PFRMAT TS TARGET T0230 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 model was created directly from an alignment to our top METHOD fold-recognition template (1pa4A), with sidechains repacked by SCWRL. METHOD METHOD The alignment was mad by a 3-track HMM: METHOD T0230-1pa4A-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 REMARK 6 REMARK 6 T0230 model 5 Wed Jul 21 08:48:41 2004 MODEL 5 PARENT 1pa4_A ATOM 2 N LYS 6 9.110 3.100 3.485 1.00 0.00 ATOM 3 CA LYS 6 8.035 3.559 2.622 1.00 0.00 ATOM 4 CB LYS 6 7.892 5.079 2.707 1.00 0.00 ATOM 5 CG LYS 6 7.421 5.583 4.062 1.00 0.00 ATOM 6 CD LYS 6 7.276 7.096 4.069 1.00 0.00 ATOM 7 CE LYS 6 6.834 7.603 5.433 1.00 0.00 ATOM 8 NZ LYS 6 6.695 9.086 5.456 1.00 0.00 ATOM 9 O LYS 6 7.726 2.241 0.639 1.00 0.00 ATOM 10 C LYS 6 8.322 3.178 1.168 1.00 0.00 ATOM 11 N VAL 7 9.235 3.925 0.564 1.00 0.00 ATOM 12 CA VAL 7 9.609 3.678 -0.818 1.00 0.00 ATOM 13 CB VAL 7 10.418 2.375 -0.961 1.00 0.00 ATOM 14 CG1 VAL 7 11.718 2.469 -0.176 1.00 0.00 ATOM 15 CG2 VAL 7 9.623 1.192 -0.432 1.00 0.00 ATOM 16 O VAL 7 7.255 3.867 -1.249 1.00 0.00 ATOM 17 C VAL 7 8.358 3.556 -1.693 1.00 0.00 ATOM 18 N THR 8 8.575 3.103 -2.918 1.00 0.00 ATOM 19 CA THR 8 7.480 2.936 -3.858 1.00 0.00 ATOM 20 CB THR 8 7.877 2.021 -5.032 1.00 0.00 ATOM 21 CG2 THR 8 6.721 1.881 -6.012 1.00 0.00 ATOM 22 OG1 THR 8 9.002 2.583 -5.719 1.00 0.00 ATOM 23 O THR 8 5.145 2.730 -3.336 1.00 0.00 ATOM 24 C THR 8 6.285 2.310 -3.137 1.00 0.00 ATOM 25 N LYS 9 6.585 1.317 -2.312 1.00 0.00 ATOM 26 CA LYS 9 5.550 0.629 -1.561 1.00 0.00 ATOM 27 CB LYS 9 6.157 -0.115 -0.369 1.00 0.00 ATOM 28 CG LYS 9 5.168 -0.986 0.388 1.00 0.00 ATOM 29 CD LYS 9 5.873 -1.853 1.420 1.00 0.00 ATOM 30 CE LYS 9 4.877 -2.507 2.363 1.00 0.00 ATOM 31 NZ LYS 9 5.521 -3.543 3.217 1.00 0.00 ATOM 32 O LYS 9 3.372 1.637 -1.472 1.00 0.00 ATOM 33 C LYS 9 4.521 1.633 -1.034 1.00 0.00 ATOM 34 N GLU 10 4.971 2.458 -0.102 1.00 0.00 ATOM 35 CA GLU 10 4.104 3.464 0.490 1.00 0.00 ATOM 36 CB GLU 10 4.924 4.467 1.302 1.00 0.00 ATOM 37 CG GLU 10 4.090 5.534 1.996 1.00 0.00 ATOM 38 CD GLU 10 3.250 4.970 3.124 1.00 0.00 ATOM 39 OE1 GLU 10 3.451 3.792 3.486 1.00 0.00 ATOM 40 OE2 GLU 10 2.387 5.708 3.647 1.00 0.00 ATOM 41 O GLU 10 2.214 4.608 -0.447 1.00 0.00 ATOM 42 C GLU 10 3.363 4.208 -0.622 1.00 0.00 ATOM 43 N ASP 11 4.051 4.373 -1.742 1.00 0.00 ATOM 44 CA ASP 11 3.473 5.062 -2.883 1.00 0.00 ATOM 45 CB ASP 11 4.481 5.136 -4.031 1.00 0.00 ATOM 46 CG ASP 11 5.602 6.120 -3.759 1.00 0.00 ATOM 47 OD1 ASP 11 5.478 6.913 -2.803 1.00 0.00 ATOM 48 OD2 ASP 11 6.606 6.097 -4.502 1.00 0.00 ATOM 49 O ASP 11 1.182 4.903 -3.581 1.00 0.00 ATOM 50 C ASP 11 2.232 4.303 -3.356 1.00 0.00 ATOM 51 N VAL 12 2.393 2.996 -3.493 1.00 0.00 ATOM 52 CA VAL 12 1.300 2.149 -3.936 1.00 0.00 ATOM 53 CB VAL 12 1.734 0.676 -4.042 1.00 0.00 ATOM 54 CG1 VAL 12 0.531 -0.216 -4.312 1.00 0.00 ATOM 55 CG2 VAL 12 2.730 0.494 -5.177 1.00 0.00 ATOM 56 O VAL 12 -1.017 2.315 -3.328 1.00 0.00 ATOM 57 C VAL 12 0.148 2.246 -2.935 1.00 0.00 ATOM 58 N LEU 13 0.512 2.248 -1.661 1.00 0.00 ATOM 59 CA LEU 13 -0.478 2.336 -0.600 1.00 0.00 ATOM 60 CB LEU 13 0.203 2.304 0.771 1.00 0.00 ATOM 61 CG LEU 13 -0.719 2.407 1.987 1.00 0.00 ATOM 62 CD1 LEU 13 -1.685 1.231 2.030 1.00 0.00 ATOM 63 CD2 LEU 13 0.089 2.404 3.276 1.00 0.00 ATOM 64 O LEU 13 -2.482 3.656 -0.654 1.00 0.00 ATOM 65 C LEU 13 -1.256 3.646 -0.740 1.00 0.00 ATOM 66 N ASN 14 -0.510 4.720 -0.957 1.00 0.00 ATOM 67 CA ASN 14 -1.115 6.031 -1.110 1.00 0.00 ATOM 68 CB ASN 14 -0.037 7.115 -1.173 1.00 0.00 ATOM 69 CG ASN 14 0.623 7.359 0.171 1.00 0.00 ATOM 70 ND2 ASN 14 1.815 7.945 0.146 1.00 0.00 ATOM 71 OD1 ASN 14 0.066 7.024 1.216 1.00 0.00 ATOM 72 O ASN 14 -2.867 6.886 -2.510 1.00 0.00 ATOM 73 C ASN 14 -1.937 6.090 -2.398 1.00 0.00 ATOM 74 N ALA 15 -1.566 5.234 -3.339 1.00 0.00 ATOM 75 CA ALA 15 -2.258 5.177 -4.615 1.00 0.00 ATOM 76 CB ALA 15 -1.588 4.170 -5.537 1.00 0.00 ATOM 77 O ALA 15 -4.634 5.509 -4.685 1.00 0.00 ATOM 78 C ALA 15 -3.711 4.755 -4.385 1.00 0.00 ATOM 79 N LEU 16 -3.866 3.551 -3.853 1.00 0.00 ATOM 80 CA LEU 16 -5.190 3.020 -3.579 1.00 0.00 ATOM 81 CB LEU 