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 We had no success at fold-recognition with target T0242, and ended up METHOD assembling sheets more or less by hand. METHOD METHOD This is try20-opt2, our best-scoring model with an unconstrained METHOD undertaker cost function, though we could not get the predicted fifth METHOD strand to attach to the sheet (possibly the topology of the sheet is METHOD still wrong). REMARK 6 REMARK 6 T0242 model 1 Mon Aug 23 11:28:23 2004 MODEL 1 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 -1.823 -5.967 14.295 1.00 0.00 ATOM 2 CA MET 1 -1.832 -6.160 12.847 1.00 0.00 ATOM 3 CB MET 1 -3.000 -5.320 12.249 1.00 0.00 ATOM 4 CG MET 1 -4.392 -5.774 12.694 1.00 0.00 ATOM 5 SD MET 1 -5.691 -4.807 11.923 1.00 0.00 ATOM 6 CE MET 1 -5.248 -3.098 12.164 1.00 0.00 ATOM 7 O MET 1 -0.365 -6.123 10.953 1.00 0.00 ATOM 8 C MET 1 -0.554 -5.752 12.112 1.00 0.00 ATOM 9 N GLY 2 0.259 -4.905 12.729 1.00 0.00 ATOM 10 CA GLY 2 1.497 -4.446 12.109 1.00 0.00 ATOM 11 O GLY 2 1.952 -3.381 14.200 1.00 0.00 ATOM 12 C GLY 2 2.422 -3.835 13.161 1.00 0.00 ATOM 13 N LYS 3 3.713 -4.004 12.961 1.00 0.00 ATOM 14 CA LYS 3 4.732 -3.429 13.830 1.00 0.00 ATOM 15 CB LYS 3 5.508 -4.581 14.480 1.00 0.00 ATOM 16 CG LYS 3 4.371 -5.329 15.133 1.00 0.00 ATOM 17 CD LYS 3 4.689 -6.244 16.248 1.00 0.00 ATOM 18 CE LYS 3 3.506 -7.186 16.423 1.00 0.00 ATOM 19 NZ LYS 3 2.222 -6.603 15.857 1.00 0.00 ATOM 20 O LYS 3 5.977 -2.597 11.956 1.00 0.00 ATOM 21 C LYS 3 5.556 -2.382 13.091 1.00 0.00 ATOM 22 N VAL 4 5.850 -1.279 13.785 1.00 0.00 ATOM 23 CA VAL 4 6.600 -0.195 13.163 1.00 0.00 ATOM 24 CB VAL 4 6.160 1.219 13.795 1.00 0.00 ATOM 25 CG1 VAL 4 6.758 1.246 15.181 1.00 0.00 ATOM 26 CG2 VAL 4 6.651 2.399 12.976 1.00 0.00 ATOM 27 O VAL 4 8.870 -0.434 13.872 1.00 0.00 ATOM 28 C VAL 4 8.086 -0.404 12.923 1.00 0.00 ATOM 29 N PHE 5 8.575 -0.738 11.348 1.00 0.00 ATOM 30 CA PHE 5 9.976 -1.007 10.955 1.00 0.00 ATOM 31 CB PHE 5 10.629 -2.292 10.359 1.00 0.00 ATOM 32 CG PHE 5 10.300 -2.514 8.891 1.00 0.00 ATOM 33 CD1 PHE 5 10.877 -1.717 7.901 1.00 0.00 ATOM 34 CD2 PHE 5 9.440 -3.542 8.515 1.00 0.00 ATOM 35 CE1 PHE 5 10.603 -1.938 6.548 1.00 0.00 ATOM 36 CE2 PHE 5 9.156 -3.778 7.156 1.00 0.00 ATOM 37 CZ PHE 5 9.737 -2.974 6.173 1.00 0.00 ATOM 38 O PHE 5 9.711 0.553 9.162 1.00 0.00 ATOM 39 C PHE 5 10.354 0.233 10.160 1.00 0.00 ATOM 40 N LEU 6 11.328 0.989 10.660 1.00 0.00 ATOM 41 CA LEU 6 11.790 2.189 9.975 1.00 0.00 ATOM 42 CB LEU 6 11.914 3.332 10.999 1.00 0.00 ATOM 43 CG LEU 6 12.545 4.621 10.448 1.00 0.00 ATOM 44 CD1 LEU 6 11.608 5.266 9.438 1.00 0.00 ATOM 45 CD2 LEU 6 12.840 5.582 11.590 1.00 0.00 ATOM 46 O LEU 6 14.090 1.487 9.997 1.00 0.00 ATOM 47 C LEU 6 13.146 1.952 9.328 1.00 0.00 ATOM 48 N THR 7 13.167 2.230 8.041 1.00 0.00 ATOM 49 CA THR 7 14.382 2.101 7.259 1.00 0.00 ATOM 50 CB THR 7 14.785 1.167 6.495 1.00 0.00 ATOM 51 CG2 THR 7 15.362 1.564 5.141 1.00 0.00 ATOM 52 OG1 THR 7 15.889 0.715 7.300 1.00 0.00 ATOM 53 O THR 7 13.821 4.167 6.178 1.00 0.00 ATOM 54 C THR 7 14.693 3.495 6.724 1.00 0.00 ATOM 55 N ASN 8 15.929 3.904 6.944 1.00 0.00 ATOM 56 CA ASN 8 16.314 5.224 6.451 1.00 0.00 ATOM 57 CB ASN 8 17.127 5.897 7.552 1.00 0.00 ATOM 58 CG ASN 8 18.392 5.113 7.859 1.00 0.00 ATOM 59 ND2 ASN 8 19.300 5.717 8.625 1.00 0.00 ATOM 60 OD1 ASN 8 18.544 3.975 7.413 1.00 0.00 ATOM 61 O ASN 8 17.533 5.784 4.484 1.00 0.00 ATOM 62 C ASN 8 17.080 4.874 5.195 1.00 0.00 ATOM 63 N ALA 9 17.426 3.518 4.901 1.00 0.00 ATOM 64 CA ALA 9 18.285 3.060 3.816 1.00 0.00 ATOM 65 CB ALA 9 19.611 3.568 4.360 1.00 0.00 ATOM 66 O ALA 9 17.938 0.831 4.622 1.00 0.00 ATOM 67 C ALA 9 18.108 1.563 3.643 1.00 0.00 ATOM 68 N PHE 10 18.245 1.107 2.368 1.00 0.00 ATOM 69 CA PHE 10 18.124 -0.311 2.060 1.00 0.00 ATOM 70 CB PHE 10 17.168 -0.829 1.280 1.00 0.00 ATOM 71 CG PHE 10 17.472 -2.235 0.853 1.00 0.00 ATOM 72 CD1 PHE 10 17.235 -3.308 1.714 1.00 0.00 ATOM 73 CD2 PHE 10 17.974 -2.474 -0.405 1.00 0.00 ATOM 74 CE1 PHE 10 17.505 -4.617 1.305 1.00 0.00 ATOM 75 CE2 PHE 10 18.244 -3.786 -0.832 1.00 0.00 ATOM 76 CZ PHE 10 18.012 -4.839 0.018 1.00 0.00 ATOM 77 O PHE 10 20.398 -0.658 1.418 1.00 0.00 ATOM 78 C PHE 10 19.467 -1.016 2.128 1.00 0.00 ATOM 79 N SER 11 19.564 -1.998 3.116 1.00 0.00 ATOM 80 CA SER 11 20.821 -2.692 3.349 1.00 0.00 ATOM 81 CB SER 11 21.398 -2.083 4.629 1.00 0.00 ATOM 82 OG SER 11 22.639 -2.679 4.960 1.00 0.00 ATOM 83 O SER 11 19.446 -4.615 3.734 1.00 0.00 ATOM 84 C SER 11 20.513 -4.182 3.294 1.00 0.00 ATOM 85 N ILE 12 21.419 -5.013 2.830 1.00 0.00 ATOM 86 CA ILE 12 21.181 -6.448 2.790 1.00 0.00 ATOM 87 CB ILE 12 22.364 -7.176 2.124 1.00 0.00 ATOM 88 CG1 ILE 12 22.453 -6.807 0.640 1.00 0.00 ATOM 89 CG2 ILE 12 22.220 -8.684 2.292 1.00 0.00 ATOM 90 CD1 ILE 12 23.717 -7.294 -0.033 1.00 0.00 ATOM 91 O ILE 12 20.129 -7.942 4.351 1.00 0.00 ATOM 92 C ILE 12 21.028 -7.109 4.166 1.00 0.00 ATOM 93 N ASN 13 21.913 -6.788 5.264 1.00 0.00 ATOM 94 CA ASN 13 21.882 -7.389 6.590 1.00 0.00 ATOM 95 CB ASN 13 22.936 -6.732 7.475 1.00 0.00 ATOM 96 CG ASN 13 24.335 -7.184 7.086 1.00 0.00 ATOM 97 ND2 ASN 13 24.418 -8.242 6.276 1.00 0.00 ATOM 98 OD1 ASN 13 25.325 -6.587 7.512 1.00 0.00 ATOM 99 O ASN 13 19.986 -8.167 7.780 1.00 0.00 ATOM 100 C ASN 13 20.533 -7.205 7.244 1.00 0.00 ATOM 101 N MET 14 19.963 -5.989 7.109 1.00 0.00 ATOM 102 CA MET 14 18.647 -5.697 7.659 1.00 0.00 ATOM 103 CB MET 14 18.304 -4.202 7.576 1.00 0.00 ATOM 104 CG MET 14 18.222 -3.605 6.187 1.00 0.00 ATOM 105 SD MET 14 17.290 -2.045 6.217 1.00 0.00 ATOM 106 CE MET 14 15.622 -2.666 6.121 1.00 0.00 ATOM 107 O MET 14 16.594 -6.924 7.635 1.00 0.00 ATOM 108 C MET 14 17.520 -6.455 6.978 1.00 0.00 ATOM 109 N LEU 15 17.567 -6.589 5.631 1.00 0.00 ATOM 110 CA LEU 15 16.542 -7.292 4.875 1.00 0.00 ATOM 111 CB LEU 15 16.740 -7.019 3.350 1.00 0.00 ATOM 112 