PFRMAT TS TARGET T0242 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is try1-opt2, the result of a fully automatic prediction. REMARK 6 REMARK 6 T0242 model 5 Mon Aug 23 11:28:23 2004 MODEL 5 PARENT 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A REMARK 7 REMARK 7 ALLPARENTS 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A 1in8_A 1j7k_A REMARK 7 ALLPARENTS 1n3y_A 1g2y_A 1otr_B 1fxl_A 1sjy_A 1kgd_A 1uqr_A REMARK 7 ALLPARENTS 1byw_A 1nww_A 1ojq_A 1h9m_A 1h6t_A 1s96_A 1fm0_E REMARK 7 ALLPARENTS 1hh1_A ATOM 1 N MET 1 9.957 4.076 2.595 1.00 0.00 ATOM 2 CA MET 1 10.117 4.894 1.345 1.00 0.00 ATOM 3 CB MET 1 10.069 6.388 1.674 1.00 0.00 ATOM 4 CG MET 1 11.235 6.877 2.517 1.00 0.00 ATOM 5 SD MET 1 11.198 8.658 2.789 1.00 0.00 ATOM 6 CE MET 1 9.845 8.796 3.954 1.00 0.00 ATOM 7 O MET 1 12.405 4.152 1.307 1.00 0.00 ATOM 8 C MET 1 11.455 4.595 0.670 1.00 0.00 ATOM 9 N GLY 2 11.529 4.913 -0.616 1.00 0.00 ATOM 10 CA GLY 2 12.755 4.693 -1.357 1.00 0.00 ATOM 11 O GLY 2 14.977 5.495 -0.995 1.00 0.00 ATOM 12 C GLY 2 13.782 5.758 -1.017 1.00 0.00 ATOM 13 N LYS 3 13.338 6.983 -0.792 1.00 0.00 ATOM 14 CA LYS 3 14.243 8.075 -0.444 1.00 0.00 ATOM 15 CB LYS 3 13.457 9.363 -0.187 1.00 0.00 ATOM 16 CG LYS 3 14.327 10.580 0.076 1.00 0.00 ATOM 17 CD LYS 3 13.485 11.834 0.245 1.00 0.00 ATOM 18 CE LYS 3 14.357 13.051 0.511 1.00 0.00 ATOM 19 NZ LYS 3 13.546 14.290 0.671 1.00 0.00 ATOM 20 O LYS 3 16.305 7.804 0.761 1.00 0.00 ATOM 21 C LYS 3 15.070 7.801 0.813 1.00 0.00 ATOM 22 N VAL 4 14.177 7.546 1.855 1.00 0.00 ATOM 23 CA VAL 4 14.737 7.260 3.168 1.00 0.00 ATOM 24 CB VAL 4 14.253 8.277 4.219 1.00 0.00 ATOM 25 CG1 VAL 4 14.812 7.931 5.591 1.00 0.00 ATOM 26 CG2 VAL 4 14.714 9.680 3.855 1.00 0.00 ATOM 27 O VAL 4 13.081 5.492 3.281 1.00 0.00 ATOM 28 C VAL 4 14.232 5.858 3.540 1.00 0.00 ATOM 29 N PHE 5 15.143 5.053 4.109 1.00 0.00 ATOM 30 CA PHE 5 14.784 3.741 4.647 1.00 0.00 ATOM 31 CB PHE 5 15.763 2.726 4.055 1.00 0.00 ATOM 32 CG PHE 5 15.644 2.567 2.565 1.00 0.00 ATOM 33 CD1 PHE 5 16.431 3.316 1.709 1.00 0.00 ATOM 34 CD2 PHE 5 14.745 1.668 2.021 1.00 0.00 ATOM 35 CE1 PHE 5 16.322 3.170 0.339 1.00 0.00 ATOM 36 CE2 PHE 5 14.635 1.520 0.651 1.00 0.00 ATOM 37 CZ PHE 5 15.419 2.267 -0.190 1.00 0.00 ATOM 38 O PHE 5 16.015 4.095 6.663 1.00 0.00 ATOM 39 C PHE 5 14.939 3.782 6.166 1.00 0.00 ATOM 40 N LEU 6 13.907 3.399 6.875 1.00 0.00 ATOM 41 CA LEU 6 13.941 3.393 8.338 1.00 0.00 ATOM 42 CB LEU 6 12.822 4.273 8.916 1.00 0.00 ATOM 43 CG LEU 6 12.688 4.293 10.455 1.00 0.00 ATOM 44 CD1 LEU 6 13.947 4.862 11.100 1.00 0.00 ATOM 45 CD2 LEU 6 11.490 5.133 10.855 1.00 0.00 ATOM 46 O LEU 6 12.802 1.297 8.373 1.00 0.00 ATOM 47 C LEU 6 13.773 1.944 8.757 1.00 0.00 ATOM 48 N THR 7 14.713 1.401 9.531 1.00 0.00 ATOM 49 CA THR 7 14.628 0.043 9.991 1.00 0.00 ATOM 50 CB THR 7 15.732 -0.836 9.314 1.00 0.00 ATOM 51 CG2 THR 7 15.610 -2.293 9.698 1.00 0.00 ATOM 52 OG1 THR 7 15.666 -0.703 7.889 1.00 0.00 ATOM 53 O THR 7 15.598 0.431 12.116 1.00 0.00 ATOM 54 C THR 7 14.712 -0.117 11.491 1.00 0.00 ATOM 55 N ASN 8 13.754 -0.858 12.063 1.00 0.00 ATOM 56 CA ASN 8 13.776 -1.173 13.485 1.00 0.00 ATOM 57 CB ASN 8 12.468 -1.846 13.906 1.00 0.00 ATOM 58 CG ASN 8 11.295 -0.886 13.910 1.00 0.00 ATOM 59 ND2 ASN 8 10.085 -1.433 13.890 1.00 0.00 ATOM 60 OD1 ASN 8 11.476 0.332 13.932 1.00 0.00 ATOM 61 O ASN 8 15.428 -2.815 12.913 1.00 0.00 ATOM 62 C ASN 8 14.928 -2.117 13.796 1.00 0.00 ATOM 63 N ALA 9 15.437 -1.961 15.082 1.00 0.00 ATOM 64 CA ALA 9 16.526 -2.811 15.532 1.00 0.00 ATOM 65 CB ALA 9 16.857 -2.505 17.002 1.00 0.00 ATOM 66 O ALA 9 17.025 -5.049 14.805 1.00 0.00 ATOM 67 C ALA 9 16.182 -4.271 15.290 1.00 0.00 ATOM 68 N PHE 10 14.955 -4.677 15.645 1.00 0.00 ATOM 69 CA PHE 10 14.557 -6.055 15.458 1.00 0.00 ATOM 70 CB PHE 10 13.118 -6.196 15.962 1.00 0.00 ATOM 71 CG PHE 10 12.515 -7.548 15.705 1.00 0.00 ATOM 72 CD1 PHE 10 12.818 -8.623 16.522 1.00 0.00 ATOM 73 CD2 PHE 10 11.646 -7.744 14.647 1.00 0.00 ATOM 74 CE1 PHE 10 12.264 -9.866 16.286 1.00 0.00 ATOM 75 CE2 PHE 10 11.092 -8.988 14.409 1.00 0.00 ATOM 76 CZ PHE 10 11.396 -10.046 15.224 1.00 0.00 ATOM 77 O PHE 10 15.078 -7.444 13.577 1.00 0.00 ATOM 78 C PHE 10 14.560 -6.409 13.974 1.00 0.00 ATOM 79 N SER 11 14.009 -5.535 13.144 1.00 0.00 ATOM 80 CA SER 11 13.901 -5.872 11.736 1.00 0.00 ATOM 81 CB SER 11 12.834 -4.952 11.063 1.00 0.00 ATOM 82 OG SER 11 13.257 -3.602 11.020 1.00 0.00 ATOM 83 O SER 11 15.445 -6.676 10.064 1.00 0.00 ATOM 84 C SER 11 15.241 -5.880 10.997 1.00 0.00 ATOM 85 N ILE 12 16.182 -5.073 11.486 1.00 0.00 ATOM 86 CA ILE 12 17.516 -5.046 10.897 1.00 0.00 ATOM 87 CB ILE 12 18.398 -3.962 11.546 1.00 0.00 ATOM 88 CG1 ILE 12 17.787 -2.576 11.327 1.00 0.00 ATOM 89 CG2 ILE 12 19.792 -3.976 10.939 1.00 0.00 ATOM 90 CD1 ILE 12 18.474 -1.477 12.106 1.00 0.00 ATOM 91 O ILE 12 18.650 -7.117 10.227 1.00 0.00 ATOM 92 C ILE 12 18.032 -6.489 11.114 1.00 0.00 ATOM 93 N ASN 13 17.836 -6.981 12.428 1.00 0.00 ATOM 94 CA ASN 13 18.334 -8.294 12.826 1.00 0.00 ATOM 95 CB ASN 13 17.965 -8.723 14.248 1.00 0.00 ATOM 96 CG ASN 13 18.641 -7.873 15.307 1.00 0.00 ATOM 97 ND2 ASN 13 18.090 -7.888 16.515 1.00 0.00 ATOM 98 OD1 ASN 13 19.644 -7.213 15.038 1.00 0.00 ATOM 99 O ASN 13 18.666 -10.226 11.444 1.00 0.00 ATOM 100 C ASN 13 17.881 -9.373 11.858 1.00 0.00 ATOM 101 N MET 14 16.590 -9.337 11.484 1.00 0.00 ATOM 102 CA MET 14 16.049 -10.316 10.559 1.00 0.00 ATOM 103 CB MET 14 14.540 -10.104 10.411 1.00 0.00 ATOM 104 CG MET 14 13.734 -10.502 11.638 1.00 0.00 ATOM 105 SD MET 14 13.901 -12.249 12.043 1.00 0.00 ATOM 106 CE MET 14 13.037 -13.001 10.668 1.00 0.00 ATOM 107 O MET 14 16.996 -11.115 8.495 1.00 0.00 ATOM 108 C MET 14 16.699 -10.135 9.186 1.00 0.00 ATOM 109 N LEU 15 16.910 -8.880 8.794 1.00 0.00 ATOM 110 CA LEU 15 17.550 -8.591 7.514 1.00 0.00 ATOM 111 CB LEU 15 