PFRMAT TS TARGET T0221 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 This is the model with the sidechains repacked by Rosetta. METHOD Thhe model with the lowest Rosetta energy function was chosen, even METHOD though it did not score best with the undertaker cost function. REMARK 6 REMARK 6 T0221 model 2 Fri Jul 16 16:36:36 2004 MODEL 2 PARENT 1dny_A 1l0i_A 1klp_A 1f80_D 1acp REMARK 7 REMARK 7 ALLPARENTS 1dny_A 1l0i_A 1klp_A 1f80_D 1acp 2af8 1af8 REMARK 7 ALLPARENTS 1dv5_A ATOM 1 N MET 1 -4.817 27.634 -5.673 1.00 0.00 ATOM 2 CA MET 1 -5.248 26.783 -4.521 1.00 0.00 ATOM 3 CB MET 1 -5.432 27.641 -3.271 1.00 0.00 ATOM 4 CG MET 1 -4.256 28.556 -2.957 1.00 0.00 ATOM 5 SD MET 1 -2.697 27.660 -2.808 1.00 0.00 ATOM 6 CE MET 1 -2.956 26.788 -1.266 1.00 0.00 ATOM 7 O MET 1 -7.193 26.423 -5.891 1.00 0.00 ATOM 8 C MET 1 -6.536 26.065 -4.908 1.00 0.00 ATOM 9 N LYS 2 -6.873 25.006 -4.164 1.00 0.00 ATOM 10 CA LYS 2 -8.084 24.230 -4.405 1.00 0.00 ATOM 11 CB LYS 2 -7.739 22.875 -5.025 1.00 0.00 ATOM 12 CG LYS 2 -7.133 22.958 -6.420 1.00 0.00 ATOM 13 CD LYS 2 -6.859 21.574 -6.988 1.00 0.00 ATOM 14 CE LYS 2 -6.190 21.657 -8.353 1.00 0.00 ATOM 15 NZ LYS 2 -5.912 20.309 -8.918 1.00 0.00 ATOM 16 O LYS 2 -8.301 23.689 -2.084 1.00 0.00 ATOM 17 C LYS 2 -8.873 24.031 -3.119 1.00 0.00 ATOM 18 N THR 3 -10.255 24.155 -3.199 1.00 0.00 ATOM 19 CA THR 3 -11.070 23.871 -2.029 1.00 0.00 ATOM 20 CB THR 3 -12.573 23.982 -2.346 1.00 0.00 ATOM 21 CG2 THR 3 -13.404 23.634 -1.120 1.00 0.00 ATOM 22 OG1 THR 3 -12.879 25.320 -2.762 1.00 0.00 ATOM 23 O THR 3 -10.724 22.284 -0.262 1.00 0.00 ATOM 24 C THR 3 -10.781 22.479 -1.475 1.00 0.00 ATOM 25 N ILE 4 -10.543 21.523 -2.359 1.00 0.00 ATOM 26 CA ILE 4 -10.267 20.153 -1.946 1.00 0.00 ATOM 27 CB ILE 4 -10.452 19.168 -3.115 1.00 0.00 ATOM 28 CG1 ILE 4 -11.898 19.196 -3.616 1.00 0.00 ATOM 29 CG2 ILE 4 -10.124 17.749 -2.674 1.00 0.00 ATOM 30 CD1 ILE 4 -12.117 18.420 -4.895 1.00 0.00 ATOM 31 O ILE 4 -8.534 20.014 -0.243 1.00 0.00 ATOM 32 C ILE 4 -8.842 19.996 -1.437 1.00 0.00 ATOM 33 N GLN 5 -7.919 19.771 -2.462 1.00 0.00 ATOM 34 CA GLN 5 -6.512 19.649 -2.088 1.00 0.00 ATOM 35 CB GLN 5 -5.610 19.946 -3.289 1.00 0.00 ATOM 36 CG GLN 5 -5.739 18.947 -4.426 1.00 0.00 ATOM 37 CD GLN 5 -5.319 17.549 -4.019 1.00 0.00 ATOM 38 OE1 GLN 5 -4.276 17.358 -3.386 1.00 0.00 ATOM 39 NE2 GLN 5 -6.128 16.559 -4.381 1.00 0.00 ATOM 40 O GLN 5 -6.760 21.682 -0.826 1.00 0.00 ATOM 41 C GLN 5 -6.183 20.597 -0.934 1.00 0.00 ATOM 42 N PRO 6 -5.222 20.213 -0.076 1.00 0.00 ATOM 43 CA PRO 6 -4.768 20.983 1.085 1.00 0.00 ATOM 44 CB PRO 6 -3.504 20.253 1.544 1.00 0.00 ATOM 45 CG PRO 6 -3.716 18.838 1.116 1.00 0.00 ATOM 46 CD PRO 6 -4.395 18.905 -0.223 1.00 0.00 ATOM 47 O PRO 6 -3.592 22.738 -0.056 1.00 0.00 ATOM 48 C PRO 6 -4.448 22.443 0.781 1.00 0.00 ATOM 49 N CYS 7 -5.227 23.286 1.564 1.00 0.00 ATOM 50 CA CYS 7 -5.035 24.726 1.455 1.00 0.00 ATOM 51 CB CYS 7 -6.011 25.321 0.438 1.00 0.00 ATOM 52 SG CYS 7 -5.858 27.109 0.214 1.00 0.00 ATOM 53 O CYS 7 -6.229 25.030 3.524 1.00 0.00 ATOM 54 C CYS 7 -5.280 25.372 2.818 1.00 0.00 ATOM 55 N SER 8 -4.427 26.326 3.170 1.00 0.00 ATOM 56 CA SER 8 -4.558 27.014 4.449 1.00 0.00 ATOM 57 CB SER 8 -3.483 26.542 5.408 1.00 0.00 ATOM 58 OG SER 8 -2.198 26.893 4.973 1.00 0.00 ATOM 59 O SER 8 -4.059 28.968 3.168 1.00 0.00 ATOM 60 C SER 8 -4.481 28.509 4.233 1.00 0.00 ATOM 61 N VAL 9 -4.826 29.299 5.253 1.00 0.00 ATOM 62 CA VAL 9 -4.755 30.751 5.232 1.00 0.00 ATOM 63 CB VAL 9 -5.132 31.356 6.597 1.00 0.00 ATOM 64 CG1 VAL 9 -4.856 32.852 6.612 1.00 0.00 ATOM 65 CG2 VAL 9 -6.595 31.083 6.915 1.00 0.00 ATOM 66 O VAL 9 -3.229 32.108 3.941 1.00 0.00 ATOM 67 C VAL 9 -3.370 31.272 4.846 1.00 0.00 ATOM 68 N GLU 10 -2.348 30.790 5.538 1.00 0.00 ATOM 69 CA GLU 10 -0.973 31.193 5.266 1.00 0.00 ATOM 70 CB GLU 10 -0.005 30.458 6.196 1.00 0.00 ATOM 71 CG GLU 10 1.456 30.846 6.018 1.00 0.00 ATOM 72 CD GLU 10 2.338 30.116 6.992 1.00 0.00 ATOM 73 OE1 GLU 10 1.823 29.360 7.780 1.00 0.00 ATOM 74 OE2 GLU 10 3.536 30.227 6.877 1.00 0.00 ATOM 75 O GLU 10 -0.094 31.790 3.118 1.00 0.00 ATOM 76 C GLU 10 -0.636 30.919 3.804 1.00 0.00 ATOM 77 N ASP 11 -0.969 29.730 3.324 1.00 0.00 ATOM 78 CA ASP 11 -0.727 29.427 1.923 1.00 0.00 ATOM 79 CB ASP 11 -1.175 28.001 1.597 1.00 0.00 ATOM 80 CG ASP 11 -0.245 26.953 2.177 1.00 0.00 ATOM 81 OD1 ASP 11 0.861 27.321 2.622 1.00 0.00 ATOM 82 OD2 