CG LEU 15 15.673 -7.594 2.408 1.00 0.00 ATOM 113 CD1 LEU 15 14.306 -6.984 2.725 1.00 0.00 ATOM 114 CD2 LEU 15 16.059 -7.352 0.954 1.00 0.00 ATOM 115 O LEU 15 15.399 -9.384 5.177 1.00 0.00 ATOM 116 C LEU 15 16.467 -8.773 5.234 1.00 0.00 ATOM 117 N LYS 16 17.675 -9.301 5.700 1.00 0.00 ATOM 118 CA LYS 16 17.777 -10.693 6.119 1.00 0.00 ATOM 119 CB LYS 16 19.065 -11.291 5.424 1.00 0.00 ATOM 120 CG LYS 16 18.920 -11.416 3.917 1.00 0.00 ATOM 121 CD LYS 16 20.258 -11.947 3.355 1.00 0.00 ATOM 122 CE LYS 16 20.094 -12.087 1.833 1.00 0.00 ATOM 123 NZ LYS 16 21.407 -12.405 1.193 1.00 0.00 ATOM 124 O LYS 16 17.351 -11.951 8.119 1.00 0.00 ATOM 125 C LYS 16 17.506 -10.839 7.616 1.00 0.00 ATOM 126 N GLU 17 17.485 -9.714 8.319 1.00 0.00 ATOM 127 CA GLU 17 17.211 -9.710 9.751 1.00 0.00 ATOM 128 CB GLU 17 17.760 -8.754 10.546 1.00 0.00 ATOM 129 CG GLU 17 18.981 -9.439 11.150 1.00 0.00 ATOM 130 CD GLU 17 18.630 -10.788 11.759 1.00 0.00 ATOM 131 OE1 GLU 17 17.928 -10.800 12.786 1.00 0.00 ATOM 132 OE2 GLU 17 19.013 -11.837 11.200 1.00 0.00 ATOM 133 O GLU 17 14.914 -9.021 9.747 1.00 0.00 ATOM 134 C GLU 17 15.724 -9.901 10.030 1.00 0.00 ATOM 135 N PHE 18 15.377 -11.094 10.513 1.00 0.00 ATOM 136 CA PHE 18 13.967 -11.401 10.786 1.00 0.00 ATOM 137 CB PHE 18 13.284 -11.971 9.535 1.00 0.00 ATOM 138 CG PHE 18 13.644 -13.388 9.174 1.00 0.00 ATOM 139 CD1 PHE 18 12.995 -14.494 9.698 1.00 0.00 ATOM 140 CD2 PHE 18 14.699 -13.643 8.298 1.00 0.00 ATOM 141 CE1 PHE 18 13.379 -15.813 9.418 1.00 0.00 ATOM 142 CE2 PHE 18 15.067 -14.940 7.985 1.00 0.00 ATOM 143 CZ PHE 18 14.433 -16.021 8.542 1.00 0.00 ATOM 144 O PHE 18 14.824 -13.093 12.298 1.00 0.00 ATOM 145 C PHE 18 13.899 -12.353 11.971 1.00 0.00 ATOM 146 N PRO 19 11.152 -11.107 16.516 1.00 0.00 ATOM 147 CA PRO 19 10.928 -10.547 17.850 1.00 0.00 ATOM 148 CB PRO 19 9.337 -10.647 17.948 1.00 0.00 ATOM 149 CG PRO 19 9.436 -12.153 17.993 1.00 0.00 ATOM 150 CD PRO 19 10.462 -12.499 16.898 1.00 0.00 ATOM 151 O PRO 19 10.946 -10.407 20.252 1.00 0.00 ATOM 152 C PRO 19 11.333 -9.915 19.194 1.00 0.00 ATOM 153 N THR 20 11.988 -8.920 19.216 1.00 0.00 ATOM 154 CA THR 20 12.341 -8.215 20.448 1.00 0.00 ATOM 155 CB THR 20 13.733 -8.541 20.923 1.00 0.00 ATOM 156 CG2 THR 20 13.944 -10.015 21.023 1.00 0.00 ATOM 157 OG1 THR 20 14.727 -7.971 20.043 1.00 0.00 ATOM 158 O THR 20 12.158 -6.317 18.991 1.00 0.00 ATOM 159 C THR 20 11.834 -6.825 20.058 1.00 0.00 ATOM 160 N THR 21 10.953 -6.261 20.982 1.00 0.00 ATOM 161 CA THR 21 10.346 -4.953 20.748 1.00 0.00 ATOM 162 CB THR 21 9.567 -4.747 22.339 1.00 0.00 ATOM 163 CG2 THR 21 9.435 -6.033 23.108 1.00 0.00 ATOM 164 OG1 THR 21 10.589 -4.000 23.020 1.00 0.00 ATOM 165 O THR 21 11.225 -2.897 19.820 1.00 0.00 ATOM 166 C THR 21 11.401 -3.862 20.573 1.00 0.00 ATOM 167 N ILE 22 12.504 -4.009 21.383 1.00 0.00 ATOM 168 CA ILE 22 13.528 -2.970 21.343 1.00 0.00 ATOM 169 CB ILE 22 14.954 -3.863 21.690 1.00 0.00 ATOM 170 CG1 ILE 22 14.729 -5.155 22.520 1.00 0.00 ATOM 171 CG2 ILE 22 16.109 -3.091 22.322 1.00 0.00 ATOM 172 CD1 ILE 22 15.831 -6.167 22.447 1.00 0.00 ATOM 173 O ILE 22 14.119 -1.288 19.720 1.00 0.00 ATOM 174 C ILE 22 14.175 -2.472 20.054 1.00 0.00 ATOM 175 N THR 23 15.021 -3.142 18.922 1.00 0.00 ATOM 176 CA THR 23 15.687 -2.749 17.691 1.00 0.00 ATOM 177 CB THR 23 17.139 -3.063 17.655 1.00 0.00 ATOM 178 CG2 THR 23 17.815 -2.017 18.534 1.00 0.00 ATOM 179 OG1 THR 23 17.544 -4.331 18.186 1.00 0.00 ATOM 180 O THR 23 14.286 -4.686 17.856 1.00 0.00 ATOM 181 C THR 23 14.872 -3.898 17.108 1.00 0.00 ATOM 182 N ILE 24 14.852 -4.054 15.820 1.00 0.00 ATOM 183 CA ILE 24 14.114 -5.135 15.187 1.00 0.00 ATOM 184 CB ILE 24 13.280 -4.460 14.030 1.00 0.00 ATOM 185 CG1 ILE 24 12.327 -5.510 13.455 1.00 0.00 ATOM 186 CG2 ILE 24 14.102 -3.780 12.904 1.00 0.00 ATOM 187 CD1 ILE 24 11.242 -4.998 12.519 1.00 0.00 ATOM 188 O ILE 24 15.918 -6.111 13.926 1.00 0.00 ATOM 189 C ILE 24 14.996 -6.270 14.728 1.00 0.00 ATOM 190 N ASP 25 14.638 -7.501 15.346 1.00 0.00 ATOM 191 CA ASP 25 15.402 -8.715 15.085 1.00 0.00 ATOM 192 CB ASP 25 15.189 -9.716 16.204 1.00 0.00 ATOM 193 CG ASP 25 16.005 -9.386 17.432 1.00 0.00 ATOM 194 OD1 ASP 25 15.683 -9.940 18.504 1.00 0.00 ATOM 195 OD2 ASP 25 16.959 -8.590 17.420 1.00 0.00 ATOM 196 O ASP 25 15.530 -10.045 13.078 1.00 0.00 ATOM 197 C ASP 25 14.818 -9.369 13.821 1.00 0.00 ATOM 198 N LYS 26 13.510 -9.183 13.663 1.00 0.00 ATOM 199 CA LYS 26 12.789 -9.786 12.536 1.00 0.00 ATOM 200 CB LYS 26 11.825 -10.851 13.033 1.00 0.00 ATOM 201 CG LYS 26 11.012 -11.479 11.907 1.00 0.00 ATOM 202 CD LYS 26 10.602 -12.918 12.230 1.00 0.00 ATOM 203 CE LYS 26 9.703 -12.995 13.451 1.00 0.00 ATOM 204 NZ LYS 26 9.313 -14.400 13.759 1.00 0.00 ATOM 205 O LYS 26 11.248 -7.941 12.528 1.00 0.00 ATOM 206 C LYS 26 11.977 -8.676 11.849 1.00 0.00 ATOM 207 N LEU 27 12.066 -8.623 10.528 1.00 0.00 ATOM 208 CA LEU 27 11.332 -7.703 9.687 1.00 0.00 ATOM 209 CB LEU 27 12.299 -6.843 8.901 1.00 0.00 ATOM 210 CG LEU 27 13.290 -5.950 9.656 1.00 0.00 ATOM 211 CD1 LEU 27 14.266 -5.310 8.684 1.00 0.00 ATOM 212 CD2 LEU 27 12.517 -4.867 10.413 1.00 0.00 ATOM 213 O LEU 27 11.046 -9.633 8.318 1.00 0.00 ATOM 214 C LEU 27 10.640 -8.507 8.607 1.00 0.00 ATOM 215 N ASP 28 9.612 -7.969 8.006 1.00 0.00 ATOM 216 CA ASP 28 8.932 -8.599 6.877 1.00 0.00 ATOM 217 CB ASP 28 7.364 -8.575 7.118 1.00 0.00 ATOM 218 CG ASP 28 6.562 -9.484 6.202 1.00 0.00 ATOM 219 OD1 ASP 28 6.640 -10.726 6.363 1.00 0.00 ATOM 220 OD2 ASP 28 5.858 -8.963 5.317 1.00 0.00 ATOM 221 O ASP 28 9.587 -6.988 5.241 1.00 0.00 ATOM 222 C ASP 28 9.691 -8.152 5.637 1.00 0.00 ATOM 223 N GLU 29 10.440 -9.076 5.057 1.00 0.00 ATOM 224 CA GLU 29 11.268 -8.789 3.885 1.00 0.00 ATOM 225 CB GLU 29 11.972 -9.925 3.338 1.00 0.00 ATOM 226 CG GLU 29 11.083 -11.071 2.931 1.00 0.00 ATOM 227 CD GLU 29 11.863 -12.337 2.670 1.00 0.00 