17.597 -7.096 7.232 1.00 0.00 ATOM 112 CG LEU 15 16.220 -6.464 6.976 1.00 0.00 ATOM 113 CD1 LEU 15 16.324 -4.944 6.930 1.00 0.00 ATOM 114 CD2 LEU 15 15.632 -7.011 5.681 1.00 0.00 ATOM 115 O LEU 15 19.391 -9.746 6.494 1.00 0.00 ATOM 116 C LEU 15 18.967 -9.156 7.489 1.00 0.00 ATOM 117 N LYS 16 19.706 -8.974 8.581 1.00 0.00 ATOM 118 CA LYS 16 21.067 -9.492 8.661 1.00 0.00 ATOM 119 CB LYS 16 21.739 -9.072 9.970 1.00 0.00 ATOM 120 CG LYS 16 22.056 -7.589 10.058 1.00 0.00 ATOM 121 CD LYS 16 22.716 -7.243 11.383 1.00 0.00 ATOM 122 CE LYS 16 23.034 -5.759 11.472 1.00 0.00 ATOM 123 NZ LYS 16 23.654 -5.400 12.777 1.00 0.00 ATOM 124 O LYS 16 22.008 -11.605 8.032 1.00 0.00 ATOM 125 C LYS 16 21.080 -11.020 8.586 1.00 0.00 ATOM 126 N GLU 17 20.061 -11.644 9.134 1.00 0.00 ATOM 127 CA GLU 17 20.005 -13.107 9.118 1.00 0.00 ATOM 128 CB GLU 17 18.849 -13.608 9.986 1.00 0.00 ATOM 129 CG GLU 17 19.065 -13.418 11.478 1.00 0.00 ATOM 130 CD GLU 17 17.852 -13.812 12.299 1.00 0.00 ATOM 131 OE1 GLU 17 16.816 -14.163 11.695 1.00 0.00 ATOM 132 OE2 GLU 17 17.937 -13.768 13.544 1.00 0.00 ATOM 133 O GLU 17 20.505 -14.486 7.212 1.00 0.00 ATOM 134 C GLU 17 19.860 -13.534 7.665 1.00 0.00 ATOM 135 N PHE 18 19.001 -12.824 6.942 1.00 0.00 ATOM 136 CA PHE 18 18.748 -13.108 5.537 1.00 0.00 ATOM 137 CB PHE 18 17.700 -12.145 4.974 1.00 0.00 ATOM 138 CG PHE 18 17.378 -12.379 3.527 1.00 0.00 ATOM 139 CD1 PHE 18 16.537 -13.411 3.147 1.00 0.00 ATOM 140 CD2 PHE 18 17.915 -11.567 2.543 1.00 0.00 ATOM 141 CE1 PHE 18 16.241 -13.625 1.814 1.00 0.00 ATOM 142 CE2 PHE 18 17.619 -11.781 1.210 1.00 0.00 ATOM 143 CZ PHE 18 16.785 -12.805 0.844 1.00 0.00 ATOM 144 O PHE 18 20.220 -13.865 3.828 1.00 0.00 ATOM 145 C PHE 18 20.009 -12.964 4.675 1.00 0.00 ATOM 146 N PRO 19 20.967 -11.949 4.716 1.00 0.00 ATOM 147 CA PRO 19 22.182 -11.930 3.892 1.00 0.00 ATOM 148 CB PRO 19 22.858 -10.594 4.268 1.00 0.00 ATOM 149 CG PRO 19 21.684 -9.724 4.662 1.00 0.00 ATOM 150 CD PRO 19 20.774 -10.673 5.424 1.00 0.00 ATOM 151 O PRO 19 23.668 -13.751 3.406 1.00 0.00 ATOM 152 C PRO 19 23.064 -13.120 4.272 1.00 0.00 ATOM 153 N THR 20 23.057 -13.460 5.569 1.00 0.00 ATOM 154 CA THR 20 23.856 -14.598 6.046 1.00 0.00 ATOM 155 CB THR 20 23.766 -14.748 7.576 1.00 0.00 ATOM 156 CG2 THR 20 24.548 -15.968 8.038 1.00 0.00 ATOM 157 OG1 THR 20 24.311 -13.582 8.207 1.00 0.00 ATOM 158 O THR 20 24.153 -16.738 4.995 1.00 0.00 ATOM 159 C THR 20 23.368 -15.941 5.509 1.00 0.00 ATOM 160 N THR 21 21.993 -16.175 5.624 1.00 0.00 ATOM 161 CA THR 21 21.429 -17.406 5.090 1.00 0.00 ATOM 162 CB THR 21 20.836 -18.461 6.041 1.00 0.00 ATOM 163 CG2 THR 21 21.884 -18.925 7.040 1.00 0.00 ATOM 164 OG1 THR 21 19.730 -17.896 6.756 1.00 0.00 ATOM 165 O THR 21 19.680 -15.910 4.454 1.00 0.00 ATOM 166 C THR 21 20.358 -16.893 4.153 1.00 0.00 ATOM 167 N ILE 22 20.176 -17.587 3.045 1.00 0.00 ATOM 168 CA ILE 22 19.199 -17.177 2.026 1.00 0.00 ATOM 169 CB ILE 22 19.855 -16.946 0.660 1.00 0.00 ATOM 170 CG1 ILE 22 20.948 -15.861 0.811 1.00 0.00 ATOM 171 CG2 ILE 22 18.816 -16.530 -0.386 1.00 0.00 ATOM 172 CD1 ILE 22 21.810 -15.620 -0.399 1.00 0.00 ATOM 173 O ILE 22 18.385 -19.384 1.671 1.00 0.00 ATOM 174 C ILE 22 18.103 -18.238 1.963 1.00 0.00 ATOM 175 N THR 23 16.875 -17.820 2.200 1.00 0.00 ATOM 176 CA THR 23 15.720 -18.730 2.155 1.00 0.00 ATOM 177 CB THR 23 14.855 -18.594 3.404 1.00 0.00 ATOM 178 CG2 THR 23 13.741 -19.636 3.433 1.00 0.00 ATOM 179 OG1 THR 23 15.630 -18.926 4.565 1.00 0.00 ATOM 180 O THR 23 14.298 -17.377 0.790 1.00 0.00 ATOM 181 C THR 23 14.912 -18.433 0.899 1.00 0.00 ATOM 182 N ILE 24 14.599 -19.372 -0.143 1.00 0.00 ATOM 183 CA ILE 24 13.936 -19.012 -1.371 1.00 0.00 ATOM 184 CB ILE 24 13.549 -20.258 -2.191 1.00 0.00 ATOM 185 CG1 ILE 24 14.803 -20.968 -2.704 1.00 0.00 ATOM 186 CG2 ILE 24 12.695 -19.864 -3.386 1.00 0.00 ATOM 187 CD1 ILE 24 14.533 -22.336 -3.291 1.00 0.00 ATOM 188 O ILE 24 12.412 -17.208 -1.792 1.00 0.00 ATOM 189 C ILE 24 12.659 -18.209 -1.125 1.00 0.00 ATOM 190 N ASP 25 11.866 -18.605 -0.157 1.00 0.00 ATOM 191 CA ASP 25 10.634 -17.889 0.152 1.00 0.00 ATOM 192 CB ASP 25 9.808 -18.574 1.244 1.00 0.00 ATOM 193 CG ASP 25 9.130 -19.837 0.755 1.00 0.00 ATOM 194 OD1 ASP 25 9.101 -20.060 -0.474 1.00 0.00 ATOM 195 OD2 ASP 25 8.628 -20.607 1.601 1.00 0.00 ATOM 196 O ASP 25 10.237 -15.530 0.221 1.00 0.00 ATOM 197 C ASP 25 10.923 -16.479 0.622 1.00 0.00 ATOM 198 N LYS 26 11.962 -16.298 1.481 1.00 0.00 ATOM 199 CA LYS 26 12.315 -14.963 1.943 1.00 0.00 ATOM 200 CB LYS 26 13.460 -15.032 2.956 1.00 0.00 ATOM 201 CG LYS 26 13.069 -15.634 4.295 1.00 0.00 ATOM 202 CD LYS 26 14.251 -15.670 5.251 1.00 0.00 ATOM 203 CE LYS 26 13.866 -16.292 6.582 1.00 0.00 ATOM 204 NZ LYS 26 15.023 -16.365 7.516 1.00 0.00 ATOM 205 O LYS 26 12.301 -12.921 0.666 1.00 0.00 ATOM 206 C LYS 26 12.722 -14.080 0.764 1.00 0.00 ATOM 207 N LEU 27 13.548 -14.626 -0.111 1.00 0.00 ATOM 208 CA LEU 27 14.044 -13.866 -1.251 1.00 0.00 ATOM 209 CB LEU 27 15.052 -14.676 -2.071 1.00 0.00 ATOM 210 CG LEU 27 15.630 -13.984 -3.308 1.00 0.00 ATOM 211 CD1 LEU 27 16.391 -12.727 -2.916 1.00 0.00 ATOM 212 CD2 LEU 27 16.588 -14.909 -4.043 1.00 0.00 ATOM 213 O LEU 27 12.750 -12.347 -2.602 1.00 0.00 ATOM 214 C LEU 27 12.861 -13.502 -2.162 1.00 0.00 ATOM 215 N ASP 28 11.907 -14.591 -2.536 1.00 0.00 ATOM 216 CA ASP 28 10.776 -14.227 -3.401 1.00 0.00 ATOM 217 CB ASP 28 9.796 -15.396 -3.522 1.00 0.00 ATOM 218 CG ASP 28 10.335 -16.521 -4.384 1.00 0.00 ATOM 219 OD1 ASP 28 11.353 -16.305 -5.075 1.00 0.00 ATOM 220 OD2 ASP 28 9.740 -17.620 -4.367 1.00 0.00 ATOM 221 O ASP 28 9.630 -12.121 -3.588 1.00 0.00 ATOM 222 C ASP 28 10.020 -13.021 -2.844 1.00 0.00 ATOM 223 N GLU 29 9.831 -13.015 -1.526 1.00 0.00 ATOM 224 CA GLU 29 9.129 -11.924 -0.849 1.00 0.00 ATOM 225 CB GLU 29 9.041 -12.172 0.659 1.00 0.00 ATOM 226 CG GLU 29 8.282 -11.100 