ASP 11 -0.625 25.763 2.184 1.00 0.00 ATOM 83 O ASP 11 -0.907 30.733 -0.090 1.00 0.00 ATOM 84 C ASP 11 -1.460 30.349 0.946 1.00 0.00 ATOM 85 N ILE 12 -2.683 30.726 1.351 1.00 0.00 ATOM 86 CA ILE 12 -3.493 31.633 0.536 1.00 0.00 ATOM 87 CB ILE 12 -4.930 31.749 1.080 1.00 0.00 ATOM 88 CG1 ILE 12 -5.673 30.421 0.916 1.00 0.00 ATOM 89 CG2 ILE 12 -5.675 32.871 0.374 1.00 0.00 ATOM 90 CD1 ILE 12 -6.988 30.362 1.656 1.00 0.00 ATOM 91 O ILE 12 -2.690 33.593 -0.600 1.00 0.00 ATOM 92 C ILE 12 -2.859 33.019 0.479 1.00 0.00 ATOM 93 N GLN 13 -2.475 33.567 1.631 1.00 0.00 ATOM 94 CA GLN 13 -1.881 34.892 1.623 1.00 0.00 ATOM 95 CB GLN 13 -1.753 35.431 3.051 1.00 0.00 ATOM 96 CG GLN 13 -1.190 36.839 3.137 1.00 0.00 ATOM 97 CD GLN 13 -1.127 37.351 4.563 1.00 0.00 ATOM 98 OE1 GLN 13 -1.449 36.630 5.511 1.00 0.00 ATOM 99 NE2 GLN 13 -0.717 38.605 4.723 1.00 0.00 ATOM 100 O GLN 13 -0.275 35.904 0.173 1.00 0.00 ATOM 101 C GLN 13 -0.512 34.953 0.970 1.00 0.00 ATOM 102 N SER 14 0.366 33.994 1.234 1.00 0.00 ATOM 103 CA SER 14 1.674 34.035 0.584 1.00 0.00 ATOM 104 CB SER 14 2.576 32.923 1.124 1.00 0.00 ATOM 105 OG SER 14 2.883 33.134 2.491 1.00 0.00 ATOM 106 O SER 14 2.256 34.571 -1.624 1.00 0.00 ATOM 107 C SER 14 1.581 33.861 -0.906 1.00 0.00 ATOM 108 N TRP 15 0.736 32.954 -1.392 1.00 0.00 ATOM 109 CA TRP 15 0.574 32.798 -2.817 1.00 0.00 ATOM 110 CB TRP 15 -0.295 31.577 -3.125 1.00 0.00 ATOM 111 CG TRP 15 0.473 30.291 -3.162 1.00 0.00 ATOM 112 CD1 TRP 15 0.232 29.176 -2.416 1.00 0.00 ATOM 113 CD2 TRP 15 1.604 29.986 -3.986 1.00 0.00 ATOM 114 CE2 TRP 15 1.996 28.669 -3.686 1.00 0.00 ATOM 115 CE3 TRP 15 2.325 30.702 -4.950 1.00 0.00 ATOM 116 NE1 TRP 15 1.143 28.195 -2.723 1.00 0.00 ATOM 117 CZ2 TRP 15 3.070 28.053 -4.309 1.00 0.00 ATOM 118 CZ3 TRP 15 3.401 30.084 -5.576 1.00 0.00 ATOM 119 CH2 TRP 15 3.763 28.797 -5.265 1.00 0.00 ATOM 120 O TRP 15 0.321 34.493 -4.518 1.00 0.00 ATOM 121 C TRP 15 -0.037 34.051 -3.417 1.00 0.00 ATOM 122 N LEU 16 -0.974 34.664 -2.722 1.00 0.00 ATOM 123 CA LEU 16 -1.569 35.893 -3.272 1.00 0.00 ATOM 124 CB LEU 16 -2.741 36.353 -2.395 1.00 0.00 ATOM 125 CG LEU 16 -4.130 35.929 -2.888 1.00 0.00 ATOM 126 CD1 LEU 16 -4.076 34.515 -3.452 1.00 0.00 ATOM 127 CD2 LEU 16 -5.125 36.014 -1.740 1.00 0.00 ATOM 128 O LEU 16 -0.454 37.686 -4.409 1.00 0.00 ATOM 129 C LEU 16 -0.508 36.975 -3.379 1.00 0.00 ATOM 130 N ILE 17 0.311 37.154 -2.368 1.00 0.00 ATOM 131 CA ILE 17 1.373 38.164 -2.371 1.00 0.00 ATOM 132 CB ILE 17 2.146 38.175 -1.040 1.00 0.00 ATOM 133 CG1 ILE 17 1.284 38.777 0.073 1.00 0.00 ATOM 134 CG2 ILE 17 3.448 38.947 -1.187 1.00 0.00 ATOM 135 CD1 ILE 17 1.856 38.585 1.459 1.00 0.00 ATOM 136 O ILE 17 2.724 38.850 -4.226 1.00 0.00 ATOM 137 C ILE 17 2.342 37.914 -3.522 1.00 0.00 ATOM 138 N ASP 18 2.752 36.659 -3.709 1.00 0.00 ATOM 139 CA ASP 18 3.680 36.306 -4.776 1.00 0.00 ATOM 140 CB ASP 18 4.001 34.809 -4.787 1.00 0.00 ATOM 141 CG ASP 18 4.874 34.393 -3.619 1.00 0.00 ATOM 142 OD1 ASP 18 5.431 35.287 -2.945 1.00 0.00 ATOM 143 OD2 ASP 18 5.000 33.175 -3.378 1.00 0.00 ATOM 144 O ASP 18 3.809 37.204 -7.009 1.00 0.00 ATOM 145 C ASP 18 3.113 36.665 -6.149 1.00 0.00 ATOM 146 N GLN 19 1.831 36.367 -6.317 1.00 0.00 ATOM 147 CA GLN 19 1.213 36.686 -7.597 1.00 0.00 ATOM 148 CB GLN 19 -0.180 36.057 -7.692 1.00 0.00 ATOM 149 CG GLN 19 -0.191 34.545 -7.552 1.00 0.00 ATOM 150 CD GLN 19 0.793 33.870 -8.489 1.00 0.00 ATOM 151 OE1 GLN 19 0.874 34.205 -9.673 1.00 0.00 ATOM 152 NE2 GLN 19 1.546 32.910 -7.963 1.00 0.00 ATOM 153 O GLN 19 1.374 38.706 -8.877 1.00 0.00 ATOM 154 C GLN 19 1.118 38.201 -7.789 1.00 0.00 ATOM 155 N PHE 20 0.739 38.972 -6.737 1.00 0.00 ATOM 156 CA PHE 20 0.667 40.434 -6.816 1.00 0.00 ATOM 157 CB PHE 20 0.141 41.014 -5.502 1.00 0.00 ATOM 158 CG PHE 20 -1.231 40.528 -5.130 1.00 0.00 ATOM 159 CD1 PHE 20 -2.029 39.881 -6.063 1.00 0.00 ATOM 160 CD2 PHE 20 -1.726 40.716 -3.850 1.00 0.00 ATOM 161 CE1 PHE 20 -3.291 39.433 -5.722 1.00 0.00 ATOM 162 CE2 PHE 20 -2.986 40.268 -3.506 1.00 0.00 ATOM 163 CZ PHE 20 -3.770 39.625 -4.444 1.00 0.00 ATOM 164 O PHE 20 2.117 41.916 -7.999 1.00 0.00 ATOM 165 C PHE 20 2.019 41.037 -7.146 1.00 0.00 ATOM 166 N ALA 21 3.070 40.551 -6.432 1.00 0.00 ATOM 167 CA ALA 21 4.399 41.095 -6.715 1.00 0.00 ATOM 168 CB ALA 21 5.429 40.505 -5.752 1.00 0.00 ATOM 169 O ALA 21 5.498 41.717 -8.758 1.00 0.00 ATOM 170 C ALA 21 4.861 40.858 -8.155 1.00 0.00 ATOM 