PFRMAT TS TARGET T0224 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 model is the result of sidechain replacement on the backbone of METHOD our top-scoring template with sam-t02 (1jx7A), which was third best METHOD with sam-t04. Sidechain optimization was done METHOD with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0224-1jx7A-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD REMARK 6 REMARK 6 T0224 model 4 Mon Aug 16 08:34:55 2004 MODEL 4 PARENT 1jx7_A ATOM 2 N ALA 2 12.355 -3.066 2.050 1.00 0.00 ATOM 3 CA ALA 2 11.080 -2.916 1.377 1.00 0.00 ATOM 4 CB ALA 2 11.089 -3.662 0.050 1.00 0.00 ATOM 5 O ALA 2 10.203 -4.547 2.918 1.00 0.00 ATOM 6 C ALA 2 10.011 -3.495 2.292 1.00 0.00 ATOM 7 N LEU 3 8.885 -2.789 2.389 1.00 0.00 ATOM 8 CA LEU 3 7.774 -3.249 3.208 1.00 0.00 ATOM 9 CB LEU 3 7.484 -2.249 4.329 1.00 0.00 ATOM 10 CG LEU 3 8.622 -1.995 5.320 1.00 0.00 ATOM 11 CD1 LEU 3 8.247 -0.888 6.296 1.00 0.00 ATOM 12 CD2 LEU 3 8.928 -3.250 6.120 1.00 0.00 ATOM 13 O LEU 3 6.200 -2.458 1.587 1.00 0.00 ATOM 14 C LEU 3 6.556 -3.381 2.311 1.00 0.00 ATOM 15 N VAL 4 5.915 -4.536 2.338 1.00 0.00 ATOM 16 CA VAL 4 4.728 -4.723 1.526 1.00 0.00 ATOM 17 CB VAL 4 4.837 -5.984 0.649 1.00 0.00 ATOM 18 CG1 VAL 4 6.015 -5.868 -0.306 1.00 0.00 ATOM 19 CG2 VAL 4 5.037 -7.219 1.513 1.00 0.00 ATOM 20 O VAL 4 3.700 -5.227 3.636 1.00 0.00 ATOM 21 C VAL 4 3.538 -4.864 2.471 1.00 0.00 ATOM 22 N LEU 5 2.352 -4.546 1.976 1.00 0.00 ATOM 23 CA LEU 5 1.147 -4.634 2.781 1.00 0.00 ATOM 24 CB LEU 5 0.846 -3.289 3.443 1.00 0.00 ATOM 25 CG LEU 5 1.839 -2.820 4.510 1.00 0.00 ATOM 26 CD1 LEU 5 1.556 -1.382 4.911 1.00 0.00 ATOM 27 CD2 LEU 5 1.742 -3.689 5.754 1.00 0.00 ATOM 28 O LEU 5 -0.249 -4.503 0.821 1.00 0.00 ATOM 29 C LEU 5 -0.057 -5.025 1.926 1.00 0.00 ATOM 30 N VAL 6 -0.865 -5.947 2.454 1.00 0.00 ATOM 31 CA VAL 6 -2.056 -6.451 1.770 1.00 0.00 ATOM 32 CB VAL 6 -2.053 -7.989 1.687 1.00 0.00 ATOM 33 CG1 VAL 6 -0.834 -8.478 0.920 1.00 0.00 ATOM 34 CG2 VAL 6 -2.018 -8.597 3.082 1.00 0.00 ATOM 35 O VAL 6 -4.401 -5.951 1.903 1.00 0.00 ATOM 36 C VAL 6 -3.328 -6.031 2.500 1.00 0.00 ATOM 37 N LYS 7 -3.201 -5.751 3.794 1.00 0.00 ATOM 38 CA LYS 7 -4.354 -5.400 4.602 1.00 0.00 ATOM 39 CB LYS 7 -3.953 -5.250 6.071 1.00 0.00 ATOM 40 CG LYS 7 -3.470 -6.538 6.716 1.00 0.00 ATOM 41 CD LYS 7 -4.593 -7.557 6.823 1.00 0.00 ATOM 42 CE LYS 7 -4.126 -8.821 7.526 1.00 0.00 ATOM 43 NZ LYS 7 -5.190 -9.863 7.559 1.00 0.00 ATOM 44 O LYS 7 -4.595 -3.061 4.070 1.00 0.00 ATOM 45 C LYS 7 -5.153 -4.123 4.349 1.00 0.00 ATOM 46 N TYR 8 -6.469 -4.240 4.471 1.00 0.00 ATOM 47 CA TYR 8 -7.362 -3.096 4.299 1.00 0.00 ATOM 48 CB TYR 8 -8.813 -3.564 4.168 1.00 0.00 ATOM 49 CG TYR 8 -9.810 -2.439 4.015 1.00 0.00 ATOM 50 CD1 TYR 8 -9.941 -1.765 2.808 1.00 0.00 ATOM 51 CD2 TYR 8 -10.616 -2.052 5.079 1.00 0.00 ATOM 52 CE1 TYR 8 -10.849 -0.732 2.657 1.00 0.00 ATOM 53 CE2 TYR 8 -11.530 -1.023 4.948 1.00 0.00 ATOM 54 CZ TYR 8 -11.641 -0.364 3.724 1.00 0.00 ATOM 55 OH TYR 8 -12.545 0.663 3.578 1.00 0.00 ATOM 56 O TYR 8 -7.142 -2.705 6.652 1.00 0.00 ATOM 57 C TYR 8 -7.214 -2.207 5.523 1.00 0.00 ATOM 58 N GLY 9 -7.159 -0.887 5.319 1.00 0.00 ATOM 59 CA GLY 9 -7.016 0.042 6.445 1.00 0.00 ATOM 60 O GLY 9 -9.257 -0.459 7.106 1.00 0.00 ATOM 61 C GLY 9 -8.126 -0.143 7.470 1.00 0.00 ATOM 62 N THR 10 -7.820 0.032 8.743 1.00 0.00 ATOM 63 CA THR 10 -8.795 -0.024 9.834 1.00 0.00 ATOM 64 CB THR 10 -9.904 1.030 9.654 1.00 0.00 ATOM 65 CG2 THR 10 -9.306 2.427 9.592 1.00 0.00 ATOM 66 OG1 THR 10 -10.615 0.775 8.436 1.00 0.00 ATOM 67 O THR 10 -9.970 -1.556 11.221 1.00 0.00 ATOM 68 C THR 10 -9.585 -1.295 10.087 1.00 0.00 ATOM 69 N ASP 11 -9.820 -2.054 9.048 1.00 0.00 ATOM 70 CA ASP 11 -10.587 -3.262 9.218 1.00 0.00 ATOM 71 CB ASP 11 -11.134 -3.744 7.873 1.00 0.00 ATOM 72 CG ASP 11 -12.074 -4.925 8.014 1.00 0.00 ATOM 73 OD1 ASP 11 -13.099 -4.787 8.713 1.00 0.00 ATOM 74 OD2 ASP 11 -11.786 -5.988 7.425 1.00 0.00 ATOM 75 O ASP 11 -10.062 -5.108 10.646 1.00 0.00 ATOM 76 C ASP 11 -9.657 -4.306 9.806 1.00 0.00 ATOM 77 N HIS 12 -8.441 -4.267 9.342 1.00 0.00 ATOM 78 CA HIS 12 -7.407 -5.186 9.801 1.00 0.00 ATOM 79 CB