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 1vhcA METHOD The alignment was made with a 3-state HMM: METHOD 1vhcA/T0261-1vhcA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD METHOD REMARK 6 REMARK 6 T0261 model 3 Sun Aug 8 17:11:52 2004 MODEL 3 PARENT 1vhc_A ATOM 2 N GLU 192 -11.626 3.016 -34.876 1.00 0.00 ATOM 3 CA GLU 192 -10.556 2.162 -35.404 1.00 0.00 ATOM 4 CB GLU 192 -9.305 2.992 -35.701 1.00 0.00 ATOM 5 CG GLU 192 -9.445 3.919 -36.897 1.00 0.00 ATOM 6 CD GLU 192 -8.223 4.792 -37.103 1.00 0.00 ATOM 7 OE1 GLU 192 -7.296 4.722 -36.269 1.00 0.00 ATOM 8 OE2 GLU 192 -8.192 5.546 -38.099 1.00 0.00 ATOM 9 O GLU 192 -9.682 -0.007 -34.708 1.00 0.00 ATOM 10 C GLU 192 -10.187 1.082 -34.398 1.00 0.00 ATOM 11 N LEU 193 -10.300 1.393 -33.088 1.00 0.00 ATOM 12 CA LEU 193 -10.048 0.353 -32.103 1.00 0.00 ATOM 13 CB LEU 193 -10.202 0.909 -30.686 1.00 0.00 ATOM 14 CG LEU 193 -9.126 1.889 -30.221 1.00 0.00 ATOM 15 CD1 LEU 193 -9.501 2.505 -28.882 1.00 0.00 ATOM 16 CD2 LEU 193 -7.788 1.183 -30.061 1.00 0.00 ATOM 17 O LEU 193 -10.637 -1.969 -32.306 1.00 0.00 ATOM 18 C LEU 193 -11.041 -0.805 -32.285 1.00 0.00 ATOM 19 N LEU 194 -12.348 -0.531 -32.283 1.00 0.00 ATOM 20 CA LEU 194 -13.325 -1.613 -32.457 1.00 0.00 ATOM 21 CB LEU 194 -14.751 -1.064 -32.376 1.00 0.00 ATOM 22 CG LEU 194 -15.213 -0.577 -31.002 1.00 0.00 ATOM 23 CD1 LEU 194 -16.570 0.105 -31.101 1.00 0.00 ATOM 24 CD2 LEU 194 -15.337 -1.741 -30.031 1.00 0.00 ATOM 25 O LEU 194 -13.546 -3.498 -33.903 1.00 0.00 ATOM 26 C LEU 194 -13.171 -2.312 -33.815 1.00 0.00 ATOM 27 N GLU 195 -12.834 -1.642 -34.901 1.00 0.00 ATOM 28 CA GLU 195 -12.582 -2.350 -36.144 1.00 0.00 ATOM 29 CB GLU 195 -12.204 -1.366 -37.253 1.00 0.00 ATOM 30 CG GLU 195 -13.357 -0.497 -37.731 1.00 0.00 ATOM 31 CD GLU 195 -12.921 0.547 -38.739 1.00 0.00 ATOM 32 OE1 GLU 195 -11.705 0.641 -39.009 1.00 0.00 ATOM 33 OE2 GLU 195 -13.795 1.272 -39.259 1.00 0.00 ATOM 34 O GLU 195 -11.520 -4.494 -36.545 1.00 0.00 ATOM 35 C GLU 195 -11.421 -3.362 -35.982 1.00 0.00 ATOM 36 N ARG 196 -10.366 -2.999 -35.288 1.00 0.00 ATOM 37 CA ARG 196 -9.226 -3.870 -35.026 1.00 0.00 ATOM 38 CB ARG 196 -8.119 -3.101 -34.303 1.00 0.00 ATOM 39 CG ARG 196 -7.403 -2.081 -35.172 1.00 0.00 ATOM 40 CD ARG 196 -6.371 -1.301 -34.374 1.00 0.00 ATOM 41 NE ARG 196 -5.677 -0.312 -35.193 1.00 0.00 ATOM 42 CZ ARG 196 -4.784 0.555 -34.724 1.00 0.00 ATOM 43 NH1 ARG 196 -4.203 1.419 -35.545 1.00 0.00 ATOM 44 NH2 ARG 196 -4.476 0.556 -33.435 1.00 0.00 ATOM 45 O ARG 196 -9.091 -6.201 -34.356 1.00 0.00 ATOM 46 C ARG 196 -9.590 -5.074 -34.151 1.00 0.00 ATOM 47 N LEU 197 -10.452 -4.865 -33.137 1.00 0.00 ATOM 48 CA LEU 197 -10.899 -5.952 -32.290 1.00 0.00 ATOM 49 CB LEU 197 -11.726 -5.415 -31.120 1.00 0.00 ATOM 50 CG LEU 197 -10.961 -4.622 -30.060 1.00 0.00 ATOM 51 CD1 LEU 197 -11.923 -3.991 -29.064 1.00 0.00 ATOM 52 CD2 LEU 197 -10.009 -5.527 -29.292 1.00 0.00 ATOM 53 O LEU 197 -11.574 -8.187 -32.890 1.00 0.00 ATOM 54 C LEU 197 -11.780 -6.965 -33.054 1.00 0.00 ATOM 55 N ARG 198 -12.713 -6.467 -33.830 1.00 0.00 ATOM 56 CA ARG 198 -13.639 -7.276 -34.605 1.00 0.00 ATOM 57 CB ARG 198 -14.698 -6.391 -35.268 1.00 0.00 ATOM 58 CG ARG 198 -15.751 -7.162 -36.048 1.00 0.00 ATOM 59 CD ARG 198 -16.834 -6.237 -36.575 1.00 0.00 ATOM 60 NE ARG 198 -17.855 -6.961 -37.329 1.00 0.00 ATOM 61 CZ ARG 198 -18.878 -6.383 -37.949 1.00 0.00 ATOM 62 NH1 ARG 198 -19.757 -7.123 -38.610 1.00 0.00 ATOM 63 NH2 ARG 198 -19.019 -5.065 -37.907 1.00 0.00 ATOM 64 O ARG 198 -13.124 -9.232 -35.934 1.00 0.00 ATOM 65 C ARG 198 -12.890 -8.044 -35.704 1.00 0.00 ATOM 66 N GLU 199 -11.957 -7.376 -36.359 1.00 0.00 ATOM 67 CA GLU 199 -11.185 -8.008 -37.428 1.00 0.00 ATOM 68 CB GLU 199 -10.153 -7.031 -37.994 1.00 0.00 ATOM 69 CG GLU 199 -9.346 -7.585 -39.157 1.00 0.00 ATOM 70 CD GLU 199 -8.376 -6.570 -39.728 1.00 0.00 ATOM 71 OE1 GLU 199 -8.349 -5.426 -39.227 1.00 0.00 ATOM 72 OE2 GLU 199 -7.642 -6.917 -40.677 1.00 0.00 ATOM 73 O GLU 199 -10.206 -10.188 -37.619 1.00 0.00 ATOM 74 C GLU 199 -10.459 -9.229 -36.877 1.00 0.00 ATOM 75 N MET 200 -9.924 -9.114 -35.663 1.00 0.00 ATOM 76 CA MET 200 -9.239 -10.198 -35.013 1.00 0.00 ATOM 77 CB MET 200 -8.141 -9.663 -34.092 1.00 0.00 ATOM 78 CG MET 200 -7.073 -8.851 -34.807 1.00 0.00 ATOM 79 SD MET 200 -5.827 -8.196 -33.681 1.00 0.00 ATOM 80 CE MET 200 -4.919 -9.685 -33.276 1.00 0.00 ATOM 81 O MET 200 -9.509 -11.824 -33.348 1.00 0.00 ATOM 82 C MET 200 -10.101 -11.085 -34.151 1.00 0.00 ATOM 83 N GLY 201 -11.404 -11.134 -34.296 1.00 0.00 ATOM 84 CA GLY 201 -12.306 -11.967 -33.578 1.00 0.00 ATOM 85 O GLY 201 -13.376 -12.576 -31.549 1.00 0.00 ATOM 86 C GLY 201 -12.838 -11.657 -32.208 1.00 0.00 ATOM 87 N VAL 202 -12.740 -10.420 -31.695 1.00 0.00 ATOM 88 CA VAL 202 -13.270 -10.097 -30.374 1.00 0.00 ATOM 89 CB VAL 202 -12.151 -9.670 -29.406 1.00 0.00 ATOM 90 CG1 VAL 202 -12.723 -9.381 -28.026 1.00 0.00 ATOM 91 CG2 VAL 202 -11.111 -10.772 -29.275 1.00 0.00 ATOM 92 O VAL 202 -13.772 -7.802 -30.372 1.00 0.00 ATOM 93 C VAL 202 -14.272 -8.943 -30.517 1.00 0.00 ATOM 94 N GLU 203 -15.541 -9.182 -30.764 1.00 0.00 ATOM 95 CA GLU 203 -16.465 -8.062 -30.912 1.00 0.00 ATOM 96 CB GLU 203 -17.555 -8.397 -31.933 1.00 0.00 ATOM 97 CG GLU 203 -17.033 -8.637 -33.340 1.00 0.00 ATOM 98 CD GLU 203 -18.104 -9.158 -34.277 1.00 0.00 ATOM 99 OE1 GLU 203 -19.244 -9.375 -33.814 1.00 0.00 ATOM 100 OE2 GLU 203 -17.806 -9.349 -35.475 1.00 0.00 ATOM 101 O GLU 203 -18.382 -7.758 -29.456 1.00 0.00 ATOM 102 C GLU 203 -17.153 -7.720 -29.589 1.00 0.00 ATOM 103 N LEU 204 -16.337 -7.327 -28.610 1.00 0.00 ATOM 104 CA LEU 204 -16.832 -6.972 -27.289 1.00 0.00 ATOM 105 CB LEU 204 -16.913 -8.211 -26.396 1.00 0.00 ATOM 106 CG LEU 204 -15.603 -8.969 -26.167 1.00 0.00 ATOM 107 CD1 LEU 204 -14.823 -8.358 -25.013 1.00 0.00 ATOM 108 CD2 LEU 204 -15.876 -10.428 -25.836 1.00 0.00 ATOM 109 O LEU 204 -14.721 -5.894 -27.018 1.00 0.00 ATOM 110 C LEU 204 -15.887 -5.954 -26.643 1.00 0.00 ATOM 111 N ARG 205 -16.448 -5.040 -25.821 1.00 0.00 ATOM 112 CA ARG 205 -15.579 -4.079 -25.138 1.00 0.00 ATOM 113 CB ARG 205 -15.249 -2.906 -26.064 1.00 0.00 ATOM 114 CG ARG 205 -14.183 -1.968 -25.520 1.00 0.00 ATOM 115 CD ARG 205 -13.879 -0.849 -26.502 1.00 0.00 ATOM 116 NE ARG 205 -12.984 0.154 -25.930 1.00 0.00 ATOM 117 CZ ARG 205 -12.329 1.064 -26.644 1.00 0.00 ATOM 118 NH1 ARG 205 -11.536 1.936 -26.036 1.00 0.00 ATOM 119 NH2 ARG 205 -12.471 1.102 -27.961 1.00 0.00 ATOM 120 O ARG 205 -17.454 -3.256 -23.915 1.00 0.00 ATOM 121 C ARG 205 -16.229 -3.507 -23.880 1.00 0.00 ATOM 122 N PHE 206 -15.468 -3.419 -22.816 1.00 0.00 ATOM 123 CA PHE 206 -15.933 -2.818 -21.555 1.00 0.00 ATOM 124 CB PHE 206 -15.485 -3.662 -20.360 1.00 0.00 ATOM 125 CG PHE 206 -16.143 -5.010 -20.291 1.00 0.00 ATOM 126 CD1 PHE 206 -15.548 -6.118 -20.869 1.00 0.00 ATOM 127 CD2 PHE 206 -17.357 -5.170 -19.647 1.00 0.00 ATOM 128 CE1 PHE 206 -16.155 -7.359 -20.804 1.00 0.00 ATOM 129 CE2 PHE 206 -17.965 -6.411 -19.582 1.00 0.00 ATOM 130 CZ PHE 206 -17.367 -7.501 -20.157 1.00 0.00 ATOM 131 O PHE 206 -14.025 -1.333 -21.560 1.00 0.00 ATOM 132 C PHE 206 -15.274 -1.419 -21.549 1.00 0.00 ATOM 133 N LEU 207 -16.070 -0.383 -21.686 1.00 0.00 ATOM 134 CA LEU 207 -15.504 0.981 -21.705 1.00 0.00 ATOM 135 CB LEU 207 -16.276 1.869 -22.683 1.00 0.00 ATOM 136 CG LEU 207 -15.831 3.330 -22.770 1.00 0.00 ATOM 137 CD1 LEU 207 -14.417 3.429 -23.322 1.00 0.00 ATOM 138 CD2 LEU 207 -16.754 4.120 -23.683 1.00 0.00 ATOM 139 O LEU 207 -16.681 1.808 -19.811 1.00 0.00 ATOM 140 C LEU 207 -15.589 1.605 -20.303 1.00 0.00 ATOM 141 N THR 208 -14.461 1.943 -19.744 1.00 0.00 ATOM 142 CA THR 208 -14.434 2.412 -18.339 1.00 0.00 ATOM 143 CB THR 208 -13.016 2.326 -17.743 1.00 0.00 ATOM 144 CG2 THR 208 -13.012 2.824 -16.306 1.00 0.00 ATOM 