171 N GLN 22 4.547 39.695 -8.658 1.00 0.00 ATOM 172 CA GLN 22 4.928 39.341 -10.029 1.00 0.00 ATOM 173 CB GLN 22 4.647 37.861 -10.299 1.00 0.00 ATOM 174 CG GLN 22 5.052 37.393 -11.686 1.00 0.00 ATOM 175 CD GLN 22 4.786 35.914 -11.898 1.00 0.00 ATOM 176 OE1 GLN 22 4.219 35.241 -11.034 1.00 0.00 ATOM 177 NE2 GLN 22 5.198 35.400 -13.051 1.00 0.00 ATOM 178 O GLN 22 4.772 40.757 -11.945 1.00 0.00 ATOM 179 C GLN 22 4.177 40.208 -11.027 1.00 0.00 ATOM 180 N GLN 23 2.855 40.339 -10.843 1.00 0.00 ATOM 181 CA GLN 23 2.032 41.120 -11.744 1.00 0.00 ATOM 182 CB GLN 23 0.552 40.981 -11.375 1.00 0.00 ATOM 183 CG GLN 23 -0.397 41.670 -12.340 1.00 0.00 ATOM 184 CD GLN 23 -0.205 41.205 -13.771 1.00 0.00 ATOM 185 OE1 GLN 23 -0.096 40.005 -14.041 1.00 0.00 ATOM 186 NE2 GLN 23 -0.158 42.155 -14.699 1.00 0.00 ATOM 187 O GLN 23 2.399 43.223 -12.777 1.00 0.00 ATOM 188 C GLN 23 2.422 42.577 -11.727 1.00 0.00 ATOM 189 N LEU 24 2.742 43.107 -10.556 1.00 0.00 ATOM 190 CA LEU 24 3.010 44.548 -10.445 1.00 0.00 ATOM 191 CB LEU 24 2.503 45.078 -9.098 1.00 0.00 ATOM 192 CG LEU 24 0.992 45.328 -9.021 1.00 0.00 ATOM 193 CD1 LEU 24 0.246 44.003 -8.942 1.00 0.00 ATOM 194 CD2 LEU 24 0.681 46.196 -7.811 1.00 0.00 ATOM 195 O LEU 24 4.838 46.057 -10.594 1.00 0.00 ATOM 196 C LEU 24 4.482 44.876 -10.603 1.00 0.00 ATOM 197 N ASP 25 5.375 43.874 -10.740 1.00 0.00 ATOM 198 CA ASP 25 6.822 44.156 -10.851 1.00 0.00 ATOM 199 CB ASP 25 7.103 45.060 -12.054 1.00 0.00 ATOM 200 CG ASP 25 6.769 44.436 -13.402 1.00 0.00 ATOM 201 OD1 ASP 25 7.216 43.341 -13.654 1.00 0.00 ATOM 202 OD2 ASP 25 5.950 44.982 -14.101 1.00 0.00 ATOM 203 O ASP 25 8.191 45.710 -9.618 1.00 0.00 ATOM 204 C ASP 25 7.362 44.797 -9.584 1.00 0.00 ATOM 205 N VAL 26 6.865 44.339 -8.428 1.00 0.00 ATOM 206 CA VAL 26 7.290 44.874 -7.141 1.00 0.00 ATOM 207 CB VAL 26 6.094 45.393 -6.321 1.00 0.00 ATOM 208 CG1 VAL 26 6.574 46.050 -5.035 1.00 0.00 ATOM 209 CG2 VAL 26 5.269 46.371 -7.142 1.00 0.00 ATOM 210 O VAL 26 7.627 42.643 -6.371 1.00 0.00 ATOM 211 C VAL 26 8.037 43.815 -6.327 1.00 0.00 ATOM 212 N ASP 27 9.033 44.192 -5.608 1.00 0.00 ATOM 213 CA ASP 27 9.790 43.237 -4.789 1.00 0.00 ATOM 214 CB ASP 27 11.077 43.888 -4.278 1.00 0.00 ATOM 215 CG ASP 27 12.094 44.110 -5.380 1.00 0.00 ATOM 216 OD1 ASP 27 11.906 43.556 -6.483 1.00 0.00 ATOM 217 OD2 ASP 27 13.081 44.838 -5.140 1.00 0.00 ATOM 218 O ASP 27 8.160 43.503 -3.019 1.00 0.00 ATOM 219 C ASP 27 8.976 42.773 -3.593 1.00 0.00 ATOM 220 N PRO 28 9.199 41.505 -3.210 1.00 0.00 ATOM 221 CA PRO 28 8.397 40.868 -2.155 1.00 0.00 ATOM 222 CB PRO 28 9.061 39.522 -1.967 1.00 0.00 ATOM 223 CG PRO 28 9.562 39.198 -3.340 1.00 0.00 ATOM 224 CD PRO 28 10.129 40.510 -3.823 1.00 0.00 ATOM 225 O PRO 28 7.391 41.592 -0.114 1.00 0.00 ATOM 226 C PRO 28 8.401 41.588 -0.812 1.00 0.00 ATOM 227 N ASP 29 9.521 42.214 -0.466 1.00 0.00 ATOM 228 CA ASP 29 9.598 42.923 0.807 1.00 0.00 ATOM 229 CB ASP 29 11.025 43.423 1.045 1.00 0.00 ATOM 230 CG ASP 29 11.983 42.304 1.407 1.00 0.00 ATOM 231 OD1 ASP 29 11.506 41.185 1.694 1.00 0.00 ATOM 232 OD2 ASP 29 13.207 42.544 1.401 1.00 0.00 ATOM 233 O ASP 29 8.363 44.579 2.032 1.00 0.00 ATOM 234 C ASP 29 8.699 44.153 0.923 1.00 0.00 ATOM 235 N ASP 30 8.339 44.715 -0.256 1.00 0.00 ATOM 236 CA ASP 30 7.535 45.941 -0.296 1.00 0.00 ATOM 237 CB ASP 30 7.954 46.818 -1.478 1.00 0.00 ATOM 238 CG ASP 30 9.382 47.343 -1.398 1.00 0.00 ATOM 239 OD1 ASP 30 9.747 47.857 -0.366 1.00 0.00 ATOM 240 OD2 ASP 30 10.139 47.087 -2.302 1.00 0.00 ATOM 241 O ASP 30 5.200 46.501 -0.110 1.00 0.00 ATOM 242 C ASP 30 6.053 45.625 -0.382 1.00 0.00 ATOM 243 N ILE 31 5.707 44.391 -0.725 1.00 0.00 ATOM 244 CA ILE 31 4.285 44.039 -0.842 1.00 0.00 ATOM 245 CB ILE 31 4.063 42.927 -1.881 1.00 0.00 ATOM 246 CG1 ILE 31 4.562 43.374 -3.258 1.00 0.00 ATOM 247 CG2 ILE 31 2.592 42.543 -1.944 1.00 0.00 ATOM 248 CD1 ILE 31 3.800 44.545 -3.833 1.00 0.00 ATOM 249 O ILE 31 3.627 42.420 0.835 1.00 0.00 ATOM 250 C ILE 31 3.788 43.602 0.532 1.00 0.00 ATOM 251 N ASP 32 3.574 44.774 1.287 1.00 0.00 ATOM 252 CA ASP 32 3.074 44.641 2.659 1.00 0.00 ATOM 253 CB ASP 32 3.428 45.882 3.482 1.00 0.00 ATOM 254 CG ASP 32 4.904 46.001 3.836 1.00 0.00 ATOM 255 OD1 ASP 32 5.615 45.039 3.669 1.00 0.00 ATOM 256 OD2 ASP 32 5.340 47.092 4.120 1.00 0.00 ATOM 257 O ASP 32 0.882 44.728 1.632 1.00 0.00 ATOM 258 C ASP 32 1.577 44.418 2.613 1.00 0.00 ATOM 259 N MET 33 1.018 