 117.194 55.716 1.00 0.00 ATOM 196 O GLY 27 6.720 119.233 54.843 1.00 0.00 ATOM 197 C GLY 27 7.009 118.035 54.609 1.00 0.00 ATOM 198 N ALA 28 6.851 117.403 53.448 1.00 0.00 ATOM 199 CA ALA 28 6.322 118.130 52.285 1.00 0.00 ATOM 200 CB ALA 28 7.456 118.782 51.507 1.00 0.00 ATOM 201 O ALA 28 6.159 116.040 51.287 1.00 0.00 ATOM 202 C ALA 28 5.589 117.133 51.382 1.00 0.00 ATOM 203 N PHE 29 4.376 116.719 47.406 1.00 0.00 ATOM 204 CA PHE 29 4.565 117.366 46.085 1.00 0.00 ATOM 205 CB PHE 29 5.878 116.909 45.447 1.00 0.00 ATOM 206 CG PHE 29 7.103 117.433 46.141 1.00 0.00 ATOM 207 CD1 PHE 29 7.871 116.602 46.939 1.00 0.00 ATOM 208 CD2 PHE 29 7.488 118.753 45.997 1.00 0.00 ATOM 209 CE1 PHE 29 8.999 117.084 47.579 1.00 0.00 ATOM 210 CE2 PHE 29 8.615 119.234 46.634 1.00 0.00 ATOM 211 CZ PHE 29 9.370 118.405 47.423 1.00 0.00 ATOM 212 O PHE 29 2.944 115.802 45.231 1.00 0.00 ATOM 213 C PHE 29 3.385 116.956 45.206 1.00 0.00 ATOM 214 N PHE 30 2.894 117.897 44.420 1.00 0.00 ATOM 215 CA PHE 30 1.739 117.622 43.547 1.00 0.00 ATOM 216 CB PHE 30 0.457 118.188 44.162 1.00 0.00 ATOM 217 CG PHE 30 0.128 117.618 45.512 1.00 0.00 ATOM 218 CD1 PHE 30 0.547 118.254 46.668 1.00 0.00 ATOM 219 CD2 PHE 30 -0.600 116.447 45.625 1.00 0.00 ATOM 220 CE1 PHE 30 0.246 117.728 47.910 1.00 0.00 ATOM 221 CE2 PHE 30 -0.902 115.923 46.868 1.00 0.00 ATOM 222 CZ PHE 30 -0.483 116.557 48.007 1.00 0.00 ATOM 223 O PHE 30 2.726 119.210 42.086 1.00 0.00 ATOM 224 C PHE 30 1.938 118.260 42.177 1.00 0.00 ATOM 225 N SER 31 1.214 117.779 41.181 1.00 0.00 ATOM 226 CA SER 31 1.266 118.307 39.820 1.00 0.00 ATOM 227 CB SER 31 1.918 117.293 38.878 1.00 0.00 ATOM 228 OG SER 31 3.264 117.047 39.246 1.00 0.00 ATOM 229 O SER 31 -1.056 117.845 39.492 1.00 0.00 ATOM 230 C SER 31 -0.112 118.625 39.253 1.00 0.00 ATOM 231 N VAL 32 -0.131 119.698 38.471 1.00 0.00 ATOM 232 CA VAL 32 -1.387 120.060 37.781 1.00 0.00 ATOM 233 CB VAL 32 -2.049 121.293 38.424 1.00 0.00 ATOM 234 CG1 VAL 32 -3.327 121.657 37.686 1.00 0.00 ATOM 235 CG2 VAL 32 -2.395 121.014 39.880 1.00 0.00 ATOM 236 O VAL 32 -0.275 121.321 36.093 1.00 0.00 ATOM 237 C VAL 32 -0.999 120.364 36.329 1.00 0.00 ATOM 238 N PHE 33 -1.512 119.477 35.469 1.00 0.00 ATOM 239 CA PHE 33 -1.281 119.663 34.005 1.00 0.00 ATOM 240 CB PHE 33 -1.516 118.351 33.255 1.00 0.00 ATOM 241 CG PHE 33 -0.461 117.311 33.506 1.00 0.00 ATOM 242 CD1 PHE 33 -0.647 116.335 34.468 1.00 0.00 ATOM 243 CD2 PHE 33 0.717 117.309 32.779 1.00 0.00 ATOM 244 CE1 PHE 33 0.323 115.378 34.700 1.00 0.00 ATOM 245 