PFRMAT TS TARGET T0276 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 is the result of sidechain replacement on the backbone of METHOD 1g2iA, which was 2nd best with sam-t02 and 9th best with sam-t04. METHOD Sidechain optimization was done with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0276-1g2iA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD REMARK 6 REMARK 6 T0276 model 5 Sat Aug 14 14:51:00 2004 MODEL 5 PARENT 1g2i_A ATOM 2 N HIS 41 7.186 24.305 -1.285 1.00 0.00 ATOM 3 CA HIS 41 8.608 24.623 -1.348 1.00 0.00 ATOM 4 CB HIS 41 9.360 23.943 -0.203 1.00 0.00 ATOM 5 CG HIS 41 9.046 24.509 1.147 1.00 0.00 ATOM 6 CD2 HIS 41 9.635 25.520 2.013 1.00 0.00 ATOM 7 ND1 HIS 41 7.970 24.087 1.899 1.00 0.00 ATOM 8 CE1 HIS 41 7.947 24.774 3.055 1.00 0.00 ATOM 9 NE2 HIS 41 8.943 25.636 3.130 1.00 0.00 ATOM 10 O HIS 41 9.253 22.961 -2.963 1.00 0.00 ATOM 11 C HIS 41 9.230 24.155 -2.658 1.00 0.00 ATOM 12 N ILE 42 9.733 25.114 -3.430 1.00 0.00 ATOM 13 CA ILE 42 10.335 24.831 -4.727 1.00 0.00 ATOM 14 CB ILE 42 9.847 25.817 -5.804 1.00 0.00 ATOM 15 CG1 ILE 42 8.331 25.705 -5.981 1.00 0.00 ATOM 16 CG2 ILE 42 10.511 25.520 -7.140 1.00 0.00 ATOM 17 CD1 ILE 42 7.736 26.792 -6.849 1.00 0.00 ATOM 18 O ILE 42 12.419 25.939 -4.262 1.00 0.00 ATOM 19 C ILE 42 11.856 24.930 -4.690 1.00 0.00 ATOM 20 N LEU 43 12.514 23.871 -5.149 1.00 0.00 ATOM 21 CA LEU 43 13.968 23.819 -5.168 1.00 0.00 ATOM 22 CB LEU 43 14.463 22.446 -4.711 1.00 0.00 ATOM 23 CG LEU 43 15.979 22.259 -4.642 1.00 0.00 ATOM 24 CD1 LEU 43 16.580 23.132 -3.551 1.00 0.00 ATOM 25 CD2 LEU 43 16.330 20.811 -4.339 1.00 0.00 ATOM 26 O LEU 43 13.954 23.615 -7.559 1.00 0.00 ATOM 27 C LEU 43 14.517 24.074 -6.565 1.00 0.00 ATOM 28 N LEU 44 15.613 24.819 -6.632 1.00 0.00 ATOM 29 CA LEU 44 16.275 25.104 -7.902 1.00 0.00 ATOM 30 CB LEU 44 16.409 26.613 -8.109 1.00 0.00 ATOM 31 CG LEU 44 17.142 27.061 -9.374 1.00 0.00 ATOM 32 CD1 LEU 44 16.351 26.684 -10.618 1.00 0.00 ATOM 33 CD2 LEU 44 17.341 28.569 -9.375 1.00 0.00 ATOM 34 O LEU 44 18.388 24.630 -6.877 1.00 0.00 ATOM 35 C LEU 44 17.659 24.460 -7.855 1.00 0.00 ATOM 36 N TYR 45 18.012 23.714 -8.897 1.00 0.00 ATOM 37 CA TYR 45 19.332 23.096 -8.985 1.00 0.00 ATOM 38 CB TYR 45 19.205 21.611 -9.337 1.00 0.00 ATOM 39 CG TYR 45 18.510 20.788 -8.276 1.00 0.00 ATOM 40 CD1 TYR 45 17.137 20.582 -8.324 1.00 0.00 ATOM 41 CD2 TYR 45 19.228 20.221 -7.232 1.00 0.00 ATOM 42 CE1 TYR 45 16.492 19.831 -7.359 1.00 0.00 ATOM 43 CE2 TYR 45 18.600 19.467 -6.257 1.00 0.00 ATOM 44 CZ TYR 45 17.221 19.275 -6.329 1.00 0.00 ATOM 45 OH TYR 45 16.582 18.527 -5.367 1.00 0.00 ATOM 46 O TYR 45 19.668 23.787 -11.254 1.00 0.00 ATOM 47 C TYR 45 20.050 23.864 -10.086 1.00 0.00 ATOM 48 N HIS 46 21.087 24.609 -9.717 1.00 0.00 ATOM 49 CA HIS 46 21.805 25.413 -10.692 1.00 0.00 ATOM 50 CB HIS 46 21.105 26.759 -10.895 1.00 0.00 ATOM 51 CG HIS 46 21.090 27.622 -9.671 1.00 0.00 ATOM 52 CD2 HIS 46 21.866 28.755 -9.188 1.00 0.00 ATOM 53 ND1 HIS 46 20.185 27.443 -8.646 1.00 0.00 ATOM 54 CE1 HIS 46 20.417 28.362 -7.693 1.00 0.00 ATOM 55 NE2 HIS 46 21.424 29.153 -8.012 1.00 0.00 ATOM 56 O HIS 46 23.717 25.106 -9.261 1.00 0.00 ATOM 57 C HIS 46 23.241 25.692 -10.239 1.00 0.00 ATOM 58 N PRO 47 23.933 26.576 -10.953 1.00 0.00 ATOM 59 CA PRO 47 25.316 26.914 -10.623 1.00 0.00 ATOM 60 CB PRO 47 26.100 25.646 -10.966 1.00 0.00 ATOM 61 CG PRO 47 25.293 24.985 -12.032 1.00 0.00 ATOM 62 CD PRO 47 23.855 25.269 -11.702 1.00 0.00 ATOM 63 O PRO 47 24.986 28.688 -12.195 1.00 0.00 ATOM 64 C PRO 47 25.778 28.109 -11.452 1.00 0.00 ATOM 65 N LEU 48 27.053 28.477 -11.320 1.00 0.00 ATOM 66 CA LEU 48 27.610 29.589 -12.088 1.00 0.00 ATOM 67 CB LEU 48 29.126 29.671 -11.890 1.00 0.00 ATOM 68 CG LEU 48 29.605 30.086 -10.497 1.00 0.00 ATOM 69 CD1 LEU 48 31.119 29.976 -10.396 1.00 0.00 ATOM 70 CD2 LEU 48 29.211 31.524 -10.200 1.00 0.00 ATOM 71 O LEU 48 27.272 28.229 -14.035 1.00 0.00 ATOM 72 C LEU 48 27.308 29.368 -13.566 1.00 0.00 ATOM 73 N PRO 49 27.094 30.461 -14.292 1.00 0.00 ATOM 74 CA PRO 49 26.810 30.413 -15.728 1.00 0.00 ATOM 75 CB PRO 49 27.838 29.423 -16.275 1.00 0.00 ATOM 76 CG PRO 49 28.054 28.453 -15.163 1.00 0.00 ATOM 77 CD PRO 49 27.944 29.248 -13.892 1.00 0.00 ATOM 78 O PRO 49 25.162 29.439 -17.183 1.00 0.00 ATOM 79 C PRO 49 25.399 29.948 -16.084 1.00 0.00 ATOM 80 N HIS 50 24.465 30.109 -15.155 1.00 0.00 ATOM 81 CA HIS 50 23.079 29.754 -15.424 1.00 0.00 ATOM 82 CB HIS 50 22.279 29.692 -14.123 1.00 0.00 ATOM 83 CG HIS 50 22.072 31.027 -13.475 1.00 0.00 ATOM 84 CD2 HIS 50 22.691 31.756 -12.378 1.00 0.00 ATOM 85 ND1 HIS 50 21.103 31.913 -13.892 1.00 0.00 ATOM 86 CE1 HIS 50 21.161 33.016 -13.125 1.00 0.00 ATOM 87 NE2 HIS 50 22.111 32.929 -12.214 1.00 0.00 ATOM 88 O HIS 50 23.092 31.959 -16.365 1.00 0.00 ATOM 89 C HIS 50 22.542 30.852 -16.342 1.00 0.00 ATOM 90 N GLU 51 21.510 30.550 -17.127 1.00 0.00 ATOM 91 CA GLU 51 20.925 31.572 -17.992 1.00 0.00 ATOM 92 CB GLU 51 20.030 30.926 -19.053 1.00 0.00 ATOM 93 CG GLU 51 19.603 31.872 -20.164 1.00 0.00 ATOM 94 CD GLU 51 20.778 32.391 -20.970 1.00 0.00 ATOM 95 OE1 GLU 51 21.607 31.567 -21.410 1.00 0.00 ATOM 96 OE2 GLU 51 20.869 33.622 -21.162 1.00 0.00 ATOM 97 O GLU 51 19.109 32.008 -16.488 1.00 0.00 ATOM 98 C GLU 51 20.128 32.440 -17.031 1.00 0.00 ATOM 99 N LEU 52 17.808 34.969 -16.874 1.00 0.00 ATOM 100 CA LEU 52 16.351 35.057 -16.816 1.00 0.00 ATOM 101 CB LEU 52 15.797 35.623 -18.125 1.00 0.00 ATOM 102 CG LEU 52 16.109 37.093 -18.414 1.00 0.00 ATOM 103 CD1 LEU 52 15.648 37.477 -19.811 1.00 0.00 ATOM 104 CD2 LEU 52 15.405 37.999 -17.415 1.00 0.00 ATOM 105 O LEU 52 14.527 33.700 -16.058 1.00 0.00 ATOM 106 C LEU 52 15.635 33.725 -16.593 1.00 0.00 ATOM 107 N ASN 53 16.264 32.617 -16.977 1.00 0.00 ATOM 108 CA ASN 53 15.630 31.318 -16.790 1.00 0.00 ATOM 109 CB ASN 53 16.369 30.241 -17.589 1.00 0.00 ATOM 110 CG ASN 53 16.134 30.360 -19.082 1.00 0.00 ATOM 111 ND2 ASN 53 17.008 29.744 -19.868 1.00 0.00 ATOM 112 OD1 ASN 53 15.175 30.995 -19.521 1.00 0.00 ATOM 113 O ASN 53 14.972 29.938 -14.950 1.00 0.00 ATOM 114 C ASN 53 15.633 30.901 -15.331 1.00 0.00 ATOM 115 N LEU 54 16.389 31.627 -14.513 1.00 0.00 ATOM 116 CA LEU 54 16.421 31.352 -13.087 1.00 0.00 ATOM 117 CB LEU 54 17.859 31.388 -12.568 1.00 0.00 ATOM 118 CG LEU 54 18.046 31.122 -11.073 1.00 0.00 ATOM 119 CD1 LEU 54 17.574 29.721 -10.713 1.00 0.00 ATOM 120 CD2 LEU 54 19.511 31.243 -10.683 1.00 0.00 ATOM 121 O LEU 54 14.712 32.104 -11.579 1.00 0.00 ATOM 122 C LEU 54 15.594 32.418 -12.376 1.00 0.00 ATOM 123 N LEU 55 15.869 33.682 -12.687 1.00 0.00 ATOM 124 CA LEU 55 15.169 34.801 -12.058 1.00 0.00 ATOM 125 CB LEU 55 15.744 36.133 -12.543 1.00 0.00 ATOM 126 CG LEU 55 15.116 37.398 -11.952 1.00 0.00 ATOM 127 CD1 LEU 55 15.302 37.436 -10.444 1.00 0.00 ATOM 128 CD2 LEU 55 15.759 38.643 -12.543 1.00 0.00 ATOM 129 O LEU 55 12.886 35.184 -11.431 1.00 0.00 ATOM 130 C LEU 55 13.664 34.871 -12.332 1.00 0.00 ATOM 131 N PRO 56 13.245 34.578 -13.561 1.00 0.00 ATOM 132 CA PRO 56 11.822 34.636 -13.888 1.00 0.00 ATOM 133 CB PRO 56 11.769 34.268 -15.373 1.00 0.00 ATOM 134 CG PRO 56 13.085 34.712 -15.916 1.00 0.00 ATOM 135 CD PRO 56 14.096 34.435 -14.838 1.00 0.00 ATOM 136 O PRO 56 10.039 34.073 -12.381 1.00 0.00 ATOM 137 C PRO 56 10.981 33.662 -13.059 1.00 0.00 ATOM 138 N LEU 57 11.302 32.356 -13.102 1.00 0.00 ATOM 139 CA LEU 57 10.510 31.403 -12.318 1.00 0.00 ATOM 140 CB LEU 57 10.982 29.971 -12.581 1.00 0.00 ATOM 141 CG LEU 57 10.704 29.411 -13.977 1.00 0.00 ATOM 142 CD1 LEU 57 11.369 28.054 -14.153 1.00 0.00 ATOM 143 CD2 LEU 57 9.210 29.243 -14.201 1.00 0.00 ATOM 144 O LEU 57 9.679 31.383 -10.066 1.00 0.00 ATOM 145 C LEU 57 10.618 31.648 -10.819 1.00 0.00 ATOM 146 N MET 58 11.770 32.153 -10.390 1.00 0.00 ATOM 147 CA MET 58 11.992 32.439 -8.981 1.00 0.00 ATOM 148 CB MET 58 13.373 33.065 -8.773 1.00 0.00 ATOM 149 CG MET 58 13.684 33.418 -7.328 1.00 0.00 ATOM 150 SD MET 58 15.289 34.216 -7.136 1.00 0.00 ATOM 151 CE MET 58 14.952 35.828 -7.838 1.00 0.00 ATOM 152 O MET 58 10.235 33.145 -7.492 1.00 0.00 ATOM 153 C MET 58 10.928 33.412 -8.479 1.00 0.00 ATOM 