PFRMAT TS TARGET T0265 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 Model 4 was created by copying the backbone from an alignment to our METHOD top template (1lj9A) and optimizing the sidechains with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0265-1lj9A-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5. METHOD REMARK 6 REMARK 6 T0265 model 4 Sun Aug 8 19:37:23 2004 MODEL 4 PARENT 1lj9_A ATOM 1 N MET 1 -9.467 -2.296 16.183 1.00 0.00 ATOM 2 CA MET 1 -8.353 -2.900 16.923 1.00 0.00 ATOM 3 CB MET 1 -8.879 -3.844 18.006 1.00 0.00 ATOM 4 CG MET 1 -9.577 -3.140 19.157 1.00 0.00 ATOM 5 SD MET 1 -8.490 -2.007 20.044 1.00 0.00 ATOM 6 CE MET 1 -7.368 -3.160 20.830 1.00 0.00 ATOM 7 O MET 1 -6.218 -3.643 16.082 1.00 0.00 ATOM 8 C MET 1 -7.452 -3.700 15.981 1.00 0.00 ATOM 9 N MET 2 -8.051 -4.436 15.050 1.00 0.00 ATOM 10 CA MET 2 -7.243 -5.218 14.117 1.00 0.00 ATOM 11 CB MET 2 -8.139 -6.038 13.186 1.00 0.00 ATOM 12 CG MET 2 -8.875 -7.173 13.877 1.00 0.00 ATOM 13 SD MET 2 -7.758 -8.389 14.600 1.00 0.00 ATOM 14 CE MET 2 -7.059 -9.127 13.125 1.00 0.00 ATOM 15 O MET 2 -5.182 -4.548 13.074 1.00 0.00 ATOM 16 C MET 2 -6.375 -4.296 13.266 1.00 0.00 ATOM 17 N LYS 3 -6.973 -3.216 12.771 1.00 0.00 ATOM 18 CA LYS 3 -6.263 -2.265 11.928 1.00 0.00 ATOM 19 CB LYS 3 -7.215 -1.176 11.429 1.00 0.00 ATOM 20 CG LYS 3 -8.231 -1.662 10.407 1.00 0.00 ATOM 21 CD LYS 3 -9.141 -0.532 9.953 1.00 0.00 ATOM 22 CE LYS 3 -10.170 -1.022 8.949 1.00 0.00 ATOM 23 NZ LYS 3 -11.091 0.067 8.522 1.00 0.00 ATOM 24 O LYS 3 -4.017 -1.422 12.133 1.00 0.00 ATOM 25 C LYS 3 -5.118 -1.568 12.670 1.00 0.00 ATOM 26 N GLU 4 -5.378 -1.135 13.900 1.00 0.00 ATOM 27 CA GLU 4 -4.357 -0.455 14.675 1.00 0.00 ATOM 28 CB GLU 4 -4.964 0.173 15.931 1.00 0.00 ATOM 29 CG GLU 4 -5.870 1.361 15.653 1.00 0.00 ATOM 30 CD GLU 4 -6.551 1.881 16.904 1.00 0.00 ATOM 31 OE1 GLU 4 -6.371 1.266 17.977 1.00 0.00 ATOM 32 OE2 GLU 4 -7.265 2.901 16.812 1.00 0.00 ATOM 33 O GLU 4 -2.088 -1.050 15.156 1.00 0.00 ATOM 34 C GLU 4 -3.261 -1.422 15.114 1.00 0.00 ATOM 35 N LYS 5 -3.633 -2.661 15.414 1.00 0.00 ATOM 36 CA LYS 5 -2.640 -3.650 15.814 1.00 0.00 ATOM 37 CB LYS 5 -3.318 -4.971 16.181 1.00 0.00 ATOM 38 CG LYS 5 -2.358 -6.052 16.652 1.00 0.00 ATOM 39 CD LYS 5 -3.103 -7.310 17.068 1.00 0.00 ATOM 40 CE LYS 5 -2.141 -8.407 17.492 1.00 0.00 ATOM 41 NZ LYS 5 -2.856 -9.654 17.877 1.00 0.00 ATOM 42 O LYS 5 -0.465 -3.924 14.828 1.00 0.00 ATOM 43 C LYS 5 -1.683 -3.876 14.642 1.00 0.00 ATOM 44 N LEU 6 -2.241 -4.019 13.439 1.00 0.00 ATOM 45 CA LEU 6 -1.426 -4.231 12.245 1.00 0.00 ATOM 46 CB LEU 6 -2.318 -4.428 11.018 1.00 0.00 ATOM 47 CG LEU 6 -3.120 -5.728 10.964 1.00 0.00 ATOM 48 CD1 LEU 6 -4.092 -5.713 9.793 1.00 0.00 ATOM 49 CD2 LEU 6 -2.196 -6.925 10.798 1.00 0.00 ATOM 50 O LEU 6 0.648 -3.176 11.628 1.00 0.00 ATOM 51 C LEU 6 -0.520 -3.031 11.996 1.00 0.00 ATOM 52 N GLU 7 -1.061 -1.836 12.199 1.00 0.00 ATOM 53 CA GLU 7 -0.282 -0.625 12.007 1.00 0.00 ATOM 54 CB GLU 7 -1.146 0.612 12.258 1.00 0.00 ATOM 55 CG GLU 7 -2.198 0.862 11.189 1.00 0.00 ATOM 56 CD GLU 7 -3.112 2.021 11.531 1.00 0.00 ATOM 57 OE1 GLU 7 -2.972 2.582 12.638 1.00 0.00 ATOM 58 OE2 GLU 7 -3.970 2.369 10.692 1.00 0.00 ATOM 59 O GLU 7 2.023 -0.277 12.610 1.00 0.00 ATOM 60 C GLU 7 0.893 -0.610 12.978 1.00 0.00 ATOM 61 N SER 8 0.619 -0.976 14.224 1.00 0.00 ATOM 62 CA SER 8 1.645 -1.007 15.255 1.00 0.00 ATOM 63 CB SER 8 1.032 -1.359 16.612 1.00 0.00 ATOM 64 OG SER 8 0.133 -0.351 17.042 1.00 0.00 ATOM 65 O SER 8 3.892 -1.844 15.290 1.00 0.00 ATOM 66 C SER 8 2.728 -2.041 14.954 1.00 0.00 ATOM 67 N LYS 9 2.337 -3.146 14.329 1.00 0.00 ATOM 68 CA LYS 9 3.289 -4.191 13.976 1.00 0.00 ATOM 69 CB LYS 9 2.555 -5.448 13.505 1.00 0.00 ATOM 70 CG LYS 9 3.472 -6.610 13.160 1.00 0.00 ATOM 71 CD LYS 9 2.675 -7.850 12.784 1.00 0.00 ATOM 72 CE LYS 9 3.593 -9.001 12.406 1.00 0.00 ATOM 73 NZ LYS 9 2.825 -10.205 11.982 1.00 0.00 ATOM 74 O LYS 9 5.392 -3.778 12.891 1.00 0.00 ATOM 75 C LYS 9 4.170 -3.648 12.851 1.00 0.00 ATOM 76 N LYS 10 3.540 -3.013 11.865 1.00 0.00 ATOM 77 CA LYS 10 4.261 -2.437 10.731 1.00 0.00 ATOM 78 CB LYS 10 3.286 -1.775 9.755 1.00 0.00 ATOM 79 CG LYS 10 2.415 -2.756 8.987 1.00 0.00 ATOM 80 CD LYS 10 1.474 -2.034 8.038 1.00 0.00 ATOM 81 CE LYS 10 0.587 -3.013 7.287 1.00 0.00 ATOM 82 NZ LYS 10 -0.364 -2.317 6.377 1.00 0.00 ATOM 83 O LYS 10 6.340 -1.260 10.600 1.00 0.00 ATOM 84 C LYS 10 5.262 -1.378 11.176 1.00 0.00 ATOM 85 N ASP 11 4.908 -0.605 12.198 1.00 0.00 ATOM 86 CA ASP 11 5.806 0.434 12.699 1.00 0.00 ATOM 87 CB ASP 11 5.126 1.241 13.806 1.00 0.00 ATOM 88 CG ASP 11 4.045 2.162 13.276 1.00 0.00 ATOM 89 OD1 ASP 11 3.974 2.346 12.043 1.00 0.00 ATOM 90 OD2 ASP 11 3.268 2.699 14.093 1.00 0.00 ATOM 91 O ASP 11 8.099 0.557 13.368 1.00 0.00 ATOM 92 C ASP 11 7.086 -0.138 13.275 1.00 0.00 ATOM 93 N GLU 12 7.036 -1.403 13.669 1.00 0.00 ATOM 94 CA GLU 12 8.211 -2.056 14.218 1.00 0.00 ATOM 95 CB GLU 12 7.808 -3.081 15.279 1.00 0.00 ATOM 96 CG GLU 12 7.171 -2.475 16.519 1.00 0.00 ATOM 97 CD GLU 12 6.787 -3.520 17.548 1.00 0.00 ATOM 98 OE1 GLU 12 7.034 -4.718 17.298 1.00 0.00 ATOM 99 OE2 GLU 12 6.241 -3.140 18.605 1.00 0.00 ATOM 100 O GLU 12 10.159 -2.572 12.920 1.00 0.00 ATOM 101 C GLU 12 8.961 -2.766 13.101 1.00 0.00 ATOM 102 N ILE 13 8.240 -3.558 12.318 1.00 0.00 ATOM 103 CA ILE 13 8.874 -4.322 