CE2 PHE 33 1.686 116.353 33.010 1.00 0.00 ATOM 246 CZ PHE 33 1.494 115.390 33.966 1.00 0.00 ATOM 247 O PHE 33 -3.500 120.524 33.572 1.00 0.00 ATOM 248 C PHE 33 -2.257 120.717 33.524 1.00 0.00 ATOM 249 N ILE 34 -1.745 121.841 33.020 1.00 0.00 ATOM 250 CA ILE 34 -2.610 122.950 32.621 1.00 0.00 ATOM 251 CB ILE 34 -1.810 124.255 32.447 1.00 0.00 ATOM 252 CG1 ILE 34 -0.801 124.113 31.306 1.00 0.00 ATOM 253 CG2 ILE 34 -1.052 124.589 33.722 1.00 0.00 ATOM 254 CD1 ILE 34 -0.100 125.404 30.946 1.00 0.00 ATOM 255 O ILE 34 -4.258 123.544 31.082 1.00 0.00 ATOM 256 C ILE 34 -3.358 122.735 31.283 1.00 0.00 ATOM 257 N ASP 35 -2.987 121.759 30.521 1.00 0.00 ATOM 258 CA ASP 35 -3.716 121.481 29.257 1.00 0.00 ATOM 259 CB ASP 35 -2.879 120.586 28.340 1.00 0.00 ATOM 260 CG ASP 35 -1.695 121.314 27.737 1.00 0.00 ATOM 261 OD1 ASP 35 -1.670 122.562 27.799 1.00 0.00 ATOM 262 OD2 ASP 35 -0.793 120.639 27.199 1.00 0.00 ATOM 263 O ASP 35 -6.077 121.075 29.077 1.00 0.00 ATOM 264 C ASP 35 -5.023 120.773 29.649 1.00 0.00 ATOM 265 N ASP 36 -4.846 119.868 30.610 1.00 0.00 ATOM 266 CA ASP 36 -6.013 119.060 31.052 1.00 0.00 ATOM 267 CB ASP 36 -5.547 117.759 31.707 1.00 0.00 ATOM 268 CG ASP 36 -4.979 116.772 30.706 1.00 0.00 ATOM 269 OD1 ASP 36 -5.181 116.977 29.491 1.00 0.00 ATOM 270 OD2 ASP 36 -4.332 115.795 31.137 1.00 0.00 ATOM 271 O ASP 36 -8.080 119.413 32.191 1.00 0.00 ATOM 272 C ASP 36 -6.884 119.765 32.052 1.00 0.00 ATOM 273 N ASP 37 -6.378 120.725 32.796 1.00 0.00 ATOM 274 CA ASP 37 -7.083 121.471 33.847 1.00 0.00 ATOM 275 CB ASP 37 -6.627 121.006 35.231 1.00 0.00 ATOM 276 CG ASP 37 -7.434 121.631 36.351 1.00 0.00 ATOM 277 OD1 ASP 37 -8.366 122.406 36.051 1.00 0.00 ATOM 278 OD2 ASP 37 -7.135 121.347 37.531 1.00 0.00 ATOM 279 O ASP 37 -5.852 123.464 34.344 1.00 0.00 ATOM 280 C ASP 37 -6.766 122.945 33.674 1.00 0.00 ATOM 281 N ALA 38 -7.463 123.599 32.799 1.00 0.00 ATOM 282 CA ALA 38 -7.149 125.008 32.498 1.00 0.00 ATOM 283 CB ALA 38 -7.694 125.392 31.131 1.00 0.00 ATOM 284 O ALA 38 -7.404 127.208 33.299 1.00 0.00 ATOM 285 C ALA 38 -7.710 126.011 33.461 1.00 0.00 ATOM 286 N ALA 39 -8.515 125.631 34.430 1.00 0.00 ATOM 287 CA ALA 39 -9.180 126.551 35.331 1.00 0.00 ATOM 288 CB ALA 39 -10.412 125.896 35.942 1.00 0.00 ATOM 289 O ALA 39 -8.650 128.170 36.949 1.00 0.00 ATOM 290 C ALA 39 -8.361 127.039 36.496 1.00 0.00 ATOM 291 N LEU 40 -7.358 126.291 36.961 1.00 0.00 ATOM 292 CA LEU 40 -6.669 126.702 38.168 1.00 0.00 ATOM 293 CB LEU 40 -5.953 125.510 38.807 1.00 0.00 ATOM 294 CG LEU 40 -6.847 124.397 39.357 1.00 0.00 ATOM 295 CD1 LEU 40 -6.010 123.215 39.821 1.00 0.00 ATOM 296 CD2 LEU 40 -7.663 124.897 40.540 1.00 0.00 ATOM 297 O LEU 40 -5.602 128.700 38.821 1.00 0.00 ATOM 298 C LEU 40 -5.586 127.795 37.964 1.00 0.00 ATOM 299 N GLU 41 -4.773 127.635 36.963 1.00 0.00 ATOM 300 CA GLU 41 -3.617 128.569 36.805 1.00 0.00 ATOM 301 CB GLU 41 -2.910 128.326 35.469 1.00 0.00 ATOM 302 CG GLU 41 -1.702 129.217 35.235 1.00 0.00 ATOM 303 CD GLU 41 -1.003 128.921 33.924 1.00 0.00 ATOM 304 OE1 GLU 41 -1.445 127.993 33.212 1.00 0.00 ATOM 305 OE2 GLU 41 -0.015 129.615 33.607 1.00 0.00 ATOM 306 O GLU 41 -3.436 130.878 37.509 1.00 0.00 ATOM 307 C GLU 41 -4.049 130.049 36.836 1.00 0.00 ATOM 308 N SER 42 -5.096 130.363 36.098 1.00 0.00 ATOM 309 CA SER 42 -5.581 131.746 36.011 1.00 0.00 ATOM 310 CB SER 42 -6.800 131.831 35.090 1.00 0.00 ATOM 311 OG SER 42 -7.901 131.126 35.636 1.00 0.00 ATOM 312 O SER 42 -5.840 133.525 37.552 1.00 0.00 ATOM 313 C SER 42 -5.990 132.295 37.353 1.00 0.00 ATOM 314 N ALA 43 -6.464 131.452 38.262 1.00 0.00 ATOM 315 CA ALA 43 -6.813 131.971 39.585 1.00 0.00 ATOM 316 CB ALA 43 -7.529 130.906 40.400 1.00 0.00 ATOM 317 O ALA 43 -5.870 133.181 41.349 1.00 0.00 ATOM 318 C ALA 43 -5.629 132.416 40.405 1.00 0.00 ATOM 319 N TYR 44 -4.437 131.941 40.070 1.00 0.00 ATOM 320 CA TYR 44 -3.223 132.279 40.834 1.00 0.00 ATOM 321 CB TYR 44 -2.409 131.019 41.133 1.00 0.00 ATOM 322 CG TYR 44 -3.136 130.012 41.997 1.00 0.00 ATOM 323 CD1 TYR 44 -3.678 128.858 41.443 1.00 0.00 ATOM 324 CD2 TYR 44 -3.276 130.218 43.363 1.00 0.00 ATOM 325 CE1 TYR 44 -4.342 127.934 42.226 1.00 0.00 ATOM 326 CE2 TYR 44 -3.937 129.304 44.161 1.00 0.00 ATOM 327 CZ TYR 44 -4.472 128.155 43.580 1.00 0.00 ATOM 328 OH TYR 44 -5.135 127.236 44.360 1.00 0.00 ATOM 329 O TYR 44 -1.188 133.517 40.436 1.00 0.00 ATOM 330 C TYR 44 -2.334 133.240 40.058 1.00 0.00 ATOM 331 N GLY 45 -2.866 133.691 38.925 1.00 0.00 ATOM 332 CA GLY 45 -2.168 134.665 38.074 1.00 0.00 ATOM 333 O GLY 45 0.024 134.821 37.114 1.00 0.00 ATOM 334 C GLY 45 -0.925 134.061 37.438 1.00 0.00 ATOM 335 N LEU 46 -0.936 132.766 37.188 1.00 0.00 ATOM 336 CA LEU 46 0.241 132.121 36.579 1.00 0.00 ATOM 337 CB LEU 46 0.110 130.598 36.646 1.00 0.00 ATOM 338 CG LEU 46 0.115 129.978 38.044 1.00 0.00 ATOM 339 CD1 LEU 46 -0.136 128.479 37.969 1.00 0.00 ATOM 340 CD2 LEU 46 1.456 130.201 38.727 1.00 0.00 ATOM 341 O LEU 46 -0.733 132.527 34.491 1.00 0.00 ATOM 342 C LEU 46 0.308 132.573 35.133 1.00 0.00 ATOM 343 N ARG 47 1.495 132.896 34.684 