HIS 12 -6.544 -5.650 8.626 1.00 0.00 ATOM 80 CG HIS 12 -7.300 -6.420 7.590 1.00 0.00 ATOM 81 CD2 HIS 12 -7.760 -6.159 6.232 1.00 0.00 ATOM 82 ND1 HIS 12 -7.751 -7.706 7.796 1.00 0.00 ATOM 83 CE1 HIS 12 -8.390 -8.129 6.691 1.00 0.00 ATOM 84 NE2 HIS 12 -8.401 -7.206 5.749 1.00 0.00 ATOM 85 O HIS 12 -6.788 -3.361 11.233 1.00 0.00 ATOM 86 C HIS 12 -6.521 -4.488 10.815 1.00 0.00 ATOM 87 N PRO 13 -5.454 -5.171 11.212 1.00 0.00 ATOM 88 CA PRO 13 -4.497 -4.607 12.153 1.00 0.00 ATOM 89 CB PRO 13 -4.572 -5.543 13.361 1.00 0.00 ATOM 90 CG PRO 13 -4.987 -6.858 12.791 1.00 0.00 ATOM 91 CD PRO 13 -5.914 -6.543 11.650 1.00 0.00 ATOM 92 O PRO 13 -2.260 -3.807 11.713 1.00 0.00 ATOM 93 C PRO 13 -3.135 -4.630 11.446 1.00 0.00 ATOM 94 N VAL 14 -2.985 -5.588 10.545 1.00 0.00 ATOM 95 CA VAL 14 -1.749 -5.777 9.810 1.00 0.00 ATOM 96 CB VAL 14 -1.911 -6.823 8.691 1.00 0.00 ATOM 97 CG1 VAL 14 -0.676 -6.850 7.804 1.00 0.00 ATOM 98 CG2 VAL 14 -2.109 -8.209 9.283 1.00 0.00 ATOM 99 O VAL 14 -0.052 -4.204 9.225 1.00 0.00 ATOM 100 C VAL 14 -1.236 -4.512 9.135 1.00 0.00 ATOM 101 N GLU 15 -2.112 -3.778 8.463 1.00 0.00 ATOM 102 CA GLU 15 -1.702 -2.560 7.782 1.00 0.00 ATOM 103 CB GLU 15 -2.884 -1.945 7.029 1.00 0.00 ATOM 104 CG GLU 15 -2.546 -0.663 6.285 1.00 0.00 ATOM 105 CD GLU 15 -1.593 -0.894 5.130 1.00 0.00 ATOM 106 OE1 GLU 15 -1.375 -2.069 4.765 1.00 0.00 ATOM 107 OE2 GLU 15 -1.064 0.099 4.587 1.00 0.00 ATOM 108 O GLU 15 -0.123 -0.960 8.634 1.00 0.00 ATOM 109 C GLU 15 -1.190 -1.554 8.806 1.00 0.00 ATOM 110 N LYS 16 -1.962 -1.369 9.874 1.00 0.00 ATOM 111 CA LYS 16 -1.603 -0.449 10.939 1.00 0.00 ATOM 112 CB LYS 16 -2.628 -0.518 12.074 1.00 0.00 ATOM 113 CG LYS 16 -3.983 0.070 11.722 1.00 0.00 ATOM 114 CD LYS 16 -4.950 -0.028 12.891 1.00 0.00 ATOM 115 CE LYS 16 -6.313 0.538 12.531 1.00 0.00 ATOM 116 NZ LYS 16 -7.279 0.417 13.659 1.00 0.00 ATOM 117 O LYS 16 0.610 0.067 11.714 1.00 0.00 ATOM 118 C LYS 16 -0.229 -0.812 11.495 1.00 0.00 ATOM 119 N LEU 17 0.007 -2.098 11.721 1.00 0.00 ATOM 120 CA LEU 17 1.294 -2.536 12.247 1.00 0.00 ATOM 121 CB LEU 17 1.276 -4.041 12.521 1.00 0.00 ATOM 122 CG LEU 17 0.398 -4.507 13.686 1.00 0.00 ATOM 123 CD1 LEU 17 0.330 -6.026 13.733 1.00 0.00 ATOM 124 CD2 LEU 17 0.958 -4.015 15.011 1.00 0.00 ATOM 125 O LEU 17 3.550 -1.928 11.714 1.00 0.00 ATOM 126 C LEU 17 2.450 -2.266 11.284 1.00 0.00 ATOM 127 N LYS 18 2.198 -2.420 9.989 1.00 0.00 ATOM 128 CA LYS 18 3.215 -2.200 8.980 1.00 0.00 ATOM 129 CB LYS 18 2.640 -2.426 7.581 1.00 0.00 ATOM 130 CG LYS 18 2.279 -3.872 7.284 1.00 0.00 ATOM 131 CD LYS 18 3.516 -4.754 7.244 1.00 0.00 ATOM 132 CE LYS 18 3.159 -6.193 6.909 1.00 0.00 ATOM 133 NZ LYS 18 4.345 -7.089 6.976 1.00 0.00 ATOM 134 O LYS 18 4.936 -0.568 9.055 1.00 0.00 ATOM 135 C LYS 18 3.734 -0.788 9.065 1.00 0.00 ATOM 136 N ILE 19 2.807 0.156 9.150 1.00 0.00 ATOM 137 CA ILE 19 3.128 1.578 9.228 1.00 0.00 ATOM 138 CB ILE 19 1.864 2.449 9.106 1.00 0.00 ATOM 139 CG1 ILE 19 1.269 2.335 7.701 1.00 0.00 ATOM 140 CG2 ILE 19 2.196 3.910 9.372 1.00 0.00 ATOM 141 CD1 ILE 19 -0.109 2.944 7.569 1.00 0.00 ATOM 142 O ILE 19 4.704 2.782 10.584 1.00 0.00 ATOM 143 C ILE 19 3.799 1.952 10.546 1.00 0.00 ATOM 144 N ARG 20 3.349 1.332 11.632 1.00 0.00 ATOM 145 CA ARG 20 3.915 1.610 12.938 1.00 0.00 ATOM 146 CB ARG 20 3.141 0.864 14.026 1.00 0.00 ATOM 147 CG ARG 20 1.748 1.415 14.285 1.00 0.00 ATOM 148 CD ARG 20 1.008 0.583 15.320 1.00 0.00 ATOM 149 NE ARG 20 -0.336 1.096 15.576 1.00 0.00 ATOM 150 CZ ARG 20 -1.219 0.510 16.377 1.00 0.00 ATOM 151 NH1 ARG 20 -2.418 1.050 16.550 1.00 0.00 ATOM 152 NH2 ARG 20 -0.902 -0.616 17.003 1.00 0.00 ATOM 153 O ARG 20 6.228 1.828 13.472 1.00 0.00 ATOM 154 C ARG 20 5.369 1.149 12.945 1.00 0.00 ATOM 155 N SER 21 5.638 -0.004 12.327 1.00 0.00 ATOM 156 CA SER 21 6.985 -0.557 12.259 1.00 0.00 ATOM 157 CB SER 21 6.949 -1.993 11.731 1.00 0.00 ATOM 158 OG SER 21 6.287 -2.855 12.640 1.00 0.00 ATOM 159 O SER 21 9.019 0.524 11.562 1.00 0.00 ATOM 160 C SER 21 7.829 0.304 11.320 1.00 0.00 ATOM 161 N ALA 22 7.207 0.781 10.252 1.00 0.00 ATOM 162 CA ALA 22 7.875 1.616 9.258 1.00 0.00 ATOM 163 CB ALA 22 6.923 1.952 8.122 1.00 