ATOM 228 OE1 GLU 29 12.274 -12.975 3.660 1.00 0.00 ATOM 229 OE2 GLU 29 12.075 -12.672 1.486 1.00 0.00 ATOM 230 O GLU 29 10.825 -7.312 2.052 1.00 0.00 ATOM 231 C GLU 29 10.427 -8.258 2.733 1.00 0.00 ATOM 232 N GLU 30 9.198 -8.812 2.497 1.00 0.00 ATOM 233 CA GLU 30 8.331 -8.430 1.389 1.00 0.00 ATOM 234 CB GLU 30 7.220 -9.494 1.249 1.00 0.00 ATOM 235 CG GLU 30 7.701 -10.908 0.972 1.00 0.00 ATOM 236 CD GLU 30 8.265 -11.149 -0.418 1.00 0.00 ATOM 237 OE1 GLU 30 8.211 -10.210 -1.239 1.00 0.00 ATOM 238 OE2 GLU 30 8.783 -12.272 -0.627 1.00 0.00 ATOM 239 O GLU 30 7.669 -6.231 0.644 1.00 0.00 ATOM 240 C GLU 30 7.793 -7.021 1.581 1.00 0.00 ATOM 241 N ASP 31 7.481 -6.626 2.798 1.00 0.00 ATOM 242 CA ASP 31 6.890 -5.311 3.019 1.00 0.00 ATOM 243 CB ASP 31 6.557 -5.060 4.457 1.00 0.00 ATOM 244 CG ASP 31 5.279 -5.794 4.883 1.00 0.00 ATOM 245 OD1 ASP 31 4.515 -6.311 4.066 1.00 0.00 ATOM 246 OD2 ASP 31 5.079 -5.853 6.138 1.00 0.00 ATOM 247 O ASP 31 7.471 -3.237 1.957 1.00 0.00 ATOM 248 C ASP 31 7.857 -4.198 2.620 1.00 0.00 ATOM 249 N PHE 32 9.102 -4.374 3.053 1.00 0.00 ATOM 250 CA PHE 32 10.149 -3.415 2.717 1.00 0.00 ATOM 251 CB PHE 32 11.452 -3.774 3.433 1.00 0.00 ATOM 252 CG PHE 32 12.509 -2.708 3.339 1.00 0.00 ATOM 253 CD1 PHE 32 12.160 -1.382 3.136 1.00 0.00 ATOM 254 CD2 PHE 32 13.852 -3.033 3.454 1.00 0.00 ATOM 255 CE1 PHE 32 13.130 -0.400 3.050 1.00 0.00 ATOM 256 CE2 PHE 32 14.825 -2.054 3.369 1.00 0.00 ATOM 257 CZ PHE 32 14.461 -0.739 3.168 1.00 0.00 ATOM 258 O PHE 32 10.511 -2.309 0.627 1.00 0.00 ATOM 259 C PHE 32 10.364 -3.380 1.212 1.00 0.00 ATOM 260 N CYS 33 10.361 -4.535 0.565 1.00 0.00 ATOM 261 CA CYS 33 10.556 -4.594 -0.876 1.00 0.00 ATOM 262 CB CYS 33 10.782 -6.036 -1.316 1.00 0.00 ATOM 263 SG CYS 33 12.169 -6.769 -0.518 1.00 0.00 ATOM 264 O CYS 33 9.716 -3.233 -2.666 1.00 0.00 ATOM 265 C CYS 33 9.440 -3.915 -1.680 1.00 0.00 ATOM 266 N LEU 34 8.256 -4.120 -1.245 1.00 0.00 ATOM 267 CA LEU 34 7.112 -3.548 -1.943 1.00 0.00 ATOM 268 CB LEU 34 5.794 -4.156 -1.442 1.00 0.00 ATOM 269 CG LEU 34 5.463 -5.571 -1.921 1.00 0.00 ATOM 270 CD1 LEU 34 6.649 -6.524 -1.892 1.00 0.00 ATOM 271 CD2 LEU 34 4.257 -6.187 -1.226 1.00 0.00 ATOM 272 O LEU 34 6.829 -1.357 -2.863 1.00 0.00 ATOM 273 C LEU 34 7.113 -2.023 -1.871 1.00 0.00 ATOM 274 N LYS 35 7.445 -1.261 -0.759 1.00 0.00 ATOM 275 CA LYS 35 7.351 0.184 -0.618 1.00 0.00 ATOM 276 CB LYS 35 7.069 0.496 0.906 1.00 0.00 ATOM 277 CG LYS 35 5.828 -0.189 1.482 1.00 0.00 ATOM 278 CD LYS 35 4.551 0.308 0.822 1.00 0.00 ATOM 279 CE LYS 35 3.366 -0.551 1.218 1.00 0.00 ATOM 280 NZ LYS 35 2.101 -0.034 0.612 1.00 0.00 ATOM 281 O LYS 35 8.218 1.887 -2.086 1.00 0.00 ATOM 282 C LYS 35 8.465 0.886 -1.399 1.00 0.00 ATOM 283 N LEU 36 9.683 0.380 -1.285 1.00 0.00 ATOM 284 CA LEU 36 10.807 1.013 -1.977 1.00 0.00 ATOM 285 CB LEU 36 12.107 0.365 -1.580 1.00 0.00 ATOM 286 CG LEU 36 12.439 0.280 -0.084 1.00 0.00 ATOM 287 CD1 LEU 36 13.835 -0.298 0.084 1.00 0.00 ATOM 288 CD2 LEU 36 12.336 1.654 0.584 1.00 0.00 ATOM 289 O LEU 36 10.845 2.066 -4.132 1.00 0.00 ATOM 290 C LEU 36 10.587 1.047 -3.485 1.00 0.00 ATOM 291 N GLU 37 10.125 -0.058 -4.048 1.00 0.00 ATOM 292 CA GLU 37 9.882 -0.119 -5.491 1.00 0.00 ATOM 293 CB GLU 37 9.895 -1.678 -5.828 1.00 0.00 ATOM 294 CG GLU 37 11.011 -2.460 -5.168 1.00 0.00 ATOM 295 CD GLU 37 12.357 -1.739 -5.213 1.00 0.00 ATOM 296 OE1 GLU 37 12.615 -1.006 -6.198 1.00 0.00 ATOM 297 OE2 GLU 37 13.164 -1.909 -4.262 1.00 0.00 ATOM 298 O GLU 37 8.656 1.224 -7.054 1.00 0.00 ATOM 299 C GLU 37 8.718 0.786 -5.916 1.00 0.00 ATOM 300 N LEU 38 7.666 1.109 -5.021 1.00 0.00 ATOM 301 CA LEU 38 6.562 2.010 -5.353 1.00 0.00 ATOM 302 CB LEU 38 5.193 1.497 -4.891 1.00 0.00 ATOM 303 CG LEU 38 3.966 2.281 -5.364 1.00 0.00 ATOM 304 CD1 LEU 38 3.773 2.272 -6.872 1.00 0.00 ATOM 305 CD2 LEU 38 2.677 1.893 -4.653 1.00 0.00 ATOM 306 O LEU 38 6.207 4.367 -5.246 1.00 0.00 ATOM 307 C LEU 38 6.718 3.381 -4.717 1.00 0.00 ATOM 308 N ARG 39 7.436 3.407 -3.581 1.00 0.00 ATOM 309 CA ARG 39 7.639 4.659 -2.850 1.00 0.00 ATOM 310 CB ARG 39 7.568 4.399 -1.343 1.00 0.00 ATOM 311 CG ARG 39 7.249 5.629 -0.504 1.00 0.00 ATOM 312 CD ARG 39 5.801 6.062 -0.688 1.00 0.00 ATOM 313 NE ARG 39 5.643 6.965 -1.825 1.00 0.00 ATOM 314 CZ ARG 39 4.363 7.202 -2.090 1.00 0.00 ATOM 315 NH1 ARG 39 4.029 8.001 -3.094 1.00 0.00 ATOM 316 NH2 ARG 39 3.413 6.642 -1.351 1.00 0.00 ATOM 317 O ARG 39 9.088 6.558 -2.951 1.00 0.00 ATOM 318 C ARG 39 8.996 5.332 -3.012 1.00 0.00 ATOM 319 N LEU 40 10.105 4.520 -3.266 1.00 0.00 ATOM 320 CA LEU 40 11.432 5.086 -3.486 1.00 0.00 ATOM 321 CB LEU 40 12.541 4.060 -3.272 1.00 0.00 ATOM 322 CG LEU 40 12.858 3.676 -1.819 1.00 0.00 ATOM 323 CD1 LEU 40 13.900 2.571 -1.783 1.00 0.00 ATOM 324 CD2 LEU 40 13.292 4.910 -1.035 1.00 0.00 ATOM 325 O LEU 40 10.838 4.894 -5.805 1.00 0.00 ATOM 326 C LEU 40 11.590 5.399 -4.972 1.00 0.00 ATOM 327 N GLU 41 12.567 6.240 -5.294 1.00 0.00 ATOM 328 CA GLU 41 12.850 6.589 -6.680 1.00 0.00 ATOM 329 CB GLU 41 13.232 8.068 -6.793 1.00 0.00 ATOM 330 CG GLU 41 12.139 9.033 -6.356 1.00 0.00 ATOM 331 CD GLU 41 12.595 10.462 -6.470 1.00 0.00 ATOM 332 OE1 GLU 41 13.723 10.678 -6.837 1.00 0.00 ATOM 333 OE2 GLU 41 11.783 11.339 -6.295 1.00 0.00 ATOM 334 O GLU 41 14.953 5.464 -6.545 1.00 0.00 ATOM 335 C GLU 41 14.033 5.826 -7.269 1.00 0.00 ATOM 336 N ASP 42 14.036 5.636 -8.651 1.00 0.00 ATOM 337 CA ASP 42 15.151 4.939 -9.226 1.00 0.00 ATOM 338 CB ASP 42 15.144 5.199 -10.735 1.00 0.00 ATOM 339 CG ASP 42 13.972 4.576 -11.477 1.00 0.00 ATOM 340 OD1 ASP 42 13.287 3.769 -10.894 1.00 0.00 ATOM 341 OD2 ASP 42 13.674 5.025 -12.561 1.00 0.00 ATOM 342 O ASP 42 17.371 4.403 -8.488 1.00 0.00 ATOM 343 C ASP 42 16.526 5.284 -8.667 1.00 0.00 ATOM 344 N GLY 43 16.737 6.576 -8.343 1.00 0.00 ATOM 345 CA GLY 43 18.012 6.991 -7.782 1.00 0.00 ATOM 346 O GLY 43 