1.422 1.00 0.00 ATOM 227 CD GLU 29 8.189 -11.396 2.905 1.00 0.00 ATOM 228 OE1 GLU 29 8.705 -12.449 3.335 1.00 0.00 ATOM 229 OE2 GLU 29 7.596 -10.576 3.639 1.00 0.00 ATOM 230 O GLU 29 9.268 -9.572 -1.365 1.00 0.00 ATOM 231 C GLU 29 9.873 -10.603 -1.061 1.00 0.00 ATOM 232 N GLU 30 11.180 -10.631 -0.914 1.00 0.00 ATOM 233 CA GLU 30 11.994 -9.435 -1.107 1.00 0.00 ATOM 234 CB GLU 30 13.470 -9.721 -0.827 1.00 0.00 ATOM 235 CG GLU 30 14.366 -8.494 -0.896 1.00 0.00 ATOM 236 CD GLU 30 15.808 -8.806 -0.556 1.00 0.00 ATOM 237 OE1 GLU 30 16.106 -9.979 -0.247 1.00 0.00 ATOM 238 OE2 GLU 30 16.643 -7.876 -0.598 1.00 0.00 ATOM 239 O GLU 30 11.736 -7.683 -2.713 1.00 0.00 ATOM 240 C GLU 30 11.871 -8.889 -2.521 1.00 0.00 ATOM 241 N ASP 31 11.946 -9.756 -3.509 1.00 0.00 ATOM 242 CA ASP 31 11.838 -9.327 -4.900 1.00 0.00 ATOM 243 CB ASP 31 11.976 -10.531 -5.834 1.00 0.00 ATOM 244 CG ASP 31 13.394 -11.062 -5.895 1.00 0.00 ATOM 245 OD1 ASP 31 14.311 -10.363 -5.412 1.00 0.00 ATOM 246 OD2 ASP 31 13.589 -12.174 -6.429 1.00 0.00 ATOM 247 O ASP 31 10.410 -7.634 -5.840 1.00 0.00 ATOM 248 C ASP 31 10.486 -8.664 -5.173 1.00 0.00 ATOM 249 N PHE 32 9.456 -9.257 -4.623 1.00 0.00 ATOM 250 CA PHE 32 8.117 -8.711 -4.785 1.00 0.00 ATOM 251 CB PHE 32 7.052 -9.626 -4.178 1.00 0.00 ATOM 252 CG PHE 32 5.651 -9.102 -4.317 1.00 0.00 ATOM 253 CD1 PHE 32 4.966 -9.224 -5.513 1.00 0.00 ATOM 254 CD2 PHE 32 5.018 -8.485 -3.251 1.00 0.00 ATOM 255 CE1 PHE 32 3.678 -8.741 -5.640 1.00 0.00 ATOM 256 CE2 PHE 32 3.730 -8.002 -3.380 1.00 0.00 ATOM 257 CZ PHE 32 3.059 -8.129 -4.568 1.00 0.00 ATOM 258 O PHE 32 7.492 -6.374 -4.671 1.00 0.00 ATOM 259 C PHE 32 8.010 -7.332 -4.103 1.00 0.00 ATOM 260 N CYS 33 8.504 -7.215 -2.876 1.00 0.00 ATOM 261 CA CYS 33 8.473 -5.938 -2.213 1.00 0.00 ATOM 262 CB CYS 33 9.107 -6.041 -0.825 1.00 0.00 ATOM 263 SG CYS 33 9.060 -4.508 0.133 1.00 0.00 ATOM 264 O CYS 33 8.809 -3.738 -3.143 1.00 0.00 ATOM 265 C CYS 33 9.238 -4.889 -3.004 1.00 0.00 ATOM 266 N LEU 34 10.417 -5.273 -3.556 1.00 0.00 ATOM 267 CA LEU 34 11.274 -4.324 -4.290 1.00 0.00 ATOM 268 CB LEU 34 12.595 -4.988 -4.685 1.00 0.00 ATOM 269 CG LEU 34 13.559 -5.310 -3.542 1.00 0.00 ATOM 270 CD1 LEU 34 14.740 -6.125 -4.049 1.00 0.00 ATOM 271 CD2 LEU 34 14.098 -4.032 -2.917 1.00 0.00 ATOM 272 O LEU 34 10.742 -2.646 -5.946 1.00 0.00 ATOM 273 C LEU 34 10.618 -3.815 -5.572 1.00 0.00 ATOM 274 N LYS 35 9.921 -4.712 -6.272 1.00 0.00 ATOM 275 CA LYS 35 9.296 -4.341 -7.501 1.00 0.00 ATOM 276 CB LYS 35 8.660 -5.564 -8.169 1.00 0.00 ATOM 277 CG LYS 35 9.666 -6.566 -8.711 1.00 0.00 ATOM 278 CD LYS 35 8.969 -7.755 -9.351 1.00 0.00 ATOM 279 CE LYS 35 9.974 -8.782 -9.850 1.00 0.00 ATOM 280 NZ LYS 35 9.305 -9.962 -10.465 1.00 0.00 ATOM 281 O LYS 35 8.097 -2.317 -8.011 1.00 0.00 ATOM 282 C LYS 35 8.202 -3.299 -7.269 1.00 0.00 ATOM 283 N LEU 36 7.370 -3.539 -6.157 1.00 0.00 ATOM 284 CA LEU 36 6.292 -2.620 -5.825 1.00 0.00 ATOM 285 CB LEU 36 5.363 -3.202 -4.758 1.00 0.00 ATOM 286 CG LEU 36 4.189 -2.320 -4.328 1.00 0.00 ATOM 287 CD1 LEU 36 3.281 -2.019 -5.510 1.00 0.00 ATOM 288 CD2 LEU 36 3.359 -3.013 -3.257 1.00 0.00 ATOM 289 O LEU 36 6.449 -0.202 -5.645 1.00 0.00 ATOM 290 C LEU 36 6.882 -1.301 -5.278 1.00 0.00 ATOM 291 N GLU 37 7.861 -1.428 -4.414 1.00 0.00 ATOM 292 CA GLU 37 8.439 -0.231 -3.844 1.00 0.00 ATOM 293 CB GLU 37 9.519 -0.591 -2.821 1.00 0.00 ATOM 294 CG GLU 37 10.139 0.609 -2.124 1.00 0.00 ATOM 295 CD GLU 37 11.161 0.212 -1.078 1.00 0.00 ATOM 296 OE1 GLU 37 11.372 -1.004 -0.884 1.00 0.00 ATOM 297 OE2 GLU 37 11.751 1.116 -0.452 1.00 0.00 ATOM 298 O GLU 37 8.924 1.863 -4.981 1.00 0.00 ATOM 299 C GLU 37 9.070 0.620 -4.932 1.00 0.00 ATOM 300 N LEU 38 9.779 -0.046 -5.854 1.00 0.00 ATOM 301 CA LEU 38 10.484 0.708 -6.873 1.00 0.00 ATOM 302 CB LEU 38 11.427 -0.205 -7.660 1.00 0.00 ATOM 303 CG LEU 38 12.639 -0.746 -6.900 1.00 0.00 ATOM 304 CD1 LEU 38 13.385 -1.772 -7.738 1.00 0.00 ATOM 305 CD2 LEU 38 13.603 0.379 -6.557 1.00 0.00 ATOM 306 O LEU 38 9.693 2.481 -8.282 1.00 0.00 ATOM 307 C LEU 38 9.518 1.353 -7.865 1.00 0.00 ATOM 308 N ARG 39 8.382 0.627 -8.226 1.00 0.00 ATOM 309 CA ARG 39 7.432 1.155 -9.152 1.00 0.00 ATOM 310 CB ARG 39 6.346 0.154 -9.517 1.00 0.00 ATOM 311 CG ARG 39 6.896 -1.010 -10.341 1.00 0.00 ATOM 312 CD ARG 39 5.839 -2.041 -10.735 1.00 0.00 ATOM 313 NE ARG 39 6.469 -3.203 -11.365 1.00 0.00 ATOM 314 CZ ARG 39 6.477 -4.427 -10.847 1.00 0.00 ATOM 315 NH1 ARG 39 5.878 -4.664 -9.687 1.00 0.00 ATOM 316 NH2 ARG 39 7.101 -5.412 -11.481 1.00 0.00 ATOM 317 O ARG 39 6.554 3.406 -9.223 1.00 0.00 ATOM 318 C ARG 39 6.779 2.395 -8.531 1.00 0.00 ATOM 319 N LEU 40 6.504 2.330 -7.226 1.00 0.00 ATOM 320 CA LEU 40 5.883 3.443 -6.569 1.00 0.00 ATOM 321 CB LEU 40 5.512 3.077 -5.131 1.00 0.00 ATOM 322 CG LEU 40 4.759 4.142 -4.333 1.00 0.00 ATOM 323 CD1 LEU 40 3.383 4.389 -4.933 1.00 0.00 ATOM 324 CD2 LEU 40 4.574 3.702 -2.889 1.00 0.00 ATOM 325 O LEU 40 8.035 4.406 -6.109 1.00 0.00 ATOM 326 C LEU 40 6.893 4.581 -6.537 1.00 0.00 ATOM 327 N GLU 41 6.427 5.736 -6.923 1.00 0.00 ATOM 328 CA GLU 41 7.255 6.935 -6.917 1.00 0.00 ATOM 329 CB GLU 41 6.644 8.146 -7.624 1.00 0.00 ATOM 330 CG GLU 41 6.447 7.957 -9.120 1.00 0.00 ATOM 331 CD GLU 41 5.842 9.178 -9.786 1.00 0.00 ATOM 332 OE1 GLU 41 5.541 10.156 -9.072 1.00 0.00 ATOM 333 OE2 GLU 41 5.671 9.156 -11.022 1.00 0.00 ATOM 334 O GLU 41 6.890 7.271 -4.586 1.00 0.00 ATOM 335 C GLU 41 7.653 7.384 -5.522 1.00 0.00 ATOM 336 N ASP 42 8.887 7.935 -5.195 1.00 0.00 ATOM 337 CA ASP 42 9.284 8.536 -3.946 1.00 0.00 ATOM 338 CB ASP 42 10.671 9.170 -4.074 1.00 0.00 ATOM 339 CG ASP 42 11.779 8.138 -4.150 1.00 0.00 ATOM 340 OD1 ASP 42 11.504 6.950 -3.878 1.00 0.00 ATOM 341 OD2 ASP 42 12.922 8.516 -4.480 1.00 0.00 ATOM 342 O ASP 42 7.925 9.760 -2.363 1.00 0.00 ATOM 343 C ASP 42 8.296 9.629 -3.523 1.00 0.00 ATOM 344 N