43.873 3.662 1.00 0.00 ATOM 260 CA MET 33 -0.405 43.544 3.637 1.00 0.00 ATOM 261 CB MET 33 -0.787 42.754 4.888 1.00 0.00 ATOM 262 CG MET 33 -0.548 43.494 6.196 1.00 0.00 ATOM 263 SD MET 33 -0.956 42.498 7.643 1.00 0.00 ATOM 264 CE MET 33 -2.727 42.324 7.445 1.00 0.00 ATOM 265 O MET 33 -2.393 44.674 3.000 1.00 0.00 ATOM 266 C MET 33 -1.286 44.769 3.526 1.00 0.00 ATOM 267 N GLU 34 -0.854 45.911 4.059 1.00 0.00 ATOM 268 CA GLU 34 -1.677 47.104 4.003 1.00 0.00 ATOM 269 CB GLU 34 -1.531 47.917 5.290 1.00 0.00 ATOM 270 CG GLU 34 -2.073 47.228 6.535 1.00 0.00 ATOM 271 CD GLU 34 -1.865 48.071 7.761 1.00 0.00 ATOM 272 OE1 GLU 34 -1.361 49.160 7.632 1.00 0.00 ATOM 273 OE2 GLU 34 -2.311 47.675 8.813 1.00 0.00 ATOM 274 O GLU 34 -1.854 49.090 2.655 1.00 0.00 ATOM 275 C GLU 34 -1.320 47.970 2.796 1.00 0.00 ATOM 276 N GLU 35 -0.417 47.407 1.878 1.00 0.00 ATOM 277 CA GLU 35 -0.105 48.198 0.688 1.00 0.00 ATOM 278 CB GLU 35 1.021 47.540 -0.112 1.00 0.00 ATOM 279 CG GLU 35 2.421 47.857 0.396 1.00 0.00 ATOM 280 CD GLU 35 2.634 49.340 0.520 1.00 0.00 ATOM 281 OE1 GLU 35 2.438 50.034 -0.449 1.00 0.00 ATOM 282 OE2 GLU 35 2.884 49.794 1.612 1.00 0.00 ATOM 283 O GLU 35 -2.049 47.469 -0.554 1.00 0.00 ATOM 284 C GLU 35 -1.311 48.410 -0.232 1.00 0.00 ATOM 285 N SER 36 -1.493 49.644 -0.681 1.00 0.00 ATOM 286 CA SER 36 -2.439 49.968 -1.760 1.00 0.00 ATOM 287 CB SER 36 -2.795 51.441 -1.718 1.00 0.00 ATOM 288 OG SER 36 -3.602 51.819 -2.798 1.00 0.00 ATOM 289 O SER 36 -0.951 50.225 -3.586 1.00 0.00 ATOM 290 C SER 36 -1.882 49.606 -3.132 1.00 0.00 ATOM 291 N PHE 37 -2.570 48.686 -3.941 1.00 0.00 ATOM 292 CA PHE 37 -2.187 48.449 -5.319 1.00 0.00 ATOM 293 CB PHE 37 -3.309 47.837 -6.128 1.00 0.00 ATOM 294 CG PHE 37 -3.475 46.355 -5.898 1.00 0.00 ATOM 295 CD1 PHE 37 -2.385 45.561 -5.563 1.00 0.00 ATOM 296 CD2 PHE 37 -4.720 45.755 -6.038 1.00 0.00 ATOM 297 CE1 PHE 37 -2.531 44.198 -5.365 1.00 0.00 ATOM 298 CE2 PHE 37 -4.879 44.384 -5.840 1.00 0.00 ATOM 299 CZ PHE 37 -3.784 43.606 -5.505 1.00 0.00 ATOM 300 O PHE 37 -0.845 49.784 -6.785 1.00 0.00 ATOM 301 C PHE 37 -1.832 49.746 -6.025 1.00 0.00 ATOM 302 N ASP 38 -2.707 50.738 -5.896 1.00 0.00 ATOM 303 CA ASP 38 -2.478 52.010 -6.594 1.00 0.00 ATOM 304 CB ASP 38 -3.632 52.980 -6.335 1.00 0.00 ATOM 305 CG ASP 38 -4.927 52.625 -7.055 1.00 0.00 ATOM 306 OD1 ASP 38 -4.889 51.785 -7.923 1.00 0.00 ATOM 307 OD2 ASP 38 -5.962 53.076 -6.630 1.00 0.00 ATOM 308 O ASP 38 -0.378 53.030 -7.017 1.00 0.00 ATOM 309 C ASP 38 -1.153 52.620 -6.151 1.00 0.00 ATOM 310 N ASN 39 -0.841 52.601 -4.852 1.00 0.00 ATOM 311 CA ASN 39 0.473 53.079 -4.387 1.00 0.00 ATOM 312 CB ASN 39 0.565 53.065 -2.872 1.00 0.00 ATOM 313 CG ASN 39 -0.258 54.132 -2.205 1.00 0.00 ATOM 314 ND2 ASN 39 -0.455 53.974 -0.922 1.00 0.00 ATOM 315 OD1 ASN 39 -0.648 55.125 -2.830 1.00 0.00 ATOM 316 O ASN 39 2.798 52.642 -5.110 1.00 0.00 ATOM 317 C ASN 39 1.616 52.274 -4.976 1.00 0.00 ATOM 318 N TYR 40 1.478 51.224 -6.023 1.00 0.00 ATOM 319 CA TYR 40 2.280 50.516 -7.011 1.00 0.00 ATOM 320 CB TYR 40 2.408 49.013 -6.712 1.00 0.00 ATOM 321 CG TYR 40 3.024 48.833 -5.336 1.00 0.00 ATOM 322 CD1 TYR 40 4.274 49.301 -5.059 1.00 0.00 ATOM 323 CD2 TYR 40 2.338 48.201 -4.303 1.00 0.00 ATOM 324 CE1 TYR 40 4.869 49.152 -3.800 1.00 0.00 ATOM 325 CE2 TYR 40 2.883 48.056 -3.062 1.00 0.00 ATOM 326 CZ TYR 40 4.144 48.551 -2.806 1.00 0.00 ATOM 327 OH TYR 40 4.710 48.394 -1.550 1.00 0.00 ATOM 328 O TYR 40 2.195 50.079 -9.370 1.00 0.00 ATOM 329 C TYR 40 1.840 50.809 -8.431 1.00 0.00 ATOM 330 N ASP 41 1.031 51.868 -8.671 1.00 0.00 ATOM 331 CA ASP 41 0.741 52.383 -9.989 1.00 0.00 ATOM 332 CB ASP 41 2.038 52.710 -10.735 1.00 0.00 ATOM 333 CG ASP 41 2.882 53.795 -10.081 1.00 0.00 ATOM 334 OD1 ASP 41 2.338 54.818 -9.737 1.00 0.00 ATOM 335 OD2 ASP 41 4.025 53.535 -9.788 1.00 0.00 ATOM 336 O ASP 41 -0.056 51.633 -12.075 1.00 0.00 ATOM 337 C ASP 41 -0.083 51.456 -10.853 1.00 0.00 ATOM 338 N LEU 42 -0.797 50.482 -10.291 1.00 0.00 ATOM 339 CA LEU 42 -1.529 49.550 -11.129 1.00 0.00 ATOM 340 CB LEU 42 -2.115 48.418 -10.275 1.00 0.00 ATOM 341 CG LEU 42 -2.902 47.355 -11.053 1.00 0.00 ATOM 342 CD1 LEU 42 -2.694 45.986 -10.421 1.00 0.00 ATOM 343 CD2 LEU 42 -4.378 47.724 -11.067 1.00 0.00 ATOM 344 O LEU 42 -3.507 50.892 -11.305 1.00 0.00 ATOM 345 C LEU 42 -2.633 50.262 -11.899 1.00 0.00 ATOM 346 N ASN 43 -2.632 50.205 -13.289 1.00 0.00 ATOM 347 CA ASN 43 -3.621 50.854 -14.139 1.00 0.00 ATOM 348 CB ASN 43 -2.983 51.438 -15.386 1.00 0.00 ATOM 349 CG ASN 43 -2.443 50.401 -16.331 1.00 0.00 ATOM 350 ND2 ASN 43 -1.655 50.852 -17.273 1.00 0.00 ATOM 351 OD1 ASN 43 -2.677 49.199 -16.165 1.00 0.00 ATOM 352 O ASN 43 -4.745 48.767 -13.926 1.00 0.00 ATOM 353 C ASN 43 -4.721 49.853 -14.496 1.00 0.00 ATOM 354 N SER 44 -5.684 50.280 -15.275 1.00 0.00 ATOM 355 CA SER 44 -6.797 49.381 -15.597 1.00 0.00 ATOM 356 CB SER 44 -7.824 50.105 -16.445 1.00 0.00 ATOM 357 OG SER 44 -8.445 51.147 -15.742 1.00 0.00 ATOM 358 O SER 44 -7.008 47.044 -16.151 1.00 0.00 ATOM 359 C SER 44 -6.383 48.093 -16.324 1.00 0.00 ATOM 360 N SER 45 -5.408 48.196 -17.215 1.00 0.00 ATOM 361 CA SER 45 -4.951 47.019 -17.944 1.00 0.00 ATOM 362 CB SER 45 -3.888 47.410 -18.953 1.00 0.00 ATOM 363 OG SER 45 -4.402 48.225 -19.970 1.00 0.00 ATOM 364 O SER 45 -4.738 44.827 -16.987 1.00 0.00 ATOM 365 C SER 45 -4.441 46.031 -16.903 1.00 0.00 ATOM 366 N LYS 46 -3.652 46.643 -15.924 1.00 0.00 ATOM 367 CA LYS 46 -3.092 45.812 -14.858 1.00 0.00 ATOM 368 CB LYS 46 -1.966 46.581 -14.138 1.00 0.00 ATOM 369 CG LYS 46 -0.684 46.690 -14.943 1.00 0.00 ATOM 370 CD LYS 46 0.341 47.536 -14.220 1.00 0.00 ATOM 371 CE LYS 46 1.640 47.626 -15.004 1.00 0.00 ATOM 372 NZ LYS 46 2.626 48.509 -14.319 1.00 0.00 ATOM 373 O LYS 46 -4.100 44.256 -13.337 1.00 0.00 ATOM 374 C LYS 46 -4.180 45.369 -13.884 1.00 0.00 ATOM 375 N ALA 47 -5.099 46.294 -13.598 1.00 0.00 ATOM 376 CA ALA 47 -6.086 45.904 -12.590 1.00 0.00 ATOM 377 CB ALA 47 -7.022 47.086 -12.286 1.00 0.00 ATOM 378 O ALA 47 -6.986 43.693 -12.338 1.00 0.00 ATOM 379 C ALA 47 -6.883 44.695 -13.078 1.00 0.00 ATOM 380 N LEU 48 -7.333 44.685 -14.333 1.00 0.00 ATOM 381 CA LEU 48 -8.141 43.542 -14.786 1.00 0.00 ATOM 382 CB LEU 48 -8.826 43.872 -16.118 1.00 0.00 ATOM 383 CG LEU 48 -9.928 44.937 -16.039 1.00 0.00 ATOM 384 CD1 LEU 48 -10.403 45.302 -17.439 1.00 0.00 ATOM 385 CD2 LEU 48 -11.082 44.414 -15.197 1.00 0.00 ATOM 386 O LEU 48 -7.710 41.194 -14.539 1.00 0.00 ATOM 387 C LEU 48 -7.290 42.286 -14.925 1.00 0.00 ATOM 388 N ILE 49 -6.074 42.445 -15.455 1.00 0.00 ATOM 389 CA ILE 49 -5.172 41.317 -15.636 1.00 0.00 ATOM 390 CB ILE 49 -3.907 41.724 -16.412 1.00 0.00 ATOM 391 CG1 ILE 49 -4.257 42.071 -17.862 1.00 0.00 ATOM 392 CG2 ILE 49 -2.871 40.611 -16.363 1.00 0.00 ATOM 393 CD1 ILE 49 -3.128 42.727 -18.622 1.00 0.00 ATOM 394 O ILE 49 -4.653 39.474 -14.200 1.00 0.00 ATOM 395 C ILE 49 -4.745 40.694 -14.312 1.00 0.00 ATOM 396 N LEU 50 -4.622 41.501 -13.267 1.00 0.00 ATOM 397 CA LEU 50 -4.257 40.961 -11.960 1.00 0.00 ATOM 398 CB LEU 50 -3.947 42.102 -10.983 1.00 0.00 ATOM 399 CG LEU 50 -3.549 41.660 -9.569 1.00 0.00 ATOM 400 CD1 LEU 50 -2.281 40.819 -9.622 1.00 0.00 ATOM 401 CD2 LEU 50 -3.347 42.886 -8.691 1.00 0.00 ATOM 402 O LEU 50 -5.109 39.084 -10.769 1.00 0.00 ATOM 403 C LEU 50 -5.370 40.080 -11.426 1.00 0.00 ATOM 404 N LEU 51 -6.607 40.599 -11.526 1.00 0.00 ATOM 405 CA LEU 51 -7.778 39.864 -11.084 1.00 0.00 ATOM 406 CB LEU 51 -9.045 40.699 -11.308 1.00 0.00 ATOM 407 CG LEU 51 -9.411 41.651 -10.163 1.00 0.00 ATOM 408 CD1 LEU 51 -8.196 41.891 -9.276 1.00 0.00 ATOM 409 CD2 LEU 51 -9.927 42.962 -10.737 1.00 0.00 ATOM 410 O LEU 51 -8.083 37.488 -11.260 1.00 0.00 ATOM 411 C LEU 51 -7.825 38.539 -11.844 1.00 0.00 ATOM 412 N GLY 52 -7.607 38.584 -13.151 1.00 0.00 ATOM 413 CA GLY 52 -7.620 37.380 -13.966 1.00 0.00 ATOM 414 O GLY 52 -6.812 35.179 -13.493 1.00 0.00 ATOM 415 C GLY 52 -6.560 36.387 -13.536 1.00 0.00 ATOM 416 N ARG 53 -5.317 36.867 -13.293 1.00 0.00 ATOM 417 CA ARG 53 -4.236 35.985 -12.875 1.00 0.00 ATOM 418 CB ARG 53 -2.902 36.712 -12.792 1.00 0.00 ATOM 419 CG ARG 53 -2.374 37.233 -14.119 1.00 0.00 ATOM 420 CD ARG 53 -1.964 36.170 -15.074 1.00 0.00 ATOM 421 NE ARG 53 -1.348 36.664 -16.296 1.00 0.00 ATOM 422 CZ ARG 53 -1.011 35.893 -17.347 1.00 0.00 ATOM 423 NH1 ARG 53 -1.191 34.590 -17.318 1.00 0.00 ATOM 424 NH2 ARG 53 -0.471 36.477 -18.402 1.00 0.00 ATOM 425 O ARG 53 -4.337 34.088 -11.427 1.00 0.00 ATOM 426 C ARG 53 -4.568 35.286 -11.571 1.00 0.00 ATOM 427 N LEU 54 -5.116 36.053 -10.604 1.00 0.00 ATOM 428 CA LEU 54 -5.470 35.470 -9.308 1.00 0.00 ATOM 429 CB LEU 54 -5.903 36.572 -8.333 1.00 0.00 ATOM 430 CG LEU 54 -6.500 36.075 -7.010 1.00 0.00 ATOM 431 CD1 LEU 54 -5.544 35.098 -6.340 1.00 0.00 ATOM 432 CD2 LEU 54 -6.784 37.262 -6.101 1.00 0.00 ATOM 