19.410 5.736 -6.300 1.00 0.00 ATOM 347 C GLY 43 18.321 6.278 -6.485 1.00 0.00 ATOM 348 N THR 44 17.366 6.271 -5.555 1.00 0.00 ATOM 349 CA THR 44 17.528 5.617 -4.268 1.00 0.00 ATOM 350 CB THR 44 16.348 5.932 -3.324 1.00 0.00 ATOM 351 CG2 THR 44 16.508 5.269 -1.980 1.00 0.00 ATOM 352 OG1 THR 44 16.381 7.342 -3.117 1.00 0.00 ATOM 353 O THR 44 18.452 3.463 -3.747 1.00 0.00 ATOM 354 C THR 44 17.663 4.107 -4.437 1.00 0.00 ATOM 355 N LEU 45 16.793 3.579 -5.388 1.00 0.00 ATOM 356 CA LEU 45 16.808 2.144 -5.640 1.00 0.00 ATOM 357 CB LEU 45 15.735 1.721 -6.685 1.00 0.00 ATOM 358 CG LEU 45 14.302 2.087 -6.383 1.00 0.00 ATOM 359 CD1 LEU 45 13.399 1.552 -7.497 1.00 0.00 ATOM 360 CD2 LEU 45 13.923 1.608 -4.983 1.00 0.00 ATOM 361 O LEU 45 18.695 0.661 -5.593 1.00 0.00 ATOM 362 C LEU 45 18.201 1.685 -6.062 1.00 0.00 ATOM 363 N ILE 46 18.833 2.454 -6.948 1.00 0.00 ATOM 364 CA ILE 46 20.170 2.123 -7.424 1.00 0.00 ATOM 365 CB ILE 46 20.658 3.141 -8.470 1.00 0.00 ATOM 366 CG1 ILE 46 19.812 3.042 -9.744 1.00 0.00 ATOM 367 CG2 ILE 46 22.127 2.917 -8.783 1.00 0.00 ATOM 368 CD1 ILE 46 20.066 4.156 -10.733 1.00 0.00 ATOM 369 O ILE 46 21.945 1.116 -6.166 1.00 0.00 ATOM 370 C ILE 46 21.161 2.056 -6.266 1.00 0.00 ATOM 371 N ASN 47 21.126 3.065 -5.389 1.00 0.00 ATOM 372 CA ASN 47 22.042 3.088 -4.256 1.00 0.00 ATOM 373 CB ASN 47 21.751 4.326 -3.415 1.00 0.00 ATOM 374 CG ASN 47 22.256 5.586 -4.103 1.00 0.00 ATOM 375 ND2 ASN 47 21.814 6.748 -3.619 1.00 0.00 ATOM 376 OD1 ASN 47 23.029 5.510 -5.054 1.00 0.00 ATOM 377 O ASN 47 22.864 1.316 -2.855 1.00 0.00 ATOM 378 C ASN 47 21.881 1.855 -3.370 1.00 0.00 ATOM 379 N ALA 48 20.591 1.386 -3.150 1.00 0.00 ATOM 380 CA ALA 48 20.309 0.237 -2.299 1.00 0.00 ATOM 381 CB ALA 48 18.921 0.402 -1.676 1.00 0.00 ATOM 382 O ALA 48 20.948 -2.060 -2.558 1.00 0.00 ATOM 383 C ALA 48 20.430 -1.070 -3.075 1.00 0.00 ATOM 384 N ILE 49 19.939 -1.067 -4.310 1.00 0.00 ATOM 385 CA ILE 49 19.803 -2.295 -5.082 1.00 0.00 ATOM 386 CB ILE 49 18.343 -2.778 -5.091 1.00 0.00 ATOM 387 CG1 ILE 49 17.419 -1.861 -5.809 1.00 0.00 ATOM 388 CG2 ILE 49 17.926 -3.110 -3.676 1.00 0.00 ATOM 389 CD1 ILE 49 15.975 -2.360 -5.826 1.00 0.00 ATOM 390 O ILE 49 20.631 -1.029 -6.944 1.00 0.00 ATOM 391 C ILE 49 20.415 -2.142 -6.472 1.00 0.00 ATOM 392 N GLY 50 20.674 -3.270 -7.124 1.00 0.00 ATOM 393 CA GLY 50 21.215 -3.261 -8.481 1.00 0.00 ATOM 394 O GLY 50 18.893 -3.479 -9.094 1.00 0.00 ATOM 395 C GLY 50 20.048 -3.233 -9.461 1.00 0.00 ATOM 396 N HIS 51 20.124 -2.826 -10.827 1.00 0.00 ATOM 397 CA HIS 51 19.060 -2.824 -11.840 1.00 0.00 ATOM 398 CB HIS 51 19.455 -2.719 -13.231 1.00 0.00 ATOM 399 CG HIS 51 20.511 -3.646 -13.722 1.00 0.00 ATOM 400 CD2 HIS 51 20.482 -4.978 -13.918 1.00 0.00 ATOM 401 ND1 HIS 51 21.735 -3.230 -14.174 1.00 0.00 ATOM 402 CE1 HIS 51 22.463 -4.245 -14.584 1.00 0.00 ATOM 403 NE2 HIS 51 21.728 -5.346 -14.433 1.00 0.00 ATOM 404 O HIS 51 17.084 -4.186 -11.867 1.00 0.00 ATOM 405 C HIS 51 18.313 -4.153 -11.836 1.00 0.00 ATOM 406 N ASP 52 19.066 -5.246 -11.745 1.00 0.00 ATOM 407 CA ASP 52 18.477 -6.580 -11.733 1.00 0.00 ATOM 408 CB ASP 52 19.485 -7.693 -11.869 1.00 0.00 ATOM 409 CG ASP 52 20.589 -7.677 -10.811 1.00 0.00 ATOM 410 OD1 ASP 52 20.937 -6.611 -10.260 1.00 0.00 ATOM 411 OD2 ASP 52 21.136 -8.761 -10.538 1.00 0.00 ATOM 412 O ASP 52 16.544 -7.354 -10.569 1.00 0.00 ATOM 413 C ASP 52 17.652 -6.883 -10.497 1.00 0.00 ATOM 414 N SER 53 18.282 -6.621 -9.331 1.00 0.00 ATOM 415 CA SER 53 17.581 -6.841 -8.089 1.00 0.00 ATOM 416 CB SER 53 18.459 -6.828 -6.893 1.00 0.00 ATOM 417 OG SER 53 19.202 -5.635 -6.772 1.00 0.00 ATOM 418 O SER 53 15.602 -5.877 -7.087 1.00 0.00 ATOM 419 C SER 53 16.506 -5.759 -7.928 1.00 0.00 ATOM 420 N THR 54 16.587 -4.755 -8.801 1.00 0.00 ATOM 421 CA THR 54 15.564 -3.678 -8.705 1.00 0.00 ATOM 422 CB THR 54 16.141 -2.253 -8.985 1.00 0.00 ATOM 423 CG2 THR 54 17.372 -1.924 -8.128 1.00 0.00 ATOM 424 OG1 THR 54 16.503 -2.116 -10.372 1.00 0.00 ATOM 425 O THR 54 13.280 -3.389 -9.393 1.00 0.00 ATOM 426 C THR 54 14.388 -3.862 -9.658 1.00 0.00 ATOM 427 N ILE 55 14.554 -4.544 -10.842 1.00 0.00 ATOM 428 CA ILE 55 13.460 -4.811 -11.768 1.00 0.00 ATOM 429 CB ILE 55 14.000 -5.376 -13.114 1.00 0.00 ATOM 430 CG1 ILE 55 14.584 -4.249 -13.973 1.00 0.00 ATOM 431 CG2 ILE 55 12.878 -6.102 -13.861 1.00 0.00 ATOM 432 CD1 ILE 55 13.544 -3.459 -14.748 1.00 0.00 ATOM 433 O ILE 55 11.312 -5.722 -11.173 1.00 0.00 ATOM 434 C ILE 55 12.540 -5.826 -11.093 1.00 0.00 ATOM 435 N ASN 56 13.125 -6.779 -10.389 1.00 0.00 ATOM 436 CA ASN 56 12.337 -7.801 -9.710 1.00 0.00 ATOM 437 CB ASN 56 13.234 -9.047 -9.551 1.00 0.00 ATOM 438 CG ASN 56 13.611 -9.664 -10.887 1.00 0.00 ATOM 439 ND2 ASN 56 14.762 -10.330 -10.932 1.00 0.00 ATOM 440 OD1 ASN 56 12.869 -9.558 -11.857 1.00 0.00 ATOM 441 O ASN 56 10.490 -7.649 -8.208 1.00 0.00 ATOM 442 C ASN 56 11.618 -7.266 -8.486 1.00 0.00 ATOM 443 N LEU 57 12.303 -6.432 -7.770 1.00 0.00 ATOM 444 CA LEU 57 11.736 -5.864 -6.560 1.00 0.00 ATOM 445 CB LEU 57 12.784 -4.970 -5.884 1.00 0.00 ATOM 446 CG LEU 57 13.769 -5.658 -4.936 1.00 0.00 ATOM 447 CD1 LEU 57 14.840 -4.728 -4.385 1.00 0.00 ATOM 448 CD2 LEU 57 13.099 -6.441 -3.815 1.00 0.00 ATOM 449 O LEU 57 9.456 -5.219 -6.254 1.00 0.00 ATOM 450 C LEU 57 10.499 -5.044 -6.866 1.00 0.00 ATOM 451 N VAL 58 10.578 -4.130 -7.843 1.00 0.00 ATOM 452 CA VAL 58 9.425 -3.323 -8.190 1.00 0.00 ATOM 453 CB VAL 58 9.897 -2.205 -9.161 1.00 0.00 ATOM 454 CG1 VAL 58 8.734 -1.666 -9.982 1.00 0.00 ATOM 455 CG2 VAL 58 10.616 -1.065 -8.416 1.00 0.00 ATOM 456 O VAL 58 7.151 -4.075 -8.511 1.00 0.00 ATOM 457 C VAL 58 8.365 -4.209 -8.817 1.00 0.00 ATOM 458 N ASN 59 8.690 -5.195 -9.663 1.00 0.00 ATOM 459 CA ASN 59 7.751 -6.067 -10.343 1.00 0.00 ATOM 460 CB ASN 59 8.508 -6.969 -11.314 1.00 0.00 ATOM 461 CG ASN 59 7.548 -7.804 -12.148 1.00 0.00 ATOM 