GLY 43 7.822 10.391 -4.503 1.00 0.00 ATOM 345 CA GLY 43 6.856 11.410 -4.189 1.00 0.00 ATOM 346 O GLY 43 4.973 11.303 -2.622 1.00 0.00 ATOM 347 C GLY 43 5.544 10.823 -3.591 1.00 0.00 ATOM 348 N THR 44 5.056 9.640 -4.176 1.00 0.00 ATOM 349 CA THR 44 3.866 8.939 -3.645 1.00 0.00 ATOM 350 CB THR 44 3.460 7.755 -4.542 1.00 0.00 ATOM 351 CG2 THR 44 2.260 7.029 -3.955 1.00 0.00 ATOM 352 OG1 THR 44 3.118 8.237 -5.848 1.00 0.00 ATOM 353 O THR 44 3.248 8.563 -1.370 1.00 0.00 ATOM 354 C THR 44 4.126 8.444 -2.228 1.00 0.00 ATOM 355 N LEU 45 5.316 7.930 -1.989 1.00 0.00 ATOM 356 CA LEU 45 5.672 7.455 -0.667 1.00 0.00 ATOM 357 CB LEU 45 7.087 6.888 -0.649 1.00 0.00 ATOM 358 CG LEU 45 7.199 5.559 -1.407 1.00 0.00 ATOM 359 CD1 LEU 45 8.653 5.202 -1.613 1.00 0.00 ATOM 360 CD2 LEU 45 6.482 4.458 -0.637 1.00 0.00 ATOM 361 O LEU 45 5.105 8.345 1.487 1.00 0.00 ATOM 362 C LEU 45 5.573 8.569 0.372 1.00 0.00 ATOM 363 N ILE 46 6.000 9.869 0.035 1.00 0.00 ATOM 364 CA ILE 46 5.956 11.023 0.917 1.00 0.00 ATOM 365 CB ILE 46 6.873 12.157 0.414 1.00 0.00 ATOM 366 CG1 ILE 46 8.336 11.668 0.357 1.00 0.00 ATOM 367 CG2 ILE 46 6.712 13.396 1.286 1.00 0.00 ATOM 368 CD1 ILE 46 9.348 12.725 -0.054 1.00 0.00 ATOM 369 O ILE 46 4.237 11.885 2.262 1.00 0.00 ATOM 370 C ILE 46 4.551 11.600 1.104 1.00 0.00 ATOM 371 N ASN 47 3.798 11.673 0.005 1.00 0.00 ATOM 372 CA ASN 47 2.373 12.132 0.202 1.00 0.00 ATOM 373 CB ASN 47 1.627 12.154 -1.133 1.00 0.00 ATOM 374 CG ASN 47 2.065 13.299 -2.027 1.00 0.00 ATOM 375 ND2 ASN 47 1.796 13.175 -3.322 1.00 0.00 ATOM 376 OD1 ASN 47 2.637 14.283 -1.556 1.00 0.00 ATOM 377 O ASN 47 0.989 11.678 2.127 1.00 0.00 ATOM 378 C ASN 47 1.649 11.217 1.191 1.00 0.00 ATOM 379 N ALA 48 1.891 9.891 1.071 1.00 0.00 ATOM 380 CA ALA 48 1.253 8.917 1.943 1.00 0.00 ATOM 381 CB ALA 48 1.378 7.493 1.424 1.00 0.00 ATOM 382 O ALA 48 1.022 8.760 4.340 1.00 0.00 ATOM 383 C ALA 48 1.801 8.889 3.376 1.00 0.00 ATOM 384 N ILE 49 3.191 8.936 3.621 1.00 0.00 ATOM 385 CA ILE 49 3.918 8.674 4.824 1.00 0.00 ATOM 386 CB ILE 49 4.867 7.206 4.068 1.00 0.00 ATOM 387 CG1 ILE 49 6.190 7.964 3.759 1.00 0.00 ATOM 388 CG2 ILE 49 4.247 6.583 2.791 1.00 0.00 ATOM 389 CD1 ILE 49 7.325 6.978 3.474 1.00 0.00 ATOM 390 O ILE 49 5.096 9.651 6.633 1.00 0.00 ATOM 391 C ILE 49 4.609 9.833 5.516 1.00 0.00 ATOM 392 N GLY 50 4.706 10.959 4.795 1.00 0.00 ATOM 393 CA GLY 50 5.360 12.143 5.337 1.00 0.00 ATOM 394 O GLY 50 6.654 12.776 3.447 1.00 0.00 ATOM 395 C GLY 50 6.612 12.657 4.669 1.00 0.00 ATOM 396 N HIS 51 7.541 12.819 5.703 1.00 0.00 ATOM 397 CA HIS 51 8.812 13.283 5.148 1.00 0.00 ATOM 398 CB HIS 51 9.271 14.654 5.647 1.00 0.00 ATOM 399 CG HIS 51 8.318 15.763 5.325 1.00 0.00 ATOM 400 CD2 HIS 51 7.406 16.603 6.088 1.00 0.00 ATOM 401 ND1 HIS 51 8.132 16.235 4.044 1.00 0.00 ATOM 402 CE1 HIS 51 7.221 17.225 4.071 1.00 0.00 ATOM 403 NE2 HIS 51 6.783 17.452 5.293 1.00 0.00 ATOM 404 O HIS 51 9.914 11.195 5.650 1.00 0.00 ATOM 405 C HIS 51 10.038 12.388 5.364 1.00 0.00 ATOM 406 N ASP 52 11.212 12.995 4.771 1.00 0.00 ATOM 407 CA ASP 52 12.450 12.270 4.996 1.00 0.00 ATOM 408 CB ASP 52 13.530 12.739 4.019 1.00 0.00 ATOM 409 CG ASP 52 13.877 14.204 4.191 1.00 0.00 ATOM 410 OD1 ASP 52 13.243 14.869 5.040 1.00 0.00 ATOM 411 OD2 ASP 52 14.779 14.689 3.479 1.00 0.00 ATOM 412 O ASP 52 14.167 12.126 6.658 1.00 0.00 ATOM 413 C ASP 52 13.008 12.460 6.404 1.00 0.00 ATOM 414 N SER 53 12.202 12.996 7.321 1.00 0.00 ATOM 415 CA SER 53 12.693 13.202 8.689 1.00 0.00 ATOM 416 CB SER 53 11.995 14.400 9.335 1.00 0.00 ATOM 417 OG SER 53 10.612 14.152 9.512 1.00 0.00 ATOM 418 O SER 53 11.664 11.132 9.338 1.00 0.00 ATOM 419 C SER 53 12.465 12.023 9.613 1.00 0.00 ATOM 420 N THR 54 13.190 12.020 10.722 1.00 0.00 ATOM 421 CA THR 54 13.071 10.972 11.728 1.00 0.00 ATOM 422 CB THR 54 14.013 11.226 12.920 1.00 0.00 ATOM 423 CG2 THR 54 13.844 10.140 13.972 1.00 0.00 ATOM 424 OG1 THR 54 15.373 11.224 12.468 1.00 0.00 ATOM 425 O THR 54 11.268 9.665 12.613 1.00 0.00 ATOM 426 C THR 54 11.691 10.794 12.349 1.00 0.00 ATOM 427 N ILE 55 10.927 11.946 12.500 1.00 0.00 ATOM 428 CA ILE 55 9.586 11.896 13.086 1.00 0.00 ATOM 429 CB ILE 55 8.930 13.192 13.275 1.00 0.00 ATOM 430 CG1 ILE 55 7.653 13.104 14.128 1.00 0.00 ATOM 431 CG2 ILE 55 8.668 13.991 11.992 1.00 0.00 ATOM 432 CD1 ILE 55 7.899 12.575 15.544 1.00 0.00 ATOM 433 O ILE 55 7.873 10.312 12.505 1.00 0.00 ATOM 434 C ILE 55 8.629 11.233 12.127 1.00 0.00 ATOM 435 N ASN 56 8.642 11.622 10.890 1.00 0.00 ATOM 436 CA ASN 56 7.747 11.045 9.880 1.00 0.00 ATOM 437 CB ASN 56 7.749 11.801 8.586 1.00 0.00 ATOM 438 CG ASN 56 7.024 13.127 8.721 1.00 0.00 ATOM 439 ND2 ASN 56 7.428 14.145 7.919 1.00 0.00 ATOM 440 OD1 ASN 56 6.109 13.247 9.536 1.00 0.00 ATOM 441 O ASN 56 7.209 8.786 9.323 1.00 0.00 ATOM 442 C ASN 56 8.093 9.589 9.620 1.00 0.00 ATOM 443 N LEU 57 9.361 9.276 9.747 1.00 0.00 ATOM 444 CA LEU 57 9.785 7.897 9.548 1.00 0.00 ATOM 445 CB LEU 57 11.292 7.812 9.607 1.00 0.00 ATOM 446 CG LEU 57 11.962 8.361 8.329 1.00 0.00 ATOM 447 CD1 LEU 57 13.481 8.352 8.506 1.00 0.00 ATOM 448 CD2 LEU 57 11.602 7.491 7.106 1.00 0.00 ATOM 449 O LEU 57 8.726 5.953 10.482 1.00 0.00 ATOM 450 C LEU 57 9.215 7.065 10.696 1.00 0.00 ATOM 451 N VAL 58 9.295 7.593 11.916 1.00 0.00 ATOM 452 CA VAL 58 8.759 6.870 13.068 1.00 0.00 ATOM 453 CB VAL 58 9.092 7.604 14.384 1.00 0.00 ATOM 454 CG1 VAL 58 8.417 6.909 15.558 1.00 0.00 ATOM 455 CG2 VAL 58 10.600 7.625 14.588 1.00 0.00 ATOM 456 O VAL 58 6.735 5.587 13.178 1.00 0.00 ATOM 457 C VAL 58 7.261 6.659 12.879 1.00 0.00 ATOM 458 N ASN 59 6.572 7.687 12.350 1.00 0.00 ATOM 459 CA ASN 59 5.146 7.553 12.101 1.00 0.00 ATOM 460 CB ASN 59 4.623 8.874 11.532 1.00 0.00 ATOM 461 CG ASN 59 3.113 8.895 11.400 1.00 0.00 ATOM 462 ND2 ASN 59 2.630 9.010 10.168 1.00 0.00 ATOM 463 OD1 ASN 59 2.393 8.810 12.395 1.00 0.00 