0.00 ATOM 164 O ALA 22 9.513 3.338 9.646 1.00 0.00 ATOM 165 C ALA 22 8.370 2.938 9.855 1.00 0.00 ATOM 169 N GLU 25 18.392 7.840 8.104 1.00 0.00 ATOM 170 CA GLU 25 18.791 7.687 6.708 1.00 0.00 ATOM 171 CB GLU 25 20.314 7.769 6.576 1.00 0.00 ATOM 172 CG GLU 25 20.900 9.113 6.981 1.00 0.00 ATOM 173 CD GLU 25 22.415 9.127 6.924 1.00 0.00 ATOM 174 OE1 GLU 25 23.007 8.080 6.587 1.00 0.00 ATOM 175 OE2 GLU 25 23.011 10.185 7.216 1.00 0.00 ATOM 176 O GLU 25 18.660 6.105 4.908 1.00 0.00 ATOM 177 C GLU 25 18.372 6.363 6.080 1.00 0.00 ATOM 178 N ASP 26 14.025 3.290 3.049 1.00 0.00 ATOM 179 CA ASP 26 12.801 2.528 3.257 1.00 0.00 ATOM 180 CB ASP 26 12.142 2.923 4.580 1.00 0.00 ATOM 181 CG ASP 26 12.891 2.391 5.785 1.00 0.00 ATOM 182 OD1 ASP 26 13.806 1.560 5.598 1.00 0.00 ATOM 183 OD2 ASP 26 12.565 2.804 6.917 1.00 0.00 ATOM 184 O ASP 26 11.544 3.927 1.783 1.00 0.00 ATOM 185 C ASP 26 11.806 2.778 2.145 1.00 0.00 ATOM 186 N LYS 27 11.248 1.694 1.609 1.00 0.00 ATOM 187 CA LYS 27 10.266 1.768 0.531 1.00 0.00 ATOM 188 CB LYS 27 10.839 1.172 -0.757 1.00 0.00 ATOM 189 CG LYS 27 12.009 1.952 -1.335 1.00 0.00 ATOM 190 CD LYS 27 12.500 1.331 -2.633 1.00 0.00 ATOM 191 CE LYS 27 13.714 2.068 -3.173 1.00 0.00 ATOM 192 NZ LYS 27 14.206 1.468 -4.444 1.00 0.00 ATOM 193 O LYS 27 9.166 -0.128 1.510 1.00 0.00 ATOM 194 C LYS 27 9.040 0.978 0.967 1.00 0.00 ATOM 195 N ILE 28 7.864 1.544 0.711 1.00 0.00 ATOM 196 CA ILE 28 6.586 0.938 1.079 1.00 0.00 ATOM 197 CB ILE 28 5.769 1.860 2.004 1.00 0.00 ATOM 198 CG1 ILE 28 6.542 2.139 3.295 1.00 0.00 ATOM 199 CG2 ILE 28 4.442 1.211 2.367 1.00 0.00 ATOM 200 CD1 ILE 28 5.903 3.193 4.173 1.00 0.00 ATOM 201 O ILE 28 5.402 1.544 -0.900 1.00 0.00 ATOM 202 C ILE 28 5.724 0.646 -0.129 1.00 0.00 ATOM 203 N VAL 29 5.334 -0.605 -0.289 1.00 0.00 ATOM 204 CA VAL 29 4.479 -0.968 -1.400 1.00 0.00 ATOM 205 CB VAL 29 5.105 -2.089 -2.250 1.00 0.00 ATOM 206 CG1 VAL 29 4.165 -2.491 -3.376 1.00 0.00 ATOM 207 CG2 VAL 29 6.416 -1.622 -2.865 1.00 0.00 ATOM 208 O VAL 29 3.172 -2.128 0.212 1.00 0.00 ATOM 209 C VAL 29 3.167 -1.445 -0.808 1.00 0.00 ATOM 210 N LEU 30 2.052 -1.082 -1.423 1.00 0.00 ATOM 211 CA LEU 30 0.754 -1.526 -0.925 1.00 0.00 ATOM 212 CB LEU 30 -0.072 -0.333 -0.442 1.00 0.00 ATOM 213 CG LEU 30 0.531 0.496 0.694 1.00 0.00 ATOM 214 CD1 LEU 30 -0.327 1.718 0.983 1.00 0.00 ATOM 215 CD2 LEU 30 0.626 -0.330 1.969 1.00 0.00 ATOM 216 O LEU 30 -0.298 -1.640 -3.070 1.00 0.00 ATOM 217 C LEU 30 -0.010 -2.235 -2.032 1.00 0.00 ATOM 218 N ILE 31 -0.335 -3.510 -1.799 1.00 0.00 ATOM 219 CA ILE 31 -1.071 -4.316 -2.768 1.00 0.00 ATOM 220 CB ILE 31 -0.462 -5.724 -2.911 1.00 0.00 ATOM 221 CG1 ILE 31 -0.543 -6.476 -1.582 1.00 0.00 ATOM 222 CG2 ILE 31 0.999 -5.632 -3.325 1.00 0.00 ATOM 223 CD1 ILE 31 -0.212 -7.949 -1.691 1.00 0.00 ATOM 224 O ILE 31 -2.941 -4.043 -1.291 1.00 0.00 ATOM 225 C ILE 31 -2.526 -4.486 -2.353 1.00 0.00 ATOM 226 N GLN 32 -3.291 -5.144 -3.225 1.00 0.00 ATOM 227 CA GLN 32 -4.671 -5.435 -2.985 1.00 0.00 ATOM 228 CB GLN 32 -4.818 -6.769 -2.251 1.00 0.00 ATOM 229 CG GLN 32 -4.426 -7.980 -3.081 1.00 0.00 ATOM 230 CD GLN 32 -4.508 -9.275 -2.295 1.00 0.00 ATOM 231 OE1 GLN 32 -4.860 -9.276 -1.115 1.00 0.00 ATOM 232 NE2 GLN 32 -4.183 -10.384 -2.950 1.00 0.00 ATOM 233 O GLN 32 -5.364 -3.215 -2.439 1.00 0.00 ATOM 234 C GLN 32 -5.418 -4.410 -2.139 1.00 0.00 ATOM 235 N ASN 33 -6.108 -4.834 -1.083 1.00 0.00 ATOM 236 CA ASN 33 -6.768 -4.014 -0.074 1.00 0.00 ATOM 237 CB ASN 33 -7.161 -4.867 1.135 1.00 0.00 ATOM 238 CG ASN 33 -8.339 -5.778 0.848 1.00 0.00 ATOM 239 ND2 ASN 33 -8.541 -6.769 1.708 1.00 0.00 ATOM 240 OD1 ASN 33 -9.055 -5.590 -0.135 1.00 0.00 ATOM 241 O ASN 33 -6.752 -1.784 0.825 1.00 0.00 ATOM 242 C ASN 33 -6.092 -2.815 0.598 1.00 0.00 ATOM 243 N GLY 34 -4.805 -2.916 0.910 1.00 0.00 ATOM 244 CA GLY 34 -4.084 -1.823 1.570 1.00 0.00 ATOM 245 O GLY 34 -3.516 0.459 1.107 1.00 0.00 ATOM 246 C GLY 34 -4.009 -0.581 0.692 1.00 0.00 ATOM 247 N VAL 35 -4.526 -0.694 -0.523 1.00 0.00 ATOM 248 CA VAL 35 -4.479 0.383 -1.488 1.00 0.00 ATOM 249 CB VAL 35 -4.794 -0.120 -2.909 1.00 0.00 ATOM 250 CG1 VAL 35 -3.837 -1.232 -3.307 1.00 0.00 ATOM 