16 -5.090 1.712 -2.790 1.00 0.00 ATOM 82 CG LEU 16 -4.502 0.515 -3.539 1.00 0.00 ATOM 83 CD1 LEU 16 -4.330 -0.671 -2.603 1.00 0.00 ATOM 84 CD2 LEU 16 -5.414 0.091 -4.679 1.00 0.00 ATOM 85 O LEU 16 -7.198 4.159 -2.916 1.00 0.00 ATOM 86 C LEU 16 -5.983 4.038 -2.756 1.00 0.00 ATOM 87 N LYS 17 -5.265 4.744 -1.896 1.00 0.00 ATOM 88 CA LYS 17 -5.886 5.748 -1.050 1.00 0.00 ATOM 89 CB LYS 17 -4.859 6.348 -0.087 1.00 0.00 ATOM 90 CG LYS 17 -5.433 7.381 0.869 1.00 0.00 ATOM 91 CD LYS 17 -4.377 7.881 1.841 1.00 0.00 ATOM 92 CE LYS 17 -4.937 8.951 2.764 1.00 0.00 ATOM 93 NZ LYS 17 -3.908 9.466 3.707 1.00 0.00 ATOM 94 O LYS 17 -7.628 7.224 -1.796 1.00 0.00 ATOM 95 C LYS 17 -6.458 6.865 -1.926 1.00 0.00 ATOM 96 N ASN 18 -5.608 7.383 -2.799 1.00 0.00 ATOM 97 CA ASN 18 -6.013 8.451 -3.696 1.00 0.00 ATOM 98 CB ASN 18 -4.951 8.681 -4.772 1.00 0.00 ATOM 99 CG ASN 18 -3.714 9.373 -4.233 1.00 0.00 ATOM 100 ND2 ASN 18 -2.628 9.319 -4.993 1.00 0.00 ATOM 101 OD1 ASN 18 -3.739 9.949 -3.145 1.00 0.00 ATOM 102 O ASN 18 -8.124 8.977 -4.714 1.00 0.00 ATOM 103 C ASN 18 -7.333 8.095 -4.384 1.00 0.00 ATOM 104 N VAL 19 -7.532 6.799 -4.578 1.00 0.00 ATOM 105 CA VAL 19 -8.742 6.315 -5.219 1.00 0.00 ATOM 106 CB VAL 19 -8.603 4.844 -5.653 1.00 0.00 ATOM 107 CG1 VAL 19 -9.926 4.318 -6.185 1.00 0.00 ATOM 108 CG2 VAL 19 -7.555 4.709 -6.748 1.00 0.00 ATOM 109 O VAL 19 -10.887 7.138 -4.523 1.00 0.00 ATOM 110 C VAL 19 -9.929 6.413 -4.259 1.00 0.00 ATOM 111 N ILE 20 -9.828 5.671 -3.166 1.00 0.00 ATOM 112 CA ILE 20 -10.883 5.666 -2.166 1.00 0.00 ATOM 113 CB ILE 20 -10.359 5.193 -0.797 1.00 0.00 ATOM 114 CG1 ILE 20 -9.980 3.711 -0.853 1.00 0.00 ATOM 115 CG2 ILE 20 -11.424 5.377 0.273 1.00 0.00 ATOM 116 CD1 ILE 20 -9.223 3.228 0.365 1.00 0.00 ATOM 117 O ILE 20 -12.616 7.258 -1.693 1.00 0.00 ATOM 118 C ILE 20 -11.440 7.081 -2.010 1.00 0.00 ATOM 119 N ASP 21 -10.572 8.055 -2.242 1.00 0.00 ATOM 120 CA ASP 21 -10.962 9.449 -2.132 1.00 0.00 ATOM 121 CB ASP 21 -9.730 10.355 -2.165 1.00 0.00 ATOM 122 CG ASP 21 -10.076 11.817 -1.957 1.00 0.00 ATOM 123 OD1 ASP 21 -11.281 12.145 -1.937 1.00 0.00 ATOM 124 OD2 ASP 21 -9.142 12.634 -1.816 1.00 0.00 ATOM 125 O ASP 21 -11.408 10.062 -4.411 1.00 0.00 ATOM 126 C ASP 21 -11.879 9.811 -3.302 1.00 0.00 ATOM 127 N PHE 22 -13.173 9.827 -3.017 1.00 0.00 ATOM 128 CA PHE 22 -14.160 10.154 -4.032 1.00 0.00 ATOM 129 CB PHE 22 -13.561 11.099 -5.077 1.00 0.00 ATOM 130 CG PHE 22 -13.140 12.429 -4.521 1.00 0.00 ATOM 131 CD1 PHE 22 -13.686 12.906 -3.342 1.00 0.00 ATOM 132 CD2 PHE 22 -12.196 13.201 -5.174 1.00 0.00 ATOM 133 CE1 PHE 22 -13.298 14.131 -2.830 1.00 0.00 ATOM 134 CE2 PHE 22 -11.808 14.424 -4.663 1.00 0.00 ATOM 135 CZ PHE 22 -12.355 14.890 -3.496 1.00 0.00 ATOM 136 O PHE 22 -15.559 8.901 -5.527 1.00 0.00 ATOM 137 C PHE 22 -14.623 8.874 -4.729 1.00 0.00 ATOM 138 N GLU 23 -13.946 7.781 -4.403 1.00 0.00 ATOM 139 CA GLU 23 -14.276 6.494 -4.988 1.00 0.00 ATOM 140 CB GLU 23 -13.053 5.891 -5.682 1.00 0.00 ATOM 141 CG GLU 23 -12.498 6.744 -6.812 1.00 0.00 ATOM 142 CD GLU 23 -13.408 6.771 -8.023 1.00 0.00 ATOM 143 OE1 GLU 23 -14.366 5.972 -8.063 1.00 0.00 ATOM 144 OE2 GLU 23 -13.162 7.591 -8.933 1.00 0.00 ATOM 145 O GLU 23 -14.795 5.878 -2.727 1.00 0.00 ATOM 146 C GLU 23 -14.747 5.523 -3.903 1.00 0.00 ATOM 147 N LEU 24 -15.081 4.317 -4.337 1.00 0.00 ATOM 148 CA LEU 24 -15.546 3.293 -3.418 1.00 0.00 ATOM 149 CB LEU 24 -14.594 3.169 -2.227 1.00 0.00 ATOM 150 CG LEU 24 -13.158 2.749 -2.548 1.00 0.00 ATOM 151 CD1 LEU 24 -12.298 2.770 -1.293 1.00 0.00 ATOM 152 CD2 LEU 24 -13.127 1.341 -3.120 1.00 0.00 ATOM 153 O LEU 24 -17.070 4.329 -1.879 1.00 0.00 ATOM 154 C LEU 24 -16.939 3.666 -2.906 1.00 0.00 ATOM 155 N GLY 25 -17.945 3.226 -3.649 1.00 0.00 ATOM 156 CA GLY 25 -19.323 3.505 -3.282 1.00 0.00 ATOM 157 O GLY 25 -19.238 2.416 -1.146 1.00 0.00 ATOM 158 C GLY 25 -19.511 3.442 -1.766 1.00 0.00 ATOM 159 N LEU 26 -19.978 4.552 -1.213 1.00 0.00 ATOM 160 CA LEU 26 -20.206 4.636 0.220 1.00 0.00 ATOM 161 CB LEU 26 -21.235 3.592 0.660 1.00 0.00 ATOM 162 CG LEU 26 -22.643 3.739 0.076 1.00 0.00 ATOM 163 CD1 LEU 26 -23.519 2.567 0.488 1.00 0.00 ATOM 164 