433 O LEU 54 -6.647 33.449 -8.790 1.00 0.00 ATOM 434 C LEU 54 -6.566 34.445 -9.511 1.00 0.00 ATOM 435 N GLU 55 -7.585 34.780 -10.329 1.00 0.00 ATOM 436 CA GLU 55 -8.700 33.835 -10.530 1.00 0.00 ATOM 437 CB GLU 55 -9.754 34.440 -11.460 1.00 0.00 ATOM 438 CG GLU 55 -10.555 35.578 -10.845 1.00 0.00 ATOM 439 CD GLU 55 -11.482 36.199 -11.852 1.00 0.00 ATOM 440 OE1 GLU 55 -11.440 35.806 -12.993 1.00 0.00 ATOM 441 OE2 GLU 55 -12.311 36.988 -11.461 1.00 0.00 ATOM 442 O GLU 55 -8.612 31.469 -10.643 1.00 0.00 ATOM 443 C GLU 55 -8.187 32.558 -11.078 1.00 0.00 ATOM 444 N LYS 56 -7.262 32.666 -12.023 1.00 0.00 ATOM 445 CA LYS 56 -6.719 31.474 -12.628 1.00 0.00 ATOM 446 CB LYS 56 -5.844 31.828 -13.832 1.00 0.00 ATOM 447 CG LYS 56 -6.618 32.374 -15.022 1.00 0.00 ATOM 448 CD LYS 56 -5.692 32.698 -16.182 1.00 0.00 ATOM 449 CE LYS 56 -6.462 33.275 -17.358 1.00 0.00 ATOM 450 NZ LYS 56 -5.562 33.621 -18.493 1.00 0.00 ATOM 451 O LYS 56 -5.971 29.426 -11.571 1.00 0.00 ATOM 452 C LYS 56 -5.930 30.658 -11.606 1.00 0.00 ATOM 453 N TRP 57 -5.074 31.287 -10.829 1.00 0.00 ATOM 454 CA TRP 57 -4.255 30.587 -9.827 1.00 0.00 ATOM 455 CB TRP 57 -3.334 31.574 -9.107 1.00 0.00 ATOM 456 CG TRP 57 -2.188 32.047 -9.951 1.00 0.00 ATOM 457 CD1 TRP 57 -2.025 33.291 -10.480 1.00 0.00 ATOM 458 CD2 TRP 57 -1.048 31.281 -10.363 1.00 0.00 ATOM 459 CE2 TRP 57 -0.236 32.128 -11.138 1.00 0.00 ATOM 460 CE3 TRP 57 -0.636 29.961 -10.148 1.00 0.00 ATOM 461 NE1 TRP 57 -0.854 33.352 -11.196 1.00 0.00 ATOM 462 CZ2 TRP 57 0.957 31.703 -11.699 1.00 0.00 ATOM 463 CZ3 TRP 57 0.561 29.534 -10.710 1.00 0.00 ATOM 464 CH2 TRP 57 1.336 30.380 -11.463 1.00 0.00 ATOM 465 O TRP 57 -4.707 28.700 -8.475 1.00 0.00 ATOM 466 C TRP 57 -5.087 29.838 -8.788 1.00 0.00 ATOM 467 N LEU 58 -6.209 30.431 -8.369 1.00 0.00 ATOM 468 CA LEU 58 -6.972 29.913 -7.231 1.00 0.00 ATOM 469 CB LEU 58 -7.185 31.017 -6.189 1.00 0.00 ATOM 470 CG LEU 58 -6.206 30.999 -5.008 1.00 0.00 ATOM 471 CD1 LEU 58 -4.836 31.489 -5.460 1.00 0.00 ATOM 472 CD2 LEU 58 -6.747 31.870 -3.885 1.00 0.00 ATOM 473 O LEU 58 -8.833 28.523 -6.896 1.00 0.00 ATOM 474 C LEU 58 -8.315 29.337 -7.652 1.00 0.00 ATOM 475 N GLY 59 -8.655 29.454 -8.932 1.00 0.00 ATOM 476 CA GLY 59 -9.825 28.805 -9.494 1.00 0.00 ATOM 477 O GLY 59 -11.969 28.752 -8.365 1.00 0.00 ATOM 478 C GLY 59 -11.035 29.428 -8.812 1.00 0.00 ATOM 479 N LYS 60 -11.032 30.867 -8.709 1.00 0.00 ATOM 480 CA LYS 60 -12.129 31.575 -8.086 1.00 0.00 ATOM 481 CB LYS 60 -11.783 31.932 -6.639 1.00 0.00 ATOM 482 CG LYS 60 -11.604 30.730 -5.722 1.00 0.00 ATOM 483 CD LYS 60 -11.337 31.164 -4.288 1.00 0.00 ATOM 484 CE LYS 60 -11.206 29.965 -3.361 1.00 0.00 ATOM 485 NZ LYS 60 -10.003 29.147 -3.673 1.00 0.00 ATOM 486 O LYS 60 -11.565 33.269 -9.734 1.00 0.00 ATOM 487 C LYS 60 -12.421 32.822 -8.928 1.00 0.00 ATOM 488 N GLU 61 -13.659 33.482 -8.746 1.00 0.00 ATOM 489 CA GLU 61 -13.950 34.781 -9.309 1.00 0.00 ATOM 490 CB GLU 61 -15.395 34.836 -9.807 1.00 0.00 ATOM 491 CG GLU 61 -15.703 33.880 -10.951 1.00 0.00 ATOM 492 CD GLU 61 -17.135 34.002 -11.394 1.00 0.00 ATOM 493 OE1 GLU 61 -17.864 34.747 -10.786 1.00 0.00 ATOM 494 OE2 GLU 61 -17.472 33.437 -12.408 1.00 0.00 ATOM 495 O GLU 61 -14.085 35.739 -7.128 1.00 0.00 ATOM 496 C GLU 61 -13.707 35.884 -8.304 1.00 0.00 ATOM 497 N LEU 62 -13.185 37.003 -8.760 1.00 0.00 ATOM 498 CA LEU 62 -13.068 38.198 -7.940 1.00 0.00 ATOM 499 CB LEU 62 -11.592 38.567 -7.749 1.00 0.00 ATOM 500 CG LEU 62 -10.853 37.765 -6.671 1.00 0.00 ATOM 501 CD1 LEU 62 -11.586 37.878 -5.341 1.00 0.00 ATOM 502 CD2 LEU 62 -10.741 36.311 -7.104 1.00 0.00 ATOM 503 O LEU 62 -13.482 39.659 -9.772 1.00 0.00 ATOM 504 C LEU 62 -13.867 39.275 -8.659 1.00 0.00 ATOM 505 N ASN 63 -15.070 40.182 -8.414 1.00 0.00 ATOM 506 CA ASN 63 -15.569 41.152 -9.373 1.00 0.00 ATOM 507 CB ASN 63 -16.933 41.689 -8.932 1.00 0.00 ATOM 508 CG ASN 63 -18.031 40.651 -9.044 1.00 0.00 ATOM 509 ND2 ASN 63 -19.101 40.838 -8.279 1.00 0.00 ATOM 510 OD1 ASN 63 -17.919 39.695 -9.811 1.00 0.00 ATOM 511 O ASN 63 -14.154 42.828 -8.495 1.00 0.00 ATOM 512 C ASN 63 -14.622 42.323 -9.502 1.00 0.00 ATOM 513 N PRO 64 -14.415 42.827 -10.730 1.00 0.00 ATOM 514 CA PRO 64 -13.443 43.935 -10.851 1.00 0.00 ATOM 515 CB PRO 64 -13.419 44.244 -12.348 1.00 0.00 ATOM 516 CG PRO 64 -13.815 42.961 -13.001 1.00 0.00 ATOM 517 CD PRO 64 -14.849 42.341 -12.104 1.00 0.00 ATOM 518 O PRO 64 -12.905 45.901 -9.593 1.00 0.00 ATOM 519 C PRO 64 -13.790 45.199 -10.077 1.00 0.00 ATOM 520 N VAL 65 -15.066 45.588 -10.068 1.00 0.00 ATOM 521 CA VAL 65 -15.495 46.773 -9.339 1.00 0.00 ATOM 522 CB VAL 65 -17.002 47.033 -9.519 1.00 0.00 ATOM 523 CG1 VAL 65 -17.465 48.149 -8.596 1.00 0.00 ATOM 524 CG2 VAL 65 -17.314 47.378 -10.967 1.00 0.00 ATOM 525 O VAL 65 -14.765 47.712 -7.268 1.00 0.00 ATOM 526 C VAL 65 -15.220 46.725 -7.841 1.00 0.00 ATOM 527 N LEU 66 -15.486 45.580 -7.227 1.00 0.00 ATOM 528 CA LEU 66 -15.142 45.373 -5.825 1.00 0.00 ATOM 529 CB LEU 66 -15.646 44.004 -5.351 1.00 0.00 ATOM 530 CG LEU 66 -17.171 43.871 -5.246 1.00 0.00 ATOM 531 CD1 LEU 66 -17.549 42.428 -4.942 1.00 0.00 ATOM 532 CD2 LEU 66 -17.689 44.804 -4.162 1.00 0.00 ATOM 533 O LEU 66 -13.217 46.181 -4.659 1.00 0.00 ATOM 534 C LEU 66 -13.619 45.490 -5.593 1.00 0.00 ATOM 535 N ILE 67 -12.801 45.056 -6.457 1.00 0.00 ATOM 536 CA ILE 67 -11.353 45.237 -6.307 1.00 0.00 ATOM 537 CB ILE 67 -10.571 44.446 -7.371 1.00 0.00 ATOM 538 CG1 ILE 67 -10.688 42.942 -7.110 1.00 0.00 ATOM 539 CG2 ILE 67 -9.112 44.875 -7.388 1.00 0.00 ATOM 540 CD1 ILE 67 -9.932 42.474 -5.887 1.00 0.00 ATOM 541 O ILE 67 -10.014 47.098 -5.608 1.00 0.00 ATOM 542 C ILE 67 -10.896 46.684 -6.388 1.00 0.00 ATOM 543 N PHE 68 -11.479 47.417 -7.353 1.00 0.00 ATOM 544 CA PHE 68 -11.177 48.809 -7.507 1.00 0.00 ATOM 545 CB PHE 68 -11.797 49.326 -8.852 1.00 0.00 ATOM 546 CG PHE 68 -11.470 48.589 -10.140 1.00 0.00 ATOM 547 CD1 PHE 68 -10.481 47.633 -10.257 1.00 0.00 ATOM 548 CD2 PHE 68 -12.256 48.935 -11.275 1.00 0.00 ATOM 549 CE1 PHE 68 -10.295 47.037 -11.517 1.00 0.00 ATOM 550 CE2 PHE 68 -12.030 48.327 -12.493 1.00 0.00 ATOM 551 CZ PHE 68 -11.025 47.394 -12.636 1.00 0.00 ATOM 552 O PHE 68 -10.892 50.599 -5.963 1.00 0.00 ATOM 553 C PHE 68 -11.545 49.606 -6.261 1.00 0.00 ATOM 554 N ASN 69 -12.679 49.281 -5.664 1.00 0.00 ATOM 555 CA ASN 69 -13.175 50.020 -4.499 1.00 0.00 ATOM 556 CB ASN 69 -14.692 50.078 -4.482 1.00 0.00 ATOM 557 CG ASN 69 -15.276 50.946 -5.562 1.00 0.00 ATOM 558 ND2 ASN 69 -16.512 50.674 -5.898 1.00 0.00 ATOM 559 OD1 ASN 69 -14.642 51.897 -6.033 1.00 0.00 ATOM 560 O ASN 69 -12.999 49.992 -2.074 1.00 0.00 ATOM 561 C ASN 69 -12.700 49.475 -3.145 1.00 0.00 ATOM 562 N TYR 70 -11.778 48.432 -3.198 1.00 0.00 ATOM 563 CA TYR 70 -11.077 47.825 -2.065 1.00 0.00 ATOM 564 CB TYR 70 -11.825 46.582 -1.577 1.00 0.00 ATOM 565 CG TYR 70 -13.221 46.866 -1.070 1.00 0.00 ATOM 566 CD1 TYR 70 -14.328 46.655 -1.878 1.00 0.00 ATOM 567 CD2 TYR 70 -13.427 47.340 0.216 1.00 0.00 ATOM 568 CE1 TYR 70 -15.607 46.913 -1.419 1.00 0.00 ATOM 569 CE2 TYR 70 -14.700 47.601 0.686 1.00 0.00 ATOM 570 CZ TYR 70 -15.788 47.386 -0.136 1.00 0.00 ATOM 571 OH TYR 70 -17.058 47.644 0.327 1.00 0.00 ATOM 572 O TYR 70 -9.341 46.360 -2.883 1.00 0.00 ATOM 573 C TYR 70 -9.662 47.500 -2.532 1.00 0.00 ATOM 574 N PRO 71 -8.791 48.502 -2.571 1.00 0.00 ATOM 575 CA PRO 71 -7.413 48.293 -3.038 1.00 0.00 ATOM 576 CB PRO 71 -6.839 49.739 -2.964 1.00 0.00 ATOM 577 CG PRO 71 -8.046 50.598 -3.157 1.00 0.00 ATOM 578 CD PRO 71 -9.064 49.892 -2.276 1.00 0.00 ATOM 579 O PRO 71 -5.597 46.816 -2.855 1.00 0.00 ATOM 580 C PRO 71 -6.620 47.230 -2.305 1.00 0.00 ATOM 581 N THR 72 -6.868 46.868 -0.782 1.00 0.00 ATOM 582 CA THR 72 -5.645 46.596 0.001 1.00 0.00 ATOM 583 CB THR 72 -5.808 47.025 1.470 1.00 0.00 ATOM 584 CG2 THR 72 -6.154 48.503 1.560 1.00 0.00 ATOM 585 OG1 THR 72 -6.852 46.256 2.083 1.00 0.00 ATOM 586 O THR 72 -6.287 44.298 -0.326 1.00 0.00 ATOM 587 C THR 72 -5.385 45.109 -0.125 1.00 0.00 ATOM 588 N ILE 73 -4.122 44.780 0.152 1.00 0.00 ATOM 589 CA ILE 73 -3.716 43.361 0.165 1.00 0.00 ATOM 590 CB ILE 73 -2.190 43.212 0.297 1.00 0.00 ATOM 591 CG1 ILE 73 -1.513 43.427 -1.060 1.00 0.00 ATOM 592 CG2 ILE 73 -1.836 41.844 0.860 1.00 0.00 ATOM 593 CD1 ILE 73 -1.252 44.879 -1.388 1.00 0.00 ATOM 594 O ILE 73 -4.786 41.460 1.108 1.00 0.00 ATOM 595 C ILE 73 -4.391 42.626 1.295 1.00 0.00 ATOM 596 N ALA 74 -4.440 43.200 2.505 1.00 0.00 ATOM 597 CA ALA 74 -5.051 42.466 3.615 1.00 0.00 ATOM 598 CB ALA 74 -5.007 43.283 4.914 1.00 0.00 ATOM 599 O ALA 74 -6.993 41.043 3.561 1.00 0.00 ATOM 600 C ALA 74 -6.511 42.148 3.325 1.00 0.00 ATOM 601 N GLN 75 -7.261 43.170 2.833 1.00 0.00 ATOM 602 CA GLN 75 -8.663 42.931 2.544 1.00 0.00 ATOM 603 CB GLN 75 -9.350 44.230 2.115 1.00 0.00 ATOM 604 CG GLN 75 -9.464 45.268 3.219 1.00 0.00 