11.257 1.00 0.00 ATOM 104 CB ILE 13 7.913 -5.366 10.660 1.00 0.00 ATOM 105 CG1 ILE 13 7.611 -6.462 11.685 1.00 0.00 ATOM 106 CG2 ILE 13 8.528 -6.015 9.430 1.00 0.00 ATOM 107 CD1 ILE 13 6.480 -7.382 11.281 1.00 0.00 ATOM 108 O ILE 13 10.316 -4.011 9.370 1.00 0.00 ATOM 109 C ILE 13 9.389 -3.550 10.040 1.00 0.00 ATOM 110 N ARG 14 8.808 -2.387 9.749 1.00 0.00 ATOM 111 CA ARG 14 9.259 -1.602 8.601 1.00 0.00 ATOM 112 CB ARG 14 8.063 -0.995 7.863 1.00 0.00 ATOM 113 CG ARG 14 7.103 -2.022 7.285 1.00 0.00 ATOM 114 CD ARG 14 7.717 -2.741 6.094 1.00 0.00 ATOM 115 NE ARG 14 6.757 -3.617 5.430 1.00 0.00 ATOM 116 CZ ARG 14 7.040 -4.371 4.372 1.00 0.00 ATOM 117 NH1 ARG 14 6.101 -5.138 3.834 1.00 0.00 ATOM 118 NH2 ARG 14 8.261 -4.357 3.856 1.00 0.00 ATOM 119 O ARG 14 10.557 0.367 8.199 1.00 0.00 ATOM 120 C ARG 14 10.172 -0.460 9.022 1.00 0.00 ATOM 121 N CYS 15 10.535 -0.425 10.299 1.00 0.00 ATOM 122 CA CYS 15 11.390 0.637 10.802 1.00 0.00 ATOM 123 CB CYS 15 11.773 0.372 12.260 1.00 0.00 ATOM 124 SG CYS 15 12.771 1.673 13.019 1.00 0.00 ATOM 125 O CYS 15 13.087 1.910 9.678 1.00 0.00 ATOM 126 C CYS 15 12.695 0.790 10.022 1.00 0.00 ATOM 127 N CYS 16 13.360 -0.319 9.710 1.00 0.00 ATOM 128 CA CYS 16 14.612 -0.217 8.974 1.00 0.00 ATOM 129 CB CYS 16 15.400 -1.524 9.073 1.00 0.00 ATOM 130 SG CYS 16 15.978 -1.923 10.739 1.00 0.00 ATOM 131 O CYS 16 15.364 0.429 6.789 1.00 0.00 ATOM 132 C CYS 16 14.413 0.075 7.488 1.00 0.00 ATOM 133 N TYR 17 13.175 -0.057 7.010 1.00 0.00 ATOM 134 CA TYR 17 12.852 0.189 5.607 1.00 0.00 ATOM 135 CB TYR 17 11.835 -0.838 5.104 1.00 0.00 ATOM 136 CG TYR 17 12.351 -2.259 5.100 1.00 0.00 ATOM 137 CD1 TYR 17 11.969 -3.158 6.089 1.00 0.00 ATOM 138 CD2 TYR 17 13.217 -2.699 4.108 1.00 0.00 ATOM 139 CE1 TYR 17 12.435 -4.458 6.093 1.00 0.00 ATOM 140 CE2 TYR 17 13.694 -3.996 4.096 1.00 0.00 ATOM 141 CZ TYR 17 13.295 -4.876 5.100 1.00 0.00 ATOM 142 OH TYR 17 13.761 -6.171 5.102 1.00 0.00 ATOM 143 O TYR 17 11.828 1.875 4.250 1.00 0.00 ATOM 144 C TYR 17 12.250 1.572 5.368 1.00 0.00 ATOM 145 N LYS 18 12.200 2.405 6.407 1.00 0.00 ATOM 146 CA LYS 18 11.647 3.760 6.284 1.00 0.00 ATOM 147 CB LYS 18 12.503 4.602 5.336 1.00 0.00 ATOM 148 CG LYS 18 13.947 4.765 5.783 1.00 0.00 ATOM 149 CD LYS 18 14.719 5.667 4.836 1.00 0.00 ATOM 150 CE LYS 18 16.181 5.776 5.242 1.00 0.00 ATOM 151 NZ LYS 18 16.955 6.636 4.308 1.00 0.00 ATOM 152 O LYS 18 9.881 4.641 4.918 1.00 0.00 ATOM 153 C LYS 18 10.219 3.782 5.736 1.00 0.00 ATOM 154 N ILE 19 9.378 2.855 6.186 1.00 0.00 ATOM 155 CA ILE 19 8.008 2.796 5.697 1.00 0.00 ATOM 156 CB ILE 19 7.793 1.589 4.765 1.00 0.00 ATOM 157 CG1 ILE 19 8.086 0.284 5.506 1.00 0.00 ATOM 158 CG2 ILE 19 8.716 1.677 3.558 1.00 0.00 ATOM 159 CD1 ILE 19 7.657 -0.956 4.751 1.00 0.00 ATOM 160 O ILE 19 5.844 2.180 6.544 1.00 0.00 ATOM 161 C ILE 19 6.951 2.667 6.786 1.00 0.00 ATOM 162 N THR 20 7.289 3.124 7.983 1.00 0.00 ATOM 163 CA THR 20 6.362 3.064 9.099 1.00 0.00 ATOM 164 CB THR 20 7.084 3.268 10.445 1.00 0.00 ATOM 165 CG2 THR 20 8.188 2.236 10.619 1.00 0.00 ATOM 166 OG1 THR 20 7.663 4.579 10.485 1.00 0.00 ATOM 167 O THR 20 5.253 4.924 8.031 1.00 0.00 ATOM 168 C THR 20 5.282 4.147 8.992 1.00 0.00 ATOM 169 N ASP 21 4.392 4.173 9.978 1.00 0.00 ATOM 170 CA ASP 21 3.306 5.145 10.047 1.00 0.00 ATOM 171 CB ASP 21 3.864 6.565 10.160 1.00 0.00 ATOM 172 CG ASP 21 4.623 6.791 11.453 1.00 0.00 ATOM 173 OD1 ASP 21 4.068 6.486 12.529 1.00 0.00 ATOM 174 OD2 ASP 21 5.775 7.272 11.390 1.00 0.00 ATOM 175 O ASP 21 1.889 6.166 8.400 1.00 0.00 ATOM 176 C ASP 21 2.392 5.125 8.822 1.00 0.00 ATOM 177 N THR 22 2.190 3.944 8.251 1.00 0.00 ATOM 178 CA THR 22 1.329 3.809 7.089 1.00 0.00 ATOM 179 CB THR 22 0.103 4.735 7.184 1.00 0.00 ATOM 180 CG2 THR 22 -0.585 4.572 8.529 1.00 0.00 ATOM 181 OG1 THR 22 0.519 6.099 7.036 1.00 0.00 ATOM 182 O THR 22 1.339 3.981 4.704 1.00 0.00 ATOM 183 C THR 22 1.970 4.136 5.754 1.00 0.00 ATOM 184 N ASP 23 3.218 4.589 5.776 1.00 0.00 ATOM 185 CA ASP 23 3.904 4.940 4.540 1.00 0.00 ATOM 186 CB ASP 23 5.361 5.312 4.824 1.00 0.00 ATOM 187 CG ASP 23 5.496 6.660 5.505 1.00 0.00 ATOM 188 OD1 ASP 23 4.494 7.403 5.555 1.00 0.00 ATOM 189 OD2 ASP 23 6.605 6.973 5.989 1.00 0.00 ATOM 190 O ASP 23 3.827 4.072 2.314 1.00 0.00 ATOM 191 C ASP 23 3.932 3.816 3.513 1.00 0.00 ATOM 192 N VAL 24 4.069 2.574 3.978 1.00 0.00 ATOM 193 CA VAL 24 4.097 1.418 3.080 1.00 0.00 ATOM 194 CB VAL 24 4.242 0.100 3.860 1.00 0.00 ATOM 195 CG1 VAL 24 2.969 -0.202 4.637 1.00 0.00 ATOM 196 CG2 VAL 24 4.510 -1.057 2.909 1.00 0.00 ATOM 197 O VAL 24 2.842 0.859 1.106 1.00 0.00 ATOM 198 C VAL 24 2.814 1.318 2.248 1.00 0.00 ATOM 199 N ALA 25 1.696 1.767 2.818 1.00 0.00 ATOM 200 CA ALA 25 0.404 1.741 2.135 1.00 0.00 ATOM 201 CB ALA 25 -0.676 2.347 3.020 1.00 0.00 ATOM 202 O ALA 25 -0.076 2.104 -0.190 1.00 0.00 ATOM 203 C ALA 25 0.453 2.534 0.834 1.00 0.00 ATOM 204 N VAL 26 1.079 3.704 0.893 1.00 0.00 ATOM 205 CA VAL 26 1.185 4.565 -0.275 1.00 0.00 ATOM 206 CB VAL 26 1.693 5.969 0.103 1.00 0.00 ATOM 207 CG1 VAL 26 1.975 6.787 -1.147 1.00 0.00 ATOM 208 CG2 VAL 26 0.653 6.705 0.935 1.00 0.00 ATOM 209 O VAL 26 1.888 4.057 -2.515 1.00 0.00 ATOM 210 C VAL 26 2.154 3.999 -1.312 1.00 0.00 ATOM 211 N LEU 27 3.275 3.446 -0.866 1.00 0.00 ATOM 212 CA LEU 27 4.226 2.873 -1.809 1.00 0.00 ATOM 213 CB LEU 27 5.458 2.344 -1.073 1.00 0.00 ATOM 