ATOM 464 O ASN 59 3.899 5.663 11.293 1.00 0.00 ATOM 465 C ASN 59 4.836 6.441 11.104 1.00 0.00 ATOM 466 N THR 60 5.623 6.370 10.037 1.00 0.00 ATOM 467 CA THR 60 5.405 5.351 9.025 1.00 0.00 ATOM 468 CB THR 60 6.383 5.508 7.846 1.00 0.00 ATOM 469 CG2 THR 60 6.160 4.409 6.819 1.00 0.00 ATOM 470 OG1 THR 60 6.178 6.780 7.217 1.00 0.00 ATOM 471 O THR 60 4.813 3.047 9.253 1.00 0.00 ATOM 472 C THR 60 5.592 3.944 9.574 1.00 0.00 ATOM 473 N LEU 61 6.569 3.764 10.460 1.00 0.00 ATOM 474 CA LEU 61 6.793 2.452 11.058 1.00 0.00 ATOM 475 CB LEU 61 8.029 2.468 11.899 1.00 0.00 ATOM 476 CG LEU 61 9.351 2.317 11.138 1.00 0.00 ATOM 477 CD1 LEU 61 10.540 2.738 11.996 1.00 0.00 ATOM 478 CD2 LEU 61 9.506 0.850 10.714 1.00 0.00 ATOM 479 O LEU 61 5.039 1.014 11.872 1.00 0.00 ATOM 480 C LEU 61 5.634 2.091 11.980 1.00 0.00 ATOM 481 N CYS 62 5.329 2.998 12.899 1.00 0.00 ATOM 482 CA CYS 62 4.281 2.767 13.882 1.00 0.00 ATOM 483 CB CYS 62 4.120 3.988 14.791 1.00 0.00 ATOM 484 SG CYS 62 2.931 3.768 16.135 1.00 0.00 ATOM 485 O CYS 62 2.155 1.635 13.715 1.00 0.00 ATOM 486 C CYS 62 2.883 2.513 13.256 1.00 0.00 ATOM 487 N GLY 63 2.552 3.206 12.168 1.00 0.00 ATOM 488 CA GLY 63 1.280 2.960 11.500 1.00 0.00 ATOM 489 O GLY 63 0.227 1.866 9.642 1.00 0.00 ATOM 490 C GLY 63 1.217 1.939 10.374 1.00 0.00 ATOM 491 N THR 64 2.268 1.028 10.520 1.00 0.00 ATOM 492 CA THR 64 2.373 -0.006 9.495 1.00 0.00 ATOM 493 CB THR 64 3.065 0.576 8.237 1.00 0.00 ATOM 494 CG2 THR 64 3.087 -0.444 7.105 1.00 0.00 ATOM 495 OG1 THR 64 2.348 1.709 7.762 1.00 0.00 ATOM 496 O THR 64 2.601 -2.383 9.697 1.00 0.00 ATOM 497 C THR 64 3.115 -1.282 9.886 1.00 0.00 ATOM 498 N GLN 65 4.372 -1.143 10.301 1.00 0.00 ATOM 499 CA GLN 65 5.187 -2.311 10.617 1.00 0.00 ATOM 500 CB GLN 65 6.580 -1.881 11.083 1.00 0.00 ATOM 501 CG GLN 65 7.408 -1.193 10.010 1.00 0.00 ATOM 502 CD GLN 65 7.686 -2.093 8.822 1.00 0.00 ATOM 503 OE1 GLN 65 8.052 -3.257 8.985 1.00 0.00 ATOM 504 NE2 GLN 65 7.516 -1.553 7.621 1.00 0.00 ATOM 505 O GLN 65 5.106 -4.482 11.690 1.00 0.00 ATOM 506 C GLN 65 4.718 -3.295 11.680 1.00 0.00 ATOM 507 N LEU 66 3.846 -2.834 12.581 1.00 0.00 ATOM 508 CA LEU 66 3.304 -3.663 13.645 1.00 0.00 ATOM 509 CB LEU 66 3.190 -2.877 14.953 1.00 0.00 ATOM 510 CG LEU 66 4.493 -2.295 15.507 1.00 0.00 ATOM 511 CD1 LEU 66 4.223 -1.462 16.751 1.00 0.00 ATOM 512 CD2 LEU 66 5.464 -3.404 15.879 1.00 0.00 ATOM 513 O LEU 66 1.268 -4.808 14.207 1.00 0.00 ATOM 514 C LEU 66 1.920 -4.232 13.335 1.00 0.00 ATOM 515 N GLN 67 1.413 -4.107 12.042 1.00 0.00 ATOM 516 CA GLN 67 0.131 -4.690 11.647 1.00 0.00 ATOM 517 CB GLN 67 -0.283 -4.186 10.264 1.00 0.00 ATOM 518 CG GLN 67 -0.547 -2.690 10.201 1.00 0.00 ATOM 519 CD GLN 67 -1.691 -2.261 11.100 1.00 0.00 ATOM 520 OE1 GLN 67 -2.798 -2.789 11.004 1.00 0.00 ATOM 521 NE2 GLN 67 -1.423 -1.301 11.977 1.00 0.00 ATOM 522 O GLN 67 1.379 -6.721 11.369 1.00 0.00 ATOM 523 C GLN 67 0.289 -6.204 11.615 1.00 0.00 ATOM 524 N LYS 68 -0.801 -6.921 11.865 1.00 0.00 ATOM 525 CA LYS 68 -0.763 -8.374 11.845 1.00 0.00 ATOM 526 CB LYS 68 -2.128 -8.951 12.220 1.00 0.00 ATOM 527 CG LYS 68 -2.506 -8.759 13.679 1.00 0.00 ATOM 528 CD LYS 68 -3.874 -9.348 13.979 1.00 0.00 ATOM 529 CE LYS 68 -4.252 -9.151 15.439 1.00 0.00 ATOM 530 NZ LYS 68 -5.605 -9.696 15.740 1.00 0.00 ATOM 531 O LYS 68 0.504 -9.713 10.266 1.00 0.00 ATOM 532 C LYS 68 -0.311 -8.792 10.430 1.00 0.00 ATOM 533 N ASN 69 -0.837 -7.993 9.419 1.00 0.00 ATOM 534 CA ASN 69 -0.519 -8.323 8.022 1.00 0.00 ATOM 535 CB ASN 69 -1.228 -7.342 7.087 1.00 0.00 ATOM 536 CG ASN 69 -2.728 -7.557 7.045 1.00 0.00 ATOM 537 ND2 ASN 69 -3.460 -6.534 6.620 1.00 0.00 ATOM 538 OD1 ASN 69 -3.220 -8.631 7.391 1.00 0.00 ATOM 539 O ASN 69 1.388 -8.820 6.654 1.00 0.00 ATOM 540 C ASN 69 0.967 -8.275 7.673 1.00 0.00 ATOM 541 N ARG 70 1.754 -7.648 8.541 1.00 0.00 ATOM 542 CA ARG 70 3.201 -7.548 8.320 1.00 0.00 ATOM 543 CB ARG 70 3.773 -8.921 9.068 1.00 0.00 ATOM 544 CG ARG 70 5.176 -8.990 9.605 1.00 0.00 ATOM 545 CD ARG 70 5.381 -10.355 10.211 1.00 0.00 ATOM 546 NE ARG 70 4.623 -10.539 11.450 1.00 0.00 ATOM 547 CZ ARG 70 4.119 -11.704 11.843 1.00 0.00 ATOM 548 NH1 ARG 70 4.273 -12.784 11.086 1.00 0.00 ATOM 549 NH2 ARG 70 3.497 -11.804 13.009 1.00 0.00 ATOM 550 O ARG 70 4.368 -7.405 6.220 1.00 0.00 ATOM 551 C ARG 70 3.432 -7.006 6.912 1.00 0.00 ATOM 552 N VAL 71 5.261 -7.882 4.852 1.00 0.00 ATOM 553 CA VAL 71 5.777 -7.543 3.512 1.00 0.00 ATOM 554 CB VAL 71 4.716 -6.815 2.666 1.00 0.00 ATOM 555 CG1 VAL 71 5.326 -6.303 1.369 1.00 0.00 ATOM 556 CG2 VAL 71 3.572 -7.757 2.320 1.00 0.00 ATOM 557 O VAL 71 7.884 -6.715 2.804 1.00 0.00 ATOM 558 C VAL 71 6.985 -6.636 3.636 1.00 0.00 ATOM 559 N GLU 72 7.105 -5.841 4.715 1.00 0.00 ATOM 560 CA GLU 72 8.277 -4.989 4.884 1.00 0.00 ATOM 561 CB GLU 72 7.865 -3.602 5.379 1.00 0.00 ATOM 562 CG GLU 72 6.894 -2.878 4.459 1.00 0.00 ATOM 563 CD GLU 72 7.458 -2.666 3.067 1.00 0.00 ATOM 564 OE1 GLU 72 8.590 -2.150 2.958 1.00 0.00 ATOM 565 OE2 GLU 72 6.767 -3.016 2.087 1.00 0.00 ATOM 566 O GLU 72 10.392 -4.933 6.029 1.00 0.00 ATOM 567 C GLU 72 9.307 -5.511 5.886 1.00 0.00 ATOM 568 N VAL 73 9.031 -6.628 6.530 1.00 0.00 ATOM 569 CA VAL 73 9.897 -7.183 7.556 1.00 0.00 ATOM 570 CB VAL 73 9.279 -6.931 8.940 1.00 0.00 ATOM 571 CG1 VAL 73 10.092 -7.669 10.007 1.00 0.00 ATOM 572 CG2 VAL 73 9.201 -5.443 9.213 1.00 0.00 ATOM 573 O VAL 73 8.991 -9.314 7.064 1.00 0.00 ATOM 574 C VAL 73 9.983 -8.666 7.346 1.00 0.00 ATOM 575 N LYS 74 11.176 -9.173 7.484 1.00 0.00 ATOM 576 CA LYS 74 11.443 -10.564 7.298 1.00 0.00 ATOM 577 CB LYS 74 12.750 -10.762 6.529 1.00 0.00 ATOM 578 CG LYS 74 12.730 -10.202 5.115 1.00 0.00 ATOM 579 CD LYS 74 14.056 -10.436 4.410 1.00 0.00 ATOM 580 CE LYS 74 13.998 -9.981 2.960 1.00 0.00 ATOM 581 NZ LYS 74 15.310 -10.142 2.275 1.00 0.00 ATOM 582 O LYS 74 12.277 -9.813 9.425 1.00 0.00 ATOM 