154 N GLU 59 10.788 34.541 -9.165 1.00 0.00 ATOM 155 CA GLU 59 9.800 35.530 -8.767 1.00 0.00 ATOM 156 CB GLU 59 10.063 36.865 -9.470 1.00 0.00 ATOM 157 CG GLU 59 11.313 37.582 -8.990 1.00 0.00 ATOM 158 CD GLU 59 11.609 38.835 -9.790 1.00 0.00 ATOM 159 OE1 GLU 59 10.878 39.103 -10.767 1.00 0.00 ATOM 160 OE2 GLU 59 12.573 39.549 -9.440 1.00 0.00 ATOM 161 O GLU 59 7.456 35.361 -8.315 1.00 0.00 ATOM 162 C GLU 59 8.371 35.125 -9.104 1.00 0.00 ATOM 163 N ALA 60 8.172 34.510 -10.267 1.00 0.00 ATOM 164 CA ALA 60 6.830 34.103 -10.663 1.00 0.00 ATOM 165 CB ALA 60 6.869 33.371 -11.996 1.00 0.00 ATOM 166 O ALA 60 5.015 33.258 -9.345 1.00 0.00 ATOM 167 C ALA 60 6.211 33.172 -9.629 1.00 0.00 ATOM 168 N TYR 61 7.026 32.286 -9.062 1.00 0.00 ATOM 169 CA TYR 61 6.534 31.352 -8.058 1.00 0.00 ATOM 170 CB TYR 61 7.507 30.183 -7.891 1.00 0.00 ATOM 171 CG TYR 61 7.586 29.274 -9.096 1.00 0.00 ATOM 172 CD1 TYR 61 6.585 29.284 -10.060 1.00 0.00 ATOM 173 CD2 TYR 61 8.660 28.410 -9.267 1.00 0.00 ATOM 174 CE1 TYR 61 6.648 28.456 -11.165 1.00 0.00 ATOM 175 CE2 TYR 61 8.740 27.576 -10.367 1.00 0.00 ATOM 176 CZ TYR 61 7.722 27.605 -11.318 1.00 0.00 ATOM 177 OH TYR 61 7.788 26.781 -12.419 1.00 0.00 ATOM 178 O TYR 61 5.454 31.699 -5.944 1.00 0.00 ATOM 179 C TYR 61 6.373 32.029 -6.699 1.00 0.00 ATOM 180 N PRO 62 3.151 32.670 -3.561 1.00 0.00 ATOM 181 CA PRO 62 3.278 32.373 -2.146 1.00 0.00 ATOM 182 CB PRO 62 1.841 32.106 -1.694 1.00 0.00 ATOM 183 CG PRO 62 1.142 31.639 -2.925 1.00 0.00 ATOM 184 CD PRO 62 1.744 32.413 -4.065 1.00 0.00 ATOM 185 O PRO 62 4.310 30.742 -0.729 1.00 0.00 ATOM 186 C PRO 62 4.159 31.168 -1.873 1.00 0.00 ATOM 187 N ALA 63 4.739 30.612 -2.930 1.00 0.00 ATOM 188 CA ALA 63 5.619 29.458 -2.789 1.00 0.00 ATOM 189 CB ALA 63 5.810 28.771 -4.133 1.00 0.00 ATOM 190 O ALA 63 7.446 30.991 -2.583 1.00 0.00 ATOM 191 C ALA 63 6.976 29.898 -2.268 1.00 0.00 ATOM 192 N ARG 64 7.602 29.052 -1.458 1.00 0.00 ATOM 193 CA ARG 64 8.923 29.354 -0.938 1.00 0.00 ATOM 194 CB ARG 64 9.129 28.685 0.423 1.00 0.00 ATOM 195 CG ARG 64 8.210 29.205 1.517 1.00 0.00 ATOM 196 CD ARG 64 8.408 28.441 2.814 1.00 0.00 ATOM 197 NE ARG 64 7.507 28.906 3.866 1.00 0.00 ATOM 198 CZ ARG 64 7.386 28.326 5.056 1.00 0.00 ATOM 199 NH1 ARG 64 6.540 28.819 5.951 1.00 0.00 ATOM 200 NH2 ARG 64 8.113 27.257 5.350 1.00 0.00 ATOM 201 O ARG 64 9.775 27.669 -2.416 1.00 0.00 ATOM 202 C ARG 64 9.907 28.807 -1.967 1.00 0.00 ATOM 203 N TYR 65 10.878 29.626 -2.350 1.00 0.00 ATOM 204 CA TYR 65 11.867 29.225 -3.343 1.00 0.00 ATOM 205 CB TYR 65 11.934 30.250 -4.477 1.00 0.00 ATOM 206 CG TYR 65 12.999 29.954 -5.508 1.00 0.00 ATOM 207 CD1 TYR 65 12.779 29.016 -6.510 1.00 0.00 ATOM 208 CD2 TYR 65 14.222 30.612 -5.476 1.00 0.00 ATOM 209 CE1 TYR 65 13.747 28.739 -7.456 1.00 0.00 ATOM 210 CE2 TYR 65 15.201 30.347 -6.414 1.00 0.00 ATOM 211 CZ TYR 65 14.954 29.402 -7.409 1.00 0.00 ATOM 212 OH TYR 65 15.920 29.128 -8.350 1.00 0.00 ATOM 213 O TYR 65 13.661 29.949 -1.932 1.00 0.00 ATOM 214 C TYR 65 13.257 29.108 -2.736 1.00 0.00 ATOM 215 N TYR 66 13.982 28.061 -3.118 1.00 0.00 ATOM 216 CA TYR 66 15.329 27.824 -2.603 1.00 0.00 ATOM 217 CB TYR 66 15.341 26.607 -1.677 1.00 0.00 ATOM 218 CG TYR 66 14.496 26.774 -0.434 1.00 0.00 ATOM 219 CD1 TYR 66 13.157 26.407 -0.431 1.00 0.00 ATOM 220 CD2 TYR 66 15.042 27.298 0.732 1.00 0.00 ATOM 221 CE1 TYR 66 12.377 26.556 0.701 1.00 0.00 ATOM 222 CE2 TYR 66 14.277 27.453 1.872 1.00 0.00 ATOM 223 CZ TYR 66 12.934 27.078 1.848 1.00 0.00 ATOM 224 OH TYR 66 12.160 27.228 2.976 1.00 0.00 ATOM 225 O TYR 66 16.057 26.808 -4.648 1.00 0.00 ATOM 226 C TYR 66 16.332 27.564 -3.718 1.00 0.00 ATOM 227 N LEU 67 17.507 28.176 -3.608 1.00 0.00 ATOM 228 CA LEU 67 18.549 27.996 -4.612 1.00 0.00 ATOM 229 CB LEU 67 19.185 29.341 -4.972 1.00 0.00 ATOM 230 CG LEU 67 18.248 30.397 -5.560 1.00 0.00 ATOM 231 CD1 LEU 67 18.995 31.699 -5.810 1.00 0.00 ATOM 232 CD2 LEU 67 17.666 29.923 -6.882 1.00 0.00 ATOM 233 O LEU 67 20.290 27.382 -3.082 1.00 0.00 ATOM 234 C LEU 67 19.637 27.071 -4.079 1.00 0.00 ATOM 235 