214 CG LEU 27 6.380 3.396 -0.452 1.00 0.00 ATOM 215 CD1 LEU 27 7.456 2.734 0.397 1.00 0.00 ATOM 216 CD2 LEU 27 7.065 4.216 -1.533 1.00 0.00 ATOM 217 O LEU 27 3.715 1.586 -3.774 1.00 0.00 ATOM 218 C LEU 27 3.564 1.718 -2.563 1.00 0.00 ATOM 219 N LEU 28 2.816 0.887 -1.845 1.00 0.00 ATOM 220 CA LEU 28 2.129 -0.240 -2.470 1.00 0.00 ATOM 221 CB LEU 28 1.334 -1.028 -1.426 1.00 0.00 ATOM 222 CG LEU 28 0.546 -2.232 -1.942 1.00 0.00 ATOM 223 CD1 LEU 28 1.480 -3.267 -2.550 1.00 0.00 ATOM 224 CD2 LEU 28 -0.227 -2.895 -0.811 1.00 0.00 ATOM 225 O LEU 28 1.148 -0.302 -4.672 1.00 0.00 ATOM 226 C LEU 28 1.147 0.221 -3.553 1.00 0.00 ATOM 227 N LYS 29 0.306 1.196 -3.231 1.00 0.00 ATOM 228 CA LYS 29 -0.654 1.687 -4.218 1.00 0.00 ATOM 229 CB LYS 29 -1.551 2.764 -3.603 1.00 0.00 ATOM 230 CG LYS 29 -2.650 3.259 -4.529 1.00 0.00 ATOM 231 CD LYS 29 -3.703 2.187 -4.761 1.00 0.00 ATOM 232 CE LYS 29 -4.867 2.724 -5.578 1.00 0.00 ATOM 233 NZ LYS 29 -5.917 1.691 -5.792 1.00 0.00 ATOM 234 O LYS 29 -0.427 2.181 -6.575 1.00 0.00 ATOM 235 C LYS 29 0.053 2.303 -5.441 1.00 0.00 ATOM 236 N MET 30 1.191 2.957 -5.220 1.00 0.00 ATOM 237 CA MET 30 1.954 3.550 -6.324 1.00 0.00 ATOM 238 CB MET 30 3.102 4.405 -5.783 1.00 0.00 ATOM 239 CG MET 30 2.653 5.686 -5.100 1.00 0.00 ATOM 240 SD MET 30 4.030 6.782 -4.702 1.00 0.00 ATOM 241 CE MET 30 4.739 5.936 -3.292 1.00 0.00 ATOM 242 O MET 30 2.576 2.604 -8.465 1.00 0.00 ATOM 243 C MET 30 2.556 2.465 -7.236 1.00 0.00 ATOM 244 N VAL 31 3.045 1.382 -6.637 1.00 0.00 ATOM 245 CA VAL 31 3.625 0.297 -7.421 1.00 0.00 ATOM 246 CB VAL 31 4.420 -0.678 -6.532 1.00 0.00 ATOM 247 CG1 VAL 31 3.478 -1.498 -5.666 1.00 0.00 ATOM 248 CG2 VAL 31 5.239 -1.632 -7.388 1.00 0.00 ATOM 249 O VAL 31 2.772 -1.077 -9.187 1.00 0.00 ATOM 250 C VAL 31 2.538 -0.501 -8.127 1.00 0.00 ATOM 251 N GLU 32 1.344 -0.521 -7.543 1.00 0.00 ATOM 252 CA GLU 32 0.215 -1.234 -8.139 1.00 0.00 ATOM 253 CB GLU 32 -0.829 -1.571 -7.073 1.00 0.00 ATOM 254 CG GLU 32 -0.350 -2.566 -6.028 1.00 0.00 ATOM 255 CD GLU 32 -1.403 -2.859 -4.977 1.00 0.00 ATOM 256 OE1 GLU 32 -2.523 -2.321 -5.093 1.00 0.00 ATOM 257 OE2 GLU 32 -1.107 -3.626 -4.037 1.00 0.00 ATOM 258 O GLU 32 -1.101 -0.887 -10.112 1.00 0.00 ATOM 259 C GLU 32 -0.444 -0.373 -9.212 1.00 0.00 ATOM 263 N GLU 34 -0.273 0.941 -9.096 1.00 0.00 ATOM 264 CA GLU 34 -0.885 1.890 -10.025 1.00 0.00 ATOM 265 CB GLU 34 -2.051 2.620 -9.353 1.00 0.00 ATOM 266 CG GLU 34 -3.255 1.737 -9.066 1.00 0.00 ATOM 267 CD GLU 34 -3.997 1.337 -10.326 1.00 0.00 ATOM 268 OE1 GLU 34 -3.714 1.922 -11.394 1.00 0.00 ATOM 269 OE2 GLU 34 -4.863 0.441 -10.247 1.00 0.00 ATOM 270 O GLU 34 -0.037 4.128 -10.180 1.00 0.00 ATOM 271 C GLU 34 0.105 2.951 -10.508 1.00 0.00 ATOM 272 N LYS 35 1.122 2.553 -11.290 1.00 0.00 ATOM 273 CA LYS 35 2.120 3.500 -11.798 1.00 0.00 ATOM 274 CB LYS 35 3.030 2.821 -12.824 1.00 0.00 ATOM 275 CG LYS 35 3.897 1.713 -12.247 1.00 0.00 ATOM 276 CD LYS 35 4.768 1.078 -13.318 1.00 0.00 ATOM 277 CE LYS 35 5.586 -0.071 -12.754 1.00 0.00 ATOM 278 NZ LYS 35 6.398 -0.743 -13.807 1.00 0.00 ATOM 279 O LYS 35 0.608 4.565 -13.334 1.00 0.00 ATOM 280 C LYS 35 1.490 4.710 -12.484 1.00 0.00 ATOM 281 N PRO 36 1.939 5.899 -12.100 1.00 0.00 ATOM 282 CA PRO 36 1.411 7.114 -12.701 1.00 0.00 ATOM 283 CB PRO 36 1.160 6.726 -14.160 1.00 0.00 ATOM 284 CG PRO 36 0.767 5.287 -14.100 1.00 0.00 ATOM 285 CD PRO 36 1.595 4.674 -13.006 1.00 0.00 ATOM 286 O PRO 36 -0.425 8.639 -12.587 1.00 0.00 ATOM 287 C PRO 36 0.128 7.650 -12.096 1.00 0.00 ATOM 288 N ILE 37 -0.359 7.004 -11.043 1.00 0.00 ATOM 289 CA ILE 37 -1.582 7.433 -10.379 1.00 0.00 ATOM 290 CB ILE 37 -1.922 6.528 -9.181 1.00 0.00 ATOM 291 CG1 ILE 37 -3.350 6.793 -8.700 1.00 0.00 ATOM 292 CG2 ILE 37 -0.969 6.789 -8.026 1.00 0.00 ATOM 293 CD1 ILE 37 -3.872 5.753 -7.734 1.00 0.00 ATOM 294 O ILE 37 -0.321 9.309 -9.561 1.00 0.00 ATOM 295 C ILE 37 -1.429 8.871 -9.858 1.00 0.00 ATOM 296 N THR 38 -2.537 9.606 -9.763 1.00 0.00 ATOM 297 CA THR 38 -2.483 10.977 -9.255 1.00 0.00 ATOM 298 CB THR 38 -3.463 11.897 -10.007 1.00 0.00 ATOM 299 CG2 THR 38 -3.127 11.931 -11.491 1.00 0.00 ATOM 300 OG1 THR 38 -4.801 11.411 -9.845 1.00 0.00 ATOM 301 O THR 38 -3.587 10.148 -7.297 1.00 0.00 ATOM 302 C THR 38 -2.851 11.006 -7.776 1.00 0.00 ATOM 303 N SER 39 -2.332 12.002 -7.060 1.00 0.00 ATOM 304 CA SER 39 -2.580 12.164 -5.632 1.00 0.00 ATOM 305 CB SER 39 -2.119 13.546 -5.161 1.00 0.00 ATOM 306 OG SER 39 -0.713 13.680 -5.275 1.00 0.00 ATOM 307 O SER 39 -4.392 11.378 -4.264 1.00 0.00 ATOM 308 C SER 39 -4.050 12.039 -5.245 1.00 0.00 ATOM 309 N GLU 40 -4.923 12.678 -6.015 1.00 0.00 ATOM 310 CA GLU 40 -6.342 12.629 -5.730 1.00 0.00 ATOM 311 CB GLU 40 -7.133 13.355 -6.819 1.00 0.00 ATOM 312 CG GLU 40 -8.633 13.392 -6.577 1.00 0.00 ATOM 313 CD GLU 40 -9.379 14.148 -7.659 1.00 0.00 ATOM 314 OE1 GLU 40 -8.720 14.653 -8.592 1.00 0.00 ATOM 315 OE2 GLU 40 -10.623 14.233 -7.575 1.00 0.00 ATOM 316 O GLU 40 -7.558 10.814 -4.742 1.00 0.00 ATOM 317 C GLU 40 -6.835 11.190 -5.663 1.00 0.00 ATOM 318 N GLU 41 -6.440 10.383 -6.642 1.00 0.00 ATOM 319 CA GLU 41 -6.883 9.000 -6.668 1.00 0.00 ATOM 320 CB GLU 41 -6.497 8.338 -7.992 1.00 0.00 ATOM 321 CG GLU 41 -7.276 8.851 -9.192 1.00 0.00 ATOM 322 CD GLU 41 -6.784 8.265 -10.500 1.00 0.00 ATOM 323 OE1 GLU 41 -5.786 7.514 -10.477 1.00 0.00 ATOM 324 OE2 GLU 41 -7.396 