1.00 0.00 ATOM 344 CA ARG 47 1.663 133.463 33.339 1.00 0.00 ATOM 345 CB ARG 47 2.276 134.861 33.421 1.00 0.00 ATOM 346 CG ARG 47 1.378 135.896 34.076 1.00 0.00 ATOM 347 CD ARG 47 2.068 137.247 34.170 1.00 0.00 ATOM 348 NE ARG 47 1.265 138.223 34.904 1.00 0.00 ATOM 349 CZ ARG 47 1.652 139.469 35.158 1.00 0.00 ATOM 350 NH1 ARG 47 0.856 140.285 35.836 1.00 0.00 ATOM 351 NH2 ARG 47 2.835 139.895 34.737 1.00 0.00 ATOM 352 O ARG 47 2.557 132.716 31.260 1.00 0.00 ATOM 353 C ARG 47 2.573 132.590 32.506 1.00 0.00 ATOM 354 N VAL 48 5.111 128.596 32.546 1.00 0.00 ATOM 355 CA VAL 48 5.404 127.307 33.195 1.00 0.00 ATOM 356 CB VAL 48 4.476 126.191 32.679 1.00 0.00 ATOM 357 CG1 VAL 48 3.022 126.530 32.972 1.00 0.00 ATOM 358 CG2 VAL 48 4.636 126.018 31.177 1.00 0.00 ATOM 359 O VAL 48 7.382 127.265 31.803 1.00 0.00 ATOM 360 C VAL 48 6.849 126.915 32.899 1.00 0.00 ATOM 361 N PRO 49 7.503 126.190 33.769 1.00 0.00 ATOM 362 CA PRO 49 6.949 125.700 35.029 1.00 0.00 ATOM 363 CB PRO 49 7.951 124.637 35.486 1.00 0.00 ATOM 364 CG PRO 49 9.245 125.054 34.871 1.00 0.00 ATOM 365 CD PRO 49 8.896 125.658 33.538 1.00 0.00 ATOM 366 O PRO 49 7.666 127.758 36.048 1.00 0.00 ATOM 367 C PRO 49 6.837 126.847 36.033 1.00 0.00 ATOM 368 N VAL 50 5.795 126.707 36.843 1.00 0.00 ATOM 369 CA VAL 50 5.681 127.614 38.037 1.00 0.00 ATOM 370 CB VAL 50 4.487 128.578 37.901 1.00 0.00 ATOM 371 CG1 VAL 50 4.362 129.450 39.140 1.00 0.00 ATOM 372 CG2 VAL 50 4.668 129.483 36.691 1.00 0.00 ATOM 373 O VAL 50 4.669 125.733 39.055 1.00 0.00 ATOM 374 C VAL 50 5.486 126.687 39.244 1.00 0.00 ATOM 375 N LEU 51 6.169 126.955 40.322 1.00 0.00 ATOM 376 CA LEU 51 6.020 126.158 41.552 1.00 0.00 ATOM 377 CB LEU 51 7.390 125.741 42.091 1.00 0.00 ATOM 378 CG LEU 51 8.295 124.977 41.123 1.00 0.00 ATOM 379 CD1 LEU 51 9.657 124.721 41.751 1.00 0.00 ATOM 380 CD2 LEU 51 7.679 123.635 40.758 1.00 0.00 ATOM 381 O LEU 51 5.746 128.184 42.844 1.00 0.00 ATOM 382 C LEU 51 5.295 127.057 42.560 1.00 0.00 ATOM 383 N ARG 52 2.173 126.029 49.077 1.00 0.00 ATOM 384 CA ARG 52 1.002 126.352 49.920 1.00 0.00 ATOM 385 CB ARG 52 -0.256 125.673 49.374 1.00 0.00 ATOM 386 CG ARG 52 -0.747 126.245 48.055 1.00 0.00 ATOM 387 CD ARG 52 -2.027 125.564 47.600 1.00 0.00 ATOM 388 NE ARG 52 -1.791 124.191 47.162 1.00 0.00 ATOM 389 CZ ARG 52 -2.753 123.339 46.823 1.00 0.00 ATOM 390 NH1 ARG 52 -2.443 122.109 46.437 1.00 0.00 ATOM 391 NH2 ARG 52 -4.022 123.718 46.871 1.00 0.00 ATOM 392 O ARG 52 1.847 124.804 51.621 1.00 0.00 ATOM 393 C ARG 52 1.261 125.859 