N PRO 68 19.823 25.933 -4.740 1.00 0.00 ATOM 236 CA PRO 68 20.848 24.975 -4.339 1.00 0.00 ATOM 237 CB PRO 68 20.098 23.645 -4.250 1.00 0.00 ATOM 238 CG PRO 68 19.007 23.763 -5.262 1.00 0.00 ATOM 239 CD PRO 68 18.629 25.216 -5.299 1.00 0.00 ATOM 240 O PRO 68 21.666 25.010 -6.590 1.00 0.00 ATOM 241 C PRO 68 21.945 24.949 -5.393 1.00 0.00 ATOM 242 N LYS 69 23.193 24.866 -4.943 1.00 0.00 ATOM 243 CA LYS 69 24.329 24.823 -5.854 1.00 0.00 ATOM 244 CB LYS 69 24.783 26.240 -6.212 1.00 0.00 ATOM 245 CG LYS 69 25.925 26.292 -7.212 1.00 0.00 ATOM 246 CD LYS 69 26.278 27.726 -7.574 1.00 0.00 ATOM 247 CE LYS 69 27.429 27.778 -8.566 1.00 0.00 ATOM 248 NZ LYS 69 27.782 29.177 -8.933 1.00 0.00 ATOM 249 O LYS 69 25.323 23.538 -4.090 1.00 0.00 ATOM 250 C LYS 69 25.485 24.083 -5.181 1.00 0.00 ATOM 251 N VAL 70 26.646 24.071 -5.826 1.00 0.00 ATOM 252 CA VAL 70 27.812 23.380 -5.281 1.00 0.00 ATOM 253 CB VAL 70 29.033 23.519 -6.209 1.00 0.00 ATOM 254 CG1 VAL 70 30.279 22.967 -5.533 1.00 0.00 ATOM 255 CG2 VAL 70 28.809 22.752 -7.503 1.00 0.00 ATOM 256 O VAL 70 28.535 23.096 -3.015 1.00 0.00 ATOM 257 C VAL 70 28.267 23.889 -3.917 1.00 0.00 ATOM 258 N ALA 71 28.364 25.205 -3.768 1.00 0.00 ATOM 259 CA ALA 71 28.823 25.784 -2.510 1.00 0.00 ATOM 260 CB ALA 71 30.259 26.266 -2.642 1.00 0.00 ATOM 261 O ALA 71 27.213 27.540 -2.825 1.00 0.00 ATOM 262 C ALA 71 27.994 26.977 -2.058 1.00 0.00 ATOM 263 N GLY 72 28.176 27.355 -0.797 1.00 0.00 ATOM 264 CA GLY 72 27.469 28.496 -0.236 1.00 0.00 ATOM 265 O GLY 72 28.976 29.735 -1.631 1.00 0.00 ATOM 266 C GLY 72 28.011 29.770 -0.868 1.00 0.00 ATOM 267 N LYS 73 27.392 30.898 -0.541 1.00 0.00 ATOM 268 CA LYS 73 27.831 32.159 -1.102 1.00 0.00 ATOM 269 CB LYS 73 29.256 32.037 -1.645 1.00 0.00 ATOM 270 CG LYS 73 30.311 31.816 -0.572 1.00 0.00 ATOM 271 CD LYS 73 31.702 31.720 -1.179 1.00 0.00 ATOM 272 CE LYS 73 32.756 31.485 -0.109 1.00 0.00 ATOM 273 NZ LYS 73 34.122 31.378 -0.691 1.00 0.00 ATOM 274 O LYS 73 25.692 32.544 -2.089 1.00 0.00 ATOM 275 C LYS 73 26.915 32.568 -2.235 1.00 0.00 ATOM 276 N GLY 74 27.496 32.931 -3.371 1.00 0.00 ATOM 277 CA GLY 74 26.696 33.348 -4.515 1.00 0.00 ATOM 278 O GLY 74 28.304 32.200 -5.878 1.00 0.00 ATOM 279 C GLY 74 27.189 32.719 -5.807 1.00 0.00 ATOM 283 N PRO 85 26.938 33.367 -10.270 1.00 0.00 ATOM 284 CA PRO 85 26.715 34.432 -11.239 1.00 0.00 ATOM 285 CB PRO 85 28.076 35.122 -11.351 1.00 0.00 ATOM 286 CG PRO 85 28.748 34.837 -10.050 1.00 0.00 ATOM 287 CD PRO 85 28.342 33.441 -9.669 1.00 0.00 ATOM 288 O PRO 85 26.857 32.962 -13.119 1.00 0.00 ATOM 289 C PRO 85 26.264 33.900 -12.588 1.00 0.00 ATOM 290 N GLY 86 25.222 34.513 -13.143 1.00 0.00 ATOM 291 CA GLY 86 24.702 34.083 -14.430 1.00 0.00 ATOM 292 O GLY 86 26.568 35.214 -15.390 1.00 0.00 ATOM 293 C GLY 86 25.620 34.455 -15.574 1.00 0.00 ATOM 294 N PRO 87 25.344 33.929 -16.762 1.00 0.00 ATOM 295 CA PRO 87 26.185 34.235 -17.903 1.00 0.00 ATOM 296 CB PRO 87 25.605 33.374 -19.029 1.00 0.00 ATOM 297 CG PRO 87 24.191 33.129 -18.623 1.00 0.00 ATOM 298 CD PRO 87 24.201 33.018 -17.123 1.00 0.00 ATOM 299 O PRO 87 27.051 36.264 -18.840 1.00 0.00 ATOM 300 C PRO 87 26.121 35.721 -18.246 1.00 0.00 ATOM 301 N PHE 88 25.029 36.376 -17.862 1.00 0.00 ATOM 302 CA PHE 88 24.860 37.803 -18.134 1.00 0.00 ATOM 303 CB PHE 88 23.392 38.123 -18.420 1.00 0.00 ATOM 304 CG PHE 88 22.854 37.453 -19.652 1.00 0.00 ATOM 305 CD1 PHE 88 22.048 36.332 -19.553 1.00 0.00 ATOM 306 CD2 PHE 88 23.154 37.943 -20.912 1.00 0.00 ATOM 307 CE1 PHE 88 21.554 35.715 -20.686 1.00 0.00 ATOM 308 CE2 PHE 88 22.659 37.327 -22.045 1.00 0.00 ATOM 309 CZ PHE 88 21.863 36.217 -21.936 1.00 0.00 ATOM 310 O PHE 88 25.131 39.932 -17.062 1.00 0.00 ATOM 311 C PHE 88 25.288 38.712 -16.985 1.00 0.00 ATOM 312 N GLY 89 25.811 38.126 -15.914 1.00 0.00 ATOM 313 CA GLY 89 26.278 38.945 -14.808 1.00 0.00 ATOM 314 O GLY 89 25.835 39.701 -12.601 1.00 0.00 ATOM 315 C GLY 89 25.403 39.093 -13.580 1.00 0.00 ATOM 316 N LEU 90 24.178 38.578 -13.606 1.00 0.00 ATOM 317 CA LEU 90 23.334 38.690 -12.424 1.00 0.00 ATOM 318 