8.557 -11.550 1.00 0.00 ATOM 325 O GLU 41 -6.961 7.293 -5.006 1.00 0.00 ATOM 326 C GLU 41 -6.281 8.147 -5.559 1.00 0.00 ATOM 327 N LEU 42 -5.018 8.371 -5.218 1.00 0.00 ATOM 328 CA LEU 42 -4.422 7.544 -4.177 1.00 0.00 ATOM 329 CB LEU 42 -2.950 7.913 -3.976 1.00 0.00 ATOM 330 CG LEU 42 -1.997 7.546 -5.115 1.00 0.00 ATOM 331 CD1 LEU 42 -0.613 8.127 -4.868 1.00 0.00 ATOM 332 CD2 LEU 42 -1.863 6.035 -5.237 1.00 0.00 ATOM 333 O LEU 42 -5.342 6.758 -2.113 1.00 0.00 ATOM 334 C LEU 42 -5.138 7.725 -2.838 1.00 0.00 ATOM 335 N ALA 43 -5.541 8.955 -2.524 1.00 0.00 ATOM 336 CA ALA 43 -6.247 9.234 -1.274 1.00 0.00 ATOM 337 CB ALA 43 -6.486 10.728 -1.121 1.00 0.00 ATOM 338 O ALA 43 -8.066 8.015 -0.262 1.00 0.00 ATOM 339 C ALA 43 -7.595 8.508 -1.287 1.00 0.00 ATOM 340 N ASP 44 -8.215 8.454 -2.457 1.00 0.00 ATOM 341 CA ASP 44 -9.501 7.792 -2.604 1.00 0.00 ATOM 342 CB ASP 44 -10.047 7.993 -4.018 1.00 0.00 ATOM 343 CG ASP 44 -10.540 9.408 -4.258 1.00 0.00 ATOM 344 OD1 ASP 44 -10.688 10.160 -3.273 1.00 0.00 ATOM 345 OD2 ASP 44 -10.777 9.764 -5.431 1.00 0.00 ATOM 346 O ASP 44 -10.266 5.684 -1.710 1.00 0.00 ATOM 347 C ASP 44 -9.399 6.281 -2.354 1.00 0.00 ATOM 348 N ILE 45 -8.341 5.664 -2.865 1.00 0.00 ATOM 349 CA ILE 45 -8.142 4.225 -2.696 1.00 0.00 ATOM 350 CB ILE 45 -6.986 3.709 -3.571 1.00 0.00 ATOM 351 CG1 ILE 45 -7.309 3.906 -5.054 1.00 0.00 ATOM 352 CG2 ILE 45 -6.751 2.226 -3.322 1.00 0.00 ATOM 353 CD1 ILE 45 -8.550 3.174 -5.511 1.00 0.00 ATOM 354 O ILE 45 -8.356 2.894 -0.699 1.00 0.00 ATOM 355 C ILE 45 -7.809 3.859 -1.250 1.00 0.00 ATOM 356 N PHE 46 -6.919 4.633 -0.645 1.00 0.00 ATOM 357 CA PHE 46 -6.480 4.398 0.728 1.00 0.00 ATOM 358 CB PHE 46 -5.185 5.162 1.017 1.00 0.00 ATOM 359 CG PHE 46 -4.016 4.706 0.192 1.00 0.00 ATOM 360 CD1 PHE 46 -4.013 3.453 -0.397 1.00 0.00 ATOM 361 CD2 PHE 46 -2.920 5.529 0.006 1.00 0.00 ATOM 362 CE1 PHE 46 -2.935 3.034 -1.156 1.00 0.00 ATOM 363 CE2 PHE 46 -1.843 5.109 -0.752 1.00 0.00 ATOM 364 CZ PHE 46 -1.849 3.867 -1.332 1.00 0.00 ATOM 365 O PHE 46 -7.425 4.435 2.951 1.00 0.00 ATOM 366 C PHE 46 -7.502 4.841 1.779 1.00 0.00 ATOM 367 N LYS 47 -8.466 5.651 1.337 1.00 0.00 ATOM 368 CA LYS 47 -9.559 6.171 2.170 1.00 0.00 ATOM 369 CB LYS 47 -10.197 5.043 2.983 1.00 0.00 ATOM 370 CG LYS 47 -10.836 3.953 2.137 1.00 0.00 ATOM 371 CD LYS 47 -11.569 2.942 3.003 1.00 0.00 ATOM 372 CE LYS 47 -12.338 1.942 2.153 1.00 0.00 ATOM 373 NZ LYS 47 -11.435 1.151 1.272 1.00 0.00 ATOM 374 O LYS 47 -9.558 7.200 4.350 1.00 0.00 ATOM 375 C LYS 47 -9.148 7.242 3.183 1.00 0.00 ATOM 376 N LEU 48 -8.347 8.205 2.735 1.00 0.00 ATOM 377 CA LEU 48 -7.893 9.297 3.593 1.00 0.00 ATOM 378 CB LEU 48 -6.394 9.171 3.874 1.00 0.00 ATOM 379 CG LEU 48 -5.946 7.901 4.601 1.00 0.00 ATOM 380 CD1 LEU 48 -4.428 7.821 4.660 1.00 0.00 ATOM 381 CD2 LEU 48 -6.480 7.879 6.025 1.00 0.00 ATOM 382 O LEU 48 -8.402 10.698 1.707 1.00 0.00 ATOM 383 C LEU 48 -8.150 10.642 2.912 1.00 0.00 ATOM 384 N SER 49 -8.096 11.729 3.677 1.00 0.00 ATOM 385 CA SER 49 -8.312 13.038 3.080 1.00 0.00 ATOM 386 CB SER 49 -8.435 14.108 4.167 1.00 0.00 ATOM 387 OG SER 49 -7.204 14.294 4.841 1.00 0.00 ATOM 388 O SER 49 -6.020 12.836 2.388 1.00 0.00 ATOM 389 C SER 49 -7.123 13.356 2.184 1.00 0.00 ATOM 390 N LYS 50 -7.346 14.213 1.192 1.00 0.00 ATOM 391 CA LYS 50 -6.300 14.580 0.243 1.00 0.00 ATOM 392 CB LYS 50 -6.824 15.608 -0.761 1.00 0.00 ATOM 393 CG LYS 50 -7.836 15.053 -1.749 1.00 0.00 ATOM 394 CD LYS 50 -8.320 16.128 -2.708 1.00 0.00 ATOM 395 CE LYS 50 -9.337 15.574 -3.693 1.00 0.00 ATOM 396 NZ LYS 50 -9.841 16.624 -4.620 1.00 0.00 ATOM 397 O LYS 50 -3.943 15.019 0.338 1.00 0.00 ATOM 398 C LYS 50 -5.045 15.197 0.858 1.00 0.00 ATOM 399 N THR 51 -5.194 15.912 1.966 1.00 0.00 ATOM 400 CA THR 51 -4.024 16.522 2.582 1.00 0.00 ATOM 401 CB THR 51 -4.423 17.588 3.619 1.00 0.00 ATOM 402 CG2 THR 51 -3.187 18.181 4.277 1.00 0.00 ATOM 403 OG1 THR 51 -5.155 18.638 2.973 1.00 0.00 ATOM 404 O THR 51 -1.944 15.585 3.314 1.00 0.00 ATOM 405 C THR 51 -3.166 15.485 3.303 1.00 0.00 ATOM 406 N THR 52 -3.803 14.483 3.898 1.00 0.00 ATOM 407 CA THR 52 -3.053 13.429 4.576 1.00 0.00 ATOM 408 CB THR 52 -3.992 12.426 5.271 1.00 0.00 ATOM 409 CG2 THR 52 -3.191 11.317 5.934 1.00 0.00 ATOM 410 OG1 THR 52 -4.765 13.102 6.269 1.00 0.00 ATOM 411 O THR 52 -1.032 12.389 3.753 1.00 0.00 ATOM 412 C THR 52 -2.214 12.688 3.529 1.00 0.00 ATOM 413 N VAL 53 -2.830 12.394 2.387 1.00 0.00 ATOM 414 CA VAL 53 -2.141 11.694 1.308 1.00 0.00 ATOM 415 CB VAL 53 -3.094 11.378 0.141 1.00 0.00 ATOM 416 CG1 VAL 53 -2.319 10.832 -1.048 1.00 0.00 ATOM 417 CG2 VAL 53 -4.124 10.340 0.559 1.00 0.00 ATOM 418 O VAL 53 0.080 12.039 0.458 1.00 0.00 ATOM 419 C VAL 53 -1.000 12.545 0.764 1.00 0.00 ATOM 420 N GLU 54 -1.238 13.847 0.632 1.00 0.00 ATOM 421 CA GLU 54 -0.209 14.743 0.124 1.00 0.00 ATOM 422 CB GLU 54 -0.728 16.182 0.075 1.00 0.00 ATOM 423 CG GLU 54 -1.776 16.428 -0.998 1.00 0.00 ATOM 424 CD GLU 54 -2.354 17.828 -0.937 1.00 0.00 ATOM 425 OE1 GLU 54 -1.991 18.581 -0.010 1.00 0.00 ATOM 426 OE2 GLU 54 -3.172 18.172 -1.816 1.00 0.00 ATOM 427 O GLU 54 2.161 14.657 0.568 1.00 0.00 ATOM 428 C GLU 54 1.020 14.690 1.040 1.00 0.00 ATOM 429 N ASN 55 0.775 14.672 2.349 1.00 0.00 ATOM 430 CA ASN 55 1.847 14.611 3.342 1.00 0.00 ATOM 431 CB ASN 55 1.272 14.689 4.757 1.00 0.00 ATOM 432 CG ASN 55 0.775 16.077 