145 OG1 THR 208 -12.568 0.965 -17.764 1.00 0.00 ATOM 146 O THR 208 -14.413 4.755 -18.886 1.00 0.00 ATOM 147 C THR 208 -14.874 3.844 -18.164 1.00 0.00 ATOM 148 N LEU 209 -15.766 4.076 -17.198 1.00 0.00 ATOM 149 CA LEU 209 -16.154 5.457 -16.820 1.00 0.00 ATOM 150 CB LEU 209 -17.399 5.440 -15.931 1.00 0.00 ATOM 151 CG LEU 209 -18.686 4.921 -16.576 1.00 0.00 ATOM 152 CD1 LEU 209 -19.810 4.850 -15.554 1.00 0.00 ATOM 153 CD2 LEU 209 -19.128 5.837 -17.707 1.00 0.00 ATOM 154 O LEU 209 -15.135 7.350 -15.729 1.00 0.00 ATOM 155 C LEU 209 -15.050 6.162 -16.056 1.00 0.00 ATOM 156 N HIS 210 -13.899 5.525 -15.810 1.00 0.00 ATOM 157 CA HIS 210 -12.747 6.217 -15.213 1.00 0.00 ATOM 158 CB HIS 210 -11.604 5.233 -14.958 1.00 0.00 ATOM 159 CG HIS 210 -10.461 5.821 -14.190 1.00 0.00 ATOM 160 CD2 HIS 210 -9.054 6.077 -14.457 1.00 0.00 ATOM 161 ND1 HIS 210 -10.593 6.283 -12.899 1.00 0.00 ATOM 162 CE1 HIS 210 -9.403 6.749 -12.477 1.00 0.00 ATOM 163 NE2 HIS 210 -8.476 6.628 -13.406 1.00 0.00 ATOM 164 O HIS 210 -11.595 8.277 -15.725 1.00 0.00 ATOM 165 C HIS 210 -12.254 7.321 -16.170 1.00 0.00 ATOM 169 N PRO 236 -12.552 7.215 -17.461 1.00 0.00 ATOM 170 CA PRO 236 -12.260 8.259 -18.415 1.00 0.00 ATOM 171 CB PRO 236 -11.752 7.505 -19.646 1.00 0.00 ATOM 172 CG PRO 236 -12.483 6.204 -19.615 1.00 0.00 ATOM 173 CD PRO 236 -12.737 5.903 -18.164 1.00 0.00 ATOM 174 O PRO 236 -14.588 8.475 -18.933 1.00 0.00 ATOM 175 C PRO 236 -13.530 9.059 -18.718 1.00 0.00 ATOM 176 N GLU 237 -13.367 10.390 -18.829 1.00 0.00 ATOM 177 CA GLU 237 -14.507 11.269 -19.130 1.00 0.00 ATOM 178 CB GLU 237 -14.079 12.736 -19.085 1.00 0.00 ATOM 179 CG GLU 237 -13.782 13.254 -17.687 1.00 0.00 ATOM 180 CD GLU 237 -13.277 14.683 -17.690 1.00 0.00 ATOM 181 OE1 GLU 237 -13.074 15.240 -18.789 1.00 0.00 ATOM 182 OE2 GLU 237 -13.081 15.246 -16.593 1.00 0.00 ATOM 183 O GLU 237 -16.282 11.320 -20.741 1.00 0.00 ATOM 184 C GLU 237 -15.099 11.023 -20.493 1.00 0.00 ATOM 185 N GLU 238 -14.320 10.475 -21.435 1.00 0.00 ATOM 186 CA GLU 238 -14.841 10.225 -22.790 1.00 0.00 ATOM 187 CB GLU 238 -13.691 10.043 -23.782 1.00 0.00 ATOM 188 CG GLU 238 -12.873 11.301 -24.022 1.00 0.00 ATOM 189 CD GLU 238 -11.670 11.053 -24.910 1.00 0.00 ATOM 190 OE1 GLU 238 -11.454 9.889 -25.308 1.00 0.00 ATOM 191 OE2 GLU 238 -10.943 12.024 -25.209 1.00 0.00 ATOM 192 O GLU 238 -16.228 8.688 -24.020 1.00 0.00 ATOM 193 C GLU 238 -15.714 8.981 -22.915 1.00 0.00 ATOM 194 N VAL 239 -15.950 8.245 -21.847 1.00 0.00 ATOM 195 CA VAL 239 -16.693 6.985 -21.917 1.00 0.00 ATOM 196 CB VAL 239 -16.979 6.419 -20.513 1.00 0.00 ATOM 197 CG1 VAL 239 -17.919 5.227 -20.601 1.00 0.00 ATOM 198 CG2 VAL 239 -15.688 5.965 -19.849 1.00 0.00 ATOM 199 O VAL 239 -18.341 6.279 -23.521 1.00 0.00 ATOM 200 C VAL 239 -18.025 7.038 -22.582 1.00 0.00 ATOM 201 N ALA 240 -18.933 7.931 -22.117 1.00 0.00 ATOM 202 CA ALA 240 -20.262 8.011 -22.682 1.00 0.00 ATOM 203 CB ALA 240 -21.069 9.095 -21.986 1.00 0.00 ATOM 204 O ALA 240 -21.059 7.742 -24.973 1.00 0.00 ATOM 205 C ALA 240 -20.302 8.334 -24.154 1.00 0.00 ATOM 206 N GLU 241 -19.517 9.311 -24.612 1.00 0.00 ATOM 207 CA GLU 241 -19.503 9.603 -26.056 1.00 0.00 ATOM 208 CB GLU 241 -18.599 10.801 -26.352 1.00 0.00 ATOM 209 CG GLU 241 -19.152 12.132 -25.868 1.00 0.00 ATOM 210 CD GLU 241 -18.176 13.276 -26.067 1.00 0.00 ATOM 211 OE1 GLU 241 -17.040 13.016 -26.515 1.00 0.00 ATOM 212 OE2 GLU 241 -18.549 14.431 -25.776 1.00 0.00 ATOM 213 O GLU 241 -19.393 8.162 -27.954 1.00 0.00 ATOM 214 C GLU 241 -18.976 8.373 -26.821 1.00 0.00 ATOM 215 N ALA 242 -17.975 7.661 -26.294 1.00 0.00 ATOM 216 CA ALA 242 -17.472 6.484 -27.056 1.00 0.00 ATOM 217 CB ALA 242 -16.285 5.857 -26.342 1.00 0.00 ATOM 218 O ALA 242 -18.655 4.776 -28.275 1.00 0.00 ATOM 219 C ALA 242 -18.525 5.405 -27.222 1.00 0.00 ATOM 220 N VAL 243 -19.275 5.083 -26.159 1.00 0.00 ATOM 221 CA VAL 243 -20.352 4.110 -26.238 1.00 