CB LEU 90 21.892 38.301 -12.757 1.00 0.00 ATOM 319 CG LEU 90 21.155 39.211 -13.741 1.00 0.00 ATOM 320 CD1 LEU 90 19.781 38.647 -14.069 1.00 0.00 ATOM 321 CD2 LEU 90 20.970 40.602 -13.154 1.00 0.00 ATOM 322 O LEU 90 24.221 36.620 -11.610 1.00 0.00 ATOM 323 C LEU 90 23.861 37.763 -11.341 1.00 0.00 ATOM 324 N LEU 91 23.904 38.267 -10.115 1.00 0.00 ATOM 325 CA LEU 91 24.385 37.487 -8.986 1.00 0.00 ATOM 326 CB LEU 91 25.400 38.292 -8.172 1.00 0.00 ATOM 327 CG LEU 91 25.948 37.616 -6.913 1.00 0.00 ATOM 328 CD1 LEU 91 26.790 36.403 -7.280 1.00 0.00 ATOM 329 CD2 LEU 91 26.820 38.579 -6.123 1.00 0.00 ATOM 330 O LEU 91 22.386 37.931 -7.740 1.00 0.00 ATOM 331 C LEU 91 23.233 37.101 -8.069 1.00 0.00 ATOM 332 N GLU 92 23.196 35.835 -7.664 1.00 0.00 ATOM 333 CA GLU 92 22.146 35.363 -6.772 1.00 0.00 ATOM 334 CB GLU 92 21.168 34.459 -7.526 1.00 0.00 ATOM 335 CG GLU 92 20.400 35.161 -8.633 1.00 0.00 ATOM 336 CD GLU 92 19.434 34.238 -9.349 1.00 0.00 ATOM 337 OE1 GLU 92 19.402 33.036 -9.012 1.00 0.00 ATOM 338 OE2 GLU 92 18.708 34.717 -10.245 1.00 0.00 ATOM 339 O GLU 92 23.839 33.964 -5.818 1.00 0.00 ATOM 340 C GLU 92 22.788 34.578 -5.639 1.00 0.00 ATOM 341 N PRO 93 22.160 34.604 -4.470 1.00 0.00 ATOM 342 CA PRO 93 22.701 33.893 -3.324 1.00 0.00 ATOM 343 CB PRO 93 22.166 34.670 -2.119 1.00 0.00 ATOM 344 CG PRO 93 20.835 35.177 -2.564 1.00 0.00 ATOM 345 CD PRO 93 20.976 35.492 -4.027 1.00 0.00 ATOM 346 O PRO 93 21.113 32.115 -3.626 1.00 0.00 ATOM 347 C PRO 93 22.247 32.440 -3.279 1.00 0.00 ATOM 348 N THR 94 23.156 31.567 -2.861 1.00 0.00 ATOM 349 CA THR 94 22.867 30.147 -2.741 1.00 0.00 ATOM 350 CB THR 94 24.141 29.296 -2.899 1.00 0.00 ATOM 351 CG2 THR 94 23.816 27.818 -2.743 1.00 0.00 ATOM 352 OG1 THR 94 24.706 29.512 -4.197 1.00 0.00 ATOM 353 O THR 94 22.817 30.411 -0.364 1.00 0.00 ATOM 354 C THR 94 22.270 29.930 -1.356 1.00 0.00 ATOM 355 N THR 95 21.147 29.223 -1.286 1.00 0.00 ATOM 356 CA THR 95 20.503 28.967 -0.005 1.00 0.00 ATOM 357 CB THR 95 18.992 28.718 -0.172 1.00 0.00 ATOM 358 CG2 THR 95 18.341 28.469 1.179 1.00 0.00 ATOM 359 OG1 THR 95 18.381 29.863 -0.780 1.00 0.00 ATOM 360 O THR 95 21.216 27.705 1.907 1.00 0.00 ATOM 361 C THR 95 21.091 27.741 0.682 1.00 0.00 ATOM 362 N PRO 96 21.451 26.734 -0.105 1.00 0.00 ATOM 363 CA PRO 96 22.049 25.527 0.450 1.00 0.00 ATOM 364 CB PRO 96 20.852 24.729 0.972 1.00 0.00 ATOM 365 CG PRO 96 19.707 25.170 0.121 1.00 0.00 ATOM 366 CD PRO 96 19.947 26.624 -0.175 1.00 0.00 ATOM 367 O PRO 96 22.564 24.954 -1.823 1.00 0.00 ATOM 368 C PRO 96 22.805 24.766 -0.629 1.00 0.00 ATOM 369 N PRO 97 23.648 19.255 1.272 1.00 0.00 ATOM 370 CA PRO 97 22.743 19.495 2.393 1.00 0.00 ATOM 371 CB PRO 97 23.054 20.932 2.818 1.00 0.00 ATOM 372 CG PRO 97 23.579 21.581 1.581 1.00 0.00 ATOM 373 CD PRO 97 24.358 20.524 0.852 1.00 0.00 ATOM 374 O PRO 97 20.399 19.469 2.894 1.00 0.00 ATOM 375 C PRO 97 21.268 19.358 2.031 1.00 0.00 ATOM 376 N GLU 98 20.984 19.103 0.759 1.00 0.00 ATOM 377 CA GLU 98 19.603 18.967 0.310 1.00 0.00 ATOM 378 CB GLU 98 19.506 19.187 -1.201 1.00 0.00 ATOM 379 CG GLU 98 19.759 20.622 -1.636 1.00 0.00 ATOM 380 CD GLU 98 18.766 21.596 -1.034 1.00 0.00 ATOM 381 OE1 GLU 98 17.548 21.343 -1.136 1.00 0.00 ATOM 382 OE2 GLU 98 19.207 22.615 -0.460 1.00 0.00 ATOM 383 O GLU 98 19.597 16.565 0.326 1.00 0.00 ATOM 384 C GLU 98 18.986 17.600 0.586 1.00 0.00 ATOM 385 N ASP 99 17.772 17.613 1.128 1.00 0.00 ATOM 386 CA ASP 99 17.034 16.383 1.384 1.00 0.00 ATOM 387 CB ASP 99 16.611 16.308 2.852 1.00 0.00 ATOM 388 CG ASP 99 15.868 15.027 3.179 1.00 0.00 ATOM 389 OD1 ASP 99 15.629 14.226 2.252 1.00 0.00 ATOM 390 OD2 ASP 99 15.525 14.825 4.364 1.00 0.00 ATOM 391 O ASP 99 14.935 17.295 0.682 1.00 0.00 ATOM 392 C ASP 99 15.836 16.494 0.448 1.00 0.00 ATOM 393 N PRO 100 15.820 15.697 -0.628 1.00 0.00 ATOM 394 CA PRO 100 14.738 15.699 -1.619 1.00 0.00 ATOM 395 CB PRO 100 14.995 14.444 -2.453 1.00 0.00 ATOM 396 CG PRO 100 16.470 14.233 -2.366 1.00 0.00 ATOM 397 CD PRO 100 16.861 14.596 -0.961 1.00 0.00 ATOM 398 O PRO 100 12.397 16.236 -1.538 