PFRMAT TS TARGET T0340 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 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 near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. 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 which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD One new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD We got very little diversity of models for this target. It might have METHOD been useful to polish up a model from the second-best template, METHOD instead of concentrating all our effort on the best template, just ot METHOD hedge our bets a bit. We're actually fairly confident of P5-G85, but METHOD we did not attempt to sample different conformations for the termini, METHOD nor for the loops. METHOD METHOD Model 1 is try11-opt2, our best-scoring model. METHOD METHOD Model 2 is try6-opt2.gromacs0.repack-nonPC, Rosetta's favorite METHOD sidechain repacking of one of our backbones. METHOD METHOD Model 3 is try1-opt2, our fully automatic run. METHOD METHOD Model 4 is try12-opt2---similar to try1-opt2, but using only METHOD alignments to 1tp5A (the second-best template according to the METHOD HMMS, though BLAST puts it 19th) as templates. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 1g9oA, METHOD our best template. METHOD REMARK 6 REMARK 6 T0340 model 5 Thu Jul 13 14:40:15 2006 MODEL 5 PARENT 1g9o_A ATOM 2 N ARG 4 -17.839 4.005 4.840 1.00 0.00 ATOM 3 CA ARG 4 -16.640 4.309 5.604 1.00 0.00 ATOM 4 CB ARG 4 -16.891 4.105 7.099 1.00 0.00 ATOM 5 CG ARG 4 -17.863 5.104 7.708 1.00 0.00 ATOM 6 CD ARG 4 -18.107 4.809 9.178 1.00 0.00 ATOM 7 NE ARG 4 -18.822 3.550 9.373 1.00 0.00 ATOM 8 CZ ARG 4 -19.022 2.978 10.556 1.00 0.00 ATOM 9 NH1 ARG 4 -19.684 1.832 10.636 1.00 0.00 ATOM 10 NH2 ARG 4 -18.560 3.555 11.656 1.00 0.00 ATOM 11 O ARG 4 -15.570 2.329 4.791 1.00 0.00 ATOM 12 C ARG 4 -15.433 3.460 5.260 1.00 0.00 ATOM 13 N PRO 5 -14.227 4.011 5.465 1.00 0.00 ATOM 14 CA PRO 5 -13.009 3.250 5.198 1.00 0.00 ATOM 15 CB PRO 5 -11.883 4.258 5.437 1.00 0.00 ATOM 16 CG PRO 5 -12.525 5.590 5.237 1.00 0.00 ATOM 17 CD PRO 5 -13.925 5.462 5.771 1.00 0.00 ATOM 18 O PRO 5 -13.653 2.251 7.292 1.00 0.00 ATOM 19 C PRO 5 -13.063 2.108 6.217 1.00 