5.109 1.00 0.00 ATOM 433 ND2 ASN 55 -0.080 16.160 6.123 1.00 0.00 ATOM 434 OD1 ASN 55 1.156 17.062 4.477 1.00 0.00 ATOM 435 O ASN 55 3.862 13.323 3.263 1.00 0.00 ATOM 436 C ASN 55 2.636 13.313 3.225 1.00 0.00 ATOM 437 N SER 56 1.921 12.202 3.087 1.00 0.00 ATOM 438 CA SER 56 2.549 10.893 2.978 1.00 0.00 ATOM 439 CB SER 56 1.488 9.789 2.967 1.00 0.00 ATOM 440 OG SER 56 0.809 9.723 4.209 1.00 0.00 ATOM 441 O SER 56 4.478 10.294 1.703 1.00 0.00 ATOM 442 C SER 56 3.355 10.794 1.699 1.00 0.00 ATOM 443 N LEU 57 2.768 11.263 0.601 1.00 0.00 ATOM 444 CA LEU 57 3.435 11.227 -0.691 1.00 0.00 ATOM 445 CB LEU 57 2.494 11.715 -1.794 1.00 0.00 ATOM 446 CG LEU 57 1.316 10.798 -2.135 1.00 0.00 ATOM 447 CD1 LEU 57 0.368 11.483 -3.108 1.00 0.00 ATOM 448 CD2 LEU 57 1.807 9.509 -2.775 1.00 0.00 ATOM 449 O LEU 57 5.688 11.807 -1.271 1.00 0.00 ATOM 450 C LEU 57 4.667 12.124 -0.667 1.00 0.00 ATOM 451 N LYS 58 4.563 13.242 0.041 1.00 0.00 ATOM 452 CA LYS 58 5.673 14.179 0.156 1.00 0.00 ATOM 453 CB LYS 58 5.240 15.433 0.920 1.00 0.00 ATOM 454 CG LYS 58 6.322 16.494 1.033 1.00 0.00 ATOM 455 CD LYS 58 5.799 17.745 1.719 1.00 0.00 ATOM 456 CE LYS 58 6.885 18.797 1.855 1.00 0.00 ATOM 457 NZ LYS 58 6.391 20.022 2.544 1.00 0.00 ATOM 458 O LYS 58 8.002 13.715 0.538 1.00 0.00 ATOM 459 C LYS 58 6.835 13.537 0.903 1.00 0.00 ATOM 460 N LYS 59 6.517 12.799 1.963 1.00 0.00 ATOM 461 CA LYS 59 7.552 12.139 2.751 1.00 0.00 ATOM 462 CB LYS 59 6.951 11.520 4.015 1.00 0.00 ATOM 463 CG LYS 59 6.500 12.538 5.049 1.00 0.00 ATOM 464 CD LYS 59 5.920 11.857 6.277 1.00 0.00 ATOM 465 CE LYS 59 5.436 12.874 7.297 1.00 0.00 ATOM 466 NZ LYS 59 4.843 12.221 8.498 1.00 0.00 ATOM 467 O LYS 59 9.438 10.855 1.980 1.00 0.00 ATOM 468 C LYS 59 8.219 11.023 1.935 1.00 0.00 ATOM 469 N LEU 60 7.426 10.270 1.178 1.00 0.00 ATOM 470 CA LEU 60 7.976 9.197 0.352 1.00 0.00 ATOM 471 CB LEU 60 6.855 8.463 -0.387 1.00 0.00 ATOM 472 CG LEU 60 5.918 7.614 0.473 1.00 0.00 ATOM 473 CD1 LEU 60 4.754 7.091 -0.355 1.00 0.00 ATOM 474 CD2 LEU 60 6.658 6.421 1.058 1.00 0.00 ATOM 475 O LEU 60 9.970 9.159 -0.971 1.00 0.00 ATOM 476 C LEU 60 8.944 9.761 -0.677 1.00 0.00 ATOM 477 N ILE 61 8.609 10.919 -1.235 1.00 0.00 ATOM 478 CA ILE 61 9.476 11.532 -2.225 1.00 0.00 ATOM 479 CB ILE 61 8.828 12.784 -2.846 1.00 0.00 ATOM 480 CG1 ILE 61 7.611 12.393 -3.687 1.00 0.00 ATOM 481 CG2 ILE 61 9.822 13.511 -3.739 1.00 0.00 ATOM 482 CD1 ILE 61 6.764 13.570 -4.115 1.00 0.00 ATOM 483 O ILE 61 11.872 11.724 -2.125 1.00 0.00 ATOM 484 C ILE 61 10.796 11.948 -1.569 1.00 0.00 ATOM 485 N GLU 62 10.706 12.541 -0.383 1.00 0.00 ATOM 486 CA GLU 62 11.892 12.983 0.339 1.00 0.00 ATOM 487 CB GLU 62 11.496 13.710 1.626 1.00 0.00 ATOM 488 CG GLU 62 10.867 15.074 1.399 1.00 0.00 ATOM 489 CD GLU 62 10.401 15.723 2.688 1.00 0.00 ATOM 490 OE1 GLU 62 10.507 15.075 3.751 1.00 0.00 ATOM 491 OE2 GLU 62 9.931 16.879 2.637 1.00 0.00 ATOM 492 O GLU 62 13.994 11.915 0.728 1.00 0.00 ATOM 493 C GLU 62 12.773 11.799 0.713 1.00 0.00 ATOM 494 N LEU 63 12.160 10.660 1.022 1.00 0.00 ATOM 495 CA LEU 63 12.949 9.489 1.381 1.00 0.00 ATOM 496 CB LEU 63 12.156 8.579 2.324 1.00 0.00 ATOM 497 CG LEU 63 11.747 9.186 3.667 1.00 0.00 ATOM 498 CD1 LEU 63 10.892 8.210 4.459 1.00 0.00 ATOM 499 CD2 LEU 63 12.975 9.527 4.499 1.00 0.00 ATOM 500 O LEU 63 13.826 7.518 0.310 1.00 0.00 ATOM 501 C LEU 63 13.348 8.647 0.165 1.00 0.00 ATOM 502 N GLY 64 13.143 9.218 -1.022 1.00 0.00 ATOM 503 CA GLY 64 13.525 8.593 -2.285 1.00 0.00 ATOM 504 O GLY 64 13.384 6.608 -3.597 1.00 0.00 ATOM 505 C GLY 64 12.812 7.357 -2.801 1.00 0.00 ATOM 506 N LEU 65 11.564 7.162 -2.383 1.00 0.00 ATOM 507 CA LEU 65 10.768 6.005 -2.779 1.00 0.00 ATOM 508 CB LEU 65 9.792 5.620 -1.665 1.00 0.00 ATOM 509 CG LEU 65 10.414 5.186 -0.337 1.00 0.00 ATOM 510 CD1 LEU 65 9.335 4.928 0.704 1.00 0.00 ATOM 511 CD2 LEU 65 11.220 3.909 -0.513 1.00 0.00 ATOM 512 O LEU 65 9.627 5.315 -4.763 1.00 0.00 ATOM 513 C LEU 65 9.942 6.248 -4.032 1.00 0.00 ATOM 514 N VAL 66 9.590 7.504 -4.271 1.00 0.00 ATOM 515 CA VAL 66 8.778 7.846 -5.428 1.00 0.00 ATOM 516 CB VAL 66 7.289 7.965 -5.056 1.00 0.00 ATOM 517 CG1 VAL 66 6.762 6.636 -4.537 1.00 0.00 ATOM 518 CG2 VAL 66 7.092 9.016 -3.975 1.00 0.00 ATOM 519 O VAL 66 9.975 9.922 -5.425 1.00 0.00 ATOM 520 C VAL 66 9.205 9.171 -6.028 1.00 0.00 ATOM 521 N VAL 67 8.724 9.439 -7.236 1.00 0.00 ATOM 522 CA VAL 67 8.978 10.723 -7.876 1.00 0.00 ATOM 523 CB VAL 67 10.100 10.618 -8.927 1.00 0.00 ATOM 524 CG1 VAL 67 11.409 10.211 -8.268 1.00 0.00 ATOM 525 CG2 VAL 67 9.748 9.577 -9.980 1.00 0.00 ATOM 526 O VAL 67 6.809 10.281 -8.799 1.00 0.00 ATOM 527 C VAL 67 7.668 11.126 -8.542 1.00 0.00 ATOM 528 N ARG 68 7.507 12.419 -8.800 1.00 0.00 ATOM 529 CA ARG 68 6.277 12.922 -9.396 1.00 0.00 ATOM 530 CB ARG 68 5.533 13.823 -8.409 1.00 0.00 ATOM 531 CG ARG 68 5.020 13.101 -7.173 1.00 0.00 ATOM 532 CD ARG 68 4.185 14.025 -6.301 1.00 0.00 ATOM 533 NE ARG 68 2.936 14.411 -6.953 1.00 0.00 ATOM 534 CZ ARG 68 1.799 13.730 -6.853 1.00 0.00 ATOM 535 NH1 ARG 68 0.712 14.158 -7.482 1.00 0.00 ATOM 536 NH2 ARG 68 1.751 12.622 -6.125 1.00 0.00 ATOM 537 O ARG 68 7.245 14.730 -10.620 1.00 0.00 ATOM 538 C ARG 68 6.518 13.736 -10.648 1.00 0.00 ATOM 539 N THR 69 5.901 13.328 -11.750 1.00 0.00 ATOM 540 CA THR 69 6.073 14.064 -12.993 1.00 0.00 ATOM 541 CB THR 69 6.301 13.114 -14.183 