PFRMAT TS TARGET T0261 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 Since information about T0261 was leaked, and we're not interested in METHOD how good a job we can do of reverse-engineering pictures, we put no METHOD effort at all into T0261, and are submitting only the fully automatic METHOD predictions, bad as they are. METHOD METHOD This model was created by using SCWRL to optimize the sidechains of a METHOD model from alignment to our top hit, 1d7kA. METHOD The alignment was made with a 3-state HMM: METHOD 1d7kA/T0261-1d7kA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD REMARK 6 REMARK 6 T0261 model 2 Sun Aug 8 17:11:52 2004 MODEL 2 PARENT 1d7k_A ATOM 2 N THR 190 -7.760 3.350 -33.135 1.00 0.00 ATOM 3 CA THR 190 -8.254 1.993 -33.115 1.00 0.00 ATOM 4 CB THR 190 -9.316 1.796 -32.017 1.00 0.00 ATOM 5 CG2 THR 190 -9.850 0.372 -32.043 1.00 0.00 ATOM 6 OG1 THR 190 -8.732 2.049 -30.733 1.00 0.00 ATOM 7 O THR 190 -8.782 0.573 -34.960 1.00 0.00 ATOM 8 C THR 190 -8.884 1.696 -34.482 1.00 0.00 ATOM 9 N PRO 191 -9.597 2.701 -35.036 1.00 0.00 ATOM 10 CA PRO 191 -10.200 2.379 -36.353 1.00 0.00 ATOM 11 CB PRO 191 -11.006 3.631 -36.706 1.00 0.00 ATOM 12 CG PRO 191 -11.372 4.224 -35.386 1.00 0.00 ATOM 13 CD PRO 191 -10.180 4.021 -34.494 1.00 0.00 ATOM 14 O PRO 191 -9.340 1.150 -38.214 1.00 0.00 ATOM 15 C PRO 191 -9.171 2.089 -37.432 1.00 0.00 ATOM 16 N GLU 192 -8.074 2.793 -37.583 1.00 0.00 ATOM 17 CA GLU 192 -6.942 2.535 -38.429 1.00 0.00 ATOM 18 CB GLU 192 -5.868 3.606 -38.228 1.00 0.00 ATOM 19 CG GLU 192 -6.242 4.972 -38.780 1.00 0.00 ATOM 20 CD GLU 192 -5.210 6.034 -38.454 1.00 0.00 ATOM 21 OE1 GLU 192 -4.239 5.718 -37.734 1.00 0.00 ATOM 22 OE2 GLU 192 -5.371 7.182 -38.919 1.00 0.00 ATOM 23 O GLU 192 -5.857 0.491 -39.145 1.00 0.00 ATOM 24 C GLU 192 -6.248 1.195 -38.196 1.00 0.00 ATOM 25 N LEU 193 -6.116 0.818 -36.913 1.00 0.00 ATOM 26 CA LEU 193 -5.514 -0.467 -36.580 1.00 0.00 ATOM 27 CB LEU 193 -5.378 -0.617 -35.064 1.00 0.00 ATOM 28 CG LEU 193 -4.345 0.285 -34.383 1.00 0.00 ATOM 29 CD1 LEU 193 -4.441 0.165 -32.870 1.00 0.00 ATOM 30 CD2 LEU 193 -2.935 -0.099 -34.804 1.00 0.00 ATOM 31 O LEU 193 -5.751 -2.603 -37.512 1.00 0.00 ATOM 32 C LEU 193 -6.358 -1.623 -37.092 1.00 0.00 ATOM 33 N LEU 194 -7.672 -1.489 -36.997 1.00 0.00 ATOM 34 CA LEU 194 -8.533 -2.586 -37.412 1.00 0.00 ATOM 35 CB LEU 194 -9.979 -2.321 -36.991 1.00 0.00 ATOM 36 CG LEU 194 -10.997 -3.410 -37.338 1.00 0.00 ATOM 37 CD1 LEU 194 -10.630 -4.722 -36.665 1.00 0.00 ATOM 38 CD2 LEU 194 -12.390 -3.011 -36.875 1.00 0.00 ATOM 39 O LEU 194 -8.401 -3.934 -39.386 1.00 0.00 ATOM 40 C LEU 194 -8.521 -2.779 -38.934 1.00 0.00 ATOM 41 N GLU 195 -8.530 -1.682 -39.682 1.00 0.00 ATOM 42 CA GLU 195 -8.475 -1.728 -41.156 1.00 0.00 ATOM 43 CB GLU 195 -8.628 -0.323 -41.742 1.00 0.00 ATOM 44 CG GLU 195 -10.019 0.267 -41.583 1.00 0.00 ATOM 45 CD GLU 195 -10.101 1.704 -42.062 1.00 0.00 ATOM 46 OE1 GLU 195 -9.055 2.260 -42.453 1.00 0.00 ATOM 47 OE2 GLU 195 -11.214 2.273 -42.049 1.00 0.00 ATOM 48 O GLU 195 -6.971 -3.048 -42.540 1.00 0.00 ATOM 49 C GLU 195 -7.137 -2.304 -41.602 1.00 0.00 ATOM 50 N ARG 196 -6.068 -1.823 -40.901 1.00 0.00 ATOM 51 CA ARG 196 -4.756 -2.348 -41.154 1.00 0.00 ATOM 52 CB ARG 196 -3.714 -1.618 -40.304 1.00 0.00 ATOM 53 CG ARG 196 -3.453 -0.185 -40.738 1.00 0.00 ATOM 54 CD ARG 196 -2.465 0.501 -39.810 1.00 0.00 ATOM 55 NE ARG 196 -2.223 1.889 -40.195 1.00 0.00 ATOM 56 CZ ARG 196 -1.459 2.734 -39.512 1.00 0.00 ATOM 57 NH1 ARG 196 -1.297 3.978 -39.940 1.00 0.00 ATOM 58 NH2 ARG 196 -0.860 2.332 -38.399 1.00 0.00 ATOM 59 O ARG 196 -3.940 -4.597 -41.588 1.00 0.00 ATOM 60 C ARG 196 -4.613 -3.839 -40.838 1.00 0.00 ATOM 61 N LEU 197 -5.123 -4.364 -39.725 1.00 0.00 ATOM 62 CA LEU 197 -5.079 -5.770 -39.460 1.00 0.00 ATOM 63 CB LEU 197 -5.821 -6.095 -38.162 1.00 0.00 ATOM 64 CG LEU 197 -5.144 -5.651 -36.865 1.00 0.00 ATOM 65 CD1 LEU 197 -6.075 -5.842 -35.678 1.00 0.00 ATOM 66 CD2 LEU 197 -3.882 -6.461 -36.613 1.00 0.00 ATOM 67 O LEU 197 -5.310 -7.596 -41.089 1.00 0.00 ATOM 68 C LEU 197 -5.749 -6.547 -40.627 1.00 0.00 ATOM 69 N ARG 198 -6.992 -6.166 -40.876 1.00 0.00 ATOM 70 CA ARG 198 -7.812 -6.685 -41.934 1.00 0.00 ATOM 71 CB ARG 198 -9.071 -5.833 -42.104 1.00 0.00 ATOM 72 CG ARG 198 -10.044 -6.363 -43.144 1.00 0.00 ATOM 73 CD ARG 198 -11.244 -5.441 -43.298 1.00 0.00 ATOM 74 NE ARG 198 -10.860 -4.122 -43.797 1.00 0.00 ATOM 75 CZ ARG 198 -10.571 -3.859 -45.067 1.00 0.00 ATOM 76 NH1 ARG 198 -10.232 -2.630 -45.429 1.00 0.00 ATOM 77 NH2 ARG 198 -10.622 -4.826 -45.973 1.00 0.00 ATOM 78 O ARG 198 -7.102 -7.743 -43.923 1.00 0.00 ATOM 79 C ARG 198 -7.063 -6.690 -43.264 1.00 0.00 ATOM 80 N GLU 199 -6.230 -5.732 -43.590 1.00 0.00 ATOM 81 CA GLU 199 -5.422 -5.798 -44.785 1.00 0.00 ATOM 82 CB GLU 199 -4.911 -4.405 -45.163 1.00 0.00 ATOM 83 CG GLU 199 -6.004 -3.436 -45.582 1.00 0.00 ATOM 84 CD GLU 199 -5.465 -2.063 -45.928 1.00 0.00 ATOM 85 OE1 GLU 199 -4.229 -1.883 -45.888 1.00 0.00 ATOM 86 OE2 GLU 199 -6.276 -1.166 -46.240 1.00 0.00 ATOM 87 O GLU 199 -3.907 -7.330 -45.740 1.00 0.00 ATOM 88 C GLU 199 -4.180 -6.677 -44.709 1.00 0.00 ATOM 89 N MET 200 -3.630 -6.943 -43.531 1.00 0.00 ATOM 90 CA MET 200 -2.667 -8.005 -43.361 1.00 0.00 ATOM 91 CB MET 200 -1.791 -7.743 -42.134 1.00 0.00 ATOM 92 CG MET 200 -0.891 -6.525 -42.263 1.00 0.00 ATOM 93 SD MET 200 0.228 -6.632 -43.673 1.00 0.00 ATOM 94 CE MET 200 1.270 -8.002 -43.175 1.00 0.00 ATOM 95 O MET 200 -2.511 -10.329 -42.746 1.00 0.00 ATOM 96 C MET 200 -3.225 -9.405 -43.163 1.00 0.00 ATOM 97 N GLY 201 -4.540 -9.582 -43.222 1.00 0.00 ATOM 98 CA GLY 201 -5.188 -10.828 -42.941 1.00 0.00 ATOM 99 O GLY 201 -4.566 -12.488 -41.378 1.00 0.00 ATOM 100 C GLY 201 -4.755 -11.295 -41.559 1.00 0.00 ATOM 101 N VAL 202 -4.834 -10.446 -40.527 1.00 0.00 ATOM 102 CA VAL 202 -4.578 -10.858 -39.151 1.00 0.00 ATOM 103 CB VAL 202 -3.571 -9.921 -38.459 1.00 0.00 ATOM 104 CG1 VAL 202 -3.370 -10.334 -37.009 1.00 0.00 ATOM 105 CG2 VAL 202 -2.224 -9.973 -39.166 1.00 0.00 ATOM 106 O VAL 202 -6.717 -9.910 -38.597 1.00 0.00 ATOM 107 C VAL 202 -5.916 -10.818 -38.394 1.00 0.00 ATOM 108 N GLU 203 -6.141 -11.855 -37.570 1.00 0.00 ATOM 109 CA GLU 203 -7.397 -11.951 -36.868 1.00 0.00 ATOM 110 CB GLU 203 -7.674 -13.400 -36.462 1.00 0.00 ATOM 111 CG GLU 203 -9.029 -13.611 -35.808 1.00 0.00 ATOM 112 CD GLU 203 -9.262 -15.053 -35.402 1.00 0.00 ATOM 113 OE1 GLU 203 -8.368 -15.891 -35.649 1.00 0.00 ATOM 114 OE2 GLU 203 -10.335 -15.347 -34.836 1.00 0.00 ATOM 115 O GLU 203 -6.692 -11.545 -34.670 1.00 0.00 ATOM 116 C GLU 203 -7.379 -11.091 -35.598 1.00 0.00 ATOM 117 N LEU 204 -8.127 -10.003 -35.527 1.00 0.00 ATOM 118 CA LEU 204 -8.447 -9.367 -34.209 1.00 0.00 ATOM 119 CB LEU 204 -8.638 -7.858 -34.373 1.00 0.00 ATOM 120 CG LEU 204 -8.998 -7.078 -33.108 1.00 0.00 ATOM 121 CD1 LEU 204 -7.863 -7.139 -32.097 1.00 0.00 ATOM 122 CD2 LEU 204 -9.266 -5.617 -33.434 1.00 0.00 ATOM 123 O LEU 204 -10.793 -9.734 -34.154 1.00 0.00 ATOM 124 C LEU 204 -9.698 -9.880 -33.550 1.00 0.00 ATOM 125 N ARG 205 -9.695 -10.517 -32.384 1.00 0.00 ATOM 126 CA ARG 205 -10.811 -11.140 -31.748 1.00 0.00 ATOM 127 CB ARG 205 -10.416 -12.514 -31.200 1.00 0.00 ATOM 128 CG ARG 205 -10.028 -13.521 -32.270 1.00 0.00 ATOM 129 CD ARG 205 -9.730 -14.883 -31.664 1.00 0.00 ATOM 130 NE ARG 205 -9.328 -15.857 -32.678 1.00 0.00 ATOM 131 CZ ARG 205 -8.937 -17.097 -32.406 1.00 0.00 ATOM 132 NH1 ARG 205 -8.589 -17.913 -33.392 1.00 0.00 ATOM 133 NH2 ARG 205 -8.894 -17.520 -31.150 1.00 0.00 ATOM 134 O ARG 205 -12.444 -10.894 -29.975 1.00 0.00 ATOM 135 C ARG 205 -11.430 -10.380 -30.544 1.00 0.00 ATOM 136 N PHE 206 -10.906 -9.241 -30.112 1.00 0.00 ATOM 137 CA PHE 206 -11.538 -8.540 -28.965 1.00 0.00 ATOM 138 CB PHE 206 -11.675 -9.484 -27.769 1.00 0.00 ATOM 139 CG PHE 206 -10.362 -9.987 -27.239 1.00 0.00 ATOM 140 CD1 PHE 206 -9.691 -9.295 -26.246 1.00 0.00 ATOM 141 CD2 PHE 206 -9.798 -11.150 -27.733 1.00 0.00 ATOM 142 CE1 PHE 206 -8.482 -9.756 -25.758 1.00 0.00 ATOM 143 CE2 PHE 206 -8.591 -11.612 -27.245 1.00 0.00 ATOM 144 CZ PHE 206 -7.934 -10.920 -26.262 1.00 0.00 ATOM 145 O PHE 206 -9.868 -6.803 -29.300 1.00 0.00 ATOM 146 C PHE 206 -10.680 -7.326 -28.533 1.00 0.00 ATOM 147 N LEU 207 -11.004 -6.739 -27.380 1.00 0.00 ATOM 148 CA LEU 207 -10.547 -5.462 -26.880 1.00 0.00 ATOM 149 CB LEU 207 -11.667 -4.423 -26.959 1.00 0.00 ATOM 150 CG LEU 207 -12.034 -3.928 -28.361 1.00 0.00 ATOM 151 CD1 LEU 207 -12.888 -4.957 -29.087 1.00 0.00 ATOM 152 CD2 LEU 207 -12.819 -2.628 -28.281 1.00 0.00 ATOM 153 O LEU 207 -10.811 -6.317 -24.644 1.00 0.00 ATOM 154 C LEU 207 -10.111 -5.625 -25.413 1.00 0.00 ATOM 155 N THR 208 -9.038 -4.928 -24.994 1.00 0.00 ATOM 156 CA THR 208 -8.761 -4.943 -23.574 1.00 0.00 ATOM 157 CB THR 208 -7.512 -5.783 -23.251 1.00 0.00 ATOM 158 CG2 THR 208 -7.681 -7.207 -23.759 1.00 0.00 ATOM 159 OG1 THR 208 -6.365 -5.199 -23.880 1.00 0.00 ATOM 160 O THR 208 -8.229 -2.681 -23.918 1.00 0.00 ATOM 161 C THR 208 -8.520 -3.497 -23.083 1.00 0.00 ATOM 162 N LEU 209 -8.586 -3.249 -21.802 1.00 0.00 ATOM 163 CA LEU 209 -8.140 -1.939 -21.266 1.00 0.00 ATOM 164 CB LEU 209 -9.305 -0.947 -21.241 1.00 0.00 ATOM 165 CG LEU 209 -9.860 -0.518 -22.599 1.00 0.00 ATOM 166 CD1 LEU 209 -11.170 0.238 -22.430 1.00 0.00 ATOM 167 CD2 LEU 209 -8.877 0.392 -23.320 1.00 0.00 ATOM 168 O LEU 209 -7.942 -3.213 -19.292 1.00 0.00 ATOM 169 C LEU 209 -7.614 -2.161 -19.832 1.00 0.00 ATOM 170 N HIS 210 -6.862 -1.234 -19.297 1.00 0.00 ATOM 171 CA HIS 210 -6.505 -1.353 -17.891 1.00 0.00 ATOM 172 CB HIS 210 -5.033 -1.746 -17.744 1.00 0.00 ATOM 173 CG HIS 210 -4.692 -3.058 -18.378 1.00 0.00 ATOM 174 CD2 HIS 210 -4.160 -3.482 -19.665 1.00 0.00 ATOM 175 ND1 