0.00 ATOM 20 N ARG 6 -12.411 0.998 5.892 1.00 0.00 ATOM 21 CA ARG 6 -12.440 -0.208 6.703 1.00 0.00 ATOM 22 CB ARG 6 -13.240 -1.307 6.001 1.00 0.00 ATOM 23 CG ARG 6 -14.721 -0.999 5.854 1.00 0.00 ATOM 24 CD ARG 6 -15.454 -2.131 5.154 1.00 0.00 ATOM 25 NE ARG 6 -16.871 -1.830 4.960 1.00 0.00 ATOM 26 CZ ARG 6 -17.718 -2.615 4.303 1.00 0.00 ATOM 27 NH1 ARG 6 -18.990 -2.259 4.177 1.00 0.00 ATOM 28 NH2 ARG 6 -17.294 -3.753 3.774 1.00 0.00 ATOM 29 O ARG 6 -10.205 -0.695 6.044 1.00 0.00 ATOM 30 C ARG 6 -11.031 -0.725 6.947 1.00 0.00 ATOM 31 N LEU 7 -10.759 -1.192 8.160 1.00 0.00 ATOM 32 CA LEU 7 -9.436 -1.725 8.485 1.00 0.00 ATOM 33 CB LEU 7 -9.047 -1.360 9.919 1.00 0.00 ATOM 34 CG LEU 7 -8.951 0.134 10.236 1.00 0.00 ATOM 35 CD1 LEU 7 -8.633 0.352 11.707 1.00 0.00 ATOM 36 CD2 LEU 7 -7.853 0.788 9.411 1.00 0.00 ATOM 37 O LEU 7 -10.248 -3.934 8.929 1.00 0.00 ATOM 38 C LEU 7 -9.406 -3.241 8.360 1.00 0.00 ATOM 39 N CYS 8 -8.434 -3.748 7.603 1.00 0.00 ATOM 40 CA CYS 8 -8.246 -5.184 7.406 1.00 0.00 ATOM 41 CB CYS 8 -8.269 -5.528 5.917 1.00 0.00 ATOM 42 SG CYS 8 -9.822 -5.131 5.081 1.00 0.00 ATOM 43 O CYS 8 -5.873 -4.962 7.625 1.00 0.00 ATOM 44 C CYS 8 -6.894 -5.535 8.011 1.00 0.00 ATOM 45 N HIS 9 -6.877 -6.469 8.953 1.00 0.00 ATOM 46 CA HIS 9 -5.636 -6.857 9.609 1.00 0.00 ATOM 47 CB HIS 9 -5.814 -6.869 11.129 1.00 0.00 ATOM 48 CG HIS 9 -6.228 -5.547 11.699 1.00 0.00 ATOM 49 CD2 HIS 9 -7.464 -4.985 12.224 1.00 0.00 ATOM 50 ND1 HIS 9 -5.356 -4.489 11.836 1.00 0.00 ATOM 51 CE1 HIS 9 -6.014 -3.447 12.374 1.00 0.00 ATOM 52 NE2 HIS 9 -7.279 -3.737 12.609 1.00 0.00 ATOM 53 O HIS 9 -5.818 -9.251 9.541 1.00 0.00 ATOM 54 C HIS 9 -5.213 -8.248 9.161 1.00 0.00 ATOM 55 N LEU 10 -4.169 -8.302 8.341 1.00 0.00 ATOM 56 CA LEU 10 -3.692 -9.567 7.787 1.00 0.00 ATOM 57 CB LEU 10 -3.240 -9.381 6.338 1.00 0.00 ATOM 58 CG LEU 10 -4.342 -9.386 5.277 1.00 0.00 ATOM 59 CD1 LEU 10 -5.361 -8.293 5.555 1.00 0.00 ATOM 60 CD2 LEU 10 -3.757 -9.151 3.893 1.00 0.00 ATOM 61 O LEU 10 -1.576 -9.479 8.907 1.00 0.00 ATOM 62 C LEU 10 -2.511 -10.183 8.524 1.00 0.00 ATOM 63 N ARG 11 -2.553 -11.499 8.713 1.00 0.00 ATOM 64 CA ARG 11 -1.458 -12.238 9.345 1.00 0.00 ATOM 65 CB ARG 11 -2.007 -13.247 10.355 1.00 0.00 ATOM 66 CG ARG 11 -0.936 -13.965 11.160 1.00 0.00 ATOM 67 CD ARG 11 -1.551 -14.915 12.175 1.00 0.00 ATOM 68 NE ARG 11 -0.538 -15.547 13.018 1.00 0.00 ATOM 69 CZ ARG 11 -0.773 -16.578 13.823 1.00 0.00 ATOM 70 NH1 ARG 11 0.210 -17.088 14.553 1.00 0.00 ATOM 71 NH2 ARG 11 -1.990 -17.097 13.895 1.00 0.00 ATOM 72 O ARG 11 -1.346 -13.756 7.504 1.00 0.00 ATOM 73 C ARG 11 -0.741 -12.940 8.196 1.00 0.00 ATOM 74 N LYS 12 0.545 -12.648 7.989 1.00 0.00 ATOM 75 CA LYS 12 1.247 -13.262 6.862 1.00 0.00 ATOM 76 CB LYS 12 2.706 -12.802 6.825 1.00 0.00 ATOM 77 CG LYS 12 3.494 -13.329 5.638 1.00 0.00 ATOM 78 CD LYS 12 4.911 -12.782 5.629 1.00 0.00 ATOM 79 CE LYS 12 5.692 -13.289 4.426 1.00 0.00 ATOM 80 NZ LYS 12 7.092 -12.781 4.418 1.00 0.00 ATOM 81 O LYS 12 1.484 -15.364 8.009 1.00 0.00 ATOM 82 C LYS 12 1.247 -14.782 6.943 1.00 0.00 ATOM 83 N GLY 13 0.986 -15.411 5.799 1.00 0.00 ATOM 84 CA GLY 13 0.900 -16.859 5.721 1.00 0.00 ATOM 85 O GLY 13 3.048 -16.925 4.683 1.00 0.00 ATOM 86 C GLY 13 2.062 -17.564 5.050 1.00 0.00 ATOM 87 N PRO 14 1.950 -18.891 4.844 1.00 0.00 ATOM 88 CA PRO 14 3.010 -19.684 4.220 1.00 0.00 ATOM 89 CB PRO 14 2.350 -21.039 3.951 1.00 0.00 ATOM 90 CG PRO 14 1.298 -21.155 5.002 1.00 0.00 ATOM 91 CD PRO 14 0.720 -19.778 5.168 1.00 0.00 ATOM 92 O PRO 14 4.785 -19.320 2.676 1.00 0.00 ATOM 93 C PRO 14 3.589 -19.157 2.921 1.00 0.00 ATOM 94 N GLN 15 2.764 -18.525 2.093 1.00 0.00 ATOM 95 CA GLN 15 3.251 -17.988 0.830 1.00 0.00 ATOM 96 CB GLN 15 2.476 -18.592 -0.343 1.00 0.00 ATOM 97 CG GLN 15 2.615 -20.102 -0.466 1.00 0.00 ATOM 98 CD GLN 15 1.863 -20.659 -1.658 1.00 0.00 ATOM 99 OE1 GLN 15 1.196 -19.923 -2.385 1.00 0.00 ATOM 100 NE2 GLN 15 1.968 -21.969 -1.861 1.00 0.00 ATOM 101 O GLN 15 3.239 -15.905 -0.345 1.00 0.00 ATOM 102 C GLN 15 3.102 -16.476 0.735 1.00 0.00 ATOM 103 N GLY 16 2.840 -15.819 1.860 1.00 0.00 ATOM 104 CA GLY 16 2.693 -14.373 1.833 1.00 0.00 ATOM 105 O GLY 16 0.584 -14.648 2.934 1.00 0.00 ATOM 106 C GLY 16 1.298 -13.928 2.235 1.00 0.00 ATOM 107 N TYR 17 0.915 -12.738 1.787 1.00 0.00 ATOM 108 CA TYR 17 -0.407 -12.192 2.091 1.00 0.00 ATOM 109 CB TYR 17 -0.365 -10.663 2.104 1.00 0.00 ATOM 110 CG TYR 17 0.487 -10.083 3.211 1.00 0.00 ATOM 111 CD1 TYR 17 1.773 -9.626 2.952 1.00 0.00 ATOM 112 CD2 TYR 