462 ND2 ASN 59 7.640 -9.128 -12.019 1.00 0.00 ATOM 463 OD1 ASN 59 6.737 -7.260 -12.895 1.00 0.00 ATOM 464 O ASN 59 5.769 -7.106 -9.484 1.00 0.00 ATOM 465 C ASN 59 6.983 -6.948 -9.362 1.00 0.00 ATOM 466 N THR 60 7.707 -7.554 -8.427 1.00 0.00 ATOM 467 CA THR 60 7.178 -8.665 -7.648 1.00 0.00 ATOM 468 CB THR 60 8.299 -9.606 -7.166 1.00 0.00 ATOM 469 CG2 THR 60 9.048 -10.189 -8.354 1.00 0.00 ATOM 470 OG1 THR 60 9.214 -8.877 -6.339 1.00 0.00 ATOM 471 O THR 60 5.761 -8.948 -5.727 1.00 0.00 ATOM 472 C THR 60 6.395 -8.167 -6.439 1.00 0.00 ATOM 473 N LEU 61 6.370 -6.851 -6.253 1.00 0.00 ATOM 474 CA LEU 61 5.595 -6.230 -5.186 1.00 0.00 ATOM 475 CB LEU 61 6.002 -4.641 -5.621 1.00 0.00 ATOM 476 CG LEU 61 5.389 -3.315 -5.215 1.00 0.00 ATOM 477 CD1 LEU 61 4.303 -3.175 -4.188 1.00 0.00 ATOM 478 CD2 LEU 61 6.525 -2.271 -5.036 1.00 0.00 ATOM 479 O LEU 61 3.291 -6.401 -4.558 1.00 0.00 ATOM 480 C LEU 61 4.101 -6.318 -5.481 1.00 0.00 ATOM 481 N CYS 62 3.827 -6.307 -6.847 1.00 0.00 ATOM 482 CA CYS 62 2.419 -6.471 -7.192 1.00 0.00 ATOM 483 CB CYS 62 2.755 -6.177 -8.938 1.00 0.00 ATOM 484 SG CYS 62 4.110 -5.028 -9.357 1.00 0.00 ATOM 485 O CYS 62 0.763 -7.998 -6.365 1.00 0.00 ATOM 486 C CYS 62 1.943 -7.819 -6.667 1.00 0.00 ATOM 487 N GLY 63 2.869 -8.763 -6.546 1.00 0.00 ATOM 488 CA GLY 63 2.532 -10.123 -6.146 1.00 0.00 ATOM 489 O GLY 63 3.506 -11.483 -4.509 1.00 0.00 ATOM 490 C GLY 63 3.199 -10.349 -4.822 1.00 0.00 ATOM 491 N THR 64 3.435 -9.303 -4.043 1.00 0.00 ATOM 492 CA THR 64 4.040 -9.478 -2.731 1.00 0.00 ATOM 493 CB THR 64 5.309 -9.261 -2.365 1.00 0.00 ATOM 494 CG2 THR 64 5.427 -9.031 -0.874 1.00 0.00 ATOM 495 OG1 THR 64 5.929 -10.538 -2.661 1.00 0.00 ATOM 496 O THR 64 2.357 -8.122 -1.707 1.00 0.00 ATOM 497 C THR 64 2.894 -9.229 -1.759 1.00 0.00 ATOM 498 N GLN 65 2.580 -10.259 -0.948 1.00 0.00 ATOM 499 CA GLN 65 1.530 -10.124 0.052 1.00 0.00 ATOM 500 CB GLN 65 1.175 -11.519 0.576 1.00 0.00 ATOM 501 CG GLN 65 0.175 -12.207 -0.408 1.00 0.00 ATOM 502 CD GLN 65 0.809 -12.329 -1.799 1.00 0.00 ATOM 503 OE1 GLN 65 0.496 -11.541 -2.695 1.00 0.00 ATOM 504 NE2 GLN 65 1.631 -13.345 -1.945 1.00 0.00 ATOM 505 O GLN 65 2.872 -9.770 2.023 1.00 0.00 ATOM 506 C GLN 65 1.960 -9.317 1.307 1.00 0.00 ATOM 507 N LEU 66 1.297 -8.080 1.563 1.00 0.00 ATOM 508 CA LEU 66 1.642 -7.280 2.759 1.00 0.00 ATOM 509 CB LEU 66 1.367 -5.847 2.334 1.00 0.00 ATOM 510 CG LEU 66 2.513 -5.331 1.420 1.00 0.00 ATOM 511 CD1 LEU 66 2.395 -3.810 1.191 1.00 0.00 ATOM 512 CD2 LEU 66 3.845 -5.668 2.038 1.00 0.00 ATOM 513 O LEU 66 -0.683 -7.452 3.336 1.00 0.00 ATOM 514 C LEU 66 0.480 -7.702 3.657 1.00 0.00 ATOM 515 N GLN 67 0.786 -8.314 4.782 1.00 0.00 ATOM 516 CA GLN 67 -0.264 -8.740 5.706 1.00 0.00 ATOM 517 CB GLN 67 0.146 -10.101 6.320 1.00 0.00 ATOM 518 CG GLN 67 -0.886 -11.211 6.196 1.00 0.00 ATOM 519 CD GLN 67 -0.607 -11.954 4.891 1.00 0.00 ATOM 520 OE1 GLN 67 -0.823 -11.419 3.783 1.00 0.00 ATOM 521 NE2 GLN 67 -0.518 -13.284 5.024 1.00 0.00 ATOM 522 O GLN 67 -1.205 -7.966 7.771 1.00 0.00 ATOM 523 C GLN 67 -0.309 -7.846 6.940 1.00 0.00 ATOM 524 N LYS 68 0.490 -6.835 6.987 1.00 0.00 ATOM 525 CA LYS 68 0.555 -5.895 8.093 1.00 0.00 ATOM 526 CB LYS 68 1.935 -6.051 8.871 1.00 0.00 ATOM 527 CG LYS 68 2.306 -7.442 9.261 1.00 0.00 ATOM 528 CD LYS 68 1.382 -8.167 10.170 1.00 0.00 ATOM 529 CE LYS 68 1.888 -9.528 10.681 1.00 0.00 ATOM 530 NZ LYS 68 2.171 -10.435 9.513 1.00 0.00 ATOM 531 O LYS 68 0.486 -4.097 6.514 1.00 0.00 ATOM 532 C LYS 68 0.375 -4.441 7.691 1.00 0.00 ATOM 533 N ASN 69 -0.106 -3.508 8.679 1.00 0.00 ATOM 534 CA ASN 69 -0.349 -2.106 8.370 1.00 0.00 ATOM 535 CB ASN 69 -1.110 -1.421 9.509 1.00 0.00 ATOM 536 CG ASN 69 -2.245 -2.269 10.051 1.00 0.00 ATOM 537 ND2 ASN 69 -3.432 -2.103 9.488 1.00 0.00 ATOM 538 OD1 ASN 69 -2.045 -3.082 10.957 1.00 0.00 ATOM 539 O ASN 69 2.018 -1.871 8.418 1.00 0.00 ATOM 540 C ASN 69 0.976 -1.521 7.887 1.00 0.00 ATOM 541 N ARG 70 0.935 -0.536 7.015 1.00 0.00 ATOM 542 CA ARG 70 2.112 0.195 6.563 1.00 0.00 ATOM 543 CB ARG 70 2.378 -0.471 5.212 1.00 0.00 ATOM 544 CG ARG 70 2.288 -1.990 5.229 1.00 0.00 ATOM 545 CD ARG 70 0.840 -2.457 5.219 1.00 0.00 ATOM 546 NE ARG 70 0.213 -2.269 3.913 1.00 0.00 ATOM 547 CZ ARG 70 -1.071 -2.607 3.928 1.00 0.00 ATOM 548 NH1 ARG 70 -1.799 -2.499 2.825 1.00 0.00 ATOM 549 NH2 ARG 70 -1.629 -3.052 5.045 1.00 0.00 ATOM 550 O ARG 70 0.833 2.209 6.278 1.00 0.00 ATOM 551 C ARG 70 1.949 1.697 6.509 1.00 0.00 ATOM 552 N VAL 71 2.972 2.163 6.890 1.00 0.00 ATOM 553 CA VAL 71 3.076 3.612 6.987 1.00 0.00 ATOM 554 CB VAL 71 2.401 4.418 7.919 1.00 0.00 ATOM 555 CG1 VAL 71 1.395 5.248 7.155 1.00 0.00 ATOM 556 CG2 VAL 71 1.685 3.592 8.981 1.00 0.00 ATOM 557 O VAL 71 5.184 3.188 5.952 1.00 0.00 ATOM 558 C VAL 71 4.436 4.035 6.367 1.00 0.00 ATOM 559 N GLU 72 4.426 5.273 6.199 1.00 0.00 ATOM 560 CA GLU 72 5.614 5.820 5.651 1.00 0.00 ATOM 561 CB GLU 72 5.473 5.889 4.106 1.00 0.00 ATOM 562 CG GLU 72 4.386 6.845 3.663 1.00 0.00 ATOM 563 CD GLU 72 4.060 6.710 2.190 1.00 0.00 ATOM 564 OE1 GLU 72 3.618 5.616 1.784 1.00 0.00 ATOM 565 OE2 GLU 72 4.243 7.693 1.441 1.00 0.00 ATOM 566 O GLU 72 5.325 7.739 7.080 1.00 0.00 ATOM 567 C GLU 72 6.103 6.858 6.647 1.00 0.00 ATOM 568 N VAL 73 7.430 6.810 7.068 1.00 0.00 ATOM 569 CA VAL 73 8.031 7.774 7.993 1.00 0.00 ATOM 570 CB VAL 73 8.600 6.907 9.118 1.00 0.00 ATOM 571 CG1 VAL 73 9.182 7.820 10.152 1.00 0.00 ATOM 572 CG2 VAL 73 7.449 6.091 9.744 1.00 0.00 ATOM 573 O VAL 73 10.114 7.515 6.871 1.00 0.00 ATOM 574 C VAL 73 9.273 8.284 7.276 1.00 0.00 ATOM 575 N LYS 74 9.378 9.559 7.089 1.00 0.00 ATOM 576 CA LYS 74 10.547 10.188 6.472 1.00 0.00 ATOM 577 CB LYS 74 9.856 11.238 5.585 1.00 0.00 ATOM 578 CG LYS 74 10.736 12.191 4.785 1.00 0.00 ATOM 579 CD LYS 74 9.824 13.108 3.966 1.00 0.00 ATOM 580 CE LYS 74 10.576 14.071 3.064 1.00 0.00 ATOM 581 