251 CG2 VAL 35 -6.215 -0.660 -2.980 1.00 0.00 ATOM 252 O VAL 35 -5.188 2.662 -1.664 1.00 0.00 ATOM 253 C VAL 35 -5.447 1.530 -1.253 1.00 0.00 ATOM 254 N PHE 36 -6.577 1.246 -0.594 1.00 0.00 ATOM 255 CA PHE 36 -7.552 2.294 -0.318 1.00 0.00 ATOM 256 CB PHE 36 -8.868 1.686 0.171 1.00 0.00 ATOM 257 CG PHE 36 -10.004 2.668 0.230 1.00 0.00 ATOM 258 CD1 PHE 36 -10.590 3.141 -0.930 1.00 0.00 ATOM 259 CD2 PHE 36 -10.487 3.116 1.448 1.00 0.00 ATOM 260 CE1 PHE 36 -11.635 4.044 -0.875 1.00 0.00 ATOM 261 CE2 PHE 36 -11.532 4.019 1.502 1.00 0.00 ATOM 262 CZ PHE 36 -12.105 4.484 0.348 1.00 0.00 ATOM 263 O PHE 36 -7.477 4.342 0.928 1.00 0.00 ATOM 264 C PHE 36 -6.995 3.217 0.759 1.00 0.00 ATOM 265 N TRP 37 -5.962 2.742 1.458 1.00 0.00 ATOM 266 CA TRP 37 -5.291 3.513 2.508 1.00 0.00 ATOM 267 CB TRP 37 -4.155 2.697 3.129 1.00 0.00 ATOM 268 CG TRP 37 -4.631 1.575 4.000 1.00 0.00 ATOM 269 CD1 TRP 37 -4.666 0.248 3.681 1.00 0.00 ATOM 270 CD2 TRP 37 -5.136 1.681 5.336 1.00 0.00 ATOM 271 CE2 TRP 37 -5.460 0.378 5.764 1.00 0.00 ATOM 272 CE3 TRP 37 -5.348 2.751 6.212 1.00 0.00 ATOM 273 NE1 TRP 37 -5.164 -0.480 4.735 1.00 0.00 ATOM 274 CZ2 TRP 37 -5.984 0.117 7.029 1.00 0.00 ATOM 275 CZ3 TRP 37 -5.867 2.486 7.465 1.00 0.00 ATOM 276 CH2 TRP 37 -6.180 1.182 7.865 1.00 0.00 ATOM 277 O TRP 37 -4.315 5.722 2.734 1.00 0.00 ATOM 278 C TRP 37 -4.683 4.818 1.972 1.00 0.00 ATOM 279 N ALA 38 -4.575 4.910 0.648 1.00 0.00 ATOM 280 CA ALA 38 -4.007 6.098 0.057 1.00 0.00 ATOM 281 CB ALA 38 -3.418 5.781 -1.310 1.00 0.00 ATOM 282 O ALA 38 -4.599 8.320 -0.589 1.00 0.00 ATOM 283 C ALA 38 -4.996 7.234 -0.158 1.00 0.00 ATOM 284 N LEU 39 -6.273 7.012 0.136 1.00 0.00 ATOM 285 CA LEU 39 -7.242 8.080 -0.069 1.00 0.00 ATOM 286 CB LEU 39 -8.667 7.553 0.115 1.00 0.00 ATOM 287 CG LEU 39 -9.330 6.941 -1.120 1.00 0.00 ATOM 288 CD1 LEU 39 -8.476 5.813 -1.684 1.00 0.00 ATOM 289 CD2 LEU 39 -10.697 6.374 -0.773 1.00 0.00 ATOM 290 O LEU 39 -6.562 9.002 2.020 1.00 0.00 ATOM 291 C LEU 39 -7.036 9.208 0.906 1.00 0.00 ATOM 292 N GLU 40 -7.403 10.406 0.470 1.00 0.00 ATOM 293 CA GLU 40 -7.250 11.596 1.300 1.00 0.00 ATOM 294 CB GLU 40 -6.933 12.815 0.433 1.00 0.00 ATOM 295 CG GLU 40 -8.081 13.261 -0.458 1.00 0.00 ATOM 296 CD GLU 40 -7.756 14.517 -1.242 1.00 0.00 ATOM 297 OE1 GLU 40 -7.564 15.578 -0.613 1.00 0.00 ATOM 298 OE2 GLU 40 -7.695 14.440 -2.487 1.00 0.00 ATOM 299 O GLU 40 -9.603 11.304 1.686 1.00 0.00 ATOM 300 C GLU 40 -8.554 11.841 2.055 1.00 0.00 ATOM 301 N GLU 41 -8.487 12.634 3.123 1.00 0.00 ATOM 302 CA GLU 41 -9.680 12.960 3.885 1.00 0.00 ATOM 303 CB GLU 41 -10.891 13.084 2.957 1.00 0.00 ATOM 304 CG GLU 41 -10.821 14.261 1.999 1.00 0.00 ATOM 305 CD GLU 41 -11.995 14.302 1.041 1.00 0.00 ATOM 306 OE1 GLU 41 -12.853 13.398 1.113 1.00 0.00 ATOM 307 OE2 GLU 41 -12.057 15.240 0.217 1.00 0.00 ATOM 308 O GLU 41 -11.229 12.043 5.456 1.00 0.00 ATOM 309 C GLU 41 -10.109 11.973 4.957 1.00 0.00 ATOM 310 N LEU 42 5.752 9.916 4.268 1.00 0.00 ATOM 311 CA LEU 42 6.041 10.600 3.018 1.00 0.00 ATOM 312 CB LEU 42 4.746 10.900 2.261 1.00 0.00 ATOM 313 CG LEU 42 3.995 9.693 1.697 1.00 0.00 ATOM 314 CD1 LEU 42 2.653 10.115 1.118 1.00 0.00 ATOM 315 CD2 LEU 42 4.801 9.026 0.591 1.00 0.00 ATOM 316 O LEU 42 7.496 12.383 2.355 1.00 0.00 ATOM 317 C LEU 42 6.763 11.928 3.236 1.00 0.00 ATOM 318 N GLU 43 6.583 12.548 4.401 1.00 0.00 ATOM 319 CA GLU 43 7.256 13.829 4.676 1.00 0.00 ATOM 320 CB GLU 43 6.803 14.392 6.024 1.00 0.00 ATOM 321 CG GLU 43 5.371 14.901 6.036 1.00 0.00 ATOM 322 CD GLU 43 4.928 15.364 7.409 1.00 0.00 ATOM 323 OE1 GLU 43 5.717 15.222 8.367 1.00 0.00 ATOM 324 OE2 GLU 43 3.792 15.870 7.528 1.00 0.00 ATOM 325 O GLU 43 9.554 14.545 4.427 1.00 0.00 ATOM 326 C GLU 43 8.777 13.627 4.714 1.00 0.00 ATOM 327 N THR 44 9.174 12.402 5.068 1.00 0.00 ATOM 328 CA THR 44 10.563 11.973 5.157 1.00 0.00 ATOM 329 CB THR 44 10.736 10.830 6.174 1.00 0.00 ATOM 330 CG2 THR 44 10.279 11.271 7.554 1.00 0.00 ATOM 331 OG1 THR 44 9.955 9.700 5.766 1.00 0.00 ATOM 332 O THR 44 12.184 10.993 3.686 1.00 0.00 ATOM 333 C THR 44 11.056 11.473 3.802 1.00 0.00 ATOM 334 N PRO 45 10.204 11.534 2.789 1.00 0.00 ATOM 335 CA PRO 