CD2 LEU 26 -23.297 5.020 0.570 1.00 0.00 ATOM 165 O LEU 26 -18.531 3.233 1.213 1.00 0.00 ATOM 166 C LEU 26 -18.890 4.381 0.957 1.00 0.00 ATOM 167 N ASP 27 -18.207 5.470 1.278 1.00 0.00 ATOM 168 CA ASP 27 -16.940 5.379 1.982 1.00 0.00 ATOM 169 CB ASP 27 -16.654 6.676 2.741 1.00 0.00 ATOM 170 CG ASP 27 -16.268 7.817 1.820 1.00 0.00 ATOM 171 OD1 ASP 27 -16.087 7.568 0.610 1.00 0.00 ATOM 172 OD2 ASP 27 -16.148 8.960 2.308 1.00 0.00 ATOM 173 O ASP 27 -17.816 4.199 3.879 1.00 0.00 ATOM 174 C ASP 27 -16.972 4.225 2.986 1.00 0.00 ATOM 175 N VAL 28 -16.040 3.301 2.806 1.00 0.00 ATOM 176 CA VAL 28 -15.952 2.148 3.686 1.00 0.00 ATOM 177 CB VAL 28 -16.734 0.946 3.123 1.00 0.00 ATOM 178 CG1 VAL 28 -16.605 -0.255 4.047 1.00 0.00 ATOM 179 CG2 VAL 28 -18.209 1.289 2.983 1.00 0.00 ATOM 180 O VAL 28 -13.930 1.846 4.946 1.00 0.00 ATOM 181 C VAL 28 -14.492 1.721 3.859 1.00 0.00 ATOM 182 N VAL 29 -13.921 1.226 2.771 1.00 0.00 ATOM 183 CA VAL 29 -12.539 0.780 2.789 1.00 0.00 ATOM 184 CB VAL 29 -12.057 0.377 1.383 1.00 0.00 ATOM 185 CG1 VAL 29 -10.566 0.078 1.397 1.00 0.00 ATOM 186 CG2 VAL 29 -12.793 -0.864 0.903 1.00 0.00 ATOM 187 O VAL 29 -10.518 1.674 3.729 1.00 0.00 ATOM 188 C VAL 29 -11.647 1.913 3.303 1.00 0.00 ATOM 189 N SER 30 -12.190 3.120 3.245 1.00 0.00 ATOM 190 CA SER 30 -11.459 4.290 3.699 1.00 0.00 ATOM 191 CB SER 30 -12.317 5.549 3.553 1.00 0.00 ATOM 192 OG SER 30 -13.434 5.509 4.424 1.00 0.00 ATOM 193 O SER 30 -10.220 4.824 5.686 1.00 0.00 ATOM 194 C SER 30 -11.082 4.112 5.171 1.00 0.00 ATOM 195 N LEU 31 -11.743 3.157 5.807 1.00 0.00 ATOM 196 CA LEU 31 -11.488 2.875 7.210 1.00 0.00 ATOM 197 CB LEU 31 -12.776 2.438 7.911 1.00 0.00 ATOM 198 CG LEU 31 -13.906 3.468 7.956 1.00 0.00 ATOM 199 CD1 LEU 31 -15.151 2.872 8.594 1.00 0.00 ATOM 200 CD2 LEU 31 -13.492 4.686 8.767 1.00 0.00 ATOM 201 O LEU 31 -9.720 1.703 8.332 1.00 0.00 ATOM 202 C LEU 31 -10.456 1.755 7.350 1.00 0.00 ATOM 203 N GLY 32 -10.435 0.884 6.350 1.00 0.00 ATOM 204 CA GLY 32 -9.505 -0.232 6.349 1.00 0.00 ATOM 205 O GLY 32 -7.951 0.099 8.148 1.00 0.00 ATOM 206 C GLY 32 -8.154 0.179 6.938 1.00 0.00 ATOM 207 N LEU 33 -7.265 0.608 6.054 1.00 0.00 ATOM 208 CA LEU 33 -5.940 1.031 6.472 1.00 0.00 ATOM 209 CB LEU 33 -6.010 1.775 7.807 1.00 0.00 ATOM 210 CG LEU 33 -6.837 3.062 7.822 1.00 0.00 ATOM 211 CD1 LEU 33 -6.896 3.646 9.225 1.00 0.00 ATOM 212 CD2 LEU 33 -6.226 4.105 6.899 1.00 0.00 ATOM 213 O LEU 33 -4.906 -0.729 7.733 1.00 0.00 ATOM 214 C LEU 33 -5.038 -0.194 6.634 1.00 0.00 ATOM 215 N VAL 34 -4.440 -0.600 5.523 1.00 0.00 ATOM 216 CA VAL 34 -3.554 -1.752 5.530 1.00 0.00 ATOM 217 CB VAL 34 -3.062 -2.093 4.111 1.00 0.00 ATOM 218 CG1 VAL 34 -1.924 -3.100 4.168 1.00 0.00 ATOM 219 CG2 VAL 34 -4.192 -2.692 3.286 1.00 0.00 ATOM 220 O VAL 34 -1.997 -0.287 6.623 1.00 0.00 ATOM 221 C VAL 34 -2.338 -1.449 6.407 1.00 0.00 ATOM 222 N TYR 35 -1.715 -2.516 6.888 1.00 0.00 ATOM 223 CA TYR 35 -0.543 -2.379 7.736 1.00 0.00 ATOM 224 CB TYR 35 -0.887 -2.730 9.185 1.00 0.00 ATOM 225 CG TYR 35 -1.408 -4.138 9.368 1.00 0.00 ATOM 226 CD1 TYR 35 -0.534 -5.204 9.534 1.00 0.00 ATOM 227 CD2 TYR 35 -2.773 -4.396 9.372 1.00 0.00 ATOM 228 CE1 TYR 35 -1.001 -6.494 9.701 1.00 0.00 ATOM 229 CE2 TYR 35 -3.259 -5.680 9.538 1.00 0.00 ATOM 230 CZ TYR 35 -2.358 -6.730 9.703 1.00 0.00 ATOM 231 OH TYR 35 -2.826 -8.015 9.868 1.00 0.00 ATOM 232 O TYR 35 1.592 -3.460 7.932 1.00 0.00 ATOM 233 C TYR 35 0.570 -3.314 7.262 1.00 0.00 ATOM 234 N ASP 36 0.336 -3.926 6.110 1.00 0.00 ATOM 235 CA ASP 36 1.307 -4.843 5.539 1.00 0.00 ATOM 236 CB ASP 36 0.983 -6.284 5.942 1.00 0.00 ATOM 237 CG ASP 36 2.040 -7.267 5.479 1.00 0.00 ATOM 238 OD1 ASP 36 3.006 -6.836 4.817 1.00 0.00 ATOM 239 OD2 ASP 36 1.901 -8.471 5.781 1.00 0.00 ATOM 240 O ASP 36 2.259 -4.329 3.395 1.00 0.00 ATOM 241 C ASP 36 1.277 -4.738 4.013 1.00 0.00 ATOM 242 N ILE 37 0.138 -5.113 3.448 1.00 0.00 ATOM 243 CA ILE 37 -0.033 -5.065 2.006 1.00 0.00 ATOM 244 CB ILE 37 -0.349 -3.636 1.523 1.00 0.00 ATOM 245 CG1 ILE 37 -1.635 -3.126 2.173 1.00 0.00 ATOM 246 CG2 ILE 37 -0.529 -3.614 0.012 1.00 0.00 ATOM 247 CD1 ILE 37 -1.931 -1.671 1.881 1.00 0.00 ATOM 248 