NZ LYS 74 11.140 15.206 3.833 1.00 0.00 ATOM 582 O LYS 74 11.197 11.612 8.278 1.00 0.00 ATOM 583 C LYS 74 11.514 10.735 7.499 1.00 0.00 ATOM 584 N MET 75 12.818 10.256 7.320 1.00 0.00 ATOM 585 CA MET 75 13.889 10.744 8.175 1.00 0.00 ATOM 586 CB MET 75 15.048 10.332 8.514 1.00 0.00 ATOM 587 CG MET 75 14.815 10.023 9.973 1.00 0.00 ATOM 588 SD MET 75 16.441 9.559 10.765 1.00 0.00 ATOM 589 CE MET 75 16.939 8.056 9.928 1.00 0.00 ATOM 590 O MET 75 13.998 12.525 6.574 1.00 0.00 ATOM 591 C MET 75 14.266 12.161 7.725 1.00 0.00 ATOM 592 N ASN 76 14.610 12.974 8.679 1.00 0.00 ATOM 593 CA ASN 76 14.968 14.380 8.432 1.00 0.00 ATOM 594 CB ASN 76 15.524 14.919 9.979 1.00 0.00 ATOM 595 CG ASN 76 15.191 14.072 11.182 1.00 0.00 ATOM 596 ND2 ASN 76 13.972 13.992 11.684 1.00 0.00 ATOM 597 OD1 ASN 76 16.093 13.438 11.710 1.00 0.00 ATOM 598 O ASN 76 16.336 15.534 6.833 1.00 0.00 ATOM 599 C ASN 76 16.107 14.475 7.418 1.00 0.00 ATOM 600 N GLU 77 16.805 13.321 7.253 1.00 0.00 ATOM 601 CA GLU 77 17.910 13.264 6.293 1.00 0.00 ATOM 602 CB GLU 77 18.792 12.091 6.723 1.00 0.00 ATOM 603 CG GLU 77 19.308 12.182 8.151 1.00 0.00 ATOM 604 CD GLU 77 20.258 13.333 8.313 1.00 0.00 ATOM 605 OE1 GLU 77 21.193 13.422 7.553 1.00 0.00 ATOM 606 OE2 GLU 77 19.993 14.187 9.126 1.00 0.00 ATOM 607 O GLU 77 18.108 12.911 3.936 1.00 0.00 ATOM 608 C GLU 77 17.349 13.184 4.875 1.00 0.00 ATOM 609 N GLY 78 15.980 13.396 4.737 1.00 0.00 ATOM 610 CA GLY 78 15.283 13.337 3.459 1.00 0.00 ATOM 611 O GLY 78 14.996 11.621 1.807 1.00 0.00 ATOM 612 C GLY 78 15.227 11.888 2.986 1.00 0.00 ATOM 613 N ASP 79 15.348 10.960 3.929 1.00 0.00 ATOM 614 CA ASP 79 15.273 9.538 3.619 1.00 0.00 ATOM 615 CB ASP 79 16.701 8.897 3.663 1.00 0.00 ATOM 616 CG ASP 79 17.312 8.901 5.048 1.00 0.00 ATOM 617 OD1 ASP 79 16.587 8.980 6.065 1.00 0.00 ATOM 618 OD2 ASP 79 18.553 8.808 5.211 1.00 0.00 ATOM 619 O ASP 79 13.627 9.240 5.340 1.00 0.00 ATOM 620 C ASP 79 14.025 8.904 4.225 1.00 0.00 ATOM 621 N GLU 80 13.524 7.856 3.578 1.00 0.00 ATOM 622 CA GLU 80 12.272 7.232 3.984 1.00 0.00 ATOM 623 CB GLU 80 11.736 6.800 2.654 1.00 0.00 ATOM 624 CG GLU 80 10.898 8.009 2.226 1.00 0.00 ATOM 625 CD GLU 80 10.208 7.840 0.880 1.00 0.00 ATOM 626 OE1 GLU 80 10.685 7.045 0.044 1.00 0.00 ATOM 627 OE2 GLU 80 9.192 8.525 0.650 1.00 0.00 ATOM 628 O GLU 80 12.940 4.939 3.899 1.00 0.00 ATOM 629 C GLU 80 12.129 5.777 4.338 1.00 0.00 ATOM 630 N ALA 81 11.217 5.479 5.181 1.00 0.00 ATOM 631 CA ALA 81 10.925 4.067 5.496 1.00 0.00 ATOM 632 CB ALA 81 11.679 3.690 6.789 1.00 0.00 ATOM 633 O ALA 81 8.611 4.621 5.819 1.00 0.00 ATOM 634 C ALA 81 9.470 3.737 5.811 1.00 0.00 ATOM 635 N LEU 82 9.206 2.470 6.109 1.00 0.00 ATOM 636 CA LEU 82 7.846 2.011 6.368 1.00 0.00 ATOM 637 CB LEU 82 7.648 0.621 5.764 1.00 0.00 ATOM 638 CG LEU 82 7.652 0.536 4.247 1.00 0.00 ATOM 639 CD1 LEU 82 7.697 -0.908 3.829 1.00 0.00 ATOM 640 CD2 LEU 82 6.392 1.206 3.705 1.00 0.00 ATOM 641 O LEU 82 8.154 1.684 8.707 1.00 0.00 ATOM 642 C LEU 82 7.464 2.211 7.831 1.00 0.00 ATOM 643 N ILE 83 6.356 3.113 8.148 1.00 0.00 ATOM 644 CA ILE 83 5.586 1.970 8.621 1.00 0.00 ATOM 645 CB ILE 83 5.902 0.925 9.144 1.00 0.00 ATOM 646 CG1 ILE 83 5.437 -0.046 8.063 1.00 0.00 ATOM 647 CG2 ILE 83 5.266 0.625 10.499 1.00 0.00 ATOM 648 CD1 ILE 83 5.608 -1.507 8.456 1.00 0.00 ATOM 649 O ILE 83 4.370 3.675 9.848 1.00 0.00 ATOM 650 C ILE 83 4.501 2.494 9.534 1.00 0.00 ATOM 651 N ILE 84 3.705 1.477 10.063 1.00 0.00 ATOM 652 CA ILE 84 2.676 1.746 11.060 1.00 0.00 ATOM 653 CB ILE 84 1.316 2.139 10.421 1.00 0.00 ATOM 654 CG1 ILE 84 0.274 2.376 11.520 1.00 0.00 ATOM 655 CG2 ILE 84 0.832 1.175 9.362 1.00 0.00 ATOM 656 CD1 ILE 84 -1.031 2.965 10.997 1.00 0.00 ATOM 657 O ILE 84 2.244 -0.553 11.605 1.00 0.00 ATOM 658 C ILE 84 2.601 0.554 12.012 1.00 0.00 ATOM 659 N MET 85 2.910 0.795 13.279 1.00 0.00 ATOM 660 CA MET 85 2.889 -0.259 14.286 1.00 0.00 ATOM 661 CB MET 85 3.435 0.406 15.583 1.00 0.00 ATOM 662 CG MET 85 3.561 -0.502 16.790 1.00 0.00 ATOM 663 SD MET 85 4.098 0.390 18.274 1.00 0.00 ATOM 664 CE MET 85 2.577 1.082 18.884 1.00 0.00 ATOM 665 O MET 85 0.519 0.086 14.451 1.00 0.00 ATOM 666 C MET 85 1.463 -0.690 14.606 1.00 0.00 ATOM 667 N ILE 86 1.308 -1.940 15.031 1.00 0.00 ATOM 668 CA ILE 86 0.003 -2.465 15.407 1.00 0.00 ATOM 669 CB ILE 86 -0.978 -2.904 14.528 1.00 0.00 ATOM 670 CG1 ILE 86 -1.726 -1.639 14.076 1.00 0.00 ATOM 671 CG2 ILE 86 -1.953 -3.888 15.209 1.00 0.00 ATOM 672 CD1 ILE 86 -2.443 -0.886 15.199 1.00 0.00 ATOM 673 O ILE 86 0.581 -3.935 17.198 1.00 0.00 ATOM 674 C ILE 86 -0.104 -2.973 16.832 1.00 0.00 ATOM 675 N SER 87 -0.933 -2.324 17.639 1.00 0.00 ATOM 676 CA SER 87 -1.141 -2.740 19.025 1.00 0.00 ATOM 677 CB SER 87 -1.318 -1.372 19.691 1.00 0.00 ATOM 678 OG SER 87 -2.489 -0.725 19.221 1.00 0.00 ATOM 679 O SER 87 -3.196 -3.802 18.292 1.00 0.00 ATOM 680 C SER 87 -2.268 -3.787 19.112 1.00 0.00 ATOM 681 N GLN 88 -2.232 -4.469 20.222 1.00 0.00 ATOM 682 CA GLN 88 -3.208 -5.533 20.435 1.00 0.00 ATOM 683 CB GLN 88 -2.836 -6.731 20.975 1.00 0.00 ATOM 684 CG GLN 88 -3.982 -7.693 21.203 1.00 0.00 ATOM 685 CD GLN 88 -3.478 -9.080 21.545 1.00 0.00 ATOM 686 OE1 GLN 88 -2.531 -9.241 22.313 1.00 0.00 ATOM 687 NE2 GLN 88 -4.073 -10.129 20.981 1.00 0.00 ATOM 688 O GLN 88 -4.947 -4.193 21.396 1.00 0.00 ATOM 689 C GLN 88 -4.639 -5.023 20.538 1.00 0.00 ATOM 690 N ARG 89 -5.312 -5.274 19.267 1.00 0.00 ATOM 691 CA ARG 89 -6.730 -4.987 19.410 1.00 0.00 ATOM 692 CB ARG 89 -7.575 -5.950 18.636 1.00 0.00 ATOM 693 CG ARG 89 -7.253 -6.029 17.154 1.00 0.00 ATOM 694 CD ARG 89 -7.618 -4.763 16.395 1.00 0.00 ATOM 695 NE ARG 89 -6.658 -3.681 16.636 1.00 0.00 ATOM 696 CZ ARG 89 -5.463 -3.602 16.078 1.00 0.00 ATOM 697 NH1 ARG 89 -5.065 -4.526 15.206 1.00 0.00 ATOM 698 NH2 ARG 89 -4.664 -2.580 16.364 1.00 0.00 ATOM 699 O ARG 89 -7.684 -4.191 21.460 