45 10.569 11.076 1.458 1.00 0.00 ATOM 336 CB PRO 45 11.932 11.724 1.206 1.00 0.00 ATOM 337 CG PRO 45 12.564 11.803 2.556 1.00 0.00 ATOM 338 CD PRO 45 11.446 12.069 3.524 1.00 0.00 ATOM 339 O PRO 45 11.390 9.047 0.477 1.00 0.00 ATOM 340 C PRO 45 10.670 9.564 1.344 1.00 0.00 ATOM 341 N ALA 46 9.970 8.855 2.222 1.00 0.00 ATOM 342 CA ALA 46 9.942 7.400 2.168 1.00 0.00 ATOM 343 CB ALA 46 9.509 6.827 3.510 1.00 0.00 ATOM 344 O ALA 46 7.757 7.526 1.186 1.00 0.00 ATOM 345 C ALA 46 8.924 7.138 1.065 1.00 0.00 ATOM 346 N LYS 47 9.344 6.494 -0.034 1.00 0.00 ATOM 347 CA LYS 47 8.422 6.213 -1.140 1.00 0.00 ATOM 348 CB LYS 47 9.168 5.558 -2.305 1.00 0.00 ATOM 349 CG LYS 47 10.161 6.474 -3.000 1.00 0.00 ATOM 350 CD LYS 47 10.848 5.767 -4.156 1.00 0.00 ATOM 351 CE LYS 47 11.857 6.677 -4.840 1.00 0.00 ATOM 352 NZ LYS 47 12.566 5.985 -5.951 1.00 0.00 ATOM 353 O LYS 47 7.498 4.246 -0.102 1.00 0.00 ATOM 354 C LYS 47 7.284 5.271 -0.751 1.00 0.00 ATOM 355 N VAL 48 6.078 5.637 -1.161 1.00 0.00 ATOM 356 CA VAL 48 4.889 4.843 -0.884 1.00 0.00 ATOM 357 CB VAL 48 3.940 5.567 0.088 1.00 0.00 ATOM 358 CG1 VAL 48 2.701 4.727 0.348 1.00 0.00 ATOM 359 CG2 VAL 48 4.635 5.825 1.418 1.00 0.00 ATOM 360 O VAL 48 3.593 5.525 -2.779 1.00 0.00 ATOM 361 C VAL 48 4.173 4.607 -2.205 1.00 0.00 ATOM 362 N TYR 49 4.220 3.369 -2.688 1.00 0.00 ATOM 363 CA TYR 49 3.580 3.043 -3.958 1.00 0.00 ATOM 364 CB TYR 49 4.543 2.269 -4.861 1.00 0.00 ATOM 365 CG TYR 49 5.741 3.075 -5.310 1.00 0.00 ATOM 366 CD1 TYR 49 6.938 3.020 -4.609 1.00 0.00 ATOM 367 CD2 TYR 49 5.669 3.886 -6.435 1.00 0.00 ATOM 368 CE1 TYR 49 8.038 3.752 -5.014 1.00 0.00 ATOM 369 CE2 TYR 49 6.760 4.626 -6.854 1.00 0.00 ATOM 370 CZ TYR 49 7.950 4.552 -6.132 1.00 0.00 ATOM 371 OH TYR 49 9.043 5.283 -6.538 1.00 0.00 ATOM 372 O TYR 49 2.295 1.205 -3.077 1.00 0.00 ATOM 373 C TYR 49 2.327 2.184 -3.841 1.00 0.00 ATOM 374 N ALA 50 1.298 2.552 -4.582 1.00 0.00 ATOM 375 CA ALA 50 0.044 1.805 -4.598 1.00 0.00 ATOM 376 CB ALA 50 -1.140 2.756 -4.532 1.00 0.00 ATOM 377 O ALA 50 0.311 1.570 -6.973 1.00 0.00 ATOM 378 C ALA 50 0.029 1.015 -5.913 1.00 0.00 ATOM 379 N ILE 51 -0.305 -0.276 -5.843 1.00 0.00 ATOM 380 CA ILE 51 -0.332 -1.120 -7.033 1.00 0.00 ATOM 381 CB ILE 51 -0.640 -2.587 -6.676 1.00 0.00 ATOM 382 CG1 ILE 51 0.462 -3.161 -5.782 1.00 0.00 ATOM 383 CG2 ILE 51 -0.727 -3.435 -7.936 1.00 0.00 ATOM 384 CD1 ILE 51 1.816 -3.234 -6.452 1.00 0.00 ATOM 385 O ILE 51 -2.572 -0.595 -7.736 1.00 0.00 ATOM 386 C ILE 51 -1.382 -0.697 -8.047 1.00 0.00 ATOM 387 N LYS 52 -0.923 -0.468 -9.276 1.00 0.00 ATOM 388 CA LYS 52 -1.762 -0.040 -10.390 1.00 0.00 ATOM 389 CB LYS 52 -0.971 -0.069 -11.699 1.00 0.00 ATOM 390 CG LYS 52 -1.756 0.412 -12.909 1.00 0.00 ATOM 391 CD LYS 52 -0.896 0.403 -14.163 1.00 0.00 ATOM 392 CE LYS 52 -1.690 0.852 -15.379 1.00 0.00 ATOM 393 NZ LYS 52 -0.855 0.873 -16.611 1.00 0.00 ATOM 394 O LYS 52 -4.136 -0.405 -10.633 1.00 0.00 ATOM 395 C LYS 52 -3.014 -0.906 -10.626 1.00 0.00 ATOM 396 N ASP 53 -2.815 -2.207 -10.827 1.00 0.00 ATOM 397 CA ASP 53 -3.955 -3.075 -11.081 1.00 0.00 ATOM 398 CB ASP 53 -3.494 -4.522 -11.274 1.00 0.00 ATOM 399 CG ASP 53 -2.795 -4.738 -12.602 1.00 0.00 ATOM 400 OD1 ASP 53 -2.874 -3.842 -13.467 1.00 0.00 ATOM 401 OD2 ASP 53 -2.168 -5.804 -12.777 1.00 0.00 ATOM 402 O ASP 53 -6.152 -3.105 -10.151 1.00 0.00 ATOM 403 C ASP 53 -4.945 -3.052 -9.929 1.00 0.00 ATOM 404 N ASP 54 -4.444 -2.969 -8.711 1.00 0.00 ATOM 405 CA ASP 54 -5.305 -2.943 -7.538 1.00 0.00 ATOM 406 CB ASP 54 -4.468 -3.014 -6.258 1.00 0.00 ATOM 407 CG ASP 54 -3.769 -4.348 -6.091 1.00 0.00 ATOM 408 OD1 ASP 54 -4.429 -5.392 -6.277 1.00 0.00 ATOM 409 OD2 ASP 54 -2.561 -4.349 -5.774 1.00 0.00 ATOM 410 O ASP 54 -7.366 -1.745 -7.316 1.00 0.00 ATOM 411 C ASP 54 -6.148 -1.673 -7.467 1.00 0.00 ATOM 412 N PHE 55 -5.498 -0.515 -7.580 1.00 0.00 ATOM 413 CA PHE 55 -6.199 0.757 -7.513 1.00 0.00 ATOM 414 CB PHE 55 -5.215 1.921 -7.651 1.00 0.00 ATOM 415 CG PHE 55 -4.447 2.217 -6.394 1.00 0.00 ATOM 416 CD1 PHE 55 -3.142 1.782 -6.244 1.00 0.00 ATOM 417 CD2 PHE 55 -5.031 2.929 -5.361 1.00 0.00 ATOM 418 CE1 PHE 55 -2.436 2.055 -5.086 1.00 0.00 ATOM 