1.00 0.00 ATOM 542 CG2 THR 69 6.449 13.905 -15.474 1.00 0.00 ATOM 543 OG1 THR 69 7.493 12.351 -13.968 1.00 0.00 ATOM 544 O THR 69 3.704 14.393 -13.231 1.00 0.00 ATOM 545 C THR 69 4.829 14.897 -13.279 1.00 0.00 ATOM 546 N LYS 70 5.038 16.179 -13.562 1.00 0.00 ATOM 547 CA LYS 70 3.936 17.089 -13.851 1.00 0.00 ATOM 548 CB LYS 70 4.407 18.543 -13.771 1.00 0.00 ATOM 549 CG LYS 70 4.781 18.998 -12.369 1.00 0.00 ATOM 550 CD LYS 70 5.197 20.460 -12.355 1.00 0.00 ATOM 551 CE LYS 70 5.627 20.899 -10.965 1.00 0.00 ATOM 552 NZ LYS 70 6.041 22.329 -10.938 1.00 0.00 ATOM 553 O LYS 70 4.141 16.595 -16.189 1.00 0.00 ATOM 554 C LYS 70 3.385 16.845 -15.246 1.00 0.00 ATOM 555 N THR 71 2.065 16.917 -15.369 1.00 0.00 ATOM 556 CA THR 71 1.396 16.722 -16.648 1.00 0.00 ATOM 557 CB THR 71 -0.130 16.609 -16.475 1.00 0.00 ATOM 558 CG2 THR 71 -0.807 16.426 -17.825 1.00 0.00 ATOM 559 OG1 THR 71 -0.438 15.482 -15.646 1.00 0.00 ATOM 560 O THR 71 1.837 19.045 -17.062 1.00 0.00 ATOM 561 C THR 71 1.707 17.921 -17.547 1.00 0.00 ATOM 562 N GLU 72 1.821 17.677 -18.851 1.00 0.00 ATOM 563 CA GLU 72 2.121 18.737 -19.813 1.00 0.00 ATOM 564 CB GLU 72 2.365 18.146 -21.202 1.00 0.00 ATOM 565 CG GLU 72 3.658 17.355 -21.323 1.00 0.00 ATOM 566 CD GLU 72 3.807 16.683 -22.673 1.00 0.00 ATOM 567 OE1 GLU 72 2.867 16.775 -23.489 1.00 0.00 ATOM 568 OE2 GLU 72 4.865 16.064 -22.915 1.00 0.00 ATOM 569 O GLU 72 1.230 20.962 -20.017 1.00 0.00 ATOM 570 C GLU 72 0.992 19.757 -19.951 1.00 0.00 ATOM 571 N GLY 73 -0.243 19.274 -20.003 1.00 0.00 ATOM 572 CA GLY 73 -1.392 20.159 -20.149 1.00 0.00 ATOM 573 O GLY 73 -2.229 22.052 -18.936 1.00 0.00 ATOM 574 C GLY 73 -1.733 20.929 -18.876 1.00 0.00 ATOM 575 N LYS 74 -1.464 20.330 -17.721 1.00 0.00 ATOM 576 CA LYS 74 -1.789 20.969 -16.457 1.00 0.00 ATOM 577 CB LYS 74 -3.147 20.485 -15.945 1.00 0.00 ATOM 578 CG LYS 74 -4.323 20.912 -16.806 1.00 0.00 ATOM 579 CD LYS 74 -5.647 20.532 -16.162 1.00 0.00 ATOM 580 CE LYS 74 -6.824 20.993 -17.005 1.00 0.00 ATOM 581 NZ LYS 74 -8.095 20.341 -16.587 1.00 0.00 ATOM 582 O LYS 74 -0.822 19.633 -14.707 1.00 0.00 ATOM 583 C LYS 74 -0.754 20.662 -15.383 1.00 0.00 ATOM 584 N LYS 75 0.195 21.584 -15.237 1.00 0.00 ATOM 585 CA LYS 75 1.298 21.486 -14.287 1.00 0.00 ATOM 586 CB LYS 75 2.000 22.838 -14.138 1.00 0.00 ATOM 587 CG LYS 75 2.804 23.255 -15.359 1.00 0.00 ATOM 588 CD LYS 75 3.477 24.602 -15.141 1.00 0.00 ATOM 589 CE LYS 75 4.246 25.039 -16.376 1.00 0.00 ATOM 590 NZ LYS 75 4.907 26.360 -16.180 1.00 0.00 ATOM 591 O LYS 75 1.674 20.446 -12.148 1.00 0.00 ATOM 592 C LYS 75 0.887 21.059 -12.871 1.00 0.00 ATOM 593 N ILE 76 -0.343 21.374 -12.481 1.00 0.00 ATOM 594 CA ILE 76 -0.830 21.047 -11.144 1.00 0.00 ATOM 595 CB ILE 76 -2.099 21.846 -10.794 1.00 0.00 ATOM 596 CG1 ILE 76 -3.244 21.467 -11.735 1.00 0.00 ATOM 597 CG2 ILE 76 -1.840 23.339 -10.926 1.00 0.00 ATOM 598 CD1 ILE 76 -4.576 22.070 -11.347 1.00 0.00 ATOM 599 O ILE 76 -1.455 19.153 -9.814 1.00 0.00 ATOM 600 C ILE 76 -1.200 19.581 -10.939 1.00 0.00 ATOM 601 N GLY 77 -1.252 18.820 -12.026 1.00 0.00 ATOM 602 CA GLY 77 -1.558 17.399 -11.951 1.00 0.00 ATOM 603 O GLY 77 0.589 16.822 -12.860 1.00 0.00 ATOM 604 C GLY 77 -0.225 16.649 -11.954 1.00 0.00 ATOM 605 N ARG 78 0.006 15.825 -10.938 1.00 0.00 ATOM 606 CA ARG 78 1.251 15.071 -10.860 1.00 0.00 ATOM 607 CB ARG 78 2.028 15.449 -9.598 1.00 0.00 ATOM 608 CG ARG 78 2.554 16.875 -9.597 1.00 0.00 ATOM 609 CD ARG 78 3.325 17.178 -8.322 1.00 0.00 ATOM 610 NE ARG 78 3.886 18.528 -8.330 1.00 0.00 ATOM 611 CZ ARG 78 4.537 19.072 -7.307 1.00 0.00 ATOM 612 NH1 ARG 78 5.012 20.307 -7.405 1.00 0.00 ATOM 613 NH2 ARG 78 4.710 18.381 -6.188 1.00 0.00 ATOM 614 O ARG 78 0.208 13.076 -10.021 1.00 0.00 ATOM 615 C ARG 78 1.006 13.567 -10.818 1.00 0.00 ATOM 616 N PRO 79 1.680 12.841 -11.703 1.00 0.00 ATOM 617 CA PRO 79 1.548 11.392 -11.755 1.00 0.00 ATOM 618 CB PRO 79 1.648 11.065 -13.247 1.00 0.00 ATOM 619 CG PRO 79 1.403 12.368 -13.932 1.00 0.00 ATOM 620 CD PRO 79 1.969 13.427 -13.028 1.00 0.00 ATOM 621 O PRO 79 3.846 11.202 -11.135 1.00 0.00 ATOM 622 C PRO 79 2.699 10.834 -10.935 1.00 0.00 ATOM 623 N LYS 80 2.375 9.932 -10.019 1.00 0.00 ATOM 624 CA LYS 80 3.352 9.362 -9.098 1.00 0.00 ATOM 625 CB LYS 80 2.726 9.147 -7.719 1.00 0.00 ATOM 626 CG LYS 80 2.316 10.432 -7.016 1.00 0.00 ATOM 627 CD LYS 80 1.629 10.142 -5.692 1.00 0.00 ATOM 628 CE LYS 80 0.181 9.728 -5.900 1.00 0.00 ATOM 629 NZ LYS 80 -0.657 10.861 -6.379 1.00 0.00 ATOM 630 O LYS 80 3.146 7.110 -9.857 1.00 0.00 ATOM 631 C LYS 80 3.905 8.017 -9.535 1.00 0.00 ATOM 632 N TYR 81 5.232 7.899 -9.523 1.00 0.00 ATOM 633 CA TYR 81 5.921 6.675 -9.926 1.00 0.00 ATOM 634 CB TYR 81 6.646 6.882 -11.257 1.00 0.00 ATOM 635 CG TYR 81 5.725 7.209 -12.412 1.00 0.00 ATOM 636 CD1 TYR 81 5.389 8.525 -12.703 1.00 0.00 ATOM 637 CD2 TYR 81 5.196 6.200 -13.206 1.00 0.00 ATOM 638 CE1 TYR 81 4.548 8.833 -13.755 1.00 0.00 ATOM 639 CE2 TYR 81 4.352 6.490 -14.263 1.00 0.00 ATOM 640 CZ TYR 81 4.032 7.818 -14.533 1.00 0.00 ATOM 641 OH TYR 81 3.194 8.123 -15.581 1.00 0.00 ATOM 642 O TYR 81 7.532 7.096 -8.217 1.00 0.00 ATOM 643 C TYR 81 6.948 6.259 -8.894 1.00 0.00 ATOM 644 N TYR 82 7.183 4.959 -8.795 1.00 0.00 ATOM 645 CA TYR 82 8.177 4.457 -7.861 1.00 0.00 ATOM 646 CB TYR 82 7.942 2.973 -7.574 1.00 0.00 ATOM 647 CG TYR 82 6.732 2.700 -6.708 1.00 0.00 