HIS 210 -4.859 -4.263 -17.731 1.00 0.00 ATOM 176 CE1 HIS 210 -4.468 -5.258 -18.549 1.00 0.00 ATOM 177 NE2 HIS 210 -4.048 -4.796 -19.711 1.00 0.00 ATOM 178 O HIS 210 -5.979 0.919 -17.527 1.00 0.00 ATOM 179 C HIS 210 -6.746 0.016 -17.210 1.00 0.00 ATOM 180 N VAL 211 -7.627 0.132 -16.286 1.00 0.00 ATOM 181 CA VAL 211 -7.776 1.372 -15.460 1.00 0.00 ATOM 182 CB VAL 211 -9.116 1.386 -14.699 1.00 0.00 ATOM 183 CG1 VAL 211 -9.234 2.643 -13.852 1.00 0.00 ATOM 184 CG2 VAL 211 -10.282 1.351 -15.674 1.00 0.00 ATOM 185 O VAL 211 -6.014 2.455 -14.464 1.00 0.00 ATOM 186 C VAL 211 -6.642 1.417 -14.463 1.00 0.00 ATOM 190 N PHE 216 -9.838 6.576 -8.747 1.00 0.00 ATOM 191 CA PHE 216 -10.644 7.117 -7.663 1.00 0.00 ATOM 192 CB PHE 216 -10.463 8.634 -7.567 1.00 0.00 ATOM 193 CG PHE 216 -9.166 9.051 -6.935 1.00 0.00 ATOM 194 CD1 PHE 216 -8.114 9.502 -7.712 1.00 0.00 ATOM 195 CD2 PHE 216 -8.997 8.991 -5.563 1.00 0.00 ATOM 196 CE1 PHE 216 -6.920 9.886 -7.130 1.00 0.00 ATOM 197 CE2 PHE 216 -7.804 9.375 -4.980 1.00 0.00 ATOM 198 CZ PHE 216 -6.768 9.820 -5.759 1.00 0.00 ATOM 199 O PHE 216 -12.935 6.789 -6.889 1.00 0.00 ATOM 200 C PHE 216 -12.137 6.866 -7.820 1.00 0.00 ATOM 201 N ARG 217 -12.555 6.713 -9.058 1.00 0.00 ATOM 202 CA ARG 217 -13.933 6.789 -9.520 1.00 0.00 ATOM 203 CB ARG 217 -14.122 7.990 -10.449 1.00 0.00 ATOM 204 CG ARG 217 -13.896 9.336 -9.778 1.00 0.00 ATOM 205 CD ARG 217 -14.010 10.475 -10.776 1.00 0.00 ATOM 206 NE ARG 217 -13.953 11.782 -10.123 1.00 0.00 ATOM 207 CZ ARG 217 -14.156 12.937 -10.746 1.00 0.00 ATOM 208 NH1 ARG 217 -14.085 14.076 -10.071 1.00 0.00 ATOM 209 NH2 ARG 217 -14.432 12.953 -12.043 1.00 0.00 ATOM 210 O ARG 217 -13.688 5.358 -11.381 1.00 0.00 ATOM 211 C ARG 217 -14.168 5.473 -10.259 1.00 0.00 ATOM 212 N PRO 218 -15.040 4.612 -9.763 1.00 0.00 ATOM 213 CA PRO 218 -15.507 3.465 -10.502 1.00 0.00 ATOM 214 CB PRO 218 -16.480 2.777 -9.542 1.00 0.00 ATOM 215 CG PRO 218 -16.925 3.864 -8.620 1.00 0.00 ATOM 216 CD PRO 218 -15.738 4.766 -8.434 1.00 0.00 ATOM 217 O PRO 218 -16.331 2.845 -12.666 1.00 0.00 ATOM 218 C PRO 218 -16.214 3.741 -11.798 1.00 0.00 ATOM 222 N GLU 237 -16.653 4.963 -12.084 1.00 0.00 ATOM 223 CA GLU 237 -17.210 5.339 -13.357 1.00 0.00 ATOM 224 CB GLU 237 -17.698 6.790 -13.320 1.00 0.00 ATOM 225 CG GLU 237 -18.942 7.005 -12.474 1.00 0.00 ATOM 226 CD GLU 237 -19.341 8.465 -12.385 1.00 0.00 ATOM 227 OE1 GLU 237 -18.605 9.315 -12.927 1.00 