419 CE2 PHE 55 -4.326 3.203 -4.205 1.00 0.00 ATOM 420 CZ PHE 55 -3.034 2.769 -4.064 1.00 0.00 ATOM 421 O PHE 55 -8.314 1.463 -8.394 1.00 0.00 ATOM 422 C PHE 55 -7.237 0.904 -8.619 1.00 0.00 ATOM 423 N LEU 56 -6.921 0.412 -9.826 1.00 0.00 ATOM 424 CA LEU 56 -7.860 0.503 -10.937 1.00 0.00 ATOM 425 CB LEU 56 -7.244 -0.083 -12.209 1.00 0.00 ATOM 426 CG LEU 56 -6.093 0.711 -12.832 1.00 0.00 ATOM 427 CD1 LEU 56 -5.460 -0.069 -13.975 1.00 0.00 ATOM 428 CD2 LEU 56 -6.592 2.038 -13.384 1.00 0.00 ATOM 429 O LEU 56 -10.250 0.199 -10.874 1.00 0.00 ATOM 430 C LEU 56 -9.142 -0.269 -10.618 1.00 0.00 ATOM 431 N ALA 57 -8.971 -1.467 -10.057 1.00 0.00 ATOM 432 CA ALA 57 -10.114 -2.290 -9.728 1.00 0.00 ATOM 433 CB ALA 57 -9.660 -3.635 -9.184 1.00 0.00 ATOM 434 O ALA 57 -12.224 -1.919 -8.681 1.00 0.00 ATOM 435 C ALA 57 -11.015 -1.666 -8.681 1.00 0.00 ATOM 436 N ARG 58 -10.451 -0.845 -7.807 1.00 0.00 ATOM 437 CA ARG 58 -11.243 -0.229 -6.752 1.00 0.00 ATOM 438 CB ARG 58 -10.459 -0.203 -5.438 1.00 0.00 ATOM 439 CG ARG 58 -9.998 -1.571 -4.963 1.00 0.00 ATOM 440 CD ARG 58 -11.181 -2.475 -4.655 1.00 0.00 ATOM 441 NE ARG 58 -11.998 -1.954 -3.561 1.00 0.00 ATOM 442 CZ ARG 58 -13.214 -2.397 -3.262 1.00 0.00 ATOM 443 NH1 ARG 58 -13.884 -1.863 -2.248 1.00 0.00 ATOM 444 NH2 ARG 58 -13.758 -3.375 -3.973 1.00 0.00 ATOM 445 O ARG 58 -12.238 1.910 -6.243 1.00 0.00 ATOM 446 C ARG 58 -11.642 1.224 -7.072 1.00 0.00 ATOM 447 N GLY 59 -11.308 1.671 -8.284 1.00 0.00 ATOM 448 CA GLY 59 -11.652 3.016 -8.714 1.00 0.00 ATOM 449 O GLY 59 -11.557 5.168 -7.652 1.00 0.00 ATOM 450 C GLY 59 -10.996 4.091 -7.889 1.00 0.00 ATOM 451 N TYR 60 -9.773 3.803 -7.455 1.00 0.00 ATOM 452 CA TYR 60 -9.015 4.724 -6.633 1.00 0.00 ATOM 453 CB TYR 60 -8.366 3.986 -5.461 1.00 0.00 ATOM 454 CG TYR 60 -9.354 3.300 -4.544 1.00 0.00 ATOM 455 CD1 TYR 60 -9.499 1.918 -4.563 1.00 0.00 ATOM 456 CD2 TYR 60 -10.137 4.035 -3.665 1.00 0.00 ATOM 457 CE1 TYR 60 -10.400 1.283 -3.729 1.00 0.00 ATOM 458 CE2 TYR 60 -11.043 3.417 -2.824 1.00 0.00 ATOM 459 CZ TYR 60 -11.169 2.029 -2.863 1.00 0.00 ATOM 460 OH TYR 60 -12.067 1.398 -2.032 1.00 0.00 ATOM 461 O TYR 60 -7.352 6.395 -7.029 1.00 0.00 ATOM 462 C TYR 60 -7.920 5.388 -7.452 1.00 0.00 ATOM 463 N SER 61 -7.641 4.844 -8.632 1.00 0.00 ATOM 464 CA SER 61 -6.614 5.386 -9.509 1.00 0.00 ATOM 465 CB SER 61 -6.648 4.688 -10.870 1.00 0.00 ATOM 466 OG SER 61 -6.302 3.321 -10.752 1.00 0.00 ATOM 467 O SER 61 -5.755 7.611 -9.744 1.00 0.00 ATOM 468 C SER 61 -6.746 6.887 -9.788 1.00 0.00 ATOM 469 N GLU 62 -7.964 7.342 -10.079 1.00 0.00 ATOM 470 CA GLU 62 -8.205 8.757 -10.386 1.00 0.00 ATOM 471 CB GLU 62 -9.347 8.900 -11.394 1.00 0.00 ATOM 472 CG GLU 62 -9.063 8.267 -12.747 1.00 0.00 ATOM 473 CD GLU 62 -10.281 8.253 -13.650 1.00 0.00 ATOM 474 OE1 GLU 62 -11.359 8.694 -13.201 1.00 0.00 ATOM 475 OE2 GLU 62 -10.156 7.800 -14.808 1.00 0.00 ATOM 476 O GLU 62 -8.822 10.828 -9.359 1.00 0.00 ATOM 477 C GLU 62 -8.591 9.636 -9.196 1.00 0.00 ATOM 478 N GLU 63 -4.980 11.260 -3.933 1.00 0.00 ATOM 479 CA GLU 63 -4.223 10.470 -2.981 1.00 0.00 ATOM 480 CB GLU 63 -3.205 9.587 -3.707 1.00 0.00 ATOM 481 CG GLU 63 -3.826 8.452 -4.505 1.00 0.00 ATOM 482 CD GLU 63 -2.792 7.628 -5.246 1.00 0.00 ATOM 483 OE1 GLU 63 -1.590 7.950 -5.142 1.00 0.00 ATOM 484 OE2 GLU 63 -3.185 6.660 -5.931 1.00 0.00 ATOM 485 O GLU 63 -3.250 12.542 -2.347 1.00 0.00 ATOM 486 C GLU 63 -3.488 11.387 -2.036 1.00 0.00 ATOM 487 N ASP 64 -3.144 10.854 -0.870 1.00 0.00 ATOM 488 CA ASP 64 -2.385 11.595 0.141 1.00 0.00 ATOM 489 CB ASP 64 -2.110 10.711 1.358 1.00 0.00 ATOM 490 CG ASP 64 -3.350 10.470 2.197 1.00 0.00 ATOM 491 OD1 ASP 64 -4.376 11.134 1.943 1.00 0.00 ATOM 492 OD2 ASP 64 -3.294 9.618 3.109 1.00 0.00 ATOM 493 O ASP 64 -0.658 11.270 -1.483 1.00 0.00 ATOM 494 C ASP 64 -1.102 11.981 -0.583 1.00 0.00 ATOM 495 N SER 65 -0.514 13.103 -0.195 1.00 0.00 ATOM 496 CA SER 65 0.699 13.591 -0.845 1.00 0.00 ATOM 497 CB SER 65 1.564 14.368 0.150 1.00 0.00 ATOM 498 OG SER 65 2.046 13.518 1.178 1.00 0.00 ATOM 499 O SER 65 1.406 12.053 -2.542 1.00 0.00 ATOM 500 C SER 65 1.658 12.575 -1.457 1.00 0.00 ATOM 501 N LYS 66 2.764 12.305 -0.777 1.00 0.00 ATOM 502 CA LYS 66 3.749 11.381 -1.314 1.00 0.00 ATOM 503 CB LYS 66 4.759 10.986 -0.235 1.00 0.00 ATOM 504 CG LYS 66 5.727 12.095 0.145 1.00 0.00 ATOM 505 CD LYS 66 6.705 12.384 -0.982 1.00 0.00 ATOM 506 CE LYS 66 7.759 13.390 -0.553 1.00 0.00 ATOM 507 NZ LYS 66 8.676 13.745 -1.670 1.00 0.00 ATOM 508 O LYS 66 4.001 9.370 -2.564 1.00 0.00 ATOM 509 C LYS 66 3.260 10.057 -1.873 1.00 0.00 ATOM 510 N VAL 67 2.017 9.677 -1.573 1.00 0.00 ATOM 511 CA VAL 67 1.481 8.420 -2.051 1.00 0.00 ATOM 512 CB VAL 67 0.074 8.154 -1.485 1.00 0.00 ATOM 513 CG1 VAL 67 -0.536 6.920 -2.130 1.00 0.00 ATOM 514 CG2 VAL 67 0.139 7.929 0.018 1.00 0.00 ATOM 515 O VAL 67 0.916 9.369 -4.168 1.00 0.00 ATOM 516 C VAL 67 1.368 8.400 -3.571 1.00 0.00 ATOM 517 N PRO 68 1.785 7.305 -4.200 1.00 0.00 ATOM 518 CA PRO 68 1.714 7.190 -5.654 1.00 0.00 ATOM 519 CB PRO 68 3.123 7.557 -6.124 1.00 0.00 ATOM 520 CG PRO 68 4.005 7.196 -4.975 1.00 0.00 ATOM 521 CD PRO 68 3.209 7.481 -3.733 1.00 0.00 ATOM 522 O PRO 68 1.397 4.812 -5.448 1.00 0.00 ATOM 523 C PRO 68 1.343 5.803 -6.172 1.00 0.00 ATOM 524 N LEU 69 0.973 5.753 -7.451 1.00 0.00 ATOM 525 CA LEU 69 0.560 4.519 -8.104 1.00 0.00 ATOM 526 CB LEU 69 -0.520 4.802 -9.152 1.00 0.00 ATOM 527 CG LEU 69 -1.818 5.426 -8.636 1.00 0.00 ATOM 528 CD1 LEU 69 -2.765 5.725 -9.787 1.00 0.00 ATOM 529 CD2 LEU 69 -2.523 4.480 -7.674 1.00 0.00 ATOM 530 O LEU 69 2.185 4.289 -9.839 1.00 0.00 ATOM 531 C LEU 69 1.701 3.814 -8.818 1.00 0.00 ATOM 532 N ILE 70 2.129 2.673 -8.284 1.00 0.00 ATOM 533 CA ILE 70 3.224 1.935 -8.896 1.00 0.00 ATOM 534 CB ILE 70 4.278 1.521 -7.852 1.00 0.00 ATOM 535 CG1 ILE 70 3.653 0.611 -6.794 1.00 0.00 ATOM 536 CG2 ILE 70 4.850 2.747 -7.158 1.00 0.00 ATOM 537 CD1 ILE 70 4.662 -0.034 -5.869 1.00 0.00 ATOM 538 O ILE 70 1.576 0.402 -9.729 1.00 0.00 ATOM 539 C ILE 70 2.779 0.659 -9.583 1.00 0.00 ATOM 540 N THR 71 3.732 -0.161 -9.997 1.00 0.00 ATOM 541 CA THR 71 3.380 -1.395 -10.696 1.00 0.00 ATOM 542 CB THR 71 3.727 -1.314 -12.194 1.00 0.00 ATOM 543 CG2 THR 71 3.002 -0.148 -12.848 1.00 0.00 ATOM 544 OG1 THR 71 5.140 -1.127 -12.351 1.00 0.00 ATOM 545 O THR 71 5.190 -2.537 -9.609 1.00 0.00 ATOM 546 C THR 71 4.092 -2.635 -10.166 1.00 0.00 ATOM 547 N TYR 72 3.457 -3.788 -10.357 1.00 0.00 ATOM 548 CA TYR 72 4.011 -5.060 -9.917 1.00 0.00 ATOM 549 CB TYR 72 3.227 -6.224 -10.528 1.00 0.00 ATOM 550 CG TYR 72 1.864 -6.435 -9.908 1.00 0.00 ATOM 551 CD1 TYR 72 0.710 -6.032 -10.571 1.00 0.00 ATOM 552 CD2 TYR 72 1.732 -7.036 -8.663 1.00 0.00 ATOM 553 CE1 TYR 72 -0.540 -6.221 -10.014 1.00 0.00 ATOM 554 CE2 TYR 72 0.490 -7.234 -8.090 1.00 0.00 ATOM 555 CZ TYR 72 -0.650 -6.820 -8.778 1.00 0.00 ATOM 556 OH TYR 72 -1.893 -7.009 -8.220 1.00 0.00 ATOM 557 O TYR 72 6.319 -5.615 -9.605 1.00 0.00 ATOM 558 C TYR 72 5.462 -5.157 -10.357 1.00 0.00 ATOM 559 N SER 73 5.713 -4.725 -11.592 1.00 0.00 ATOM 560 CA SER 73 7.049 -4.738 -12.177 1.00 0.00 ATOM 561 CB SER 73 7.048 -4.026 -13.532 1.00 0.00 ATOM 562 OG SER 73 6.260 -4.731 -14.476 1.00 0.00 ATOM 563 O SER 73 9.161 -4.433 -11.126 1.00 0.00 ATOM 564 C SER 73 8.017 -4.027 -11.250 1.00 0.00 ATOM 565 N GLU 74 7.552 -2.963 -10.613 1.00 0.00 ATOM 566 CA GLU 74 8.384 -2.193 -9.693 1.00 0.00 ATOM 567 CB GLU 74 7.703 -0.870 -9.336 1.00 0.00 ATOM 568 CG GLU 74 8.529 0.028 -8.430 1.00 0.00 ATOM 569 CD GLU 74 7.838 1.342 -8.125 1.00 0.00 ATOM 570 OE1 GLU 74 6.711 1.551 -8.623 1.00 0.00 ATOM 571 OE2 GLU 74 8.423 2.165 -7.388 1.00 0.00 ATOM 572 O GLU 74 9.758 -3.073 -7.934 1.00 0.00 ATOM 573 C GLU 74 8.620 -2.975 -8.409 1.00 0.00 ATOM 574 N PHE 75 7.559 -3.540 -7.837 1.00 0.00 ATOM 575 CA PHE 75 7.691 -4.318 -6.613 1.00 0.00 ATOM 576 CB PHE 75 6.343 -4.922 -6.215 1.00 0.00 ATOM 577 CG PHE 75 6.405 -5.776 -4.979 1.00 0.00 ATOM 578 CD1 PHE 75 6.423 -5.198 -3.723 1.00 0.00 ATOM 579 CD2 PHE 75 6.442 -7.156 -5.076 1.00 0.00 ATOM 580 CE1 PHE 75 6.478 -5.983 -2.585 1.00 0.00 ATOM 581 CE2 PHE 75 6.497 -7.941 -3.940 1.00 0.00 ATOM 582 CZ PHE 75 6.515 -7.360 -2.699 1.00 0.00 ATOM 583 O PHE 75 9.618 -5.667 -6.137 1.00 0.00 ATOM 584 C PHE 75 8.701 -5.409 -6.921 1.00 0.00 ATOM 585 N ILE 76 8.510 -6.046 -8.071 1.00 0.00 ATOM 586 CA ILE 76 9.400 -7.096 -8.544 1.00 0.00 ATOM 587 CB ILE 76 8.708 -7.997 -9.584 1.00 0.00 ATOM 588 CG1 ILE 76 7.427 -8.598 -9.001 1.00 0.00 ATOM 589 CG2 ILE 76 9.628 -9.134 -10.000 1.00 0.00 ATOM 590 CD1 ILE 76 6.578 -9.329 -10.016 1.00 0.00 ATOM 591 O ILE 76 10.661 -6.232 -10.373 1.00 0.00 ATOM 592 C ILE 76 10.563 -6.352 -9.157 1.00 0.00 ATOM 593 N ASP 77 11.435 -5.839 -8.298 1.00 0.00 ATOM 594 CA ASP 77 12.600 -5.066 -8.704 1.00 0.00 ATOM 595 CB ASP 77 12.192 -3.946 -9.662 1.00 0.00 ATOM 596 CG ASP 77 13.385 -3.229 -10.264 1.00 0.00 ATOM 597 OD1 ASP 77 14.529 -3.595 -9.924 1.00 0.00 ATOM 598 OD2 ASP 77 13.175 -2.304 -11.076 1.00 0.00 ATOM 599 O ASP 77 14.301 -4.688 -7.059 1.00 0.00 ATOM 600 C ASP 77 13.134 -4.526 -7.388 1.00 0.00 ATOM 601 N LEU 78 12.240 -3.874 -6.643 1.00 0.00 ATOM 602 CA LEU 78 12.578 -3.365 -5.323 1.00 0.00 ATOM 603 CB LEU 78 11.369 -2.675 -4.688 1.00 0.00 ATOM 604 CG LEU 78 10.931 -1.354 -5.323 1.00 0.00 ATOM 605 CD1 LEU 78 9.620 -0.874 -4.718 1.00 0.00 ATOM 606 CD2 LEU 78 11.980 -0.277 -5.099 1.00 0.00 ATOM 607 O LEU 78 13.948 -4.544 -3.732 1.00 0.00 ATOM 608 C LEU 78 12.999 -4.594 -4.515 1.00 0.00 ATOM 609 N LEU 79 12.270 -5.687 -4.727 1.00 0.00 ATOM 610 CA LEU 79 12.504 -6.957 -4.049 1.00 0.00 ATOM 611 CB LEU 79 11.461 -7.992 -4.476 1.00 0.00 ATOM 612 CG LEU 79 11.595 -9.384 -3.854 1.00 0.00 ATOM 613 CD1 LEU 79 11.445 -9.313 -2.342 1.00 0.00 ATOM 614 CD2 LEU 79 10.525 -10.319 -4.396 1.00 0.00 ATOM 615 O LEU 79 14.608 -7.963 -3.493 1.00 0.00 ATOM 616 C LEU 79 13.877 -7.517 -4.373 1.00 0.00 ATOM 617 N GLU 80 14.216 -7.504 -5.661 1.00 0.00 ATOM 618 CA GLU 80 15.496 -8.019 -6.132 1.00 0.00 ATOM 619 CB GLU 80 15.539 -8.034 -7.661 1.00 0.00 ATOM 620 CG GLU 80 14.629 -9.072 -8.297 1.00 0.00 ATOM 621 CD GLU 80 14.628 -8.997 -9.811 1.00 0.00 ATOM 622 OE1 GLU 80 15.290 -8.092 -10.361 1.00 0.00 ATOM 623 OE2 GLU 80 13.963 -9.842 -10.448 1.00 0.00 ATOM 624 O GLU 80 17.784 -7.730 -5.457 1.00 0.00 ATOM 625 C GLU 80 16.696 -7.191 -5.661 1.00 0.00 ATOM 626 N GLY 81 16.495 -5.892 -5.476 1.00 0.00 ATOM 627 CA GLY 81 17.581 -5.013 -5.063 1.00 0.00 ATOM 628 O GLY 81 17.865 -3.438 -3.280 1.00 0.00 ATOM 629 C GLY 81 17.464 -4.550 -3.613 1.00 0.00 ATOM 630 N GLU 82 16.924 -5.397 -2.753 1.00 0.00 ATOM 631 CA GLU 82 16.765 -5.044 -1.353 1.00 0.00 ATOM 632 CB GLU 82 15.281 -4.945 -0.989 1.00 0.00 ATOM 633 CG GLU 82 14.523 -3.879 -1.761 1.00 0.00 ATOM 634 CD GLU 82 14.820 -2.477 -1.262 1.00 0.00 ATOM 635 OE1 GLU 82 15.480 -2.349 -0.210 1.00 0.00 ATOM 636 OE2 GLU 82 14.393 -1.509 -1.925 1.00 0.00 ATOM 637 O GLU 82 17.375 -7.279 -0.754 1.00 0.00 ATOM 638 C GLU 82 17.404 -6.087 -0.458 1.00 0.00 ATOM 639 N GLU 83 17.983 -5.645 0.651 1.00 0.00 ATOM 640 CA GLU 83 18.601 -6.577 1.577 1.00 0.00 ATOM 641 CB GLU 83 19.484 -5.831 2.578 1.00 0.00 ATOM 642 CG GLU 83 20.746 -5.239 1.973 1.00 0.00 ATOM 643 CD GLU 83 21.532 -4.405 2.964 1.00 0.00 ATOM 644 OE1 GLU 83 21.053 -4.229 4.105 1.00 0.00 ATOM 645 OE2 GLU 83 22.628 -3.926 2.602 1.00 0.00 ATOM 646 O GLU 83 17.567 -8.513 2.552 1.00 0.00 ATOM 647 C GLU 83 17.487 -7.305 2.313 1.00 0.00 ATOM 648 N LYS 84 16.443 -6.571 2.670 1.00 0.00 ATOM 649 CA LYS 84 15.316 -7.169 3.375 1.00 0.00 ATOM 650 CB LYS 84 15.334 -6.770 4.851 1.00 0.00 ATOM 651 CG LYS 84 16.525 -7.313 5.627 1.00 0.00 ATOM 652 CD LYS 84 16.455 -6.918 7.093 1.00 0.00 ATOM 653 CE LYS 84 17.659 -7.435 7.862 1.00 0.00 ATOM 654 NZ LYS 84 17.610 -7.048 9.299 1.00 0.00 ATOM 655 O LYS 84 13.751 -5.654 2.326 1.00 0.00 ATOM 656 C LYS 84 13.955 -6.761 2.838 1.00 0.00 ATOM 657 N PHE 85 13.009 -7.684 2.949 1.00 0.00 ATOM 658 CA PHE 85 11.655 -7.417 2.495 1.00 0.00 ATOM 659 CB PHE 85 11.397 -8.095 1.148 1.00 0.00 ATOM 660 CG PHE 85 10.114 -7.673 0.493 1.00 0.00 ATOM 661 CD1 PHE 85 9.988 -6.414 -0.068 1.00 0.00 ATOM 662 CD2 PHE 85 9.032 -8.534 0.435 1.00 0.00 ATOM 663 CE1 PHE 85 8.807 -6.025 -0.672 1.00 0.00 ATOM 664 CE2 PHE 85 7.851 -8.145 -0.168 1.00 0.00 ATOM 665 CZ PHE 85 7.736 -6.896 -0.720 1.00 0.00 ATOM 666 O PHE 85 10.488 -9.162 3.676 1.00 0.00 ATOM 667 C PHE 85 10.658 -7.953 3.517 1.00 0.00 TER END