17 0.003 -9.997 4.509 1.00 0.00 ATOM 113 CE1 TYR 17 2.558 -9.095 3.957 1.00 0.00 ATOM 114 CE2 TYR 17 0.775 -9.468 5.526 1.00 0.00 ATOM 115 CZ TYR 17 2.062 -9.016 5.240 1.00 0.00 ATOM 116 OH TYR 17 2.842 -8.487 6.242 1.00 0.00 ATOM 117 O TYR 17 -2.636 -12.665 1.362 1.00 0.00 ATOM 118 C TYR 17 -1.451 -12.616 1.064 1.00 0.00 ATOM 119 N GLY 18 -1.019 -12.887 -0.153 1.00 0.00 ATOM 120 CA GLY 18 -1.963 -13.378 -1.137 1.00 0.00 ATOM 121 O GLY 18 -4.020 -12.784 -2.154 1.00 0.00 ATOM 122 C GLY 18 -2.874 -12.429 -1.869 1.00 0.00 ATOM 123 N PHE 19 -2.414 -11.221 -2.153 1.00 0.00 ATOM 124 CA PHE 19 -3.227 -10.326 -2.956 1.00 0.00 ATOM 125 CB PHE 19 -3.926 -9.295 -2.068 1.00 0.00 ATOM 126 CG PHE 19 -2.982 -8.361 -1.367 1.00 0.00 ATOM 127 CD1 PHE 19 -2.634 -7.148 -1.936 1.00 0.00 ATOM 128 CD2 PHE 19 -2.440 -8.695 -0.137 1.00 0.00 ATOM 129 CE1 PHE 19 -1.765 -6.289 -1.289 1.00 0.00 ATOM 130 CE2 PHE 19 -1.572 -7.836 0.509 1.00 0.00 ATOM 131 CZ PHE 19 -1.233 -6.638 -0.062 1.00 0.00 ATOM 132 O PHE 19 -1.094 -9.737 -3.872 1.00 0.00 ATOM 133 C PHE 19 -2.324 -9.614 -3.944 1.00 0.00 ATOM 134 N ASN 20 -2.938 -8.886 -4.871 1.00 0.00 ATOM 135 CA ASN 20 -2.231 -8.180 -5.926 1.00 0.00 ATOM 136 CB ASN 20 -2.456 -8.867 -7.274 1.00 0.00 ATOM 137 CG ASN 20 -1.953 -10.297 -7.291 1.00 0.00 ATOM 138 ND2 ASN 20 -2.879 -11.249 -7.294 1.00 0.00 ATOM 139 OD1 ASN 20 -0.746 -10.540 -7.301 1.00 0.00 ATOM 140 O ASN 20 -3.911 -6.483 -5.870 1.00 0.00 ATOM 141 C ASN 20 -2.712 -6.748 -6.041 1.00 0.00 ATOM 142 N LEU 21 -1.771 -5.848 -6.339 1.00 0.00 ATOM 143 CA LEU 21 -2.067 -4.428 -6.478 1.00 0.00 ATOM 144 CB LEU 21 -1.210 -3.606 -5.513 1.00 0.00 ATOM 145 CG LEU 21 -1.377 -3.918 -4.024 1.00 0.00 ATOM 146 CD1 LEU 21 -0.386 -3.120 -3.193 1.00 0.00 ATOM 147 CD2 LEU 21 -2.781 -3.564 -3.556 1.00 0.00 ATOM 148 O LEU 21 -0.948 -4.382 -8.598 1.00 0.00 ATOM 149 C LEU 21 -1.802 -3.885 -7.868 1.00 0.00 ATOM 150 N HIS 22 -2.548 -2.849 -8.223 1.00 0.00 ATOM 151 CA HIS 22 -2.338 -2.161 -9.483 1.00 0.00 ATOM 152 CB HIS 22 -2.925 -2.973 -10.640 1.00 0.00 ATOM 153 CG HIS 22 -2.541 -2.459 -11.993 1.00 0.00 ATOM 154 CD2 HIS 22 -1.470 -2.732 -12.941 1.00 0.00 ATOM 155 ND1 HIS 22 -3.264 -1.490 -12.654 1.00 0.00 ATOM 156 CE1 HIS 22 -2.678 -1.239 -13.839 1.00 0.00 ATOM 157 NE2 HIS 22 -1.601 -1.980 -14.017 1.00 0.00 ATOM 158 O HIS 22 -3.820 -0.589 -8.469 1.00 0.00 ATOM 159 C HIS 22 -3.030 -0.821 -9.383 1.00 0.00 ATOM 160 N SER 23 -2.703 0.078 -10.300 1.00 0.00 ATOM 161 CA SER 23 -3.332 1.384 -10.288 1.00 0.00 ATOM 162 CB SER 23 -2.428 2.421 -10.957 1.00 0.00 ATOM 163 OG SER 23 -2.325 2.184 -12.351 1.00 0.00 ATOM 164 O SER 23 -4.999 0.212 -11.538 1.00 0.00 ATOM 165 C SER 23 -4.641 1.283 -11.048 1.00 0.00 ATOM 166 N ASP 24 -5.376 2.386 -11.129 1.00 0.00 ATOM 167 CA ASP 24 -6.628 2.384 -11.864 1.00 0.00 ATOM 168 CB ASP 24 -7.814 2.493 -10.904 1.00 0.00 ATOM 169 CG ASP 24 -9.127 2.103 -11.553 1.00 0.00 ATOM 170 OD1 ASP 24 -9.098 1.590 -12.692 1.00 0.00 ATOM 171 OD2 ASP 24 -10.186 2.310 -10.923 1.00 0.00 ATOM 172 O ASP 24 -6.025 4.591 -12.572 1.00 0.00 ATOM 173 C ASP 24 -6.659 3.560 -12.817 1.00 0.00 ATOM 174 N LYS 25 -7.397 3.387 -13.907 1.00 0.00 ATOM 175 CA LYS 25 -7.521 4.411 -14.933 1.00 0.00 ATOM 176 CB LYS 25 -8.443 3.933 -16.057 1.00 0.00 ATOM 177 CG LYS 25 -8.567 4.912 -17.213 1.00 0.00 ATOM 178 CD LYS 25 -9.427 4.340 -18.330 1.00 0.00 ATOM 179 CE LYS 25 -9.614 5.347 -19.454 1.00 0.00 ATOM 180 NZ LYS 25 -10.396 4.776 -20.584 1.00 0.00 ATOM 181 O LYS 25 -9.177 5.700 -13.768 1.00 0.00 ATOM 182 C LYS 25 -8.101 5.704 -14.371 1.00 0.00 ATOM 183 N SER 26 -7.369 6.799 -14.558 1.00 0.00 ATOM 184 CA SER 26 -7.811 8.095 -14.076 1.00 0.00 ATOM 185 CB SER 26 -9.314 8.268 -14.304 1.00 0.00 ATOM 186 OG SER 26 -10.061 7.494 -13.381 1.00 0.00 ATOM 187 O SER 26 -7.933 9.427 -12.095 1.00 0.00 ATOM 188 C SER 26 -7.585 8.354 -12.598 1.00 0.00 ATOM 189 N ARG 27 -6.989 7.394 -11.896 1.00 0.00 ATOM 190 CA ARG 27 -6.754 7.543 -10.461 1.00 0.00 ATOM 191 CB ARG 27 -7.406 6.394 -9.689 1.00 0.00 ATOM 192 CG ARG 27 -8.905 6.268 -9.910 1.00 0.00 ATOM 193 CD ARG 27 -9.669 7.309 -9.107 1.00 0.00 ATOM 194 NE ARG 27 -11.109 7.230 -9.339 1.00 0.00 ATOM 195 CZ ARG 27 -12.006 8.013 -8.748 1.00 0.00 ATOM 196 NH1 ARG 27 -13.295 7.869 -9.021 1.00 0.00 ATOM 197 NH2 ARG 27 -11.610 8.938 -7.883 1.00 0.00 ATOM 198 O ARG 27 -4.414 7.046 -10.753 1.00 0.00 ATOM 199 C ARG 27 -5.285 7.552 -10.039 1.00 0.00 ATOM 200 N PRO 28 -5.023 8.123 -8.866 1.00 0.00 ATOM 201 CA