0.00 ATOM 228 OE2 GLU 237 -20.391 8.757 -11.773 1.00 0.00 ATOM 229 O GLU 237 -16.658 4.982 -15.662 1.00 0.00 ATOM 230 C GLU 237 -16.201 5.237 -14.539 1.00 0.00 ATOM 231 N GLU 238 -14.907 5.341 -14.256 1.00 0.00 ATOM 232 CA GLU 238 -13.904 5.038 -15.265 1.00 0.00 ATOM 233 CB GLU 238 -12.500 5.095 -14.660 1.00 0.00 ATOM 234 CG GLU 238 -12.021 6.502 -14.336 1.00 0.00 ATOM 235 CD GLU 238 -10.664 6.513 -13.663 1.00 0.00 ATOM 236 OE1 GLU 238 -10.126 5.419 -13.391 1.00 0.00 ATOM 237 OE2 GLU 238 -10.137 7.616 -13.407 1.00 0.00 ATOM 238 O GLU 238 -13.809 3.606 -17.098 1.00 0.00 ATOM 239 C GLU 238 -14.052 3.659 -15.888 1.00 0.00 ATOM 240 N VAL 239 -14.488 2.644 -15.157 1.00 0.00 ATOM 241 CA VAL 239 -14.775 1.327 -15.694 1.00 0.00 ATOM 242 CB VAL 239 -15.086 0.317 -14.575 1.00 0.00 ATOM 243 CG1 VAL 239 -15.561 -1.003 -15.165 1.00 0.00 ATOM 244 CG2 VAL 239 -13.845 0.050 -13.737 1.00 0.00 ATOM 245 O VAL 239 -15.994 0.884 -17.802 1.00 0.00 ATOM 246 C VAL 239 -15.990 1.365 -16.637 1.00 0.00 ATOM 247 N ALA 240 -16.894 2.327 -16.308 1.00 0.00 ATOM 248 CA ALA 240 -18.151 2.353 -17.065 1.00 0.00 ATOM 249 CB ALA 240 -19.202 3.161 -16.320 1.00 0.00 ATOM 250 O ALA 240 -18.095 2.471 -19.417 1.00 0.00 ATOM 251 C ALA 240 -17.743 3.009 -18.384 1.00 0.00 ATOM 252 N GLU 241 -16.965 4.102 -18.326 1.00 0.00 ATOM 253 CA GLU 241 -16.552 4.694 -19.601 1.00 0.00 ATOM 254 CB GLU 241 -15.701 5.942 -19.361 1.00 0.00 ATOM 255 CG GLU 241 -16.478 7.127 -18.816 1.00 0.00 ATOM 256 CD GLU 241 -15.584 8.304 -18.477 1.00 0.00 ATOM 257 OE1 GLU 241 -14.348 8.166 -18.597 1.00 0.00 ATOM 258 OE2 GLU 241 -16.119 9.365 -18.088 1.00 0.00 ATOM 259 O GLU 241 -15.709 3.900 -21.688 1.00 0.00 ATOM 260 C GLU 241 -15.722 3.723 -20.446 1.00 0.00 ATOM 261 N ALA 242 -14.817 2.908 -19.874 1.00 0.00 ATOM 262 CA ALA 242 -13.878 2.071 -20.679 1.00 0.00 ATOM 263 CB ALA 242 -12.815 1.456 -19.783 1.00 0.00 ATOM 264 O ALA 242 -14.456 0.545 -22.533 1.00 0.00 ATOM 265 C ALA 242 -14.653 0.943 -21.374 1.00 0.00 ATOM 266 N VAL 243 -15.636 0.413 -20.644 1.00 0.00 ATOM 267 CA VAL 243 -16.547 -0.604 -21.143 1.00 0.00 ATOM 268 CB VAL 243 -17.518 -1.080 -20.046 1.00 0.00 ATOM 269 CG1 VAL 243 -18.584 -1.990 -20.635 1.00 0.00 ATOM 270 CG2 VAL 243 -16.769 -1.853 -18.971 1.00 0.00 ATOM 271 O VAL 243 -17.487 -0.701 -23.359 1.00 0.00 ATOM 272 C VAL 243 -17.386 -0.079 -22.295 1.00 0.00 ATOM 273 N ASN 244 -17.851 1.160 -22.192 1.00 0.00 ATOM 