583 C LYS 74 11.287 -10.286 8.821 1.00 0.00 ATOM 584 N MET 75 9.052 -10.956 10.998 1.00 0.00 ATOM 585 CA MET 75 8.678 -10.604 12.358 1.00 0.00 ATOM 586 CB MET 75 7.771 -9.374 12.421 1.00 0.00 ATOM 587 CG MET 75 7.530 -8.849 13.827 1.00 0.00 ATOM 588 SD MET 75 6.490 -7.377 13.853 1.00 0.00 ATOM 589 CE MET 75 7.645 -6.135 13.278 1.00 0.00 ATOM 590 O MET 75 6.953 -12.248 12.698 1.00 0.00 ATOM 591 C MET 75 7.970 -11.707 13.143 1.00 0.00 ATOM 592 N ASN 76 8.491 -12.009 14.328 1.00 0.00 ATOM 593 CA ASN 76 7.924 -13.050 15.179 1.00 0.00 ATOM 594 CB ASN 76 9.029 -13.947 15.738 1.00 0.00 ATOM 595 CG ASN 76 9.725 -14.755 14.660 1.00 0.00 ATOM 596 ND2 ASN 76 10.990 -15.086 14.893 1.00 0.00 ATOM 597 OD1 ASN 76 9.130 -15.077 13.631 1.00 0.00 ATOM 598 O ASN 76 7.644 -11.559 17.039 1.00 0.00 ATOM 599 C ASN 76 7.160 -12.462 16.360 1.00 0.00 ATOM 600 N GLU 77 5.951 -13.194 16.494 1.00 0.00 ATOM 601 CA GLU 77 5.038 -12.753 17.536 1.00 0.00 ATOM 602 CB GLU 77 3.804 -13.656 17.584 1.00 0.00 ATOM 603 CG GLU 77 2.770 -13.238 18.618 1.00 0.00 ATOM 604 CD GLU 77 1.547 -14.136 18.613 1.00 0.00 ATOM 605 OE1 GLU 77 1.502 -15.074 17.792 1.00 0.00 ATOM 606 OE2 GLU 77 0.634 -13.897 19.431 1.00 0.00 ATOM 607 O GLU 77 5.506 -11.823 19.700 1.00 0.00 ATOM 608 C GLU 77 5.660 -12.773 18.931 1.00 0.00 ATOM 609 N GLY 78 6.355 -13.853 19.261 1.00 0.00 ATOM 610 CA GLY 78 6.947 -13.984 20.586 1.00 0.00 ATOM 611 O GLY 78 8.914 -13.431 21.838 1.00 0.00 ATOM 612 C GLY 78 8.317 -13.326 20.769 1.00 0.00 ATOM 613 N ASP 79 8.818 -12.615 19.655 1.00 0.00 ATOM 614 CA ASP 79 10.119 -11.964 19.791 1.00 0.00 ATOM 615 CB ASP 79 10.795 -11.828 18.425 1.00 0.00 ATOM 616 CG ASP 79 11.290 -13.155 17.886 1.00 0.00 ATOM 617 OD1 ASP 79 11.299 -14.142 18.651 1.00 0.00 ATOM 618 OD2 ASP 79 11.669 -13.209 16.698 1.00 0.00 ATOM 619 O ASP 79 9.013 -9.876 20.228 1.00 0.00 ATOM 620 C ASP 79 10.023 -10.567 20.385 1.00 0.00 ATOM 621 N GLU 80 11.067 -10.169 21.097 1.00 0.00 ATOM 622 CA GLU 80 11.118 -8.824 21.655 1.00 0.00 ATOM 623 CB GLU 80 12.262 -8.705 22.664 1.00 0.00 ATOM 624 CG GLU 80 12.336 -7.357 23.363 1.00 0.00 ATOM 625 CD GLU 80 13.446 -7.296 24.393 1.00 0.00 ATOM 626 OE1 GLU 80 14.167 -8.303 24.550 1.00 0.00 ATOM 627 OE2 GLU 80 13.594 -6.240 25.043 1.00 0.00 ATOM 628 O GLU 80 11.613 -8.415 19.317 1.00 0.00 ATOM 629 C GLU 80 11.184 -7.956 20.385 1.00 0.00 ATOM 630 N ALA 81 10.681 -6.659 20.406 1.00 0.00 ATOM 631 CA ALA 81 10.786 -5.739 19.271 1.00 0.00 ATOM 632 CB ALA 81 9.394 -5.239 18.918 1.00 0.00 ATOM 633 O ALA 81 11.366 -3.901 20.697 1.00 0.00 ATOM 634 C ALA 81 11.664 -4.575 19.709 1.00 0.00 ATOM 635 N LEU 82 12.734 -4.334 18.954 1.00 0.00 ATOM 636 CA LEU 82 13.694 -3.290 19.277 1.00 0.00 ATOM 637 CB LEU 82 15.045 -3.904 19.655 1.00 0.00 ATOM 638 CG LEU 82 15.062 -4.790 20.902 1.00 0.00 ATOM 639 CD1 LEU 82 16.411 -5.476 21.054 1.00 0.00 ATOM 640 CD2 LEU 82 14.805 -3.964 22.152 1.00 0.00 ATOM 641 O LEU 82 13.974 -2.782 16.952 1.00 0.00 ATOM 642 C LEU 82 13.924 -2.350 18.103 1.00 0.00 ATOM 643 N ILE 83 13.974 -1.184 18.450 1.00 0.00 ATOM 644 CA ILE 83 14.234 -0.166 17.434 1.00 0.00 ATOM 645 CB ILE 83 13.035 0.787 17.306 1.00 0.00 ATOM 646 CG1 ILE 83 11.816 0.009 16.803 1.00 0.00 ATOM 647 CG2 ILE 83 13.372 1.920 16.356 1.00 0.00 ATOM 648 CD1 ILE 83 10.539 0.818 16.799 1.00 0.00 ATOM 649 O ILE 83 15.490 1.145 18.992 1.00 0.00 ATOM 650 C ILE 83 15.444 0.652 17.868 1.00 0.00 ATOM 651 N ILE 84 16.435 0.752 16.987 1.00 0.00 ATOM 652 CA ILE 84 17.638 1.531 17.264 1.00 0.00 ATOM 653 CB ILE 84 18.911 0.676 17.119 1.00 0.00 ATOM 654 CG1 ILE 84 18.880 -0.497 18.101 1.00 0.00 ATOM 655 CG2 ILE 84 20.149 1.511 17.405 1.00 0.00 ATOM 656 CD1 ILE 84 19.993 -1.498 17.892 1.00 0.00 ATOM 657 O ILE 84 17.755 2.436 15.048 1.00 0.00 ATOM 658 C ILE 84 17.656 2.668 16.252 1.00 0.00 ATOM 659 N MET 85 17.440 3.967 16.730 1.00 0.00 ATOM 660 CA MET 85 17.477 5.115 15.832 1.00 0.00 ATOM 661 CB MET 85 16.368 6.108 16.186 1.00 0.00 ATOM 662 CG MET 85 16.322 7.333 15.288 1.00 0.00 ATOM 663 SD MET 85 15.877 6.934 13.587 1.00 0.00 ATOM 664 CE MET 85 14.119 6.639 13.758 1.00 0.00 ATOM 665 O MET 85 19.351 5.973 17.052 1.00 0.00 ATOM 666 C MET 85 18.841 5.785 15.943 1.00 0.00 ATOM 667 N ILE 86 19.435 6.098 14.805 1.00 0.00 ATOM 668 CA ILE 86 20.736 6.766 14.784 1.00 0.00 ATOM 669 CB ILE 86 21.856 5.917 14.152 1.00 0.00 ATOM 670 CG1 ILE 86 22.056 4.623 14.944 1.00 0.00 ATOM 671 CG2 ILE 86 23.168 6.687 14.148 1.00 0.00 ATOM 672 CD1 ILE 86 22.996 3.641 14.280 1.00 0.00 ATOM 673 O ILE 86 20.112 7.983 12.810 1.00 0.00 ATOM 674 C ILE 86 20.534 8.040 13.965 1.00 0.00 ATOM 675 N SER 87 20.810 9.190 14.570 1.00 0.00 ATOM 676 CA SER 87 20.637 10.458 13.877 1.00 0.00 ATOM 677 CB SER 87 19.278 11.072 14.214 1.00 0.00 ATOM 678 OG SER 87 19.194 11.404 15.589 1.00 0.00 ATOM 679 O SER 87 22.249 11.412 15.366 1.00 0.00 ATOM 680 C SER 87 21.708 11.464 14.263 1.00 0.00 ATOM 681 N GLN 88 22.008 12.385 13.349 1.00 0.00 ATOM 682 CA GLN 88 23.012 13.414 13.609 1.00 0.00 ATOM 683 CB GLN 88 23.957 13.555 12.415 1.00 0.00 ATOM 684 CG GLN 88 24.765 12.303 12.111 1.00 0.00 ATOM 685 CD GLN 88 25.652 12.464 10.892 1.00 0.00 ATOM 686 OE1 GLN 88 25.628 13.499 10.226 1.00 0.00 ATOM 687 NE2 GLN 88 26.440 11.437 10.596 1.00 0.00 ATOM 688 O GLN 88 23.006 15.793 13.938 1.00 0.00 ATOM 689 C GLN 88 22.338 14.759 13.856 1.00 0.00 ATOM 690 N ARG 89 21.019 14.756 14.005 1.00 0.00 ATOM 691 CA ARG 89 20.340 16.019 14.233 1.00 0.00 ATOM 692 CB ARG 89 20.110 16.801 12.933 1.00 0.00 ATOM 693 CG ARG 89 18.989 16.165 12.138 1.00 0.00 ATOM 694 CD ARG 89 18.827 16.716 10.823 1.00 0.00 ATOM 695 NE ARG 89 17.614 16.316 10.096 1.00 0.00 ATOM 696 CZ ARG 89 17.565 15.409 9.132 1.00 0.00 ATOM 697 NH1 ARG 89 18.607 14.646 8.917 1.00 0.00 ATOM 698 NH2 ARG 89 16.453 15.229 8.453 1.00 0.00 ATOM 699 O ARG 