1.00 0.00 ATOM 399 C PRO 100 13.342 15.649 -1.006 1.00 0.00 ATOM 400 N ARG 101 13.224 14.950 0.117 1.00 0.00 ATOM 401 CA ARG 101 11.945 14.798 0.795 1.00 0.00 ATOM 402 CB ARG 101 12.054 13.768 1.921 1.00 0.00 ATOM 403 CG ARG 101 12.222 12.337 1.438 1.00 0.00 ATOM 404 CD ARG 101 12.373 11.374 2.606 1.00 0.00 ATOM 405 NE ARG 101 12.597 10.001 2.158 1.00 0.00 ATOM 406 CZ ARG 101 12.973 9.008 2.956 1.00 0.00 ATOM 407 NH1 ARG 101 13.152 7.791 2.460 1.00 0.00 ATOM 408 NH2 ARG 101 13.168 9.233 4.247 1.00 0.00 ATOM 409 O ARG 101 10.244 16.194 1.742 1.00 0.00 ATOM 410 C ARG 101 11.429 16.085 1.427 1.00 0.00 ATOM 411 N VAL 102 12.309 17.063 1.608 1.00 0.00 ATOM 412 CA VAL 102 11.902 18.327 2.210 1.00 0.00 ATOM 413 CB VAL 102 13.071 19.002 2.950 1.00 0.00 ATOM 414 CG1 VAL 102 13.595 18.098 4.053 1.00 0.00 ATOM 415 CG2 VAL 102 14.210 19.298 1.988 1.00 0.00 ATOM 416 O VAL 102 10.994 20.444 1.563 1.00 0.00 ATOM 417 C VAL 102 11.391 19.343 1.191 1.00 0.00 ATOM 418 N LEU 103 11.397 18.976 -0.087 1.00 0.00 ATOM 419 CA LEU 103 10.923 19.883 -1.124 1.00 0.00 ATOM 420 CB LEU 103 12.053 20.223 -2.098 1.00 0.00 ATOM 421 CG LEU 103 13.289 20.896 -1.495 1.00 0.00 ATOM 422 CD1 LEU 103 14.376 21.064 -2.546 1.00 0.00 ATOM 423 CD2 LEU 103 12.938 22.273 -0.951 1.00 0.00 ATOM 424 O LEU 103 9.692 18.056 -2.065 1.00 0.00 ATOM 425 C LEU 103 9.783 19.276 -1.929 1.00 0.00 ATOM 426 N ASP 104 8.917 20.132 -2.464 1.00 0.00 ATOM 427 CA ASP 104 7.750 19.675 -3.209 1.00 0.00 ATOM 428 CB ASP 104 6.501 20.445 -2.775 1.00 0.00 ATOM 429 CG ASP 104 6.185 20.259 -1.303 1.00 0.00 ATOM 430 OD1 ASP 104 6.078 19.096 -0.862 1.00 0.00 ATOM 431 OD2 ASP 104 6.042 21.277 -0.592 1.00 0.00 ATOM 432 O ASP 104 7.071 19.149 -5.446 1.00 0.00 ATOM 433 C ASP 104 7.806 19.828 -4.723 1.00 0.00 ATOM 434 N LEU 105 8.662 20.720 -5.210 1.00 0.00 ATOM 435 CA LEU 105 8.772 20.938 -6.646 1.00 0.00 ATOM 436 CB LEU 105 7.878 22.100 -7.083 1.00 0.00 ATOM 437 CG LEU 105 6.370 21.884 -6.947 1.00 0.00 ATOM 438 CD1 LEU 105 5.620 23.192 -7.146 1.00 0.00 ATOM 439 CD2 LEU 105 5.874 20.890 -7.987 1.00 0.00 ATOM 440 O LEU 105 10.997 21.702 -6.185 1.00 0.00 ATOM 441 C LEU 105 10.209 21.265 -7.027 1.00 0.00 ATOM 442 N VAL 106 10.543 21.059 -8.296 1.00 0.00 ATOM 443 CA VAL 106 11.900 21.294 -8.772 1.00 0.00 ATOM 444 CB VAL 106 12.629 19.971 -9.073 1.00 0.00 ATOM 445 CG1 VAL 106 14.024 20.244 -9.615 1.00 0.00 ATOM 446 CG2 VAL 106 12.760 19.136 -7.808 1.00 0.00 ATOM 447 O VAL 106 11.130 21.909 -10.962 1.00 0.00 ATOM 448 C VAL 106 11.936 22.116 -10.054 1.00 0.00 ATOM 449 N VAL 107 12.876 23.054 -10.123 1.00 0.00 ATOM 450 CA VAL 107 13.029 23.885 -11.309 1.00 0.00 ATOM 451 CB VAL 107 12.719 25.362 -11.007 1.00 0.00 ATOM 452 CG1 VAL 107 12.917 26.214 -12.251 1.00 0.00 ATOM 453 CG2 VAL 107 11.279 25.520 -10.542 1.00 0.00 ATOM 454 O VAL 107 15.406 23.901 -11.028 1.00 0.00 ATOM 455 C VAL 107 14.464 23.778 -11.806 1.00 0.00 ATOM 456 N VAL 108 14.617 23.547 -13.104 1.00 0.00 ATOM 457 CA VAL 108 15.931 23.404 -13.713 1.00 0.00 ATOM 458 CB VAL 108 16.096 22.027 -14.384 1.00 0.00 ATOM 459 CG1 VAL 108 17.490 21.885 -14.973 1.00 0.00 ATOM 460 CG2 VAL 108 15.883 20.912 -13.371 1.00 0.00 ATOM 461 O VAL 108 15.840 24.264 -15.954 1.00 0.00 ATOM 462 C VAL 108 16.202 24.451 -14.790 1.00 0.00 ATOM 463 N PRO 109 16.838 25.573 -14.410 1.00 0.00 ATOM 464 CA PRO 109 17.161 26.648 -15.356 1.00 0.00 ATOM 465 CB PRO 109 17.732 27.760 -14.472 1.00 0.00 ATOM 466 CG PRO 109 18.328 27.042 -13.309 1.00 0.00 ATOM 467 CD PRO 109 17.436 25.861 -13.043 1.00 0.00 ATOM 468 O PRO 109 18.811 25.113 -16.173 1.00 0.00 ATOM 469 C PRO 109 18.180 26.151 -16.376 1.00 0.00 ATOM 470 N GLY 110 18.351 26.903 -17.459 1.00 0.00 ATOM 471 CA GLY 110 19.306 26.517 -18.481 1.00 0.00 ATOM 472 O GLY 110 21.087 27.509 -17.204 1.00 0.00 ATOM 473 C GLY 110 20.665 27.186 -18.319 1.00 0.00 ATOM 477 N GLY 125 21.341 27.404 -19.444 1.00 0.00 ATOM 478 CA GLY 125 22.658 28.015 -19.423 1.00 0.00 ATOM 479 O GLY 125 23.461 25.850 -20.036 1.00 0.00 ATOM 480 C GLY 125 23.727 26.940 -19.532 1.00 0.00 ATOM 481 N PHE 126 24.934 27.242 -19.064 1.00 0.00 ATOM 482 CA PHE 126 26.036 26.285 -19.101 1.00 0.00 ATOM 483 CB PHE 126 27.371 27.011 -19.272 1.00 0.00 ATOM 484 CG PHE 126 27.535 27.671 -20.611 1.00 0.00 ATOM 485 CD1 PHE 126 27.272 29.021 -20.770 1.00 0.00 ATOM 486 CD2 PHE 126 27.951 26.943 -21.712 1.00 0.00 ATOM 487 CE1 PHE 126 27.422 29.629 -22.003 1.00 0.00 ATOM 488 CE2 PHE 126 28.101 27.551 -22.945 1.00 0.00 ATOM 489 CZ PHE 126 27.838 28.887 -23.092 1.00 0.00 ATOM 490 O PHE 126 26.756 24.441 -17.739 1.00 0.00 ATOM 491 C PHE 126 26.093 25.475 -17.807 1.00 0.00 ATOM 492 N TYR 127 25.395 25.953 -16.781 1.00 0.00 ATOM 493 CA TYR 127 25.384 25.289 -15.483 1.00 0.00 ATOM 494 CB TYR 127 24.393 25.974 -14.539 1.00 0.00 ATOM 495 CG TYR 127 24.271 25.306 -13.189 1.00 0.00 ATOM 496 CD1 TYR 127 25.223 25.518 -12.201 1.00 0.00 ATOM 497 CD2 TYR 127 23.204 24.464 -12.906 1.00 0.00 ATOM 498 CE1 TYR 127 25.120 24.911 -10.964 1.00 0.00 ATOM 499 CE2 TYR 127 23.081 23.848 -11.675 1.00 0.00 ATOM 500 CZ TYR 127 24.054 24.080 -10.701 1.00 0.00 ATOM 501 OH TYR 127 23.948 23.474 -9.471 1.00 0.00 ATOM 502 O TYR 127 25.598 22.995 -14.802 1.00 0.00 ATOM 503 C TYR 127 24.986 23.807 -15.498 1.00 0.00 ATOM 504 N ASP 128 23.959 23.431 -16.281 1.00 0.00 ATOM 505 CA ASP 128 23.546 22.020 -16.316 1.00 0.00 ATOM 506 CB ASP 128 22.462 21.804 -17.374 1.00 0.00 ATOM 507 CG ASP 128 21.904 20.395 -17.358 1.00 0.00 ATOM 508 OD1 ASP 128 21.341 19.991 -16.319 1.00 0.00 ATOM 509 OD2 ASP 128 22.030 19.694 -18.383 1.00 0.00 ATOM 510 O ASP 128 24.710 19.928 -16.093 1.00 0.00 ATOM 511 C ASP 128 24.667 21.027 -16.649 1.00 0.00 ATOM 512 N ARG 129 25.571 21.406 -17.547 1.00 0.00 ATOM 513 CA ARG 129 26.663 20.511 -17.911 1.00 0.00 ATOM 514 CB ARG 129 27.486 21.106 -19.056 1.00 0.00 ATOM 515 CG ARG 129 26.762 21.130 -20.392 1.00 0.00 ATOM 516 CD ARG 129 27.615 21.776 -21.470 1.00 0.00 ATOM 517 NE ARG 129 26.911 21.862 -22.748 1.00 0.00 ATOM 518 CZ ARG 129 27.337 22.569 -23.790 1.00 0.00 ATOM 519 NH1 ARG 129 26.630 22.587 -24.912 1.00 0.00 ATOM 520 NH2 ARG 129 28.469 23.254 -23.708 1.00 0.00 ATOM 521 O ARG 129 28.350 19.248 -16.771 1.00 0.00 ATOM 522 C ARG 129 27.628 20.244 -16.761 1.00 0.00 ATOM 523 N PHE 130 27.641 21.127 -15.767 1.00 0.00 ATOM 524 CA PHE 130 28.502 20.918 -14.614 1.00 0.00 ATOM 525 CB PHE 130 29.028 22.255 -14.091 1.00 0.00 ATOM 526 CG PHE 130 29.977 22.942 -15.029 1.00 0.00 ATOM 527 CD1 PHE 130 29.553 24.002 -15.812 1.00 0.00 ATOM 528 CD2 PHE 130 31.294 22.530 -15.129 1.00 0.00 ATOM 529 CE1 PHE 130 30.427 24.635 -16.676 1.00 0.00 ATOM 530 CE2 PHE 130 32.168 23.163 -15.994 1.00 0.00 ATOM 531 CZ PHE 130 31.739 24.210 -16.766 1.00 0.00 ATOM 532 O PHE 130 28.179 19.332 -12.844 1.00 0.00 ATOM 533 C PHE 130 27.689 20.230 -13.525 1.00 0.00 ATOM 534 N LEU 131 26.435 20.644 -13.375 1.00 0.00 ATOM 535 CA LEU 131 25.549 20.056 -12.377 1.00 0.00 ATOM 536 CB LEU 131 24.201 20.779 -12.365 1.00 0.00 ATOM 537 CG LEU 131 23.171 20.278 -11.349 1.00 0.00 ATOM 538 CD1 LEU 131 23.694 20.438 -9.931 1.00 0.00 ATOM 539 CD2 LEU 131 21.872 21.062 -11.469 1.00 0.00 ATOM 540 O LEU 131 25.204 17.764 -11.722 1.00 0.00 ATOM 541 C LEU 131 25.276 18.571 -12.650 1.00 0.00 ATOM 542 N LYS 132 25.139 18.215 -13.924 1.00 0.00 ATOM 543 CA LYS 132 24.845 16.834 -14.305 1.00 0.00 ATOM 544 CB LYS 132 24.577 16.739 -15.808 1.00 0.00 ATOM 545 CG LYS 132 25.804 16.976 -16.674 1.00 0.00 ATOM 546 CD LYS 132 25.457 16.908 -18.153 1.00 0.00 ATOM 547 CE LYS 132 26.689 17.120 -19.018 1.00 0.00 ATOM 548 NZ LYS 132 26.384 16.962 -20.466 1.00 0.00 ATOM 549 O LYS 132 25.808 14.638 -14.125 1.00 0.00 ATOM 550 C LYS 132 25.982 15.854 -13.998 1.00 0.00 ATOM 551 N GLU 133 27.142 16.377 -13.604 1.00 0.00 ATOM 552 CA GLU 133 28.282 15.529 -13.264 1.00 0.00 ATOM 553 CB GLU 133 29.586 16.160 -13.758 1.00 0.00 ATOM 554 CG GLU 133 29.689 16.268 -15.270 1.00 0.00 ATOM 555 CD GLU 133 30.992 16.897 -15.723 1.00 0.00 ATOM 556 OE1 GLU 133 31.821 17.237 -14.852 1.00 0.00 ATOM 557 OE2 GLU 133 31.184 17.049 -16.947 1.00 0.00 ATOM 558 O GLU 133 29.232 14.608 -11.258 1.00 0.00 ATOM 559 C GLU 133 28.376 15.345 -11.752 1.00 0.00 ATOM 560 N VAL 134 27.498 16.023 -11.019 1.00 0.00 ATOM 561 CA VAL 134 27.489 15.915 -9.569 1.00 0.00 ATOM 562 CB VAL 134 27.092 17.247 -8.906 1.00 0.00 ATOM 563 CG1 VAL 134 27.075 17.105 -7.392 1.00 0.00 ATOM 564 CG2 VAL 134 28.081 18.342 -9.275 1.00 0.00 ATOM 565 O VAL 134 25.276 14.992 -9.359 1.00 0.00 ATOM 566 C VAL 134 26.482 14.843 -9.156 1.00 0.00 ATOM 567 N ARG 135 7.213 11.751 -8.821 1.00 0.00 ATOM 568 CA ARG 135 6.072 12.393 -9.451 1.00 0.00 ATOM 569 CB ARG 135 4.777 11.671 -9.074 1.00 0.00 ATOM 570 CG ARG 135 4.675 10.254 -9.617 1.00 0.00 ATOM 571 CD ARG 135 3.393 9.579 -9.159 1.00 0.00 ATOM 572 NE ARG 135 3.296 8.203 -9.642 1.00 0.00 ATOM 573 CZ ARG 135 2.297 7.378 -9.352 1.00 0.00 ATOM 574 NH1 ARG 135 2.294 6.143 -9.836 1.00 0.00 ATOM 575 NH2 ARG 135 1.300 7.789 -8.579 1.00 0.00 ATOM 576 O ARG 135 4.858 14.448 -9.399 1.00 0.00 ATOM 577 C ARG 135 5.878 13.848 -9.065 1.00 0.00 ATOM 578 N ALA 136 6.846 14.421 -8.360 1.00 0.00 ATOM 579 CA ALA 136 6.740 15.822 -7.965 1.00 0.00 ATOM 580 CB ALA 136 7.831 16.175 -6.965 1.00 0.00 ATOM 581 O ALA 136 7.524 16.355 -10.172 1.00 0.00 ATOM 582 C ALA 136 6.885 16.724 -9.185 1.00 0.00 ATOM 583 N ALA 137 6.276 17.918 -9.140 1.00 0.00 ATOM 584 CA ALA 137 6.358 18.858 -10.262 1.00 0.00 ATOM 585 CB ALA 137 5.630 20.151 -9.925 1.00 0.00 ATOM 586 O ALA 137 8.592 19.551 -9.712 1.00 0.00 ATOM 587 C ALA 137 7.810 19.209 -10.596 1.00 0.00 ATOM 588 N THR 138 8.161 19.117 -11.874 1.00 0.00 ATOM 589 CA THR 138 9.510 19.437 -12.321 1.00 0.00 ATOM 590 CB THR 138 10.308 18.164 -12.661 1.00 0.00 ATOM 591 CG2 THR 138 11.720 18.521 -13.100 1.00 0.00 ATOM 592 OG1 THR 138 10.381 17.319 -11.506 1.00 0.00 ATOM 593 O THR 138 8.839 19.921 -14.571 1.00 0.00 ATOM 594 C THR 138 9.437 20.309 -13.569 1.00 0.00 ATOM 595 N VAL 139 10.044 21.492 -13.499 1.00 0.00 ATOM 596 CA VAL 139 10.048 22.414 -14.627 1.00 0.00 ATOM 597 CB VAL 139 9.575 23.818 -14.209 1.00 0.00 ATOM 598 CG1 VAL 139 9.634 24.774 -15.392 1.00 0.00 ATOM 599 CG2 VAL 139 8.141 23.768 -13.705 1.00 0.00 ATOM 600 O VAL 139 12.408 22.786 -14.457 1.00 0.00 ATOM 601 C VAL 139 11.457 22.538 -15.195 1.00 0.00 ATOM 602 N GLY 140 11.590 22.360 -16.504 1.00 0.00 ATOM 603 CA GLY 140 12.898 22.467 -17.134 1.00 0.00 ATOM 604 O GLY 140 11.812 23.404 -19.057 1.00 0.00 ATOM 605 C GLY 140 12.835 23.344 -18.373 1.00 0.00 ATOM 606 N VAL 141 13.935 24.030 -18.661 1.00 0.00 ATOM 607 CA VAL 141 14.002 24.883 -19.836 1.00 0.00 ATOM 608 CB VAL 141 13.567 26.324 -19.510 1.00 0.00 ATOM 609 CG1 VAL 141 14.525 26.957 -18.515 1.00 0.00 ATOM 610 CG2 VAL 141 13.553 27.172 -20.773 1.00 0.00 ATOM 611 O VAL 141 16.385 24.785 -19.597 1.00 0.00 ATOM 612 C VAL 141 15.431 24.924 -20.365 1.00 0.00 ATOM 613 N VAL 142 15.565 25.085 -21.682 1.00 0.00 ATOM 614 CA VAL 142 16.866 25.184 -22.345 1.00 0.00 ATOM 615 CB VAL 142 17.674 26.388 -21.826 1.00 0.00 ATOM 616 CG1 VAL 142 18.993 26.508 -22.575 1.00 0.00 ATOM 617 CG2 VAL 142 16.893 27.677 -22.020 1.00 0.00 ATOM 618 O VAL 142 17.422 22.860 -22.616 1.00 0.00 ATOM 619 C VAL 142 17.753 23.950 -22.141 1.00 0.00 ATOM 620 N PRO 143 18.883 24.120 -21.453 1.00 0.00 ATOM 621 CA PRO 143 19.787 22.996 -21.187 1.00 0.00 ATOM 622 CB PRO 143 21.175 23.639 -21.144 1.00 0.00 ATOM 623 CG PRO 143 20.938 24.999 -20.577 1.00 0.00 ATOM 624 CD PRO 143 19.620 25.459 -21.134 1.00 0.00 ATOM 625 O PRO 143 20.021 21.269 -19.522 1.00 0.00 ATOM 626 C PRO 143 19.450 22.310 -19.861 1.00 0.00 ATOM 627 N GLN 144 18.522 22.895 -19.112 1.00 0.00 ATOM 628 CA GLN 144 18.133 22.323 -17.833 1.00 0.00 ATOM 629 CB GLN 144 16.860 22.990 -17.312 1.00 0.00 ATOM 630 CG GLN 144 17.037 24.450 -16.926 1.00 0.00 ATOM 631 CD GLN 144 15.741 25.094 -16.472 1.00 0.00 ATOM 632 OE1 GLN 144 14.690 24.456 -16.462 1.00 0.00 ATOM 633 NE2 GLN 144 15.816 26.366 -16.092 1.00 0.00 ATOM 634 O GLN 144 18.247 20.117 -16.919 1.00 0.00 ATOM 635 C GLN 144 17.841 20.825 -17.840 1.00 0.00 TER END