51.346 1.00 0.00 ATOM 394 N ASP 53 0.767 126.706 52.268 1.00 0.00 ATOM 395 CA ASP 53 0.726 126.337 53.699 1.00 0.00 ATOM 396 CB ASP 53 1.929 126.924 54.439 1.00 0.00 ATOM 397 CG ASP 53 3.232 126.243 54.067 1.00 0.00 ATOM 398 OD1 ASP 53 3.414 125.065 54.439 1.00 0.00 ATOM 399 OD2 ASP 53 4.070 126.889 53.402 1.00 0.00 ATOM 400 O ASP 53 -0.873 128.055 53.950 1.00 0.00 ATOM 401 C ASP 53 -0.585 126.912 54.264 1.00 0.00 ATOM 402 N PRO 54 -1.336 126.086 54.987 1.00 0.00 ATOM 403 CA PRO 54 -2.565 126.639 55.615 1.00 0.00 ATOM 404 CB PRO 54 -2.039 127.671 56.615 1.00 0.00 ATOM 405 CG PRO 54 -0.749 128.135 56.028 1.00 0.00 ATOM 406 CD PRO 54 -0.150 126.940 55.339 1.00 0.00 ATOM 407 O PRO 54 -4.095 128.335 55.044 1.00 0.00 ATOM 408 C PRO 54 -3.508 127.288 54.672 1.00 0.00 ATOM 409 N MET 55 -3.694 126.802 53.447 1.00 0.00 ATOM 410 CA MET 55 -4.658 127.275 52.495 1.00 0.00 ATOM 411 CB MET 55 -5.970 127.636 53.194 1.00 0.00 ATOM 412 CG MET 55 -6.610 126.480 53.947 1.00 0.00 ATOM 413 SD MET 55 -6.942 125.059 52.889 1.00 0.00 ATOM 414 CE MET 55 -8.301 125.683 51.903 1.00 0.00 ATOM 415 O MET 55 -5.152 129.047 50.956 1.00 0.00 ATOM 416 C MET 55 -4.284 128.508 51.698 1.00 0.00 ATOM 417 N GLY 56 -3.025 128.886 51.819 1.00 0.00 ATOM 418 CA GLY 56 -2.599 130.102 51.110 1.00 0.00 ATOM 419 O GLY 56 -0.468 129.109 51.002 1.00 0.00 ATOM 420 C GLY 56 -1.224 129.916 50.490 1.00 0.00 ATOM 421 N ARG 57 -0.989 130.700 49.434 1.00 0.00 ATOM 422 CA ARG 57 0.384 130.646 48.848 1.00 0.00 ATOM 423 CB ARG 57 0.431 131.406 47.521 1.00 0.00 ATOM 424 CG ARG 57 1.766 131.316 46.800 1.00 0.00 ATOM 425 CD ARG 57 1.726 132.049 45.469 1.00 0.00 ATOM 426 NE ARG 57 2.993 131.945 44.749 1.00 0.00 ATOM 427 CZ ARG 57 3.222 132.487 43.558 1.00 0.00 ATOM 428 NH1 ARG 57 4.405 132.341 42.979 1.00 0.00 ATOM 429 NH2 ARG 57 2.266 133.173 42.947 1.00 0.00 ATOM 430 O ARG 57 1.226 132.456 50.194 1.00 0.00 ATOM 431 C ARG 57 1.381 131.270 49.793 1.00 0.00 ATOM 432 N GLU 58 2.443 130.583 50.152 1.00 0.00 ATOM 433 CA GLU 58 3.490 131.053 51.012 1.00 0.00 ATOM 434 CB GLU 58 3.977 129.928 51.926 1.00 0.00 ATOM 435 CG GLU 58 2.946 129.461 52.941 1.00 0.00 ATOM 436 CD GLU 58 2.528 130.562 53.895 1.00 0.00 ATOM 437 OE1 GLU 58 3.411 131.128 54.572 1.00 0.00 ATOM 438 OE2 GLU 58 1.317 130.859 53.965 1.00 0.00 ATOM 439 O GLU 58 5.395 132.479 50.603 1.00 0.00 ATOM 440 C GLU 58 4.677 131.555 50.165 1.00 0.00 ATOM 441 N LEU 59 7.903 130.203 42.758 1.00 0.00 ATOM 442 CA LEU 59 9.152 130.245 41.960 1.00 0.00 ATOM 443 CB LEU 59 10.147 