0.00 ATOM 222 CB VAL 243 -21.125 4.017 -24.909 1.00 0.00 ATOM 223 CG1 VAL 243 -22.362 3.147 -25.073 1.00 0.00 ATOM 224 CG2 VAL 243 -20.251 3.407 -23.825 1.00 0.00 ATOM 225 O VAL 243 -21.785 3.599 -28.128 1.00 0.00 ATOM 226 C VAL 243 -21.366 4.455 -27.315 1.00 0.00 ATOM 227 N ASN 244 -21.779 5.707 -27.372 1.00 0.00 ATOM 228 CA ASN 244 -22.738 6.189 -28.351 1.00 0.00 ATOM 229 CB ASN 244 -23.069 7.661 -28.095 1.00 0.00 ATOM 230 CG ASN 244 -24.135 8.190 -29.034 1.00 0.00 ATOM 231 ND2 ASN 244 -23.765 9.160 -29.862 1.00 0.00 ATOM 232 OD1 ASN 244 -25.277 7.731 -29.014 1.00 0.00 ATOM 233 O ASN 244 -22.974 5.637 -30.662 1.00 0.00 ATOM 234 C ASN 244 -22.236 6.089 -29.783 1.00 0.00 ATOM 235 N ARG 245 -20.990 6.515 -30.061 1.00 0.00 ATOM 236 CA ARG 245 -20.442 6.415 -31.415 1.00 0.00 ATOM 237 CB ARG 245 -19.055 7.058 -31.479 1.00 0.00 ATOM 238 CG ARG 245 -19.068 8.574 -31.372 1.00 0.00 ATOM 239 CD ARG 245 -17.658 9.140 -31.369 1.00 0.00 ATOM 240 NE ARG 245 -17.652 10.595 -31.238 1.00 0.00 ATOM 241 CZ ARG 245 -16.549 11.332 -31.136 1.00 0.00 ATOM 242 NH1 ARG 245 -16.641 12.648 -31.020 1.00 0.00 ATOM 243 NH2 ARG 245 -15.358 10.747 -31.151 1.00 0.00 ATOM 244 O ARG 245 -20.522 4.578 -33.013 1.00 0.00 ATOM 245 C ARG 245 -20.311 4.971 -31.845 1.00 0.00 ATOM 246 N ALA 246 -19.922 4.088 -30.902 1.00 0.00 ATOM 247 CA ALA 246 -19.717 2.677 -31.258 1.00 0.00 ATOM 248 CB ALA 246 -19.059 1.930 -30.107 1.00 0.00 ATOM 249 O ALA 246 -21.165 1.195 -32.541 1.00 0.00 ATOM 250 C ALA 246 -21.035 1.989 -31.573 1.00 0.00 ATOM 251 N LYS 247 -22.064 2.274 -30.773 1.00 0.00 ATOM 252 CA LYS 247 -23.413 1.700 -30.977 1.00 0.00 ATOM 253 CB LYS 247 -24.389 2.240 -29.930 1.00 0.00 ATOM 254 CG LYS 247 -25.798 1.682 -30.050 1.00 0.00 ATOM 255 CD LYS 247 -25.838 0.202 -29.708 1.00 0.00 ATOM 256 CE LYS 247 -27.265 -0.322 -29.686 1.00 0.00 ATOM 257 NZ LYS 247 -27.319 -1.771 -29.348 1.00 0.00 ATOM 258 O LYS 247 -24.404 1.253 -33.143 1.00 0.00 ATOM 259 C LYS 247 -23.899 2.083 -32.364 1.00 0.00 ATOM 260 N ALA 248 -23.819 3.366 -32.735 1.00 0.00 ATOM 261 CA ALA 248 -24.190 3.761 -34.094 1.00 0.00 ATOM 262 CB ALA 248 -23.986 5.256 -34.285 1.00 0.00 ATOM 263 O ALA 248 -24.013 2.582 -36.179 1.00 0.00 ATOM 264 C ALA 248 -23.390 3.074 -35.204 1.00 0.00 ATOM 265 N GLU 249 -22.076 2.996 -35.165 1.00 0.00 ATOM 266 CA GLU 249 -21.241 2.390 -36.210 1.00 0.00 ATOM 267 CB GLU 249 -19.768 2.735 -35.985 1.00 0.00 ATOM 268 CG GLU 249 -19.461 4.222 -36.049 1.00 0.00 ATOM 269 CD GLU 249 -18.023 4.537 -35.687 1.00 0.00 ATOM 270 OE1 GLU 249 -17.272 3.594 -35.361 1.00 0.00 ATOM 271 OE2 GLU 249 -17.647 5.727 -35.727 1.00 0.00 ATOM 272 O GLU 249 -21.161 0.270 -37.346 1.00 0.00 ATOM 273 C GLU 249 -21.325 0.887 -36.273 1.00 0.00 ATOM 274 N GLY 250 -23.906 -1.659 -34.771 1.00 0.00 ATOM 275 CA GLY 250 -25.099 -1.963 -34.003 1.00 0.00 ATOM 276 O GLY 250 -25.758 -3.481 -32.296 1.00 0.00 ATOM 277 C GLY 250 -25.070 -3.297 -33.294 1.00 0.00 ATOM 278 N ARG 251 -24.297 -4.273 -33.732 1.00 0.00 ATOM 279 CA ARG 251 -24.244 -5.563 -33.107 1.00 0.00 ATOM 280 CB ARG 251 -24.009 -6.656 -34.152 1.00 0.00 ATOM 281 CG ARG 251 -25.148 -6.820 -35.144 1.00 0.00 ATOM 282 CD ARG 251 -24.859 -7.933 -36.138 1.00 0.00 ATOM 283 NE ARG 251 -25.924 -8.075 -37.128 1.00 0.00 ATOM 284 CZ ARG 251 -25.881 -8.916 -38.157 1.00 0.00 ATOM 285 NH1 ARG 251 -26.898 -8.977 -39.006 1.00 0.00 ATOM 286 NH2 ARG 251 -24.821 -9.692 -38.335 1.00 0.00 ATOM 287 O ARG 251 -23.134 -6.825 -31.451 1.00 0.00 ATOM 288 C ARG 251 -23.164 -5.757 -32.074 1.00 0.00 ATOM 289 N ARG 252 -22.347 -4.741 -31.789 1.00 0.00 ATOM 290 CA ARG 252 -21.217 -4.922 -30.878 1.00 0.00 ATOM 291 CB ARG 252 -20.304 -3.696 -30.906 1.00 0.00 ATOM 292 CG ARG 252 -19.598 -3.477 -32.234 1.00 0.00 ATOM 293 CD ARG 252 -18.800 -2.183 -32.230 1.00 0.00 ATOM 294 NE ARG 252 -18.070 -1.985 -33.480 1.00 0.00 ATOM 295 CZ ARG 252 -18.577 -1.391 -34.556 1.00 0.00 ATOM 296 NH1 ARG 252 -17.838 -1.257 -35.648 1.00 0.00 ATOM 297 NH2 ARG 252 -19.821 -0.934 -34.536 1.00 0.00 ATOM 298 O ARG 252 -22.600 -4.507 -29.009 1.00 0.00 ATOM 299 C ARG 252 -21.623 -5.128 -29.442 1.00 0.00 ATOM 300 N VAL 253 -20.946 -6.054 -28.710 1.00 0.00 ATOM 301 CA VAL 253 -21.346 -6.186 -27.286 1.00 0.00 ATOM 302 CB VAL 253 -20.966 -7.567 -26.719 1.00 0.00 ATOM 303 CG1 VAL 253 -21.321 -7.652 -25.243 1.00 0.00 ATOM 304 CG2 VAL 253 -21.710 -8.668 -27.458 1.00 0.00 ATOM 305 O VAL 253 -19.409 -5.089 -26.429 1.00 0.00 ATOM 306 C VAL 253 -20.634 -5.107 -26.477 1.00 0.00 ATOM 307 N VAL 254 -21.409 -4.220 -25.811 1.00 0.00 ATOM 308 CA VAL 254 -20.755 -3.111 -25.130 1.00 0.00 ATOM 309 CB VAL 254 -21.123 -1.760 -25.770 1.00 0.00 ATOM 310 CG1 VAL 254 -20.457 -0.616 -25.020 1.00 0.00 ATOM 311 CG2 VAL 254 -20.664 -1.715 -27.220 1.00 0.00 ATOM 312 O VAL 254 -22.365 -2.990 -23.380 1.00 0.00 ATOM 313 C VAL 254 -21.162 -3.043 -23.655 1.00 0.00 ATOM 314 N ALA 255 -20.142 -2.939 -22.817 1.00 0.00 ATOM 315 CA ALA 255 -20.307 -2.780 -21.401 1.00 0.00 ATOM 316 CB ALA 255 -19.516 -3.843 -20.653 1.00 0.00 ATOM 317 O ALA 255 -18.684 -1.005 -21.300 1.00 0.00 ATOM 318 C ALA 255 -19.819 -1.402 -20.908 1.00 0.00 ATOM 319 N VAL 256 -20.560 -0.809 -20.001 1.00 0.00 ATOM 320 CA VAL 256 -20.036 0.433 -19.322 1.00 0.00 ATOM 321 CB VAL 256 -21.175 1.410 -18.973 1.00 0.00 ATOM 322 CG1 VAL 256 -20.627 2.627 -18.245 1.00 0.00 ATOM 323 CG2 VAL 256 -21.877 1.882 -20.238 1.00 0.00 ATOM 324 O VAL 256 -20.020 -0.684 -17.212 1.00 0.00 ATOM 325 C VAL 256 -19.345 -0.031 -18.059 1.00 0.00 ATOM 326 N GLY 257 -18.041 0.225 -17.841 1.00 0.00 ATOM 327 CA GLY 257 -17.435 -0.285 -16.603 1.00 0.00 ATOM 328 O GLY 257 -17.130 1.988 -15.867 1.00 0.00 ATOM 329 C GLY 257 -17.118 0.786 -15.584 1.00 0.00 ATOM 330 N THR 258 -16.787 0.431 -14.354 1.00 0.00 ATOM 331 CA THR 258 -16.463 1.263 -13.226 1.00 0.00 ATOM 332 CB THR 258 -15.159 2.050 -13.460 1.00 0.00 ATOM 333 CG2 THR 258 -13.995 1.099 -13.686 1.00 0.00 ATOM 334 OG1 THR 258 -15.307 2.888 -14.614 1.00 0.00 ATOM 335 O THR 258 -17.354 3.482 -12.767 1.00 0.00 ATOM 336 C THR 258 -17.593 2.288 -12.956 1.00 0.00 ATOM 337 N THR 259 -18.824 1.847 -13.020 1.00 0.00 ATOM 338 CA THR 259 -20.019 2.636 -12.762 1.00 0.00 ATOM 339 CB THR 259 -21.271 1.984 -13.378 1.00 0.00 ATOM 340 CG2 THR 259 -22.504 2.829 -13.099 1.00 0.00 ATOM 341 OG1 THR 259 -21.101 1.867 -14.797 1.00 0.00 ATOM 342 O THR 259 -20.332 1.736 -10.514 1.00 0.00 ATOM 343 C THR 259 -20.198 2.737 -11.241 1.00 0.00 ATOM 344 N VAL 260 -20.098 3.971 -10.715 1.00 0.00 ATOM 345 CA VAL 260 -20.237 4.135 -9.266 1.00 0.00 ATOM 346 CB VAL 260 -18.996 4.807 -8.651 1.00 0.00 ATOM 347 CG1 VAL 260 -17.756 3.960 -8.896 1.00 0.00 ATOM 348 CG2 VAL 260 -18.772 6.178 -9.269 1.00 0.00 ATOM 349 O VAL 260 -21.803 4.961 -7.667 1.00 0.00 ATOM 350 C VAL 260 -21.446 5.001 -8.854 1.00 0.00 ATOM 351 N VAL 261 -22.019 5.774 -9.740 1.00 0.00 ATOM 352 CA VAL 261 -23.124 6.693 -9.399 1.00 0.00 ATOM 353 CB VAL 261 -22.727 8.163 -9.627 1.00 0.00 ATOM 354 CG1 VAL 261 -21.557 8.544 -8.731 1.00 0.00 ATOM 355 CG2 VAL 261 -22.317 8.385 -11.073 1.00 0.00 ATOM 356 O VAL 261 -24.404 5.800 -11.251 1.00 0.00 ATOM 357 C VAL 261 -24.375 6.473 -10.202 1.00 0.00 ATOM 358 N ARG 262 -25.510 7.032 -9.677 1.00 0.00 ATOM 359 CA ARG 262 -26.779 6.913 -10.372 1.00 0.00 ATOM 360 CB ARG 262 -27.912 7.482 -9.516 1.00 0.00 ATOM 361 CG ARG 262 -28.262 6.635 -8.305 1.00 0.00 ATOM 362 CD ARG 262 -29.338 7.297 -7.460 1.00 0.00 ATOM 363 NE ARG 262 -29.683 6.496 -6.287 1.00 0.00 ATOM 364 CZ ARG 262 -30.536 6.881 -5.345 1.00 0.00 ATOM 365 NH1 ARG 262 -30.788 6.086 -4.314 1.00 0.00 ATOM 366 NH2 ARG 262 -31.137 8.059 -5.435 1.00 0.00 ATOM 367 O ARG 262 -27.389 7.192 -12.645 1.00 0.00 ATOM 368 C ARG 262 -26.761 7.684 -11.718 1.00 0.00 ATOM 369 N ALA 263 -26.115 