274 CA ASN 244 -18.543 1.800 -23.323 1.00 0.00 ATOM 275 CB ASN 244 -19.110 3.159 -22.905 1.00 0.00 ATOM 276 CG ASN 244 -20.316 3.033 -21.995 1.00 0.00 ATOM 277 ND2 ASN 244 -20.606 4.092 -21.250 1.00 0.00 ATOM 278 OD1 ASN 244 -20.976 1.995 -21.966 1.00 0.00 ATOM 279 O ASN 244 -18.101 1.839 -25.704 1.00 0.00 ATOM 280 C ASN 244 -17.699 2.066 -24.531 1.00 0.00 ATOM 281 N ARG 245 -16.463 2.555 -24.314 1.00 0.00 ATOM 282 CA ARG 245 -15.460 2.609 -25.378 1.00 0.00 ATOM 283 CB ARG 245 -14.129 3.133 -24.835 1.00 0.00 ATOM 284 CG ARG 245 -14.142 4.613 -24.487 1.00 0.00 ATOM 285 CD ARG 245 -12.816 5.050 -23.887 1.00 0.00 ATOM 286 NE ARG 245 -12.821 6.464 -23.519 1.00 0.00 ATOM 287 CZ ARG 245 -11.813 7.081 -22.909 1.00 0.00 ATOM 288 NH1 ARG 245 -11.907 8.370 -22.615 1.00 0.00 ATOM 289 NH2 ARG 245 -10.715 6.406 -22.595 1.00 0.00 ATOM 290 O ARG 245 -15.008 1.136 -27.253 1.00 0.00 ATOM 291 C ARG 245 -15.161 1.238 -26.030 1.00 0.00 ATOM 292 N ALA 246 -15.134 0.195 -25.202 1.00 0.00 ATOM 293 CA ALA 246 -14.792 -1.097 -25.772 1.00 0.00 ATOM 294 CB ALA 246 -14.616 -2.131 -24.672 1.00 0.00 ATOM 295 O ALA 246 -15.643 -2.125 -27.716 1.00 0.00 ATOM 296 C ALA 246 -15.926 -1.512 -26.694 1.00 0.00 ATOM 297 N LYS 247 -17.212 -1.229 -26.339 1.00 0.00 ATOM 298 CA LYS 247 -18.301 -1.544 -27.220 1.00 0.00 ATOM 299 CB LYS 247 -19.641 -1.247 -26.542 1.00 0.00 ATOM 300 CG LYS 247 -19.949 -2.146 -25.356 1.00 0.00 ATOM 301 CD LYS 247 -21.322 -1.846 -24.779 1.00 0.00 ATOM 302 CE LYS 247 -21.623 -2.729 -23.578 1.00 0.00 ATOM 303 NZ LYS 247 -22.954 -2.426 -22.984 1.00 0.00 ATOM 304 O LYS 247 -18.489 -1.258 -29.581 1.00 0.00 ATOM 305 C LYS 247 -18.209 -0.715 -28.493 1.00 0.00 ATOM 306 N ALA 248 -17.977 -3.505 -38.553 1.00 0.00 ATOM 307 CA ALA 248 -18.087 -2.772 -39.791 1.00 0.00 ATOM 308 CB ALA 248 -17.854 -1.288 -39.551 1.00 0.00 ATOM 309 O ALA 248 -17.372 -3.337 -41.952 1.00 0.00 ATOM 310 C ALA 248 -17.045 -3.286 -40.780 1.00 0.00 ATOM 311 N GLU 249 -15.790 -3.590 -40.399 1.00 0.00 ATOM 312 CA GLU 249 -14.868 -4.117 -41.403 1.00 0.00 ATOM 313 CB GLU 249 -13.449 -3.602 -41.149 1.00 0.00 ATOM 314 CG GLU 249 -13.319 -2.089 -41.202 1.00 0.00 ATOM 315 CD GLU 249 -13.623 -1.527 -42.577 1.00 0.00 ATOM 316 OE1 GLU 249 -13.081 -2.056 -43.570 1.00 0.00 ATOM 317 OE2 GLU 249 -14.404 -0.555 -42.662 1.00 0.00 ATOM 318 O GLU 249 -13.929 -6.044 -42.287 1.00 0.00 ATOM 319 C GLU 249 -14.751 -5.631 -41.460 1.00 