129.198 42.465 1.00 0.00 ATOM 444 CG LEU 59 11.523 129.195 41.799 1.00 0.00 ATOM 445 CD1 LEU 59 12.264 130.492 42.087 1.00 0.00 ATOM 446 CD2 LEU 59 12.369 128.040 42.318 1.00 0.00 ATOM 447 O LEU 59 8.118 128.940 40.217 1.00 0.00 ATOM 448 C LEU 59 8.776 129.955 40.522 1.00 0.00 ATOM 449 N ASP 60 9.140 130.868 39.636 1.00 0.00 ATOM 450 CA ASP 60 8.852 130.691 38.203 1.00 0.00 ATOM 451 CB ASP 60 8.369 132.005 37.586 1.00 0.00 ATOM 452 CG ASP 60 6.987 132.400 38.066 1.00 0.00 ATOM 453 OD1 ASP 60 6.299 131.547 38.667 1.00 0.00 ATOM 454 OD2 ASP 60 6.589 133.562 37.843 1.00 0.00 ATOM 455 O ASP 60 11.197 130.806 37.660 1.00 0.00 ATOM 456 C ASP 60 10.104 130.239 37.441 1.00 0.00 ATOM 457 N TRP 61 9.960 129.238 36.596 1.00 0.00 ATOM 458 CA TRP 61 11.100 128.842 35.747 1.00 0.00 ATOM 459 CB TRP 61 12.096 129.996 35.614 1.00 0.00 ATOM 460 CG TRP 61 11.555 131.171 34.858 1.00 0.00 ATOM 461 CD1 TRP 61 11.076 132.335 35.386 1.00 0.00 ATOM 462 CD2 TRP 61 11.438 131.295 33.435 1.00 0.00 ATOM 463 CE2 TRP 61 10.879 132.561 33.173 1.00 0.00 ATOM 464 CE3 TRP 61 11.749 130.461 32.358 1.00 0.00 ATOM 465 NE1 TRP 61 10.667 133.178 34.381 1.00 0.00 ATOM 466 CZ2 TRP 61 10.627 133.014 31.879 1.00 0.00 ATOM 467 CZ3 TRP 61 11.497 130.912 31.076 1.00 0.00 ATOM 468 CH2 TRP 61 10.942 132.175 30.845 1.00 0.00 ATOM 469 O TRP 61 11.729 127.299 37.484 1.00 0.00 ATOM 470 C TRP 61 11.852 127.674 36.287 1.00 0.00 ATOM 471 N PRO 62 12.612 127.012 35.404 1.00 0.00 ATOM 472 CA PRO 62 13.408 125.866 35.895 1.00 0.00 ATOM 473 CB PRO 62 14.003 125.257 34.623 1.00 0.00 ATOM 474 CG PRO 62 14.101 126.402 33.672 1.00 0.00 ATOM 475 CD PRO 62 12.904 127.270 33.941 1.00 0.00 ATOM 476 O PRO 62 14.925 127.485 36.926 1.00 0.00 ATOM 477 C PRO 62 14.502 126.309 36.853 1.00 0.00 ATOM 478 N PHE 63 14.967 125.366 37.633 1.00 0.00 ATOM 479 CA PHE 63 15.980 125.548 38.671 1.00 0.00 ATOM 480 CB PHE 63 15.343 126.088 39.953 1.00 0.00 ATOM 481 CG PHE 63 14.328 125.163 40.561 1.00 0.00 ATOM 482 CD1 PHE 63 14.695 124.248 41.532 1.00 0.00 ATOM 483 CD2 PHE 63 13.003 125.207 40.161 1.00 0.00 ATOM 484 CE1 PHE 63 13.759 123.398 42.091 1.00 0.00 ATOM 485 CE2 PHE 63 12.067 124.357 40.718 1.00 0.00 ATOM 486 CZ PHE 63 12.440 123.455 41.680 1.00 0.00 ATOM 487 O PHE 63 16.050 123.160 38.563 1.00 0.00 ATOM 488 C PHE 63 16.623 124.190 38.948 1.00 0.00 ATOM 489 N ASP 64 17.758 124.234 39.579 1.00 0.00 ATOM 490 CA ASP 64 18.516 123.019 39.942 1.00 0.00 ATOM 491 CB ASP 64 20.005 123.340 40.085 1.00 0.00 ATOM 492 CG ASP 64 20.679 123.583 