1.00 0.00 ATOM 700 C ARG 89 -7.287 -5.167 20.821 1.00 0.00 ATOM 701 N LEU 90 -7.129 -6.316 21.392 1.00 0.00 ATOM 702 CA LEU 90 -7.640 -6.595 22.731 1.00 0.00 ATOM 703 CB LEU 90 -7.881 -8.039 22.942 1.00 0.00 ATOM 704 CG LEU 90 -9.044 -8.601 22.152 1.00 0.00 ATOM 705 CD1 LEU 90 -9.012 -10.107 22.298 1.00 0.00 ATOM 706 CD2 LEU 90 -10.382 -8.057 22.537 1.00 0.00 ATOM 707 O LEU 90 -6.847 -6.193 24.990 1.00 0.00 ATOM 708 C LEU 90 -6.574 -6.209 23.782 1.00 0.00 ATOM 709 N GLU 91 -5.387 -5.914 23.098 1.00 0.00 ATOM 710 CA GLU 91 -4.275 -5.611 23.991 1.00 0.00 ATOM 711 CB GLU 91 -2.976 -5.594 23.190 1.00 0.00 ATOM 712 CG GLU 91 -1.864 -4.774 23.813 1.00 0.00 ATOM 713 CD GLU 91 -0.681 -4.607 22.890 1.00 0.00 ATOM 714 OE1 GLU 91 0.094 -5.574 22.722 1.00 0.00 ATOM 715 OE2 GLU 91 -0.533 -3.505 22.325 1.00 0.00 ATOM 716 O GLU 91 -5.199 -3.395 23.955 1.00 0.00 ATOM 717 C GLU 91 -4.455 -4.194 24.524 1.00 0.00 ATOM 718 N GLU 92 -3.742 -3.881 25.602 1.00 0.00 ATOM 719 CA GLU 92 -3.823 -2.559 26.214 1.00 0.00 ATOM 720 CB GLU 92 -3.508 -2.644 27.710 1.00 0.00 ATOM 721 CG GLU 92 -4.545 -3.405 28.528 1.00 0.00 ATOM 722 CD GLU 92 -4.154 -3.468 29.978 1.00 0.00 ATOM 723 OE1 GLU 92 -3.106 -2.969 30.315 1.00 0.00 ATOM 724 OE2 GLU 92 -4.954 -3.914 30.768 1.00 0.00 ATOM 725 O GLU 92 -1.835 -1.966 25.006 1.00 0.00 ATOM 726 C GLU 92 -2.877 -1.575 25.535 1.00 0.00 ATOM 727 N GLY 93 -3.231 -0.296 25.576 1.00 0.00 ATOM 728 CA GLY 93 -2.434 0.741 24.934 1.00 0.00 ATOM 729 O GLY 93 -0.469 2.012 25.473 1.00 0.00 ATOM 730 C GLY 93 -1.378 1.294 25.886 1.00 0.00 ATOM 731 N LYS 94 -1.469 0.902 27.153 1.00 0.00 ATOM 732 CA LYS 94 -0.545 1.384 28.173 1.00 0.00 ATOM 733 CB LYS 94 -1.145 1.204 29.568 1.00 0.00 ATOM 734 CG LYS 94 -2.366 2.072 29.844 1.00 0.00 ATOM 735 CD LYS 94 -2.895 1.854 31.253 1.00 0.00 ATOM 736 CE LYS 94 -4.110 2.723 31.531 1.00 0.00 ATOM 737 NZ LYS 94 -4.657 2.499 32.900 1.00 0.00 ATOM 738 O LYS 94 1.866 1.341 28.232 1.00 0.00 ATOM 739 C LYS 94 0.828 0.753 27.902 1.00 0.00 ATOM 740 N VAL 95 0.844 -0.464 27.313 1.00 0.00 ATOM 741 CA VAL 95 2.100 -1.133 26.976 1.00 0.00 ATOM 742 CB VAL 95 1.717 -2.736 26.751 1.00 0.00 ATOM 743 CG1 VAL 95 0.904 -3.301 27.913 1.00 0.00 ATOM 744 CG2 VAL 95 0.962 -2.876 25.463 1.00 0.00 ATOM 745 O VAL 95 4.176 -0.720 25.861 1.00 0.00 ATOM 746 C VAL 95 2.969 -0.494 25.887 1.00 0.00 ATOM 747 N LEU 96 2.338 0.385 24.969 1.00 0.00 ATOM 748 CA LEU 96 3.145 1.030 23.928 1.00 0.00 ATOM 749 CB LEU 96 3.090 0.155 22.647 1.00 0.00 ATOM 750 CG LEU 96 1.870 0.250 21.727 1.00 0.00 ATOM 751 CD1 LEU 96 2.144 -0.689 20.546 1.00 0.00 ATOM 752 CD2 LEU 96 0.555 -0.137 22.423 1.00 0.00 ATOM 753 O LEU 96 1.505 2.785 23.975 1.00 0.00 ATOM 754 C LEU 96 2.619 2.423 23.596 1.00 0.00 ATOM 755 N SER 97 3.442 3.214 22.914 1.00 0.00 ATOM 756 CA SER 97 3.020 4.523 22.427 1.00 0.00 ATOM 757 CB SER 97 3.483 5.635 23.385 1.00 0.00 ATOM 758 OG SER 97 3.153 6.894 22.854 1.00 0.00 ATOM 759 O SER 97 4.834 4.352 20.863 1.00 0.00 ATOM 760 C SER 97 3.777 4.910 21.163 1.00 0.00 ATOM 761 N ASP 98 3.257 5.896 20.426 1.00 0.00 ATOM 762 CA ASP 98 3.892 6.360 19.196 1.00 0.00 ATOM 763 CB ASP 98 3.655 7.888 18.973 1.00 0.00 ATOM 764 CG ASP 98 2.208 8.327 18.980 1.00 0.00 ATOM 765 OD1 ASP 98 1.313 7.463 18.904 1.00 0.00 ATOM 766 OD2 ASP 98 1.968 9.552 19.050 1.00 0.00 ATOM 767 O ASP 98 6.140 6.932 18.571 1.00 0.00 ATOM 768 C ASP 98 5.286 6.918 19.454 1.00 0.00 ATOM 769 N LYS 99 5.547 7.447 20.722 1.00 0.00 ATOM 770 CA LYS 99 6.819 8.037 21.139 1.00 0.00 ATOM 771 CB LYS 99 6.794 8.688 22.523 1.00 0.00 ATOM 772 CG LYS 99 5.928 9.936 22.615 1.00 0.00 ATOM 773 CD LYS 99 5.968 10.535 24.014 1.00 0.00 ATOM 774 CE LYS 99 5.107 11.787 24.106 1.00 0.00 ATOM 775 NZ LYS 99 5.116 12.370 25.475 1.00 0.00 ATOM 776 O LYS 99 9.125 7.430 20.814 1.00 0.00 ATOM 777 C LYS 99 7.981 7.046 21.070 1.00 0.00 ATOM 778 N GLU 100 7.682 5.771 21.343 1.00 0.00 ATOM 779 CA GLU 100 8.713 4.743 21.320 1.00 0.00 ATOM 780 CB GLU 100 8.146 3.379 21.880 1.00 0.00 ATOM 781 CG GLU 100 7.725 3.487 23.368 1.00 0.00 ATOM 782 CD GLU 100 7.028 2.379 24.108 1.00 0.00 ATOM 783 OE1 GLU 100 7.108 1.247 23.581 1.00 0.00 ATOM 784 OE2 GLU 100 6.319 2.546 25.117 1.00 0.00 ATOM 785 O GLU 100 10.551 4.458 19.810 1.00 0.00 ATOM 786 C GLU 100 9.337 4.603 19.932 1.00 0.00 ATOM 787 N ILE 101 8.510 4.649 18.888 1.00 0.00 ATOM 788 CA ILE 101 8.991 4.545 17.507 1.00 0.00 ATOM 789 CB ILE 101 7.771 5.186 16.525 1.00 0.00 ATOM 790 CG1 ILE 101 6.367 5.123 17.149 1.00 0.00 ATOM 791 CG2 ILE 101 7.759 4.698 15.058 1.00 0.00 ATOM 792 CD1 ILE 101 5.838 3.699 17.320 1.00 0.00 ATOM 793 O ILE 101 10.957 5.535 16.535 1.00 0.00 ATOM 794 C ILE 101 9.909 5.716 17.162 1.00 0.00 ATOM 795 N LYS 102 9.481 6.927 17.609 1.00 0.00 ATOM 796 CA LYS 102 10.345 8.081 17.382 1.00 0.00 ATOM 797 CB LYS 102 9.760 9.364 17.859 1.00 0.00 ATOM 798 CG LYS 102 10.649 10.573 17.629 1.00 0.00 ATOM 799 CD LYS 102 9.981 11.853 18.105 1.00 0.00 ATOM 800 CE LYS 102 10.883 13.059 17.877 1.00 0.00 ATOM 801 NZ LYS 102 10.251 14.323 18.350 1.00 0.00 ATOM 802 O LYS 102 12.736 8.240 17.536 1.00 0.00 ATOM 803 C LYS 102 11.688 7.908 18.089 1.00 0.00 ATOM 804 N ASP 103 11.676 7.421 19.356 1.00 0.00 ATOM 805 CA ASP 103 12.908 7.223 20.118 1.00 0.00 ATOM 806 CB ASP 103 12.537 6.714 21.514 1.00 0.00 ATOM 807 CG ASP 103 11.908 7.764 22.420 1.00 0.00 ATOM 808 OD1 ASP 103 11.964 8.922 22.083 1.00 0.00 ATOM 809 OD2 ASP 103 11.245 7.389 23.355 1.00 0.00 ATOM 810 O ASP 103 15.034 6.415 19.348 1.00 0.00 ATOM 811 C ASP 103 13.822 6.211 19.434 1.00 0.00 ATOM 812 N MET 104 13.225 5.122 18.927 1.00 0.00 ATOM 813 CA MET 104 13.983 4.083 18.242 1.00 0.00 ATOM 814 CB MET 104 13.121 2.829 18.036 1.00 0.00 ATOM 815 CG MET 104 13.920 1.526 17.962 1.00 0.00 ATOM 816 SD MET 104 15.190 1.396 19.256 1.00 0.00 ATOM 817 CE