O ILE 37 2.146 -4.730 1.053 1.00 0.00 ATOM 249 C ILE 37 1.256 -5.533 1.328 1.00 0.00 ATOM 250 N GLN 38 1.316 -6.834 1.078 1.00 0.00 ATOM 251 CA GLN 38 2.481 -7.420 0.437 1.00 0.00 ATOM 252 CB GLN 38 2.536 -8.926 0.700 1.00 0.00 ATOM 253 CG GLN 38 3.746 -9.619 0.096 1.00 0.00 ATOM 254 CD GLN 38 3.835 -11.081 0.482 1.00 0.00 ATOM 255 OE1 GLN 38 3.008 -11.583 1.244 1.00 0.00 ATOM 256 NE2 GLN 38 4.841 -11.771 -0.042 1.00 0.00 ATOM 257 O GLN 38 1.387 -7.473 -1.699 1.00 0.00 ATOM 258 C GLN 38 2.403 -7.179 -1.071 1.00 0.00 ATOM 259 N ILE 39 3.491 -6.646 -1.610 1.00 0.00 ATOM 260 CA ILE 39 3.558 -6.361 -3.034 1.00 0.00 ATOM 261 CB ILE 39 4.462 -5.149 -3.324 1.00 0.00 ATOM 262 CG1 ILE 39 3.924 -3.902 -2.622 1.00 0.00 ATOM 263 CG2 ILE 39 4.519 -4.874 -4.820 1.00 0.00 ATOM 264 CD1 ILE 39 4.863 -2.715 -2.678 1.00 0.00 ATOM 265 O ILE 39 5.289 -7.936 -3.575 1.00 0.00 ATOM 266 C ILE 39 4.126 -7.579 -3.766 1.00 0.00 ATOM 267 N ASP 40 3.282 -8.182 -4.588 1.00 0.00 ATOM 268 CA ASP 40 3.684 -9.353 -5.348 1.00 0.00 ATOM 269 CB ASP 40 2.473 -10.235 -5.656 1.00 0.00 ATOM 270 CG ASP 40 2.847 -11.495 -6.414 1.00 0.00 ATOM 271 OD1 ASP 40 4.026 -11.627 -6.800 1.00 0.00 ATOM 272 OD2 ASP 40 1.959 -12.348 -6.619 1.00 0.00 ATOM 273 O ASP 40 3.638 -8.436 -7.568 1.00 0.00 ATOM 274 C ASP 40 4.325 -8.922 -6.670 1.00 0.00 ATOM 275 N ASP 41 5.634 -9.115 -6.747 1.00 0.00 ATOM 276 CA ASP 41 6.375 -8.752 -7.942 1.00 0.00 ATOM 277 CB ASP 41 5.554 -9.059 -9.196 1.00 0.00 ATOM 278 CG ASP 41 6.329 -8.812 -10.475 1.00 0.00 ATOM 279 OD1 ASP 41 7.484 -8.344 -10.389 1.00 0.00 ATOM 280 OD2 ASP 41 5.781 -9.087 -11.563 1.00 0.00 ATOM 281 O ASP 41 7.847 -6.865 -7.752 1.00 0.00 ATOM 282 C ASP 41 6.692 -7.256 -7.907 1.00 0.00 ATOM 283 N GLN 42 5.643 -6.458 -8.054 1.00 0.00 ATOM 284 CA GLN 42 5.793 -5.014 -8.042 1.00 0.00 ATOM 285 CB GLN 42 6.511 -4.538 -9.307 1.00 0.00 ATOM 286 CG GLN 42 6.776 -3.043 -9.344 1.00 0.00 ATOM 287 CD GLN 42 7.560 -2.620 -10.573 1.00 0.00 ATOM 288 OE1 GLN 42 7.891 -3.447 -11.423 1.00 0.00 ATOM 289 NE2 GLN 42 7.856 -1.330 -10.669 1.00 0.00 ATOM 290 O GLN 42 4.152 -3.533 -7.104 1.00 0.00 ATOM 291 C GLN 42 4.412 -4.361 -7.976 1.00 0.00 ATOM 292 N ASN 43 3.560 -4.760 -8.910 1.00 0.00 ATOM 293 CA ASN 43 2.210 -4.224 -8.970 1.00 0.00 ATOM 294 CB ASN 43 2.167 -2.978 -9.856 1.00 0.00 ATOM 295 CG ASN 43 2.503 -3.281 -11.304 1.00 0.00 ATOM 296 ND2 ASN 43 2.493 -2.249 -12.139 1.00 0.00 ATOM 297 OD1 ASN 43 2.768 -4.428 -11.663 1.00 0.00 ATOM 298 O ASN 43 0.178 -4.961 -10.013 1.00 0.00 ATOM 299 C ASN 43 1.272 -5.282 -9.550 1.00 0.00 ATOM 303 N VAL 45 1.731 -6.524 -9.507 1.00 0.00 ATOM 304 CA VAL 45 0.945 -7.632 -10.023 1.00 0.00 ATOM 305 CB VAL 45 1.809 -8.892 -10.223 1.00 0.00 ATOM 306 CG1 VAL 45 0.945 -10.067 -10.652 1.00 0.00 ATOM 307 CG2 VAL 45 2.861 -8.651 -11.295 1.00 0.00 ATOM 308 O VAL 45 -1.352 -7.882 -9.377 1.00 0.00 ATOM 309 C VAL 45 -0.174 -7.962 -9.035 1.00 0.00 ATOM 310 N LYS 46 0.234 -8.326 -7.828 1.00 0.00 ATOM 311 CA LYS 46 -0.720 -8.668 -6.787 1.00 0.00 ATOM 312 CB LYS 46 -0.613 -10.152 -6.429 1.00 0.00 ATOM 313 CG LYS 46 -1.013 -11.092 -7.554 1.00 0.00 ATOM 314 CD LYS 46 -0.927 -12.545 -7.115 1.00 0.00 ATOM 315 CE LYS 46 -1.301 -13.487 -8.250 1.00 0.00 ATOM 316 NZ LYS 46 -1.211 -14.914 -7.837 1.00 0.00 ATOM 317 O LYS 46 0.717 -7.528 -5.238 1.00 0.00 ATOM 318 C LYS 46 -0.435 -7.836 -5.536 1.00 0.00 ATOM 319 N VAL 47 -1.508 -7.493 -4.836 1.00 0.00 ATOM 320 CA VAL 47 -1.388 -6.701 -3.623 1.00 0.00 ATOM 321 CB VAL 47 -1.891 -5.261 -3.837 1.00 0.00 ATOM 322 CG1 VAL 47 -1.756 -4.454 -2.555 1.00 0.00 ATOM 323 CG2 VAL 47 -1.083 -4.572 -4.926 1.00 0.00 ATOM 324 O VAL 47 -3.430 -7.136 -2.439 1.00 0.00 ATOM 325 C VAL 47 -2.221 -7.347 -2.514 1.00 0.00 ATOM 326 N LEU 48 -1.541 -8.118 -1.678 1.00 0.00 ATOM 327 CA LEU 48 -2.204 -8.795 -0.577 1.00 0.00 ATOM 328 CB LEU 48 -1.349 -9.960 -0.071 1.00 0.00 ATOM 329 CG LEU 48 -1.088 -11.092 -1.067 1.00 0.00 ATOM 330 CD1 LEU 48 -0.196 -12.158 -0.448 1.00 0.00 ATOM 331 CD2 LEU 48 -2.394 -11.749 -1.487 1.00 0.00 ATOM 332 O LEU 48 -1.641 -7.771 1.521 1.00 0.00 ATOM 333 C LEU 48 -2.435 -7.824 0.583 1.00 