38.750 1.00 0.00 ATOM 493 OD1 ASP 64 20.052 123.301 37.707 1.00 0.00 ATOM 494 OD2 ASP 64 21.835 124.057 38.745 1.00 0.00 ATOM 495 O ASP 64 17.313 123.171 42.025 1.00 0.00 ATOM 496 C ASP 64 18.017 122.461 41.257 1.00 0.00 ATOM 497 N ALA 65 18.364 121.191 41.512 1.00 0.00 ATOM 498 CA ALA 65 18.003 120.628 42.823 1.00 0.00 ATOM 499 CB ALA 65 18.591 119.234 42.980 1.00 0.00 ATOM 500 O ALA 65 17.781 121.634 44.997 1.00 0.00 ATOM 501 C ALA 65 18.510 121.460 43.999 1.00 0.00 ATOM 502 N PRO 66 19.753 121.959 43.924 1.00 0.00 ATOM 503 CA PRO 66 20.289 122.742 45.052 1.00 0.00 ATOM 504 CB PRO 66 21.735 123.038 44.643 1.00 0.00 ATOM 505 CG PRO 66 22.108 121.904 43.749 1.00 0.00 ATOM 506 CD PRO 66 20.884 121.591 42.937 1.00 0.00 ATOM 507 O PRO 66 19.263 124.384 46.411 1.00 0.00 ATOM 508 C PRO 66 19.486 124.030 45.248 1.00 0.00 ATOM 509 N ARG 67 19.088 124.667 44.208 1.00 0.00 ATOM 510 CA ARG 67 18.292 125.914 44.281 1.00 0.00 ATOM 511 CB ARG 67 18.123 126.524 42.887 1.00 0.00 ATOM 512 CG ARG 67 19.395 127.125 42.315 1.00 0.00 ATOM 513 CD ARG 67 19.176 127.641 40.902 1.00 0.00 ATOM 514 NE ARG 67 20.392 128.219 40.335 1.00 0.00 ATOM 515 CZ ARG 67 20.494 128.670 39.088 1.00 0.00 ATOM 516 NH1 ARG 67 21.641 129.180 38.660 1.00 0.00 ATOM 517 NH2 ARG 67 19.451 128.611 38.274 1.00 0.00 ATOM 518 O ARG 67 16.423 126.330 45.692 1.00 0.00 ATOM 519 C ARG 67 16.932 125.577 44.855 1.00 0.00 ATOM 520 N LEU 68 16.368 124.440 44.422 1.00 0.00 ATOM 521 CA LEU 68 15.026 124.087 44.959 1.00 0.00 ATOM 522 CB LEU 68 14.510 122.804 44.306 1.00 0.00 ATOM 523 CG LEU 68 13.125 122.327 44.752 1.00 0.00 ATOM 524 CD1 LEU 68 12.066 123.367 44.423 1.00 0.00 ATOM 525 CD2 LEU 68 12.752 121.030 44.051 1.00 0.00 ATOM 526 O LEU 68 14.212 124.267 47.284 1.00 0.00 ATOM 527 C LEU 68 15.077 123.863 46.465 1.00 0.00 ATOM 528 N ARG 69 16.118 123.146 46.901 1.00 0.00 ATOM 529 CA ARG 69 16.300 122.865 48.326 1.00 0.00 ATOM 530 CB ARG 69 17.573 122.048 48.552 1.00 0.00 ATOM 531 CG ARG 69 17.482 120.610 48.067 1.00 0.00 ATOM 532 CD ARG 69 18.802 119.879 48.256 1.00 0.00 ATOM 533 NE ARG 69 18.740 118.504 47.767 1.00 0.00 ATOM 534 CZ ARG 69 19.776 117.671 47.747 1.00 0.00 ATOM 535 NH1 ARG 69 19.626 116.438 47.285 1.00 0.00 ATOM 536 NH2 ARG 69 20.959 118.075 48.187 1.00 0.00 ATOM 537 O ARG 69 15.802 124.313 50.172 1.00 0.00 ATOM 538 C ARG 69 16.414 124.155 49.111 1.00 0.00 ATOM 539 N ALA 70 17.182 125.101 48.573 1.00 0.00 ATOM 540 CA ALA 70 17.319 126.384 49.313 1.00 0.00 ATOM 541 CB ALA 70 18.331 127.287 48.624 