MET 104 14.201 1.617 20.688 1.00 0.00 ATOM 818 O MET 104 15.717 4.343 16.598 1.00 0.00 ATOM 819 C MET 104 14.577 4.641 16.949 1.00 0.00 ATOM 820 N TYR 105 13.788 5.465 16.253 1.00 0.00 ATOM 821 CA TYR 105 14.244 6.044 14.995 1.00 0.00 ATOM 822 CB TYR 105 13.387 7.402 14.863 1.00 0.00 ATOM 823 CG TYR 105 12.994 8.140 13.599 1.00 0.00 ATOM 824 CD1 TYR 105 12.689 7.487 12.435 1.00 0.00 ATOM 825 CD2 TYR 105 12.783 9.513 13.646 1.00 0.00 ATOM 826 CE1 TYR 105 12.252 8.206 11.341 1.00 0.00 ATOM 827 CE2 TYR 105 12.361 10.235 12.548 1.00 0.00 ATOM 828 CZ TYR 105 12.076 9.559 11.399 1.00 0.00 ATOM 829 OH TYR 105 11.639 10.266 10.305 1.00 0.00 ATOM 830 O TYR 105 16.326 7.044 14.330 1.00 0.00 ATOM 831 C TYR 105 15.390 7.046 15.134 1.00 0.00 ATOM 832 N ARG 106 15.363 7.903 16.167 1.00 0.00 ATOM 833 CA ARG 106 16.420 8.887 16.381 1.00 0.00 ATOM 834 CB ARG 106 16.320 9.607 17.685 1.00 0.00 ATOM 835 CG ARG 106 15.000 10.287 17.946 1.00 0.00 ATOM 836 CD ARG 106 14.609 11.239 16.822 1.00 0.00 ATOM 837 NE ARG 106 15.671 12.201 16.552 1.00 0.00 ATOM 838 CZ ARG 106 15.759 13.427 17.076 1.00 0.00 ATOM 839 NH1 ARG 106 14.918 13.823 18.026 1.00 0.00 ATOM 840 NH2 ARG 106 16.707 14.262 16.673 1.00 0.00 ATOM 841 O ARG 106 18.841 8.783 16.477 1.00 0.00 ATOM 842 C ARG 106 17.776 8.216 16.720 1.00 0.00 ATOM 843 N GLN 107 17.758 6.990 17.228 1.00 0.00 ATOM 844 CA GLN 107 18.992 6.270 17.515 1.00 0.00 ATOM 845 CB GLN 107 18.925 5.673 18.922 1.00 0.00 ATOM 846 CG GLN 107 18.868 6.747 19.999 1.00 0.00 ATOM 847 CD GLN 107 18.870 6.162 21.387 1.00 0.00 ATOM 848 OE1 GLN 107 19.892 5.647 21.846 1.00 0.00 ATOM 849 NE2 GLN 107 17.727 6.209 22.053 1.00 0.00 ATOM 850 O GLN 107 20.141 4.299 16.738 1.00 0.00 ATOM 851 C GLN 107 19.333 5.200 16.479 1.00 0.00 ATOM 852 N GLY 108 18.731 5.310 15.301 1.00 0.00 ATOM 853 CA GLY 108 19.077 4.444 14.194 1.00 0.00 ATOM 854 O GLY 108 17.975 2.306 14.400 1.00 0.00 ATOM 855 C GLY 108 18.745 3.021 13.747 1.00 0.00 ATOM 856 N LYS 109 19.486 2.645 12.585 1.00 0.00 ATOM 857 CA LYS 109 19.354 1.297 12.035 1.00 0.00 ATOM 858 CB LYS 109 20.320 0.119 11.919 1.00 0.00 ATOM 859 CG LYS 109 21.176 -0.120 13.158 1.00 0.00 ATOM 860 CD LYS 109 22.191 0.998 13.352 1.00 0.00 ATOM 861 CE LYS 109 23.080 0.733 14.557 1.00 0.00 ATOM 862 NZ LYS 109 24.050 1.839 14.786 1.00 0.00 ATOM 863 O LYS 109 17.796 1.147 10.212 1.00 0.00 ATOM 864 C LYS 109 18.092 0.803 11.339 1.00 0.00 ATOM 865 N ILE 110 17.264 0.058 12.180 1.00 0.00 ATOM 866 CA ILE 110 15.942 -0.347 11.735 1.00 0.00 ATOM 867 CB ILE 110 15.778 -1.732 11.137 1.00 0.00 ATOM 868 CG1 ILE 110 16.820 -1.833 10.017 1.00 0.00 ATOM 869 CG2 ILE 110 14.349 -1.799 10.588 1.00 0.00 ATOM 870 CD1 ILE 110 16.770 -3.123 9.227 1.00 0.00 ATOM 871 O ILE 110 15.584 -0.943 14.043 1.00 0.00 ATOM 872 C ILE 110 15.267 -0.214 13.097 1.00 0.00 ATOM 873 N SER 111 14.300 0.578 13.101 1.00 0.00 ATOM 874 CA SER 111 13.521 0.844 14.296 1.00 0.00 ATOM 875 CB SER 111 13.710 1.823 15.165 1.00 0.00 ATOM 876 OG SER 111 13.559 3.164 14.762 1.00 0.00 ATOM 877 O SER 111 11.365 0.405 13.387 1.00 0.00 ATOM 878 C SER 111 12.174 0.137 14.263 1.00 0.00 ATOM 879 N PHE 112 11.816 -0.485 15.390 1.00 0.00 ATOM 880 CA PHE 112 10.567 -1.260 15.455 1.00 0.00 ATOM 881 CB PHE 112 11.003 -2.714 15.477 1.00 0.00 ATOM 882 CG PHE 112 9.905 -3.645 15.049 1.00 0.00 ATOM 883 CD1 PHE 112 9.539 -4.711 15.872 1.00 0.00 ATOM 884 CD2 PHE 112 9.319 -3.538 13.789 1.00 0.00 ATOM 885 CE1 PHE 112 8.615 -5.664 15.450 1.00 0.00 ATOM 886 CE2 PHE 112 8.391 -4.487 13.353 1.00 0.00 ATOM 887 CZ PHE 112 8.044 -5.554 14.194 1.00 0.00 ATOM 888 O PHE 112 11.040 -1.154 17.804 1.00 0.00 ATOM 889 C PHE 112 10.230 -1.445 16.918 1.00 0.00 ATOM 890 N TYR 113 9.477 -1.435 16.637 1.00 0.00 ATOM 891 CA TYR 113 8.626 -1.981 17.671 1.00 0.00 ATOM 892 CB TYR 113 7.719 -0.791 18.245 1.00 0.00 ATOM 893 CG TYR 113 7.053 -1.032 19.587 1.00 0.00 ATOM 894 CD1 TYR 113 7.769 -0.925 20.780 1.00 0.00 ATOM 895 CD2 TYR 113 5.702 -1.375 19.650 1.00 0.00 ATOM 896 CE1 TYR 113 7.148 -1.155 22.013 1.00 0.00 ATOM 897 CE2 TYR 113 5.078 -1.603 20.867 1.00 0.00 ATOM 898 CZ TYR 113 5.803 -1.492 22.038 1.00 0.00 ATOM 899 OH TYR 113 5.187 -1.731 23.239 1.00 0.00 ATOM 900 O TYR 113 6.998 -3.577 16.922 1.00 0.00 ATOM 901 C TYR 113 7.796 -3.243 17.799 1.00 0.00 ATOM 902 N GLU 114 7.910 -4.167 18.866 1.00 0.00 ATOM 903 CA GLU 114 7.085 -5.343 19.097 1.00 0.00 ATOM 904 CB GLU 114 7.984 -6.560 19.381 1.00 0.00 ATOM 905 CG GLU 114 8.095 -7.586 18.267 1.00 0.00 ATOM 906 CD GLU 114 6.852 -8.462 18.156 1.00 0.00 ATOM 907 OE1 GLU 114 6.510 -9.156 19.145 1.00 0.00 ATOM 908 OE2 GLU 114 6.212 -8.468 17.084 1.00 0.00 ATOM 909 O GLU 114 6.575 -4.897 21.397 1.00 0.00 ATOM 910 C GLU 114 6.145 -4.993 20.247 1.00 0.00 ATOM 911 N VAL 115 4.880 -5.034 19.919 1.00 0.00 ATOM 912 CA VAL 115 3.862 -4.675 20.903 1.00 0.00 ATOM 913 CB VAL 115 2.676 -3.940 20.209 1.00 0.00 ATOM 914 CG1 VAL 115 1.862 -4.890 19.353 1.00 0.00 ATOM 915 CG2 VAL 115 1.773 -3.242 21.235 1.00 0.00 ATOM 916 O VAL 115 3.002 -6.879 21.291 1.00 0.00 ATOM 917 C VAL 115 3.499 -5.866 21.782 1.00 0.00 ATOM 918 N TRP 116 3.652 -5.693 23.090 1.00 0.00 ATOM 919 CA TRP 116 3.282 -6.732 24.044 1.00 0.00 ATOM 920 CB TRP 116 4.657 -7.296 24.692 1.00 0.00 ATOM 921 CG TRP 116 5.080 -6.533 25.932 1.00 0.00 ATOM 922 CD1 TRP 116 5.036 -6.988 27.225 1.00 0.00 ATOM 923 CD2 TRP 116 5.671 -5.220 25.979 1.00 0.00 ATOM 924 CE2 TRP 116 5.959 -4.943 27.346 1.00 0.00 ATOM 925 CE3 TRP 116 5.991 -4.254 25.009 1.00 0.00 ATOM 926 NE1 TRP 116 5.572 -6.035 28.076 1.00 0.00 ATOM 927 CZ2 TRP 116 6.536 -3.745 27.758 1.00 0.00 ATOM 928 CZ3 TRP 116 6.569 -3.065 25.414 1.00 0.00 ATOM 929 CH2 TRP 116 6.839 -2.816 26.792 1.00 0.00 ATOM 930 O TRP 116 1.795 -5.445 25.424 1.00 0.00 ATOM 931 C TRP 116 1.935 -6.426 24.694 1.00 0.00 TER END