89 18.484 14.716 15.012 1.00 0.00 ATOM 700 C ARG 89 18.930 15.838 14.777 1.00 0.00 ATOM 701 N LEU 90 18.300 17.181 14.788 1.00 0.00 ATOM 702 CA LEU 90 16.980 17.439 15.338 1.00 0.00 ATOM 703 CB LEU 90 16.885 18.878 15.850 1.00 0.00 ATOM 704 CG LEU 90 17.782 19.235 17.037 1.00 0.00 ATOM 705 CD1 LEU 90 17.693 20.721 17.351 1.00 0.00 ATOM 706 CD2 LEU 90 17.368 18.460 18.277 1.00 0.00 ATOM 707 O LEU 90 16.292 17.505 13.041 1.00 0.00 ATOM 708 C LEU 90 15.967 17.257 14.212 1.00 0.00 ATOM 709 N GLU 91 14.759 16.863 14.562 1.00 0.00 ATOM 710 CA GLU 91 13.730 16.679 13.544 1.00 0.00 ATOM 711 CB GLU 91 12.448 16.118 14.164 1.00 0.00 ATOM 712 CG GLU 91 12.605 14.729 14.764 1.00 0.00 ATOM 713 CD GLU 91 13.106 14.767 16.194 1.00 0.00 ATOM 714 OE1 GLU 91 13.391 15.875 16.696 1.00 0.00 ATOM 715 OE2 GLU 91 13.212 13.689 16.814 1.00 0.00 ATOM 716 O GLU 91 13.335 19.017 13.580 1.00 0.00 ATOM 717 C GLU 91 13.457 18.004 12.893 1.00 0.00 ATOM 718 N GLU 92 13.264 17.987 11.502 1.00 0.00 ATOM 719 CA GLU 92 12.935 19.202 10.802 1.00 0.00 ATOM 720 CB GLU 92 14.193 19.746 10.123 1.00 0.00 ATOM 721 CG GLU 92 13.961 21.011 9.309 1.00 0.00 ATOM 722 CD GLU 92 15.249 21.604 8.776 1.00 0.00 ATOM 723 OE1 GLU 92 16.331 21.072 9.105 1.00 0.00 ATOM 724 OE2 GLU 92 15.179 22.602 8.027 1.00 0.00 ATOM 725 O GLU 92 12.037 17.854 9.039 1.00 0.00 ATOM 726 C GLU 92 11.897 18.852 9.745 1.00 0.00 ATOM 727 N GLY 93 10.869 19.684 9.632 1.00 0.00 ATOM 728 CA GLY 93 9.835 19.453 8.642 1.00 0.00 ATOM 729 O GLY 93 8.077 17.898 8.101 1.00 0.00 ATOM 730 C GLY 93 8.858 18.332 8.953 1.00 0.00 ATOM 731 N LYS 94 8.928 17.824 10.201 1.00 0.00 ATOM 732 CA LYS 94 8.038 16.753 10.619 1.00 0.00 ATOM 733 CB LYS 94 8.584 16.041 11.858 1.00 0.00 ATOM 734 CG LYS 94 8.719 16.936 13.080 1.00 0.00 ATOM 735 CD LYS 94 9.050 16.127 14.323 1.00 0.00 ATOM 736 CE LYS 94 9.068 17.004 15.564 1.00 0.00 ATOM 737 NZ LYS 94 9.279 16.207 16.804 1.00 0.00 ATOM 738 O LYS 94 6.675 18.351 11.772 1.00 0.00 ATOM 739 C LYS 94 6.708 17.426 10.959 1.00 0.00 ATOM 740 N VAL 95 5.618 16.933 10.381 1.00 0.00 ATOM 741 CA VAL 95 4.299 17.506 10.638 1.00 0.00 ATOM 742 CB VAL 95 3.638 17.102 8.956 1.00 0.00 ATOM 743 CG1 VAL 95 4.695 16.898 7.878 1.00 0.00 ATOM 744 CG2 VAL 95 3.002 15.766 9.333 1.00 0.00 ATOM 745 O VAL 95 2.526 17.565 12.237 1.00 0.00 ATOM 746 C VAL 95 3.672 17.142 11.977 1.00 0.00 ATOM 747 N LEU 96 4.614 16.021 12.604 1.00 0.00 ATOM 748 CA LEU 96 4.269 15.110 13.677 1.00 0.00 ATOM 749 CB LEU 96 4.525 13.662 13.253 1.00 0.00 ATOM 750 CG LEU 96 3.751 13.167 12.029 1.00 0.00 ATOM 751 CD1 LEU 96 4.190 11.762 11.648 1.00 0.00 ATOM 752 CD2 LEU 96 2.258 13.138 12.313 1.00 0.00 ATOM 753 O LEU 96 6.262 15.837 14.806 1.00 0.00 ATOM 754 C LEU 96 5.109 15.411 14.910 1.00 0.00 ATOM 755 N SER 97 4.499 15.230 16.077 1.00 0.00 ATOM 756 CA SER 97 5.167 15.458 17.351 1.00 0.00 ATOM 757 CB SER 97 4.229 16.171 18.328 1.00 0.00 ATOM 758 OG SER 97 3.113 15.359 18.647 1.00 0.00 ATOM 759 O SER 97 4.994 13.076 17.525 1.00 0.00 ATOM 760 C SER 97 5.564 14.097 17.909 1.00 0.00 ATOM 761 N ASP 98 6.537 14.079 18.812 1.00 0.00 ATOM 762 CA ASP 98 6.968 12.818 19.401 1.00 0.00 ATOM 763 CB ASP 98 8.185 13.129 20.313 1.00 0.00 ATOM 764 CG ASP 98 9.482 13.317 19.570 1.00 0.00 ATOM 765 OD1 ASP 98 9.582 13.156 18.355 1.00 0.00 ATOM 766 OD2 ASP 98 10.458 13.601 20.269 1.00 0.00 ATOM 767 O ASP 98 5.703 10.957 20.218 1.00 0.00 ATOM 768 C ASP 98 5.833 12.181 20.187 1.00 0.00 ATOM 769 N LYS 99 4.990 13.004 20.801 1.00 0.00 ATOM 770 CA LYS 99 3.878 12.469 21.574 1.00 0.00 ATOM 771 CB LYS 99 3.109 13.599 22.260 1.00 0.00 ATOM 772 CG LYS 99 3.882 14.293 23.369 1.00 0.00 ATOM 773 CD LYS 99 3.071 15.421 23.986 1.00 0.00 ATOM 774 CE LYS 99 3.829 16.090 25.122 1.00 0.00 ATOM 775 NZ LYS 99 3.058 17.215 25.717 1.00 0.00 ATOM 776 O LYS 99 2.129 10.893 21.144 1.00 0.00 ATOM 777 C LYS 99 2.916 11.710 20.666 1.00 0.00 ATOM 778 N GLU 100 2.946 12.145 19.345 1.00 0.00 ATOM 779 CA GLU 100 2.000 11.510 18.430 1.00 0.00 ATOM 780 CB GLU 100 1.872 12.326 17.142 1.00 0.00 ATOM 781 CG GLU 100 1.242 13.695 17.335 1.00 0.00 ATOM 782 CD GLU 100 1.150 14.482 16.042 1.00 0.00 ATOM 783 OE1 GLU 100 1.534 13.937 14.987 1.00 0.00 ATOM 784 OE2 GLU 100 0.693 15.644 16.086 1.00 0.00 ATOM 785 O GLU 100 1.606 9.164 18.185 1.00 0.00 ATOM 786 C GLU 100 2.428 10.078 18.206 1.00 0.00 ATOM 787 N ILE 101 3.678 9.823 18.138 1.00 0.00 ATOM 788 CA ILE 101 4.158 8.499 17.761 1.00 0.00 ATOM 789 CB ILE 101 5.439 8.690 16.830 1.00 0.00 ATOM 790 CG1 ILE 101 5.098 9.574 15.621 1.00 0.00 ATOM 791 CG2 ILE 101 5.967 7.340 16.347 1.00 0.00 ATOM 792 CD1 ILE 101 4.015 8.953 14.677 1.00 0.00 ATOM 793 O ILE 101 4.246 6.309 18.730 1.00 0.00 ATOM 794 C ILE 101 4.457 7.509 18.880 1.00 0.00 ATOM 795 N LYS 102 5.250 8.396 19.792 1.00 0.00 ATOM 796 CA LYS 102 5.906 7.626 20.843 1.00 0.00 ATOM 797 CB LYS 102 6.759 8.540 21.725 1.00 0.00 ATOM 798 CG LYS 102 8.002 9.081 21.037 1.00 0.00 ATOM 799 CD LYS 102 8.804 9.976 21.968 1.00 0.00 ATOM 800 CE LYS 102 10.029 10.544 21.269 1.00 0.00 ATOM 801 NZ LYS 102 10.812 11.442 22.163 1.00 0.00 ATOM 802 O LYS 102 5.299 5.809 22.286 1.00 0.00 ATOM 803 C LYS 102 4.963 6.886 21.799 1.00 0.00 ATOM 804 N ASP 103 3.777 7.474 22.075 1.00 0.00 ATOM 805 CA ASP 103 2.833 6.750 22.933 1.00 0.00 ATOM 806 CB ASP 103 1.541 7.552 23.104 1.00 0.00 ATOM 807 CG ASP 103 1.720 8.759 24.003 1.00 0.00 ATOM 808 OD1 ASP 103 2.766 8.848 24.679 1.00 0.00 ATOM 809 OD2 ASP 103 0.813 9.619 24.031 1.00 0.00 ATOM 810 O ASP 103 2.397 4.397 23.132 1.00 0.00 ATOM 811 C ASP 103 2.457 5.376 22.388 1.00 0.00 ATOM 812 N MET 104 2.241 5.330 21.055 1.00 0.00 ATOM 813 CA MET 104 1.955 4.092 20.340 1.00 0.00 ATOM 814 CB MET 104 1.501 4.370 18.917 1.00 0.00 ATOM 815 CG MET 104 0.175 5.127 18.786 1.00 0.00 ATOM 816 SD MET 104 -0.296 5.585 17.034 