8.843 -11.787 1.00 0.00 ATOM 370 CA ALA 263 -25.981 9.566 -13.046 1.00 0.00 ATOM 371 CB ALA 263 -25.160 10.831 -12.847 1.00 0.00 ATOM 372 O ALA 263 -25.643 8.774 -15.300 1.00 0.00 ATOM 373 C ALA 263 -25.275 8.700 -14.123 1.00 0.00 ATOM 374 N LEU 264 -24.240 7.971 -13.785 1.00 0.00 ATOM 375 CA LEU 264 -23.489 7.130 -14.756 1.00 0.00 ATOM 376 CB LEU 264 -22.248 6.527 -14.095 1.00 0.00 ATOM 377 CG LEU 264 -21.130 7.506 -13.732 1.00 0.00 ATOM 378 CD1 LEU 264 -20.044 6.808 -12.928 1.00 0.00 ATOM 379 CD2 LEU 264 -20.493 8.083 -14.988 1.00 0.00 ATOM 380 O LEU 264 -24.450 5.660 -16.444 1.00 0.00 ATOM 381 C LEU 264 -24.375 5.990 -15.261 1.00 0.00 ATOM 382 N GLU 265 -25.130 5.403 -14.308 1.00 0.00 ATOM 383 CA GLU 265 -26.098 4.357 -14.768 1.00 0.00 ATOM 384 CB GLU 265 -26.967 3.878 -13.603 1.00 0.00 ATOM 385 CG GLU 265 -26.216 3.052 -12.570 1.00 0.00 ATOM 386 CD GLU 265 -27.120 2.539 -11.467 1.00 0.00 ATOM 387 OE1 GLU 265 -27.829 3.363 -10.848 1.00 0.00 ATOM 388 OE2 GLU 265 -27.121 1.315 -11.219 1.00 0.00 ATOM 389 O GLU 265 -27.212 4.294 -16.909 1.00 0.00 ATOM 390 C GLU 265 -27.008 4.917 -15.848 1.00 0.00 ATOM 391 N SER 266 -27.667 6.049 -15.537 1.00 0.00 ATOM 392 CA SER 266 -28.620 6.677 -16.438 1.00 0.00 ATOM 393 CB SER 266 -29.143 7.984 -15.839 1.00 0.00 ATOM 394 OG SER 266 -29.908 7.741 -14.671 1.00 0.00 ATOM 395 O SER 266 -28.633 6.725 -18.827 1.00 0.00 ATOM 396 C SER 266 -28.013 7.009 -17.785 1.00 0.00 ATOM 397 N ALA 267 -26.810 7.549 -17.773 1.00 0.00 ATOM 398 CA ALA 267 -26.123 7.937 -19.016 1.00 0.00 ATOM 399 CB ALA 267 -24.943 8.845 -18.709 1.00 0.00 ATOM 400 O ALA 267 -25.652 6.659 -20.973 1.00 0.00 ATOM 401 C ALA 267 -25.598 6.705 -19.756 1.00 0.00 ATOM 402 N TYR 268 -25.150 5.686 -19.031 1.00 0.00 ATOM 403 CA TYR 268 -24.753 4.427 -19.674 1.00 0.00 ATOM 404 CB TYR 268 -24.317 3.404 -18.625 1.00 0.00 ATOM 405 CG TYR 268 -22.957 3.684 -18.024 1.00 0.00 ATOM 406 CD1 TYR 268 -22.841 4.246 -16.759 1.00 0.00 ATOM 407 CD2 TYR 268 -21.796 3.384 -18.723 1.00 0.00 ATOM 408 CE1 TYR 268 -21.603 4.506 -16.203 1.00 0.00 ATOM 409 CE2 TYR 268 -20.550 3.637 -18.183 1.00 0.00 ATOM 410 CZ TYR 268 -20.460 4.203 -16.911 1.00 0.00 ATOM 411 OH TYR 268 -19.227 4.460 -16.360 1.00 0.00 ATOM 412 O TYR 268 -25.767 3.312 -21.598 1.00 0.00 ATOM 413 C TYR 268 -25.901 3.823 -20.469 1.00 0.00 ATOM 414 N ARG 269 -27.113 3.802 -19.865 1.00 0.00 ATOM 415 CA ARG 269 -28.274 3.288 -20.579 1.00 0.00 ATOM 416 CB ARG 269 -29.499 3.264 -19.661 1.00 0.00 ATOM 417 CG ARG 269 -29.435 2.210 -18.569 1.00 0.00 ATOM 418 CD ARG 269 -30.659 2.275 -17.669 1.00 0.00 ATOM 419 NE ARG 269 -30.591 1.300 -16.582 1.00 0.00 ATOM 420 CZ ARG 269 -31.504 1.185 -15.624 1.00 0.00 ATOM 421 NH1 ARG 269 -31.358 0.268 -14.676 1.00 0.00 ATOM 422 NH2 ARG 269 -32.561 1.985 -15.616 1.00 0.00 ATOM 423 O ARG 269 -28.928 3.515 -22.851 1.00 0.00 ATOM 424 C ARG 269 -28.653 4.122 -21.807 1.00 0.00 ATOM 425 N GLU 270 -28.738 5.456 -21.710 1.00 0.00 ATOM 426 CA GLU 270 -29.096 6.256 -22.893 1.00 0.00 ATOM 427 CB GLU 270 -29.358 7.711 -22.498 1.00 0.00 ATOM 428 CG GLU 270 -30.626 7.915 -21.685 1.00 0.00 ATOM 429 CD GLU 270 -30.814 9.356 -21.250 1.00 0.00 ATOM 430 OE1 GLU 270 -29.930 10.186 -21.551 1.00 0.00 ATOM 431 OE2 GLU 270 -31.842 9.653 -20.609 1.00 0.00 ATOM 432 O GLU 270 -28.269 6.370 -25.184 1.00 0.00 ATOM 433 C GLU 270 -28.010 6.280 -23.970 1.00 0.00 ATOM 434 N GLY 271 -26.740 6.047 -23.611 1.00 0.00 ATOM 435 CA GLY 271 -25.675 6.018 -24.608 1.00 0.00 ATOM 436 O GLY 271 -25.209 4.705 -26.533 1.00 0.00 ATOM 437 C GLY 271 -25.756 4.728 -25.428 1.00 0.00 ATOM 441 N GLU 280 -26.347 3.655 -24.883 1.00 0.00 ATOM 442 CA GLU 280 -26.476 2.435 -25.649 1.00 0.00 ATOM 443 CB GLU 280 -25.955 2.638 -27.073 1.00 0.00 ATOM 444 CG GLU 280 -26.748 3.648 -27.886 1.00 0.00 ATOM 445 CD GLU 280 -28.121 3.134 -28.274 1.00 0.00 ATOM 446 OE1 GLU 280 -28.383 1.930 -28.074 1.00 0.00 ATOM 447 OE2 GLU 280 -28.935 3.936 -28.778 1.00 0.00 ATOM 448 O GLU 280 -25.749 0.211 -25.832 1.00 0.00 ATOM 449 C GLU 280 -25.739 1.233 -25.129 1.00 0.00 ATOM 450 N THR 281 -25.217 1.239 -23.893 1.00 0.00 ATOM 451 CA THR 281 -24.460 0.063 -23.418 1.00 0.00 ATOM 452 CB THR 281 -23.819 0.322 -22.042 1.00 0.00 ATOM 453 CG2 THR 281 -22.890 1.524 -22.106 1.00 0.00 ATOM 454 OG1 THR 281 -24.844 0.580 -21.075 1.00 0.00 ATOM 455 O THR 281 -26.567 -0.910 -22.987 1.00 0.00 ATOM 456 C THR 281 -25.385 -1.155 -23.285 1.00 0.00 ATOM 457 N ARG 282 -24.837 -2.377 -23.356 1.00 0.00 ATOM 458 CA ARG 282 -25.728 -3.548 -23.131 1.00 0.00 ATOM 459 CB ARG 282 -25.189 -4.780 -23.861 1.00 0.00 ATOM 460 CG ARG 282 -25.105 -4.619 -25.371 1.00 0.00 ATOM 461 CD ARG 282 -24.624 -5.899 -26.035 1.00 0.00 ATOM 462 NE ARG 282 -25.557 -7.005 -25.833 1.00 0.00 ATOM 463 CZ ARG 282 -25.327 -8.256 -26.218 1.00 0.00 ATOM 464 NH1 ARG 282 -26.232 -9.197 -25.993 1.00 0.00 ATOM 465 NH2 ARG 282 -24.190 -8.563 -26.830 1.00 0.00 ATOM 466 O ARG 282 -26.904 -4.415 -21.219 1.00 0.00 ATOM 467 C ARG 282 -25.857 -3.916 -21.657 1.00 0.00 ATOM 468 N LEU 283 -24.853 -3.669 -20.849 1.00 0.00 ATOM 469 CA LEU 283 -24.876 -4.022 -19.424 1.00 0.00 ATOM 470 CB LEU 283 -24.512 -5.495 -19.231 1.00 0.00 ATOM 471 CG LEU 283 -23.148 -5.933 -19.766 1.00 0.00 ATOM 472 CD1 LEU 283 -22.052 -5.631 -18.756 1.00 0.00 ATOM 473 CD2 LEU 283 -23.135 -7.428 -20.048 1.00 0.00 ATOM 474 O LEU 283 -23.010 -2.524 -19.221 1.00 0.00 ATOM 475 C LEU 283 -23.876 -3.176 -18.648 1.00 0.00 ATOM 476 N PHE 284 -23.916 -3.303 -17.324 1.00 0.00 ATOM 477 CA PHE 284 -23.062 -2.512 -16.453 1.00 0.00 ATOM 478 CB PHE 284 -23.908 -1.666 -15.499 1.00 0.00 ATOM 479 CG PHE 284 -24.753 -0.636 -16.190 1.00 0.00 ATOM 480 CD1 PHE 284 -26.054 -0.924 -16.563 1.00 0.00 ATOM 481 CD2 PHE 284 -24.249 0.622 -16.467 1.00 0.00 ATOM 482 CE1 PHE 284 -26.833 0.026 -17.199 1.00 0.00 ATOM 483 CE2 PHE 284 -25.027 1.572 -17.103 1.00 0.00 ATOM 484 CZ PHE 284 -26.314 1.277 -17.469 1.00 0.00 ATOM 485 O PHE 284 -22.606 -4.441 -15.126 1.00 0.00 ATOM 486 C PHE 284 -22.156 -3.390 -15.618 1.00 0.00 ATOM 487 N ILE 285 -20.911 -2.953 -15.424 1.00 0.00 ATOM 488 CA ILE 285 -19.968 -3.664 -14.581 1.00 0.00 ATOM 489 CB ILE 285 -18.744 -4.144 -15.383 1.00 0.00 ATOM 490 CG1 ILE 285 -19.185 -5.027 -16.552 1.00 0.00 ATOM 491 CG2 ILE 285 -17.809 -4.951 -14.496 1.00 0.00 ATOM 492 CD1 ILE 285 -19.888 -6.298 -16.126 1.00 0.00 ATOM 493 O ILE 285 -19.134 -1.571 -13.702 1.00 0.00 ATOM 494 C ILE 285 -19.481 -2.743 -13.466 1.00 0.00 ATOM 495 N ARG 286 -19.336 -3.241 -12.233 1.00 0.00 ATOM 496 CA ARG 286 -18.903 -2.367 -11.112 1.00 0.00 ATOM 497 CB ARG 286 -20.089 -2.038 -10.202 1.00 0.00 ATOM 498 CG ARG 286 -21.122 -1.122 -10.837 1.00 0.00 ATOM 499 CD ARG 286 -22.268 -0.837 -9.879 1.00 0.00 ATOM 500 NE ARG 286 -23.026 -2.043 -9.558 1.00 0.00 ATOM 501 CZ ARG 286 -24.021 -2.521 -10.297 1.00 0.00 ATOM 502 NH1 ARG 286 -24.653 -3.626 -9.926 1.00 0.00 ATOM 503 NH2 ARG 286 -24.382 -1.892 -11.408 1.00 0.00 ATOM 504 O ARG 286 -17.848 -4.335 -10.228 1.00 0.00 ATOM 505 C ARG 286 -17.844 -3.083 -10.304 1.00 0.00 ATOM 506 N PRO 287 -16.945 -2.360 -9.606 1.00 0.00 ATOM 507 CA PRO 287 -15.830 -3.021 -8.957 1.00 0.00 ATOM 508 CB PRO 287 -14.815 -1.898 -8.730 1.00 0.00 ATOM 509 CG PRO 287 -15.239 -0.818 -9.668 1.00 0.00 ATOM 510 CD PRO 287 -16.736 -0.906 -9.756 1.00 0.00 ATOM 511 O PRO 287 -15.714 -4.661 -7.168 1.00 0.00 ATOM 512 C PRO 287 -16.268 -3.655 -7.644 1.00 0.00 ATOM 513 N PRO 288 -17.250 -3.002 -7.000 1.00 0.00 ATOM 514 CA PRO 288 -17.792 -3.511 -5.739 1.00 0.00 ATOM 515 CB PRO 288 -17.388 -2.453 -4.710 1.00 0.00 ATOM 516 CG PRO 288 -17.297 -1.186 -5.492 1.00 0.00 ATOM 517 CD PRO 288 -16.786 -1.571 -6.853 1.00 0.00 ATOM 518 O PRO 288 -19.806 -3.635 -7.070 1.00 0.00 ATOM 519 C PRO 288 -19.348 -3.630 -5.930 