ATOM 648 CD1 TYR 82 5.512 2.355 -7.277 1.00 0.00 ATOM 649 CD2 TYR 82 6.812 2.792 -5.324 1.00 0.00 ATOM 650 CE1 TYR 82 4.402 2.104 -6.493 1.00 0.00 ATOM 651 CE2 TYR 82 5.712 2.545 -4.525 1.00 0.00 ATOM 652 CZ TYR 82 4.501 2.200 -5.123 1.00 0.00 ATOM 653 OH TYR 82 3.397 1.951 -4.340 1.00 0.00 ATOM 654 O TYR 82 9.780 4.462 -9.652 1.00 0.00 ATOM 655 C TYR 82 9.567 4.625 -8.446 1.00 0.00 ATOM 656 N TYR 83 10.508 4.977 -7.581 1.00 0.00 ATOM 657 CA TYR 83 11.899 5.114 -7.968 1.00 0.00 ATOM 658 CB TYR 83 12.641 6.027 -6.989 1.00 0.00 ATOM 659 CG TYR 83 12.210 7.474 -7.056 1.00 0.00 ATOM 660 CD1 TYR 83 11.349 8.004 -6.103 1.00 0.00 ATOM 661 CD2 TYR 83 12.664 8.307 -8.071 1.00 0.00 ATOM 662 CE1 TYR 83 10.950 9.326 -6.155 1.00 0.00 ATOM 663 CE2 TYR 83 12.275 9.630 -8.140 1.00 0.00 ATOM 664 CZ TYR 83 11.410 10.137 -7.171 1.00 0.00 ATOM 665 OH TYR 83 11.014 11.454 -7.225 1.00 0.00 ATOM 666 O TYR 83 11.766 2.727 -7.640 1.00 0.00 ATOM 667 C TYR 83 12.479 3.696 -7.938 1.00 0.00 ATOM 668 N SER 84 13.765 3.576 -8.245 1.00 0.00 ATOM 669 CA SER 84 14.431 2.276 -8.208 1.00 0.00 ATOM 670 CB SER 84 15.904 2.418 -8.592 1.00 0.00 ATOM 671 OG SER 84 16.043 2.816 -9.945 1.00 0.00 ATOM 672 O SER 84 14.075 0.527 -6.590 1.00 0.00 ATOM 673 C SER 84 14.325 1.719 -6.784 1.00 0.00 ATOM 674 N ILE 85 14.510 2.585 -5.790 1.00 0.00 ATOM 675 CA ILE 85 14.429 2.167 -4.388 1.00 0.00 ATOM 676 CB ILE 85 14.742 3.334 -3.432 1.00 0.00 ATOM 677 CG1 ILE 85 16.212 3.741 -3.551 1.00 0.00 ATOM 678 CG2 ILE 85 14.468 2.929 -1.991 1.00 0.00 ATOM 679 CD1 ILE 85 16.544 5.041 -2.850 1.00 0.00 ATOM 680 O ILE 85 12.873 0.624 -3.390 1.00 0.00 ATOM 681 C ILE 85 13.030 1.653 -4.051 1.00 0.00 ATOM 682 N SER 86 12.011 2.372 -4.513 1.00 0.00 ATOM 683 CA SER 86 10.647 1.964 -4.240 1.00 0.00 ATOM 684 CB SER 86 9.659 2.977 -4.821 1.00 0.00 ATOM 685 OG SER 86 8.320 2.583 -4.576 1.00 0.00 ATOM 686 O SER 86 9.681 -0.217 -4.195 1.00 0.00 ATOM 687 C SER 86 10.321 0.618 -4.840 1.00 0.00 ATOM 688 N SER 87 10.775 0.394 -6.069 1.00 0.00 ATOM 689 CA SER 87 10.517 -0.869 -6.750 1.00 0.00 ATOM 690 CB SER 87 10.979 -0.795 -8.208 1.00 0.00 ATOM 691 OG SER 87 10.202 0.137 -8.941 1.00 0.00 ATOM 692 O SER 87 10.724 -3.151 -6.031 1.00 0.00 ATOM 693 C SER 87 11.249 -2.031 -6.093 1.00 0.00 ATOM 694 N ASN 88 12.452 -1.768 -5.592 1.00 0.00 ATOM 695 CA ASN 88 13.240 -2.809 -4.943 1.00 0.00 ATOM 696 CB ASN 88 14.664 -2.317 -4.676 1.00 0.00 ATOM 697 CG ASN 88 15.492 -2.215 -5.942 1.00 0.00 ATOM 698 ND2 ASN 88 16.553 -1.417 -5.891 1.00 0.00 ATOM 699 OD1 ASN 88 15.182 -2.846 -6.952 1.00 0.00 ATOM 700 O ASN 88 12.752 -4.412 -3.241 1.00 0.00 ATOM 701 C ASN 88 12.653 -3.240 -3.610 1.00 0.00 ATOM 702 N ILE 89 12.046 -2.296 -2.891 1.00 0.00 ATOM 703 CA ILE 89 11.471 -2.579 -1.580 1.00 0.00 ATOM 704 CB ILE 89 11.405 -1.311 -0.708 1.00 0.00 ATOM 705 CG1 ILE 89 12.814 -0.811 -0.385 1.00 0.00 ATOM 706 CG2 ILE 89 10.684 -1.601 0.600 1.00 0.00 ATOM 707 CD1 ILE 89 12.843 0.552 0.269 1.00 0.00 ATOM 708 O ILE 89 9.647 -3.941 -0.819 1.00 0.00 ATOM 709 C ILE 89 10.050 -3.128 -1.654 1.00 0.00 ATOM 710 N LEU 90 9.299 -2.685 -2.656 1.00 0.00 ATOM 711 CA LEU 90 7.920 -3.122 -2.851 1.00 0.00 ATOM 712 CB LEU 90 7.459 -2.817 -4.277 1.00 0.00 ATOM 713 CG LEU 90 7.134 -1.354 -4.587 1.00 0.00 ATOM 714 CD1 LEU 90 6.835 -1.172 -6.068 1.00 0.00 ATOM 715 CD2 LEU 90 5.919 -0.894 -3.797 1.00 0.00 ATOM 716 O LEU 90 6.825 -5.031 -1.856 1.00 0.00 ATOM 717 C LEU 90 7.697 -4.635 -2.633 1.00 0.00 ATOM 718 N GLU 91 8.497 -5.498 -3.286 1.00 0.00 ATOM 719 CA GLU 91 8.320 -6.949 -3.113 1.00 0.00 ATOM 720 CB GLU 91 9.430 -7.714 -3.838 1.00 0.00 ATOM 721 CG GLU 91 9.295 -9.226 -3.760 1.00 0.00 ATOM 722 CD GLU 91 10.375 -9.948 -4.541 1.00 0.00 ATOM 723 OE1 GLU 91 11.217 -9.265 -5.161 1.00 0.00 ATOM 724 OE2 GLU 91 10.379 -11.196 -4.532 1.00 0.00 ATOM 725 O GLU 91 7.595 -8.283 -1.241 1.00 0.00 ATOM 726 C GLU 91 8.353 -7.397 -1.653 1.00 0.00 ATOM 727 N LYS 92 9.242 -6.797 -0.872 1.00 0.00 ATOM 728 CA LYS 92 9.355 -7.131 0.540 1.00 0.00 ATOM 729 CB LYS 92 10.472 -6.318 1.196 1.00 0.00 ATOM 730 CG LYS 92 11.871 -6.714 0.756 1.00 0.00 ATOM 731 CD LYS 92 12.929 -5.867 1.443 1.00 0.00 ATOM 732 CE LYS 92 14.326 -6.249 0.983 1.00 0.00 ATOM 733 NZ LYS 92 15.371 -5.402 1.621 1.00 0.00 ATOM 734 O LYS 92 7.484 -7.632 1.967 1.00 0.00 ATOM 735 C LYS 92 8.028 -6.812 1.226 1.00 0.00 ATOM 736 N ILE 93 7.508 -5.617 0.973 1.00 0.00 ATOM 737 CA ILE 93 6.241 -5.209 1.569 1.00 0.00 ATOM 738 CB ILE 93 5.842 -3.787 1.133 1.00 0.00 ATOM 739 CG1 ILE 93 6.808 -2.759 1.724 1.00 0.00 ATOM 740 CG2 ILE 93 4.436 -3.457 1.609 1.00 0.00 ATOM 741 CD1 ILE 93 6.656 -1.371 1.139 1.00 0.00 ATOM 742 O ILE 93 4.308 -6.570 1.980 1.00 0.00 ATOM 743 C ILE 93 5.113 -6.158 1.150 1.00 0.00 ATOM 744 N ARG 94 5.074 -6.510 -0.131 1.00 0.00 ATOM 745 CA ARG 94 4.049 -7.412 -0.658 1.00 0.00 ATOM 746 CB ARG 94 4.306 -7.709 -2.137 1.00 0.00 ATOM 747 CG ARG 94 4.048 -6.530 -3.060 1.00 0.00 ATOM 748 CD ARG 94 4.366 -6.880 -4.505 1.00 0.00 ATOM 749 NE ARG 94 4.171 -5.742 -5.400 1.00 0.00 ATOM 750 CZ ARG 94 4.430 -5.763 -6.703 1.00 0.00 ATOM 751 NH1 ARG 94 4.221 -4.679 -7.438 1.00 0.00 ATOM 752 NH2 ARG 94 4.899 -6.867 -7.268 1.00 0.00 ATOM 753 O ARG 94 3.003 -9.242 0.520 1.00 0.00 ATOM 754 C ARG 94 4.056 -8.735 0.110 1.00 0.00 ATOM 755 N ASN 95 5.245 -9.295 0.306 1.00 