0.00 ATOM 334 N MET 49 -3.527 -7.082 0.482 1.00 0.00 ATOM 335 CA MET 49 -3.874 -6.116 1.510 1.00 0.00 ATOM 336 CB MET 49 -4.868 -5.088 0.967 1.00 0.00 ATOM 337 CG MET 49 -4.282 -4.150 -0.076 1.00 0.00 ATOM 338 SD MET 49 -5.514 -3.037 -0.781 1.00 0.00 ATOM 339 CE MET 49 -6.320 -4.123 -1.954 1.00 0.00 ATOM 340 O MET 49 -5.618 -7.365 2.589 1.00 0.00 ATOM 341 C MET 49 -4.508 -6.846 2.697 1.00 0.00 ATOM 342 N THR 50 -3.775 -6.863 3.800 1.00 0.00 ATOM 343 CA THR 50 -4.252 -7.521 5.005 1.00 0.00 ATOM 344 CB THR 50 -3.164 -7.563 6.093 1.00 0.00 ATOM 345 CG2 THR 50 -1.944 -8.325 5.599 1.00 0.00 ATOM 346 OG1 THR 50 -2.770 -6.227 6.431 1.00 0.00 ATOM 347 O THR 50 -6.309 -7.400 6.238 1.00 0.00 ATOM 348 C THR 50 -5.463 -6.789 5.587 1.00 0.00 ATOM 349 N MET 51 -5.507 -5.489 5.333 1.00 0.00 ATOM 350 CA MET 51 -6.600 -4.667 5.823 1.00 0.00 ATOM 351 CB MET 51 -7.943 -5.213 5.332 1.00 0.00 ATOM 352 CG MET 51 -8.103 -5.200 3.822 1.00 0.00 ATOM 353 SD MET 51 -8.112 -3.532 3.137 1.00 0.00 ATOM 354 CE MET 51 -8.073 -3.884 1.383 1.00 0.00 ATOM 355 O MET 51 -6.385 -5.714 7.973 1.00 0.00 ATOM 356 C MET 51 -6.587 -4.671 7.353 1.00 0.00 ATOM 357 N THR 52 -6.807 -3.492 7.917 1.00 0.00 ATOM 358 CA THR 52 -6.823 -3.346 9.363 1.00 0.00 ATOM 359 CB THR 52 -5.411 -3.096 9.921 1.00 0.00 ATOM 360 CG2 THR 52 -5.427 -3.119 11.442 1.00 0.00 ATOM 361 OG1 THR 52 -4.521 -4.117 9.451 1.00 0.00 ATOM 362 O THR 52 -7.215 -1.106 10.133 1.00 0.00 ATOM 363 C THR 52 -7.714 -2.161 9.741 1.00 0.00 ATOM 364 N THR 53 -9.015 -2.373 9.610 1.00 0.00 ATOM 365 CA THR 53 -9.978 -1.334 9.933 1.00 0.00 ATOM 366 CB THR 53 -11.392 -1.705 9.449 1.00 0.00 ATOM 367 CG2 THR 53 -11.399 -1.923 7.943 1.00 0.00 ATOM 368 OG1 THR 53 -11.820 -2.911 10.095 1.00 0.00 ATOM 369 O THR 53 -8.986 -1.349 12.119 1.00 0.00 ATOM 370 C THR 53 -10.001 -1.155 11.452 1.00 0.00 ATOM 371 N PRO 54 -11.169 -0.786 11.956 1.00 0.00 ATOM 372 CA PRO 54 -11.337 -0.579 13.383 1.00 0.00 ATOM 373 CB PRO 54 -12.854 -0.586 13.582 1.00 0.00 ATOM 374 CG PRO 54 -13.400 -0.024 12.312 1.00 0.00 ATOM 375 CD PRO 54 -12.590 -0.635 11.204 1.00 0.00 ATOM 376 O PRO 54 -9.708 -1.447 14.918 1.00 0.00 ATOM 377 C PRO 54 -10.662 -1.695 14.183 1.00 0.00 ATOM 378 N MET 55 -11.184 -2.901 14.012 1.00 0.00 ATOM 379 CA MET 55 -10.645 -4.057 14.708 1.00 0.00 ATOM 380 CB MET 55 -11.010 -4.006 16.193 1.00 0.00 ATOM 381 CG MET 55 -10.376 -5.110 17.025 1.00 0.00 ATOM 382 SD MET 55 -10.824 -5.011 18.768 1.00 0.00 ATOM 383 CE MET 55 -9.891 -3.568 19.275 1.00 0.00 ATOM 384 O MET 55 -11.466 -6.310 14.801 1.00 0.00 ATOM 385 C MET 55 -11.224 -5.333 14.094 1.00 0.00 ATOM 386 N CYS 56 -11.429 -5.282 12.786 1.00 0.00 ATOM 387 CA CYS 56 -11.976 -6.421 12.070 1.00 0.00 ATOM 388 CB CYS 56 -11.346 -7.722 12.572 1.00 0.00 ATOM 389 SG CYS 56 -9.543 -7.779 12.438 1.00 0.00 ATOM 390 O CYS 56 -14.146 -7.396 11.744 1.00 0.00 ATOM 391 C CYS 56 -13.489 -6.504 12.277 1.00 0.00 ATOM 392 N PRO 57 -14.000 -5.559 13.054 1.00 0.00 ATOM 393 CA PRO 57 -15.424 -5.511 13.337 1.00 0.00 ATOM 394 CB PRO 57 -15.518 -4.699 14.631 1.00 0.00 ATOM 395 CG PRO 57 -14.343 -3.779 14.580 1.00 0.00 ATOM 396 CD PRO 57 -13.237 -4.551 13.915 1.00 0.00 ATOM 397 O PRO 57 -17.400 -4.897 12.118 1.00 0.00 ATOM 398 C PRO 57 -16.173 -4.834 12.187 1.00 0.00 ATOM 399 N LEU 58 -15.404 -4.203 11.313 1.00 0.00 ATOM 400 CA LEU 58 -15.979 -3.515 10.169 1.00 0.00 ATOM 401 CB LEU 58 -15.642 -2.025 10.214 1.00 0.00 ATOM 402 CG LEU 58 -16.173 -1.246 11.420 1.00 0.00 ATOM 403 CD1 LEU 58 -15.636 0.177 11.420 1.00 0.00 ATOM 404 CD2 LEU 58 -17.691 -1.182 11.392 1.00 0.00 ATOM 405 O LEU 58 -15.869 -3.728 7.780 1.00 0.00 ATOM 406 C LEU 58 -15.427 -4.098 8.867 1.00 0.00 ATOM 407 N ALA 59 -14.469 -5.001 9.019 1.00 0.00 ATOM 408 CA ALA 59 -13.852 -5.638 7.868 1.00 0.00 ATOM 409 CB ALA 59 -13.034 -6.845 8.305 1.00 0.00 ATOM 410 O ALA 59 -14.904 -5.773 5.714 1.00 0.00 ATOM 411 C ALA 59 -14.942 -6.098 6.900 1.00 0.00 ATOM 412 N GLY 60 -15.892 -6.849 7.440 1.00 0.00 ATOM 413 CA GLY 60 -16.992 -7.356 6.639 1.00 0.00 ATOM 414 O GLY 60 -17.823 -6.555 4.533 1.00 0.00 ATOM 415 C GLY 60 -17.458 -6.266 5.671 1.00 0.00 ATOM 