1.00 0.00 ATOM 520 N TYR 289 -20.063 -3.858 -4.860 1.00 0.00 ATOM 521 CA TYR 289 -21.513 -4.013 -4.879 1.00 0.00 ATOM 522 CB TYR 289 -21.912 -5.398 -4.365 1.00 0.00 ATOM 523 CG TYR 289 -21.384 -6.539 -5.205 1.00 0.00 ATOM 524 CD1 TYR 289 -20.159 -7.127 -4.917 1.00 0.00 ATOM 525 CD2 TYR 289 -22.113 -7.022 -6.285 1.00 0.00 ATOM 526 CE1 TYR 289 -19.668 -8.170 -5.680 1.00 0.00 ATOM 527 CE2 TYR 289 -21.637 -8.064 -7.059 1.00 0.00 ATOM 528 CZ TYR 289 -20.406 -8.637 -6.747 1.00 0.00 ATOM 529 OH TYR 289 -19.918 -9.675 -7.510 1.00 0.00 ATOM 530 O TYR 289 -21.997 -2.967 -2.757 1.00 0.00 ATOM 531 C TYR 289 -22.140 -2.944 -3.982 1.00 0.00 ATOM 532 N THR 290 -22.739 -1.940 -4.613 1.00 0.00 ATOM 533 CA THR 290 -23.448 -0.891 -3.880 1.00 0.00 ATOM 534 CB THR 290 -23.049 0.512 -4.372 1.00 0.00 ATOM 535 CG2 THR 290 -23.810 1.583 -3.605 1.00 0.00 ATOM 536 OG1 THR 290 -21.644 0.710 -4.172 1.00 0.00 ATOM 537 O THR 290 -25.313 -1.134 -5.341 1.00 0.00 ATOM 538 C THR 290 -24.932 -1.199 -4.177 1.00 0.00 ATOM 539 N PHE 291 -25.695 -1.570 -3.168 1.00 0.00 ATOM 540 CA PHE 291 -27.069 -2.044 -3.379 1.00 0.00 ATOM 541 CB PHE 291 -27.714 -2.428 -2.047 1.00 0.00 ATOM 542 CG PHE 291 -27.243 -3.746 -1.501 1.00 0.00 ATOM 543 CD1 PHE 291 -26.322 -3.796 -0.470 1.00 0.00 ATOM 544 CD2 PHE 291 -27.722 -4.936 -2.020 1.00 0.00 ATOM 545 CE1 PHE 291 -25.891 -5.009 0.032 1.00 0.00 ATOM 546 CE2 PHE 291 -27.290 -6.149 -1.520 1.00 0.00 ATOM 547 CZ PHE 291 -26.378 -6.189 -0.497 1.00 0.00 ATOM 548 O PHE 291 -28.825 -1.434 -4.801 1.00 0.00 ATOM 549 C PHE 291 -27.966 -1.019 -4.021 1.00 0.00 ATOM 550 N LYS 292 -27.779 0.308 -3.824 1.00 0.00 ATOM 551 CA LYS 292 -28.677 1.249 -4.500 1.00 0.00 ATOM 552 CB LYS 292 -28.432 2.675 -4.002 1.00 0.00 ATOM 553 CG LYS 292 -28.886 2.920 -2.572 1.00 0.00 ATOM 554 CD LYS 292 -28.618 4.354 -2.147 1.00 0.00 ATOM 555 CE LYS 292 -29.041 4.590 -0.705 1.00 0.00 ATOM 556 NZ LYS 292 -28.761 5.985 -0.266 1.00 0.00 ATOM 557 O LYS 292 -29.370 1.410 -6.790 1.00 0.00 ATOM 558 C LYS 292 -28.438 1.211 -6.013 1.00 0.00 ATOM 559 N VAL 293 -27.142 1.028 -6.430 1.00 0.00 ATOM 560 CA VAL 293 -26.821 0.970 -7.853 1.00 0.00 ATOM 561 CB VAL 293 -25.299 1.007 -8.090 1.00 0.00 ATOM 562 CG1 VAL 293 -24.983 0.755 -9.555 1.00 0.00 ATOM 563 CG2 VAL 293 -24.734 2.365 -7.702 1.00 0.00 ATOM 564 O VAL 293 -27.856 -0.337 -9.628 1.00 0.00 ATOM 565 C VAL 293 -27.353 -0.306 -8.475 1.00 0.00 ATOM 566 N VAL 294 -27.232 -1.446 -7.750 1.00 0.00 ATOM 567 CA VAL 294 -27.788 -2.701 -8.318 1.00 0.00 ATOM 568 CB VAL 294 -27.459 -3.916 -7.431 1.00 0.00 ATOM 569 CG1 VAL 294 -28.193 -5.153 -7.927 1.00 0.00 ATOM 570 CG2 VAL 294 -25.965 -4.203 -7.453 1.00 0.00 ATOM 571 O VAL 294 -29.855 -2.970 -9.478 1.00 0.00 ATOM 572 C VAL 294 -29.286 -2.614 -8.441 1.00 0.00 ATOM 573 N ASP 295 -29.962 -2.114 -7.399 1.00 0.00 ATOM 574 CA ASP 295 -31.443 -1.991 -7.448 1.00 0.00 ATOM 575 CB ASP 295 -31.976 -1.405 -6.138 1.00 0.00 ATOM 576 CG ASP 295 -31.909 -2.391 -4.990 1.00 0.00 ATOM 577 OD1 ASP 295 -31.678 -3.591 -5.249 1.00 0.00 ATOM 578 OD2 ASP 295 -32.090 -1.964 -3.829 1.00 0.00 ATOM 579 O ASP 295 -32.894 -1.360 -9.300 1.00 0.00 ATOM 580 C ASP 295 -31.901 -1.090 -8.571 1.00 0.00 ATOM 581 N ALA 296 -31.225 0.032 -8.818 1.00 0.00 ATOM 582 CA ALA 296 -31.542 0.926 -9.922 1.00 0.00 ATOM 583 CB ALA 296 -30.593 2.115 -9.932 1.00 0.00 ATOM 584 O ALA 296 -32.348 0.408 -12.093 1.00 0.00 ATOM 585 C ALA 296 -31.430 0.248 -11.273 1.00 0.00 ATOM 586 N LEU 297 -30.317 -0.493 -11.541 1.00 0.00 ATOM 587 CA LEU 297 -30.281 -1.196 -12.847 1.00 0.00 ATOM 588 CB LEU 297 -28.967 -1.966 -13.003 1.00 0.00 ATOM 589 CG LEU 297 -27.683 -1.138 -12.925 1.00 0.00 ATOM 590 CD1 LEU 297 -26.458 -2.040 -12.973 1.00 0.00 ATOM 591 CD2 LEU 297 -27.601 -0.162 -14.089 1.00 0.00 ATOM 592 O LEU 297 -32.049 -2.399 -14.034 1.00 0.00 ATOM 593 C LEU 297 -31.440 -2.195 -12.960 1.00 0.00 TER END