ATOM 605 CD GLN 75 -10.291 44.778 4.392 1.00 0.00 ATOM 606 OE1 GLN 75 -11.363 44.192 4.212 1.00 0.00 ATOM 607 NE2 GLN 75 -9.800 45.017 5.602 1.00 0.00 ATOM 608 O GLN 75 -9.754 41.050 1.477 1.00 0.00 ATOM 609 C GLN 75 -8.830 41.873 1.451 1.00 0.00 ATOM 610 N LEU 76 -7.951 41.893 0.443 1.00 0.00 ATOM 611 CA LEU 76 -8.000 40.878 -0.614 1.00 0.00 ATOM 612 CB LEU 76 -6.962 41.193 -1.699 1.00 0.00 ATOM 613 CG LEU 76 -7.507 41.929 -2.931 1.00 0.00 ATOM 614 CD1 LEU 76 -8.552 42.952 -2.506 1.00 0.00 ATOM 615 CD2 LEU 76 -6.361 42.603 -3.669 1.00 0.00 ATOM 616 O LEU 76 -8.434 38.521 -0.486 1.00 0.00 ATOM 617 C LEU 76 -7.772 39.472 -0.069 1.00 0.00 ATOM 618 N ALA 77 -6.772 39.331 0.793 1.00 0.00 ATOM 619 CA ALA 77 -6.459 38.025 1.369 1.00 0.00 ATOM 620 CB ALA 77 -5.200 38.113 2.207 1.00 0.00 ATOM 621 O ALA 77 -8.011 36.339 2.103 1.00 0.00 ATOM 622 C ALA 77 -7.658 37.521 2.183 1.00 0.00 ATOM 623 N LYS 78 -8.248 38.389 2.974 1.00 0.00 ATOM 624 CA LYS 78 -9.433 37.992 3.754 1.00 0.00 ATOM 625 CB LYS 78 -9.870 39.129 4.679 1.00 0.00 ATOM 626 CG LYS 78 -11.063 38.794 5.566 1.00 0.00 ATOM 627 CD LYS 78 -11.387 39.940 6.512 1.00 0.00 ATOM 628 CE LYS 78 -12.589 39.613 7.387 1.00 0.00 ATOM 629 NZ LYS 78 -12.925 40.729 8.312 1.00 0.00 ATOM 630 O LYS 78 -11.254 36.584 3.087 1.00 0.00 ATOM 631 C LYS 78 -10.583 37.586 2.839 1.00 0.00 ATOM 632 N ARG 79 -10.714 38.303 1.728 1.00 0.00 ATOM 633 CA ARG 79 -11.766 38.011 0.768 1.00 0.00 ATOM 634 CB ARG 79 -11.895 39.097 -0.290 1.00 0.00 ATOM 635 CG ARG 79 -13.060 38.917 -1.250 1.00 0.00 ATOM 636 CD ARG 79 -13.175 39.984 -2.279 1.00 0.00 ATOM 637 NE ARG 79 -13.464 41.305 -1.745 1.00 0.00 ATOM 638 CZ ARG 79 -14.691 41.738 -1.396 1.00 0.00 ATOM 639 NH1 ARG 79 -15.749 40.976 -1.555 1.00 0.00 ATOM 640 NH2 ARG 79 -14.805 42.962 -0.910 1.00 0.00 ATOM 641 O ARG 79 -12.463 35.839 0.022 1.00 0.00 ATOM 642 C ARG 79 -11.531 36.631 0.161 1.00 0.00 ATOM 643 N LEU 80 -10.295 36.369 -0.236 1.00 0.00 ATOM 644 CA LEU 80 -9.974 35.075 -0.830 1.00 0.00 ATOM 645 CB LEU 80 -8.529 35.073 -1.345 1.00 0.00 ATOM 646 CG LEU 80 -8.351 35.555 -2.790 1.00 0.00 ATOM 647 CD1 LEU 80 -9.481 35.024 -3.662 1.00 0.00 ATOM 648 CD2 LEU 80 -8.317 37.076 -2.819 1.00 0.00 ATOM 649 O LEU 80 -10.662 32.861 -0.181 1.00 0.00 ATOM 650 C LEU 80 -10.186 33.952 0.174 1.00 0.00 ATOM 651 N GLY 81 -9.824 34.169 1.434 1.00 0.00 ATOM 652 CA GLY 81 -10.002 33.164 2.466 1.00 0.00 ATOM 653 O GLY 81 -11.881 31.673 2.772 1.00 0.00 ATOM 654 C GLY 81 -11.482 32.834 2.652 1.00 0.00 ATOM 655 N GLU 82 -12.321 33.887 2.666 1.00 0.00 ATOM 656 CA GLU 82 -13.762 33.719 2.802 1.00 0.00 ATOM 657 CB GLU 82 -14.455 35.080 2.890 1.00 0.00 ATOM 658 CG GLU 82 -14.205 35.830 4.191 1.00 0.00 ATOM 659 CD GLU 82 -14.802 37.208 4.151 1.00 0.00 ATOM 660 OE1 GLU 82 -15.318 37.582 3.125 1.00 0.00 ATOM 661 OE2 GLU 82 -14.846 37.845 5.177 1.00 0.00 ATOM 662 O GLU 82 -15.265 32.073 1.810 1.00 0.00 ATOM 663 C GLU 82 -14.359 32.907 1.636 1.00 0.00 ATOM 664 N LEU 83 -13.973 33.269 0.422 1.00 0.00 ATOM 665 CA LEU 83 -14.462 32.540 -0.742 1.00 0.00 ATOM 666 CB LEU 83 -13.921 33.184 -2.022 1.00 0.00 ATOM 667 CG LEU 83 -14.436 34.588 -2.345 1.00 0.00 ATOM 668 CD1 LEU 83 -13.697 35.169 -3.541 1.00 0.00 ATOM 669 CD2 LEU 83 -15.920 34.552 -2.675 1.00 0.00 ATOM 670 O LEU 83 -14.864 30.175 -0.815 1.00 0.00 ATOM 671 C LEU 83 -14.047 31.079 -0.639 1.00 0.00 ATOM 672 N TYR 84 -12.807 30.824 -0.204 1.00 0.00 ATOM 673 CA TYR 84 -12.319 29.459 -0.087 1.00 0.00 ATOM 674 CB TYR 84 -10.821 29.451 0.227 1.00 0.00 ATOM 675 CG TYR 84 -10.282 28.089 0.605 1.00 0.00 ATOM 676 CD1 TYR 84 -9.809 27.215 -0.364 1.00 0.00 ATOM 677 CD2 TYR 84 -10.246 27.682 1.931 1.00 0.00 ATOM 678 CE1 TYR 84 -9.315 25.970 -0.023 1.00 0.00 ATOM 679 CE2 TYR 84 -9.753 26.440 2.282 1.00 0.00 ATOM 680 CZ TYR 84 -9.289 25.587 1.302 1.00 0.00 ATOM 681 OH TYR 84 -8.798 24.349 1.647 1.00 0.00 ATOM 682 O TYR 84 -13.598 27.611 0.702 1.00 0.00 ATOM 683 C TYR 84 -13.080 28.691 0.984 1.00 0.00 ATOM 684 N LEU 85 -13.438 29.377 2.059 1.00 0.00 ATOM 685 CA LEU 85 -14.186 28.745 3.133 1.00 0.00 ATOM 686 CB LEU 85 -14.129 29.569 4.389 1.00 0.00 ATOM 687 CG LEU 85 -12.751 29.689 5.042 1.00 0.00 ATOM 688 CD1 LEU 85 -12.870 30.722 6.162 1.00 0.00 ATOM 689 CD2 LEU 85 -12.217 28.394 5.609 1.00 0.00 ATOM 690 O LEU 85 -16.229 29.431 2.074 1.00 0.00 ATOM 691 C LEU 85 -15.617 28.529 2.648 1.00 0.00 TER END