0.00 ATOM 756 CA ASN 95 5.358 -10.566 1.014 1.00 0.00 ATOM 757 CB ASN 95 6.761 -11.152 0.842 1.00 0.00 ATOM 758 CG ASN 95 7.000 -11.692 -0.554 1.00 0.00 ATOM 759 ND2 ASN 95 8.268 -11.818 -0.928 1.00 0.00 ATOM 760 OD1 ASN 95 6.056 -11.991 -1.285 1.00 0.00 ATOM 761 O ASN 95 4.566 -11.330 3.148 1.00 0.00 ATOM 762 C ASN 95 5.101 -10.420 2.512 1.00 0.00 ATOM 763 N ASP 96 5.456 -9.274 3.084 1.00 0.00 ATOM 764 CA ASP 96 5.207 -9.065 4.504 1.00 0.00 ATOM 765 CB ASP 96 5.887 -7.782 4.985 1.00 0.00 ATOM 766 CG ASP 96 7.393 -7.921 5.082 1.00 0.00 ATOM 767 OD1 ASP 96 7.890 -9.066 5.017 1.00 0.00 ATOM 768 OD2 ASP 96 8.078 -6.886 5.220 1.00 0.00 ATOM 769 O ASP 96 3.201 -9.422 5.784 1.00 0.00 ATOM 770 C ASP 96 3.701 -8.949 4.759 1.00 0.00 ATOM 771 N LEU 97 2.986 -8.329 3.821 1.00 0.00 ATOM 772 CA LEU 97 1.537 -8.181 3.945 1.00 0.00 ATOM 773 CB LEU 97 0.996 -7.267 2.844 1.00 0.00 ATOM 774 CG LEU 97 1.382 -5.789 2.939 1.00 0.00 ATOM 775 CD1 LEU 97 0.932 -5.036 1.697 1.00 0.00 ATOM 776 CD2 LEU 97 0.732 -5.140 4.150 1.00 0.00 ATOM 777 O LEU 97 -0.072 -9.867 4.545 1.00 0.00 ATOM 778 C LEU 97 0.881 -9.559 3.822 1.00 0.00 ATOM 779 N LEU 98 1.393 -10.381 2.905 1.00 0.00 ATOM 780 CA LEU 98 0.866 -11.732 2.700 1.00 0.00 ATOM 781 CB LEU 98 1.626 -12.436 1.573 1.00 0.00 ATOM 782 CG LEU 98 1.395 -11.898 0.161 1.00 0.00 ATOM 783 CD1 LEU 98 2.339 -12.564 -0.829 1.00 0.00 ATOM 784 CD2 LEU 98 -0.033 -12.167 -0.291 1.00 0.00 ATOM 785 O LEU 98 0.148 -13.321 4.354 1.00 0.00 ATOM 786 C LEU 98 1.025 -12.534 3.984 1.00 0.00 ATOM 787 N ASN 99 2.150 -12.339 4.663 1.00 0.00 ATOM 788 CA ASN 99 2.399 -13.052 5.906 1.00 0.00 ATOM 789 CB ASN 99 3.827 -12.797 6.393 1.00 0.00 ATOM 790 CG ASN 99 4.866 -13.515 5.555 1.00 0.00 ATOM 791 ND2 ASN 99 6.104 -13.035 5.610 1.00 0.00 ATOM 792 OD1 ASN 99 4.558 -14.489 4.867 1.00 0.00 ATOM 793 O ASN 99 0.944 -13.396 7.788 1.00 0.00 ATOM 794 C ASN 99 1.433 -12.593 6.989 1.00 0.00 ATOM 795 N CYS 100 1.155 -11.294 7.007 1.00 0.00 ATOM 796 CA CYS 100 0.233 -10.737 7.984 1.00 0.00 ATOM 797 CB CYS 100 0.121 -9.221 7.811 1.00 0.00 ATOM 798 SG CYS 100 1.611 -8.305 8.266 1.00 0.00 ATOM 799 O CYS 100 -1.815 -11.633 8.807 1.00 0.00 ATOM 800 C CYS 100 -1.153 -11.344 7.816 1.00 0.00 ATOM 801 N ALA 101 -1.590 -11.533 6.571 1.00 0.00 ATOM 802 CA ALA 101 -2.901 -12.133 6.322 1.00 0.00 ATOM 803 CB ALA 101 -3.200 -12.155 4.831 1.00 0.00 ATOM 804 O ALA 101 -3.888 -13.995 7.486 1.00 0.00 ATOM 805 C ALA 101 -2.914 -13.567 6.854 1.00 0.00 ATOM 806 N LYS 102 -1.836 -14.310 6.614 1.00 0.00 ATOM 807 CA LYS 102 -1.782 -15.688 7.090 1.00 0.00 ATOM 808 CB LYS 102 -0.476 -16.355 6.651 1.00 0.00 ATOM 809 CG LYS 102 -0.395 -16.634 5.159 1.00 0.00 ATOM 810 CD LYS 102 0.924 -17.298 4.793 1.00 0.00 ATOM 811 CE LYS 102 1.017 -17.555 3.298 1.00 0.00 ATOM 812 NZ LYS 102 2.316 -18.175 2.920 1.00 0.00 ATOM 813 O LYS 102 -2.496 -16.655 9.159 1.00 0.00 ATOM 814 C LYS 102 -1.853 -15.765 8.608 1.00 0.00 ATOM 815 N ARG 103 -1.184 -14.840 9.288 1.00 0.00 ATOM 816 CA ARG 103 -1.209 -14.815 10.741 1.00 0.00 ATOM 817 CB ARG 103 -0.242 -13.756 11.275 1.00 0.00 ATOM 818 CG ARG 103 1.226 -14.109 11.094 1.00 0.00 ATOM 819 CD ARG 103 2.128 -12.994 11.599 1.00 0.00 ATOM 820 NE ARG 103 3.543 -13.306 11.409 1.00 0.00 ATOM 821 CZ ARG 103 4.538 -12.493 11.745 1.00 0.00 ATOM 822 NH1 ARG 103 5.795 -12.861 11.534 1.00 0.00 ATOM 823 NH2 ARG 103 4.276 -11.314 12.292 1.00 0.00 ATOM 824 O ARG 103 -3.135 -15.139 12.136 1.00 0.00 ATOM 825 C ARG 103 -2.614 -14.486 11.236 1.00 0.00 ATOM 826 N MET 104 -3.231 -13.485 10.617 1.00 0.00 ATOM 827 CA MET 104 -4.571 -13.056 10.991 1.00 0.00 ATOM 828 CB MET 104 -4.994 -11.841 10.163 1.00 0.00 ATOM 829 CG MET 104 -4.236 -10.566 10.497 1.00 0.00 ATOM 830 SD MET 104 -4.693 -9.185 9.432 1.00 0.00 ATOM 831 CE MET 104 -6.370 -8.873 9.983 1.00 0.00 ATOM 832 O MET 104 -6.564 -14.241 11.602 1.00 0.00 ATOM 833 C MET 104 -5.647 -14.118 10.785 1.00 0.00 ATOM 834 N GLU 105 -5.527 -14.878 9.699 1.00 0.00 ATOM 835 CA GLU 105 -6.509 -15.890 9.335 1.00 0.00 ATOM 836 CB GLU 105 -6.555 -16.072 7.818 1.00 0.00 ATOM 837 CG GLU 105 -7.066 -14.856 7.061 1.00 0.00 ATOM 838 CD GLU 105 -7.060 -15.060 5.560 1.00 0.00 ATOM 839 OE1 GLU 105 -6.697 -16.168 5.111 1.00 0.00 ATOM 840 OE2 GLU 105 -7.419 -14.111 4.830 1.00 0.00 ATOM 841 O GLU 105 -7.026 -18.225 9.539 1.00 0.00 ATOM 842 C GLU 105 -6.292 -17.294 9.898 1.00 0.00 ATOM 843 N LEU 106 -5.302 -17.448 10.773 1.00 0.00 ATOM 844 CA LEU 106 -5.022 -18.750 11.382 1.00 0.00 ATOM 845 CB LEU 106 -4.028 -18.598 12.536 1.00 0.00 ATOM 846 CG LEU 106 -3.566 -19.893 13.208 1.00 0.00 ATOM 847 CD1 LEU 106 -2.777 -20.752 12.231 1.00 0.00 ATOM 848 CD2 LEU 106 -2.677 -19.591 14.403 1.00 0.00 ATOM 849 O LEU 106 -7.063 -18.733 12.659 1.00 0.00 ATOM 850 C LEU 106 -6.300 -19.388 11.936 1.00 0.00 ATOM 851 N ALA 107 -6.534 -20.651 11.581 1.00 0.00 ATOM 852 CA ALA 107 -7.703 -21.370 12.064 1.00 0.00 ATOM 853 CB ALA 107 -8.156 -20.807 13.403 1.00 0.00 ATOM 854 O ALA 107 -9.771 -22.260 11.265 1.00 0.00 ATOM 855 C ALA 107 -8.948 -21.346 11.192 1.00 0.00 ATOM 856 N ALA 108 -9.090 -20.311 10.367 1.00 0.00 ATOM 857 CA ALA 108 -10.255 -20.185 9.497 1.00 0.00 ATOM 858 CB ALA 108 -10.449 -18.735 9.078 1.00 0.00 ATOM 859 O ALA 108 -9.071 -21.038 7.591 1.00 0.00 ATOM 860 C ALA 108 -10.124 -21.011 8.226 1.00 0.00 TER END