1.00 0.00 ATOM 542 O ALA 70 15.648 127.767 50.409 1.00 0.00 ATOM 543 C ALA 70 16.001 127.147 49.392 1.00 0.00 ATOM 544 N TRP 71 15.274 127.120 48.292 1.00 0.00 ATOM 545 CA TRP 71 13.949 127.750 48.247 1.00 0.00 ATOM 546 CB TRP 71 13.330 127.594 46.857 1.00 0.00 ATOM 547 CG TRP 71 11.979 128.229 46.728 1.00 0.00 ATOM 548 CD1 TRP 71 11.712 129.533 46.425 1.00 0.00 ATOM 549 CD2 TRP 71 10.709 127.588 46.898 1.00 0.00 ATOM 550 CE2 TRP 71 9.716 128.565 46.684 1.00 0.00 ATOM 551 CE3 TRP 71 10.314 126.285 47.210 1.00 0.00 ATOM 552 NE1 TRP 71 10.355 129.745 46.396 1.00 0.00 ATOM 553 CZ2 TRP 71 8.354 128.278 46.771 1.00 0.00 ATOM 554 CZ3 TRP 71 8.962 126.004 47.295 1.00 0.00 ATOM 555 CH2 TRP 71 7.998 126.994 47.077 1.00 0.00 ATOM 556 O TRP 71 12.320 127.798 49.983 1.00 0.00 ATOM 557 C TRP 71 13.045 127.075 49.283 1.00 0.00 ATOM 558 N LEU 72 13.065 125.735 49.348 1.00 0.00 ATOM 559 CA LEU 72 12.192 125.081 50.363 1.00 0.00 ATOM 560 CB LEU 72 12.230 123.560 50.202 1.00 0.00 ATOM 561 CG LEU 72 11.562 122.993 48.948 1.00 0.00 ATOM 562 CD1 LEU 72 11.837 121.503 48.818 1.00 0.00 ATOM 563 CD2 LEU 72 10.056 123.196 49.006 1.00 0.00 ATOM 564 O LEU 72 11.794 125.703 52.672 1.00 0.00 ATOM 565 C LEU 72 12.613 125.393 51.777 1.00 0.00 ATOM 566 N ASP 73 13.917 125.276 52.003 1.00 0.00 ATOM 567 CA ASP 73 14.418 125.481 53.394 1.00 0.00 ATOM 568 CB ASP 73 15.936 125.295 53.450 1.00 0.00 ATOM 569 CG ASP 73 16.351 123.843 53.319 1.00 0.00 ATOM 570 OD1 ASP 73 15.470 122.962 53.419 1.00 0.00 ATOM 571 OD2 ASP 73 17.556 123.585 53.116 1.00 0.00 ATOM 572 O ASP 73 13.847 127.038 55.095 1.00 0.00 ATOM 573 C ASP 73 14.098 126.877 53.898 1.00 0.00 ATOM 574 N ALA 74 14.107 127.879 53.042 1.00 0.00 ATOM 575 CA ALA 74 13.742 129.250 53.376 1.00 0.00 ATOM 576 CB ALA 74 13.929 130.157 52.170 1.00 0.00 ATOM 577 O ALA 74 11.979 130.386 54.495 1.00 0.00 ATOM 578 C ALA 74 12.299 129.385 53.821 1.00 0.00 ATOM 579 N ALA 75 11.454 128.432 53.408 1.00 0.00 ATOM 580 CA ALA 75 10.043 128.547 53.706 1.00 0.00 ATOM 581 CB ALA 75 9.222 128.455 52.430 1.00 0.00 ATOM 582 O ALA 75 8.330 127.642 54.958 1.00 0.00 ATOM 583 C ALA 75 9.534 127.468 54.637 1.00 0.00 ATOM 584 N PRO 76 10.311 126.480 54.973 1.00 0.00 ATOM 585 CA PRO 76 9.645 125.380 55.747 1.00 0.00 ATOM 586 CB PRO 76 10.301 124.104 55.215 1.00 0.00 ATOM 587 CG PRO 76 11.722 124.488 54.973 1.00 0.00 ATOM 588 CD PRO 76 11.693 125.909 54.483 1.00 0.00 ATOM 589 O PRO 76 9.158 124.887 58.034 1.00 0.00 ATOM 590 C PRO 76 9.879 125.545 57.243 1.00 0.00 TER END