0.00 ATOM 320 N GLY 250 -15.581 -6.381 -40.750 1.00 0.00 ATOM 321 CA GLY 250 -15.648 -7.812 -40.906 1.00 0.00 ATOM 322 O GLY 250 -14.760 -9.917 -40.137 1.00 0.00 ATOM 323 C GLY 250 -15.023 -8.716 -39.878 1.00 0.00 ATOM 327 N ARG 252 -15.390 -11.391 -29.998 1.00 0.00 ATOM 328 CA ARG 252 -16.031 -12.081 -28.874 1.00 0.00 ATOM 329 CB ARG 252 -16.037 -13.594 -29.107 1.00 0.00 ATOM 330 CG ARG 252 -16.966 -14.047 -30.220 1.00 0.00 ATOM 331 CD ARG 252 -16.875 -15.548 -30.439 1.00 0.00 ATOM 332 NE ARG 252 -17.704 -15.990 -31.558 1.00 0.00 ATOM 333 CZ ARG 252 -17.626 -17.193 -32.116 1.00 0.00 ATOM 334 NH1 ARG 252 -18.421 -17.507 -33.131 1.00 0.00 ATOM 335 NH2 ARG 252 -16.751 -18.080 -31.662 1.00 0.00 ATOM 336 O ARG 252 -15.887 -12.141 -26.449 1.00 0.00 ATOM 337 C ARG 252 -15.339 -11.848 -27.518 1.00 0.00 ATOM 338 N VAL 253 -14.088 -11.401 -27.459 1.00 0.00 ATOM 339 CA VAL 253 -13.271 -11.362 -26.253 1.00 0.00 ATOM 340 CB VAL 253 -11.837 -11.853 -26.525 1.00 0.00 ATOM 341 CG1 VAL 253 -10.997 -11.773 -25.260 1.00 0.00 ATOM 342 CG2 VAL 253 -11.850 -13.297 -27.002 1.00 0.00 ATOM 343 O VAL 253 -12.682 -8.995 -26.242 1.00 0.00 ATOM 344 C VAL 253 -13.155 -9.957 -25.674 1.00 0.00 ATOM 345 N VAL 254 -13.714 -9.743 -24.500 1.00 0.00 ATOM 346 CA VAL 254 -13.575 -8.498 -23.726 1.00 0.00 ATOM 347 CB VAL 254 -14.944 -7.955 -23.280 1.00 0.00 ATOM 348 CG1 VAL 254 -14.772 -6.689 -22.451 1.00 0.00 ATOM 349 CG2 VAL 254 -15.807 -7.624 -24.488 1.00 0.00 ATOM 350 O VAL 254 -13.041 -9.552 -21.598 1.00 0.00 ATOM 351 C VAL 254 -12.731 -8.731 -22.468 1.00 0.00 ATOM 352 N ALA 255 -11.661 -7.932 -22.343 1.00 0.00 ATOM 353 CA ALA 255 -10.733 -8.062 -21.210 1.00 0.00 ATOM 354 CB ALA 255 -9.334 -8.394 -21.706 1.00 0.00 ATOM 355 O ALA 255 -10.220 -5.720 -20.895 1.00 0.00 ATOM 356 C ALA 255 -10.661 -6.751 -20.404 1.00 0.00 ATOM 357 N VAL 256 -11.184 -6.750 -19.151 1.00 0.00 ATOM 358 CA VAL 256 -11.313 -5.472 -18.419 1.00 0.00 ATOM 359 CB VAL 256 -12.526 -5.486 -17.469 1.00 0.00 ATOM 360 CG1 VAL 256 -13.813 -5.702 -18.252 1.00 0.00 ATOM 361 CG2 VAL 256 -12.390 -6.604 -16.448 1.00 0.00 ATOM 362 O VAL 256 -10.181 -4.241 -16.615 1.00 0.00 ATOM 363 C VAL 256 -10.137 -5.088 -17.546 1.00 0.00 ATOM 364 N GLY 257 -9.026 -5.883 -17.604 1.00 0.00 ATOM 365 CA GLY 257 -7.748 -5.477 -17.039 1.00 0.00 ATOM 366 O GLY 257 -8.311 -6.631 -14.907 1.00 0.00 ATOM 367 C GLY 257 -7.720 -5.699 -15.502 1.00 0.00 TER END