1.00 0.00 ATOM 817 CE MET 104 -0.519 3.847 16.375 1.00 0.00 ATOM 818 O MET 104 2.984 1.939 20.517 1.00 0.00 ATOM 819 C MET 104 3.152 3.154 20.431 1.00 0.00 ATOM 820 N TYR 105 4.360 3.709 20.374 1.00 0.00 ATOM 821 CA TYR 105 5.547 2.878 20.491 1.00 0.00 ATOM 822 CB TYR 105 6.819 3.658 20.320 1.00 0.00 ATOM 823 CG TYR 105 7.281 3.706 18.879 1.00 0.00 ATOM 824 CD1 TYR 105 6.399 4.044 17.853 1.00 0.00 ATOM 825 CD2 TYR 105 8.597 3.396 18.533 1.00 0.00 ATOM 826 CE1 TYR 105 6.809 4.068 16.522 1.00 0.00 ATOM 827 CE2 TYR 105 9.019 3.419 17.202 1.00 0.00 ATOM 828 CZ TYR 105 8.119 3.755 16.202 1.00 0.00 ATOM 829 OH TYR 105 8.520 3.765 14.886 1.00 0.00 ATOM 830 O TYR 105 5.844 1.012 21.973 1.00 0.00 ATOM 831 C TYR 105 5.571 2.212 21.864 1.00 0.00 ATOM 832 N ARG 106 5.262 2.979 22.838 1.00 0.00 ATOM 833 CA ARG 106 5.247 2.450 24.200 1.00 0.00 ATOM 834 CB ARG 106 4.951 3.581 25.187 1.00 0.00 ATOM 835 CG ARG 106 6.088 4.578 25.348 1.00 0.00 ATOM 836 CD ARG 106 5.700 5.714 26.279 1.00 0.00 ATOM 837 NE ARG 106 6.781 6.683 26.441 1.00 0.00 ATOM 838 CZ ARG 106 6.676 7.809 27.137 1.00 0.00 ATOM 839 NH1 ARG 106 7.713 8.631 27.229 1.00 0.00 ATOM 840 NH2 ARG 106 5.535 8.112 27.741 1.00 0.00 ATOM 841 O ARG 106 4.392 0.385 25.044 1.00 0.00 ATOM 842 C ARG 106 4.177 1.379 24.359 1.00 0.00 ATOM 843 N GLN 107 3.061 1.610 23.747 1.00 0.00 ATOM 844 CA GLN 107 1.968 0.649 23.834 1.00 0.00 ATOM 845 CB GLN 107 0.739 1.175 23.089 1.00 0.00 ATOM 846 CG GLN 107 0.071 2.365 23.759 1.00 0.00 ATOM 847 CD GLN 107 -1.071 2.928 22.937 1.00 0.00 ATOM 848 OE1 GLN 107 -1.318 2.489 21.814 1.00 0.00 ATOM 849 NE2 GLN 107 -1.774 3.907 23.495 1.00 0.00 ATOM 850 O GLN 107 1.949 -1.749 23.735 1.00 0.00 ATOM 851 C GLN 107 2.351 -0.700 23.232 1.00 0.00 ATOM 852 N GLY 108 3.123 -0.437 22.106 1.00 0.00 ATOM 853 CA GLY 108 3.539 -1.657 21.421 1.00 0.00 ATOM 854 O GLY 108 5.456 -3.080 21.366 1.00 0.00 ATOM 855 C GLY 108 4.820 -2.214 21.989 1.00 0.00 ATOM 856 N LYS 109 5.162 -1.838 23.214 1.00 0.00 ATOM 857 CA LYS 109 6.399 -2.252 23.865 1.00 0.00 ATOM 858 CB LYS 109 6.110 -3.704 24.250 1.00 0.00 ATOM 859 CG LYS 109 4.875 -3.882 25.118 1.00 0.00 ATOM 860 CD LYS 109 4.714 -5.327 25.561 1.00 0.00 ATOM 861 CE LYS 109 3.423 -5.526 26.337 1.00 0.00 ATOM 862 NZ LYS 109 3.265 -6.933 26.801 1.00 0.00 ATOM 863 O LYS 109 8.582 -3.066 23.353 1.00 0.00 ATOM 864 C LYS 109 7.700 -2.251 23.091 1.00 0.00 ATOM 865 N ILE 110 7.836 -1.316 22.161 1.00 0.00 ATOM 866 CA ILE 110 9.056 -1.234 21.359 1.00 0.00 ATOM 867 CB ILE 110 8.788 -0.454 20.056 1.00 0.00 ATOM 868 CG1 ILE 110 7.773 -1.219 19.204 1.00 0.00 ATOM 869 CG2 ILE 110 10.084 -0.233 19.301 1.00 0.00 ATOM 870 CD1 ILE 110 7.389 -0.503 17.933 1.00 0.00 ATOM 871 O ILE 110 10.044 0.639 22.500 1.00 0.00 ATOM 872 C ILE 110 10.159 -0.540 22.156 1.00 0.00 ATOM 873 N SER 111 11.233 -1.278 22.422 1.00 0.00 ATOM 874 CA SER 111 12.376 -0.760 23.166 1.00 0.00 ATOM 875 CB SER 111 13.189 -1.907 23.768 1.00 0.00 ATOM 876 OG SER 111 14.376 -1.429 24.376 1.00 0.00 ATOM 877 O SER 111 13.733 -0.521 21.210 1.00 0.00 ATOM 878 C SER 111 13.230 0.026 22.191 1.00 0.00 ATOM 879 N PHE 112 13.393 1.449 22.825 1.00 0.00 ATOM 880 CA PHE 112 14.101 2.371 21.953 1.00 0.00 ATOM 881 CB PHE 112 13.344 3.697 21.850 1.00 0.00 ATOM 882 CG PHE 112 14.030 4.722 20.990 1.00 0.00 ATOM 883 CD1 PHE 112 13.985 4.629 19.611 1.00 0.00 ATOM 884 CD2 PHE 112 14.720 5.775 21.562 1.00 0.00 ATOM 885 CE1 PHE 112 14.615 5.572 18.820 1.00 0.00 ATOM 886 CE2 PHE 112 15.351 6.718 20.771 1.00 0.00 ATOM 887 CZ PHE 112 15.301 6.618 19.406 1.00 0.00 ATOM 888 O PHE 112 15.778 3.052 23.526 1.00 0.00 ATOM 889 C PHE 112 15.510 2.754 22.359 1.00 0.00 ATOM 890 N TYR 113 16.421 2.681 21.393 1.00 0.00 ATOM 891 CA TYR 113 17.808 3.084 21.590 1.00 0.00 ATOM 892 CB TYR 113 18.757 1.960 21.168 1.00 0.00 ATOM 893 CG TYR 113 18.662 0.722 22.030 1.00 0.00 ATOM 894 CD1 TYR 113 17.841 -0.337 21.668 1.00 0.00 ATOM 895 CD2 TYR 113 19.396 0.616 23.206 1.00 0.00 ATOM 896 CE1 TYR 113 17.748 -1.473 22.450 1.00 0.00 ATOM 897 CE2 TYR 113 19.316 -0.511 24.001 1.00 0.00 ATOM 898 CZ TYR 113 18.483 -1.560 23.612 1.00 0.00 ATOM 899 OH TYR 113 18.393 -2.690 24.394 1.00 0.00 ATOM 900 O TYR 113 17.656 4.346 19.557 1.00 0.00 ATOM 901 C TYR 113 18.031 4.315 20.730 1.00 0.00 ATOM 902 N GLU 114 18.715 5.409 21.384 1.00 0.00 ATOM 903 CA GLU 114 19.037 6.635 20.668 1.00 0.00 ATOM 904 CB GLU 114 18.248 7.837 21.293 1.00 0.00 ATOM 905 CG GLU 114 18.739 8.239 22.667 1.00 0.00 ATOM 906 CD GLU 114 17.942 9.404 23.241 1.00 0.00 ATOM 907 OE1 GLU 114 17.263 10.108 22.465 1.00 0.00 ATOM 908 OE2 GLU 114 18.004 9.624 24.465 1.00 0.00 ATOM 909 O GLU 114 21.333 6.506 21.346 1.00 0.00 ATOM 910 C GLU 114 20.536 6.666 20.421 1.00 0.00 ATOM 911 N VAL 115 20.906 6.795 19.154 1.00 0.00 ATOM 912 CA VAL 115 22.301 6.850 18.749 1.00 0.00 ATOM 913 CB VAL 115 22.623 5.784 17.686 1.00 0.00 ATOM 914 CG1 VAL 115 24.080 5.881 17.258 1.00 0.00 ATOM 915 CG2 VAL 115 22.376 4.389 18.240 1.00 0.00 ATOM 916 O VAL 115 21.709 8.522 17.332 1.00 0.00 ATOM 917 C VAL 115 22.560 8.292 18.247 1.00 0.00 ATOM 918 N TRP 116 23.459 9.047 18.841 1.00 0.00 ATOM 919 CA TRP 116 23.651 10.339 18.350 1.00 0.00 ATOM 920 CB TRP 116 23.011 11.639 19.091 1.00 0.00 ATOM 921 CG TRP 116 21.512 11.444 19.338 1.00 0.00 ATOM 922 CD1 TRP 116 20.901 10.511 20.254 1.00 0.00 ATOM 923 CD2 TRP 116 20.492 12.368 18.923 1.00 0.00 ATOM 924 CE2 TRP 116 19.391 11.788 19.569 1.00 0.00 ATOM 925 CE3 TRP 116 20.566 13.516 18.159 1.00 0.00 ATOM 926 NE1 TRP 116 19.543 10.653 20.294 1.00 0.00 ATOM 927 CZ2 TRP 116 18.147 12.428 19.376 1.00 0.00 ATOM 928 CZ3 TRP 116 19.348 14.247 17.988 1.00 0.00 ATOM 929 CH2 TRP 116 18.076 13.626 18.544 1.00 0.00 ATOM 930 O TRP 116 25.930 10.583 18.969 1.00 0.00 ATOM 931 C TRP 116 25.121 10.414 18.052 1.00 0.00 TER END