416 N MET 61 -17.432 -5.035 6.160 1.00 0.00 ATOM 417 CA MET 61 -17.848 -3.901 5.354 1.00 0.00 ATOM 418 CB MET 61 -18.221 -2.715 6.247 1.00 0.00 ATOM 419 CG MET 61 -19.478 -2.932 7.072 1.00 0.00 ATOM 420 SD MET 61 -19.839 -1.546 8.168 1.00 0.00 ATOM 421 CE MET 61 -20.378 -0.313 6.986 1.00 0.00 ATOM 422 O MET 61 -16.941 -3.216 3.238 1.00 0.00 ATOM 423 C MET 61 -16.714 -3.468 4.422 1.00 0.00 ATOM 424 N ILE 62 -15.519 -3.397 4.987 1.00 0.00 ATOM 425 CA ILE 62 -14.351 -3.000 4.223 1.00 0.00 ATOM 426 CB ILE 62 -13.104 -2.877 5.118 1.00 0.00 ATOM 427 CG1 ILE 62 -13.314 -1.793 6.179 1.00 0.00 ATOM 428 CG2 ILE 62 -11.884 -2.508 4.288 1.00 0.00 ATOM 429 CD1 ILE 62 -13.526 -0.410 5.605 1.00 0.00 ATOM 430 O ILE 62 -14.168 -3.758 1.951 1.00 0.00 ATOM 431 C ILE 62 -14.072 -4.048 3.144 1.00 0.00 ATOM 432 N LEU 63 -13.735 -5.245 3.599 1.00 0.00 ATOM 433 CA LEU 63 -13.443 -6.338 2.687 1.00 0.00 ATOM 434 CB LEU 63 -13.361 -7.663 3.449 1.00 0.00 ATOM 435 CG LEU 63 -13.067 -8.909 2.610 1.00 0.00 ATOM 436 CD1 LEU 63 -11.699 -8.805 1.954 1.00 0.00 ATOM 437 CD2 LEU 63 -13.084 -10.157 3.479 1.00 0.00 ATOM 438 O LEU 63 -14.277 -6.567 0.448 1.00 0.00 ATOM 439 C LEU 63 -14.552 -6.433 1.639 1.00 0.00 ATOM 440 N SER 64 -15.784 -6.359 2.120 1.00 0.00 ATOM 441 CA SER 64 -16.938 -6.434 1.238 1.00 0.00 ATOM 442 CB SER 64 -18.234 -6.324 2.043 1.00 0.00 ATOM 443 OG SER 64 -18.357 -5.045 2.642 1.00 0.00 ATOM 444 O SER 64 -17.417 -5.459 -0.901 1.00 0.00 ATOM 445 C SER 64 -16.917 -5.301 0.210 1.00 0.00 ATOM 446 N ASP 65 -16.332 -4.184 0.619 1.00 0.00 ATOM 447 CA ASP 65 -16.240 -3.027 -0.252 1.00 0.00 ATOM 448 CB ASP 65 -15.923 -1.770 0.559 1.00 0.00 ATOM 449 CG ASP 65 -15.965 -0.508 -0.281 1.00 0.00 ATOM 450 OD1 ASP 65 -17.030 -0.218 -0.865 1.00 0.00 ATOM 451 OD2 ASP 65 -14.932 0.191 -0.353 1.00 0.00 ATOM 452 O ASP 65 -15.293 -2.956 -2.458 1.00 0.00 ATOM 453 C ASP 65 -15.125 -3.253 -1.278 1.00 0.00 ATOM 454 N ALA 66 -14.011 -3.776 -0.785 1.00 0.00 ATOM 455 CA ALA 66 -12.870 -4.047 -1.645 1.00 0.00 ATOM 456 CB ALA 66 -11.764 -4.732 -0.857 1.00 0.00 ATOM 457 O ALA 66 -12.630 -4.928 -3.864 1.00 0.00 ATOM 458 C ALA 66 -13.262 -4.957 -2.809 1.00 0.00 ATOM 459 N GLU 67 -14.301 -5.744 -2.578 1.00 0.00 ATOM 460 CA GLU 67 -14.786 -6.663 -3.596 1.00 0.00 ATOM 461 CB GLU 67 -15.982 -7.460 -3.073 1.00 0.00 ATOM 462 CG GLU 67 -16.534 -8.474 -4.063 1.00 0.00 ATOM 463 CD GLU 67 -17.748 -9.207 -3.528 1.00 0.00 ATOM 464 OE1 GLU 67 -18.148 -8.937 -2.376 1.00 0.00 ATOM 465 OE2 GLU 67 -18.300 -10.054 -4.262 1.00 0.00 ATOM 466 O GLU 67 -14.711 -6.095 -5.927 1.00 0.00 ATOM 467 C GLU 67 -15.218 -5.867 -4.830 1.00 0.00 ATOM 468 N GLU 68 -16.149 -4.951 -4.609 1.00 0.00 ATOM 469 CA GLU 68 -16.654 -4.122 -5.689 1.00 0.00 ATOM 470 CB GLU 68 -17.972 -3.458 -5.284 1.00 0.00 ATOM 471 CG GLU 68 -19.125 -4.431 -5.093 1.00 0.00 ATOM 472 CD GLU 68 -20.393 -3.747 -4.625 1.00 0.00 ATOM 473 OE1 GLU 68 -20.368 -2.512 -4.437 1.00 0.00 ATOM 474 OE2 GLU 68 -21.413 -4.446 -4.447 1.00 0.00 ATOM 475 O GLU 68 -15.626 -2.525 -7.157 1.00 0.00 ATOM 476 C GLU 68 -15.644 -3.025 -6.033 1.00 0.00 ATOM 477 N ALA 69 -14.829 -2.686 -5.046 1.00 0.00 ATOM 478 CA ALA 69 -13.818 -1.658 -5.232 1.00 0.00 ATOM 479 CB ALA 69 -13.366 -1.110 -3.887 1.00 0.00 ATOM 480 O ALA 69 -11.642 -1.559 -6.246 1.00 0.00 ATOM 481 C ALA 69 -12.612 -2.260 -5.957 1.00 0.00 ATOM 482 N ILE 70 -3.527 0.036 -13.224 1.00 0.00 ATOM 483 CA ILE 70 -3.825 0.131 -14.642 1.00 0.00 ATOM 484 CB ILE 70 -5.342 0.090 -14.906 1.00 0.00 ATOM 485 CG1 ILE 70 -5.904 -1.291 -14.564 1.00 0.00 ATOM 486 CG2 ILE 70 -5.637 0.380 -16.370 1.00 0.00 ATOM 487 CD1 ILE 70 -7.416 -1.347 -14.538 1.00 0.00 ATOM 488 O ILE 70 -2.794 1.509 -16.318 1.00 0.00 ATOM 489 C ILE 70 -3.273 1.451 -15.186 1.00 0.00 ATOM 490 N LYS 71 -3.360 2.479 -14.355 1.00 0.00 ATOM 491 CA LYS 71 -2.874 3.794 -14.738 1.00 0.00 ATOM 492 CB LYS 71 -2.852 4.731 -13.528 1.00 0.00 ATOM 493 CG LYS 71 -4.232 5.087 -12.994 1.00 0.00 ATOM 494 CD LYS 71 -4.135 6.004 -11.787 1.00 0.00 ATOM 495 CE LYS 71 -5.514 6.367 -11.258 1.00 0.00 ATOM 496 NZ LYS 71 -5.435 7.273 -10.079 1.00 0.00 ATOM 497 O LYS 71 -1.001 4.547 -16.036 1.00 0.00 ATOM 498 C LYS 71 -1.455 3.675 -15.297 1.00 0.00 ATOM 499 N LYS 72 -0.795 2.589 -14.922 1.00 0.00 ATOM 500 CA LYS 72 0.563 2.344 -15.376 1.00 0.00 ATOM 501 CB LYS 72 1.426 1.820 -14.226 1.00 0.00 ATOM 502 CG LYS 72 1.655 2.830 -13.113 1.00 0.00 ATOM 503 CD LYS 72 2.544 2.255 -12.021 1.00 0.00 ATOM 504 CE LYS 72 2.779 3.267 -10.912 1.00 0.00 ATOM 505 NZ LYS 72 3.691 2.736 -9.860 1.00 0.00 ATOM 506 O LYS 72 0.634 1.653 -17.674 1.00 0.00 ATOM 507 C LYS 72 0.543 1.304 -16.498 1.00 0.00 ATOM 508 N ILE 73 0.420 0.048 -16.094 1.00 0.00 ATOM 509 CA ILE 73 0.384 -1.045 -17.052 1.00 0.00 ATOM 510 CB ILE 73 0.657 -2.400 -16.372 1.00 0.00 ATOM 511 CG1 ILE 73 2.074 -2.431 -15.794 1.00 0.00 ATOM 512 CG2 ILE 73 0.519 -3.536 -17.374 1.00 0.00 ATOM 513 CD1 ILE 73 2.344 -3.625 -14.905 1.00 0.00 ATOM 514 O ILE 73 -1.761 -0.138 -17.635 1.00 0.00 ATOM 515 C ILE 73 -0.997 -1.100 -17.707 1.00 0.00 ATOM 516 N GLU 74 -1.276 -2.233 -18.333 1.00 0.00 ATOM 517 CA GLU 74 -2.552 -2.426 -19.001 1.00 0.00 ATOM 518 CB GLU 74 -2.677 -1.480 -20.197 1.00 0.00 ATOM 519 CG GLU 74 -4.014 -1.562 -20.915 1.00 0.00 ATOM 520 CD GLU 74 -4.120 -0.577 -22.062 1.00 0.00 ATOM 521 OE1 GLU 74 -3.145 0.168 -22.298 1.00 0.00 ATOM 522 OE2 GLU 74 -5.177 -0.551 -22.728 1.00 0.00 ATOM 523 O GLU 74 -2.641 -4.103 -20.717 1.00 0.00 ATOM 524 C GLU 74 -2.692 -3.862 -19.511 1.00 0.00 ATOM 525 N GLY 75 -2.866 -4.776 -18.568 1.00 0.00 ATOM 526 CA GLY 75 -3.014 -6.181 -18.909 1.00 0.00 ATOM 527 O GLY 75 -3.264 -6.626 -16.562 1.00 0.00 ATOM 528 C GLY 75 -3.591 -6.934 -17.708 1.00 0.00 ATOM 529 N VAL 76 -4.440 -7.905 -18.012 1.00 0.00 ATOM 530 CA VAL 76 -5.067 -8.702 -16.971 1.00 0.00 ATOM 531 CB VAL 76 -5.882 -9.866 -17.566 1.00 0.00 ATOM 532 CG1 VAL 76 -6.353 -10.804 -16.465 1.00 0.00 ATOM 533 CG2 VAL 76 -7.104 -9.338 -18.302 1.00 0.00 ATOM 534 O VAL 76 -3.856 -8.877 -14.906 1.00 0.00 ATOM 535 C VAL 76 -3.984 -9.284 -16.059 1.00 0.00 ATOM 536 N ASN 77 -3.234 -10.226 -16.610 1.00 0.00 ATOM 537 CA ASN 77 -2.167 -10.866 -15.861 1.00 0.00 ATOM 538 CB ASN 77 -1.809 -12.216 -16.486 1.00 0.00 ATOM 539 CG ASN 77 -0.820 -13.003 -15.648 1.00 0.00 ATOM 540 ND2 ASN 77 -0.136 -13.950 -16.277 1.00 0.00 ATOM 541 OD1 ASN 77 -0.677 -12.760 -14.449 1.00 0.00 ATOM 542 O ASN 77 0.057 -10.272 -16.540 1.00 0.00 ATOM 543 C ASN 77 -0.929 -9.967 -15.873 1.00 0.00 ATOM 544 N ASN 78 -1.023 -8.877 -15.126 1.00 0.00 ATOM 545 CA ASN 78 0.075 -7.930 -15.041 1.00 0.00 ATOM 546 CB ASN 78 0.082 -7.007 -16.260 1.00 0.00 ATOM 547 CG ASN 78 0.487 -7.724 -17.534 1.00 0.00 ATOM 548 ND2 ASN 78 0.078 -7.179 -18.674 1.00 0.00 ATOM 549 OD1 ASN 78 1.157 -8.755 -17.490 1.00 0.00 ATOM 550 O ASN 78 0.889 -6.854 -13.055 1.00 0.00 ATOM 551 C ASN 78 -0.080 -7.085 -13.776 1.00 0.00 ATOM 552 N VAL 79 -1.309 -6.647 -13.543 1.00 0.00 ATOM 553 CA VAL 79 -1.605 -5.832 -12.378 1.00 0.00 ATOM 554 CB VAL 79 -1.652 -4.334 -12.733 1.00 0.00 ATOM 555 CG1 VAL 79 -0.298 -3.864 -13.239 1.00 0.00 ATOM 556 CG2 VAL 79 -2.686 -4.077 -13.818 1.00 0.00 ATOM 557 O VAL 79 -3.810 -6.772 -12.526 1.00 0.00 ATOM 558 C VAL 79 -2.964 -6.239 -11.807 1.00 0.00 ATOM 559 N GLU 80 -3.134 -5.976 -10.520 1.00 0.00 ATOM 560 CA GLU 80 -4.376 -6.310 -9.846 1.00 0.00 ATOM 561 CB GLU 80 -4.919 -7.648 -10.352 1.00 0.00 ATOM 562 CG GLU 80 -4.029 -8.838 -10.033 1.00 0.00 ATOM 563 CD GLU 80 -4.567 -10.136 -10.605 1.00 0.00 ATOM 564 OE1 GLU 80 -5.619 -10.100 -11.276 1.00 0.00 ATOM 565 OE2 GLU 80 -3.936 -11.190 -10.379 1.00 0.00 ATOM 566 O GLU 80 -3.106 -6.898 -7.895 1.00 0.00 ATOM 567 C GLU 80 -4.148 -6.417 -8.335 1.00 0.00 ATOM 568 N VAL 81 -5.141 -5.962 -7.585 1.00 0.00 ATOM 569 CA VAL 81 -5.062 -6.000 -6.135 1.00 0.00 ATOM 570 CB VAL 81 -5.665 -4.733 -5.503 1.00 0.00 ATOM 571 CG1 VAL 81 -4.884 -3.500 -5.931 1.00 0.00 ATOM 572 CG2 VAL 81 -7.113 -4.559 -5.936 1.00 0.00 ATOM 573 O VAL 81 -6.829 -7.624 -6.217 1.00 0.00 ATOM 574 C VAL 81 -5.835 -7.216 -5.619 1.00 0.00 ATOM 575 N GLU 82 -5.347 -7.761 -4.514 1.00 0.00 ATOM 576 CA GLU 82 -5.979 -8.922 -3.910 1.00 0.00 ATOM 577 CB GLU 82 -5.056 -10.139 -3.995 1.00 0.00 ATOM 578 CG GLU 82 -5.651 -11.411 -3.410 1.00 0.00 ATOM 579 CD GLU 82 -4.751 -12.616 -3.601 1.00 0.00 ATOM 580 OE1 GLU 82 -3.639 -12.447 -4.146 1.00 0.00 ATOM 581 OE2 GLU 82 -5.157 -13.729 -3.208 1.00 0.00 ATOM 582 O GLU 82 -5.410 -8.200 -1.693 1.00 0.00 ATOM 583 C GLU 82 -6.285 -8.632 -2.440 1.00 0.00 ATOM 584 N LEU 83 -7.533 -8.883 -2.068 1.00 0.00 ATOM 585 CA LEU 83 -7.966 -8.655 -0.700 1.00 0.00 ATOM 586 CB LEU 83 -9.490 -8.541 -0.632 1.00 0.00 ATOM 587 CG LEU 83 -10.116 -7.372 -1.398 1.00 0.00 ATOM 588 CD1 LEU 83 -11.634 -7.435 -1.326 1.00 0.00 ATOM 589 CD2 LEU 83 -9.666 -6.043 -0.811 1.00 0.00 ATOM 590 O LEU 83 -7.674 -10.974 -0.149 1.00 0.00 ATOM 591 C LEU 83 -7.533 -9.805 0.211 1.00 0.00 ATOM 592 N THR 84 -7.016 -9.436 1.374 1.00 0.00 ATOM 593 CA THR 84 -6.562 -10.422 2.338 1.00 0.00 ATOM 594 CB THR 84 -5.032 -10.593 2.293 1.00 0.00 ATOM 595 CG2 THR 84 -4.587 -11.672 3.269 1.00 0.00 ATOM 596 OG1 THR 84 -4.629 -10.970 0.970 1.00 0.00 ATOM 597 O THR 84 -7.100 -8.779 4.004 1.00 0.00 ATOM 598 C THR 84 -6.959 -9.973 3.746 1.00 0.00 ATOM 599 N PHE 85 -7.129 -10.953 4.620 1.00 0.00 ATOM 600 CA PHE 85 -7.507 -10.674 5.995 1.00 0.00 ATOM 601 CB PHE 85 -8.839 -11.347 6.332 1.00 0.00 ATOM 602 CG PHE 85 -9.309 -11.091 7.735 1.00 0.00 ATOM 603 CD1 PHE 85 -9.912 -9.892 8.071 1.00 0.00 ATOM 604 CD2 PHE 85 -9.148 -12.051 8.720 1.00 0.00 ATOM 605 CE1 PHE 85 -10.345 -9.657 9.362 1.00 0.00 ATOM 606 CE2 PHE 85 -9.582 -11.815 10.012 1.00 0.00 ATOM 607 CZ PHE 85 -10.177 -10.625 10.334 1.00 0.00 ATOM 608 O PHE 85 -5.974 -10.501 7.835 1.00 0.00 ATOM 609 C PHE 85 -6.425 -11.209 6.936 1.00 0.00 ATOM 610 N ASP 86 -6.041 -12.455 6.696 1.00 0.00 ATOM 611 CA ASP 86 -5.021 -13.092 7.511 1.00 0.00 ATOM 612 CB ASP 86 -5.574 -13.425 8.899 1.00 0.00 ATOM 613 CG ASP 86 -4.509 -13.952 9.839 1.00 0.00 ATOM 614 OD1 ASP 86 -3.502 -13.245 10.052 1.00 0.00 ATOM 615 OD2 ASP 86 -4.682 -15.073 10.364 1.00 0.00 ATOM 616 O ASP 86 -4.813 -15.477 7.337 1.00 0.00 ATOM 617 C ASP 86 -4.565 -14.384 6.830 1.00 0.00 ATOM 618 N PRO 87 -3.908 -14.216 5.693 1.00 0.00 ATOM 619 CA PRO 87 -3.415 -15.357 4.938 1.00 0.00 ATOM 620 CB PRO 87 -2.434 -16.039 5.895 1.00 0.00 ATOM 621 CG PRO 87 -2.952 -15.711 7.255 1.00 0.00 ATOM 622 CD PRO 87 -3.527 -14.325 7.160 1.00 0.00 ATOM 623 O PRO 87 -4.411 -17.466 4.370 1.00 0.00 ATOM 624 C PRO 87 -4.589 -16.264 4.570 1.00 0.00 ATOM 625 N PRO 88 -5.765 -15.658 4.492 1.00 0.00 ATOM 626 CA PRO 88 -6.967 -16.396 4.152 1.00 0.00 ATOM 627 CB PRO 88 -6.488 -17.439 3.140 1.00 0.00 ATOM 628 CG PRO 88 -5.053 -17.662 3.486 1.00 0.00 ATOM 629 CD PRO 88 -4.526 -16.337 3.955 1.00 0.00 ATOM 630 O PRO 88 -8.743 -16.959 5.667 1.00 0.00 ATOM 631 C PRO 88 -7.541 -17.039 5.416 1.00 0.00 ATOM 632 N TRP 89 -6.655 -17.660 6.179 1.00 0.00 ATOM 633 CA TRP 89 -7.058 -18.316 7.413 1.00 0.00 ATOM 634 CB TRP 89 -7.597 -19.717 7.123 1.00 0.00 ATOM 635 CG TRP 89 -8.150 -20.410 8.331 1.00 0.00 ATOM 636 CD1 TRP 89 -8.550 -19.825 9.498 1.00 0.00 ATOM 637 CD2 TRP 89 -8.365 -21.818 8.491 1.00 0.00 ATOM 638 CE2 TRP 89 -8.898 -22.014 9.781 1.00 0.00 ATOM 639 CE3 TRP 89 -8.161 -22.931 7.671 1.00 0.00 ATOM 640 NE1 TRP 89 -9.000 -20.781 10.377 1.00 0.00 ATOM 641 CZ2 TRP 89 -9.227 -23.278 10.269 1.00 0.00 ATOM 642 CZ3 TRP 89 -8.490 -24.182 8.158 1.00 0.00 ATOM 643 CH2 TRP 89 -9.016 -24.348 9.444 1.00 0.00 ATOM 644 O TRP 89 -5.954 -18.154 9.538 1.00 0.00 ATOM 645 C TRP 89 -5.849 -18.429 8.343 1.00 0.00 ATOM 646 N THR 90 -4.729 -18.834 7.762 1.00 0.00 ATOM 647 CA THR 90 -3.503 -18.987 8.526 1.00 0.00 ATOM 648 CB THR 90 -3.322 -17.841 9.538 1.00 0.00 ATOM 649 CG2 THR 90 -3.218 -16.505 8.818 1.00 0.00 ATOM 650 OG1 THR 90 -4.445 -17.803 10.427 1.00 0.00 ATOM 651 O THR 90 -2.913 -20.445 10.339 1.00 0.00 ATOM 652 C THR 90 -3.545 -20.310 9.291 1.00 0.00 ATOM 653 N PRO 96 -4.294 -21.252 8.740 1.00 0.00 ATOM 654 CA PRO 96 -4.426 -22.560 9.359 1.00 0.00 ATOM 655 CB PRO 96 -5.419 -22.332 10.500 1.00 0.00 ATOM 656 CG PRO 96 -5.287 -20.882 10.826 1.00 0.00 ATOM 657 CD PRO 96 -5.054 -20.180 9.518 1.00 0.00 ATOM 658 O PRO 96 -4.721 -23.397 7.127 1.00 0.00 ATOM 659 C PRO 96 -4.953 -23.558 8.325 1.00 0.00 TER END