PRO 28 -3.665 8.235 -8.334 1.00 0.00 ATOM 202 CB PRO 28 -3.726 9.456 -7.416 1.00 0.00 ATOM 203 CG PRO 28 -5.149 9.517 -6.968 1.00 0.00 ATOM 204 CD PRO 28 -5.970 9.030 -8.130 1.00 0.00 ATOM 205 O PRO 28 -1.952 6.710 -7.636 1.00 0.00 ATOM 206 C PRO 28 -3.138 7.044 -7.540 1.00 0.00 ATOM 207 N GLY 29 -4.010 6.408 -6.762 1.00 0.00 ATOM 208 CA GLY 29 -3.568 5.311 -5.915 1.00 0.00 ATOM 209 O GLY 29 -3.798 3.574 -7.581 1.00 0.00 ATOM 210 C GLY 29 -3.587 3.877 -6.402 1.00 0.00 ATOM 211 N GLN 30 -3.363 2.981 -5.446 1.00 0.00 ATOM 212 CA GLN 30 -3.329 1.553 -5.712 1.00 0.00 ATOM 213 CB GLN 30 -2.168 0.895 -4.963 1.00 0.00 ATOM 214 CG GLN 30 -0.799 1.432 -5.347 1.00 0.00 ATOM 215 CD GLN 30 -0.458 1.172 -6.800 1.00 0.00 ATOM 216 OE1 GLN 30 -0.524 0.036 -7.270 1.00 0.00 ATOM 217 NE2 GLN 30 -0.093 2.228 -7.520 1.00 0.00 ATOM 218 O GLN 30 -5.191 1.215 -4.244 1.00 0.00 ATOM 219 C GLN 30 -4.615 0.869 -5.271 1.00 0.00 ATOM 220 N TYR 31 -5.038 -0.117 -6.064 1.00 0.00 ATOM 221 CA TYR 31 -6.260 -0.873 -5.821 1.00 0.00 ATOM 222 CB TYR 31 -7.304 -0.565 -6.896 1.00 0.00 ATOM 223 CG TYR 31 -7.736 0.883 -6.933 1.00 0.00 ATOM 224 CD1 TYR 31 -7.059 1.808 -7.721 1.00 0.00 ATOM 225 CD2 TYR 31 -8.817 1.323 -6.181 1.00 0.00 ATOM 226 CE1 TYR 31 -7.447 3.134 -7.762 1.00 0.00 ATOM 227 CE2 TYR 31 -9.220 2.645 -6.209 1.00 0.00 ATOM 228 CZ TYR 31 -8.523 3.551 -7.008 1.00 0.00 ATOM 229 OH TYR 31 -8.911 4.872 -7.047 1.00 0.00 ATOM 230 O TYR 31 -4.990 -2.805 -6.452 1.00 0.00 ATOM 231 C TYR 31 -5.967 -2.357 -5.844 1.00 0.00 ATOM 232 N ILE 32 -6.812 -3.132 -5.176 1.00 0.00 ATOM 233 CA ILE 32 -6.627 -4.579 -5.147 1.00 0.00 ATOM 234 CB ILE 32 -7.403 -5.224 -3.984 1.00 0.00 ATOM 235 CG1 ILE 32 -6.883 -4.701 -2.643 1.00 0.00 ATOM 236 CG2 ILE 32 -7.237 -6.735 -4.008 1.00 0.00 ATOM 237 CD1 ILE 32 -7.737 -5.101 -1.459 1.00 0.00 ATOM 238 O ILE 32 -8.308 -5.105 -6.784 1.00 0.00 ATOM 239 C ILE 32 -7.129 -5.181 -6.451 1.00 0.00 ATOM 240 N ARG 33 -6.208 -5.756 -7.206 1.00 0.00 ATOM 241 CA ARG 33 -6.539 -6.369 -8.485 1.00 0.00 ATOM 242 CB ARG 33 -5.280 -6.554 -9.335 1.00 0.00 ATOM 243 CG ARG 33 -5.547 -7.086 -10.733 1.00 0.00 ATOM 244 CD ARG 33 -4.273 -7.127 -11.560 1.00 0.00 ATOM 245 NE ARG 33 -4.518 -7.601 -12.920 1.00 0.00 ATOM 246 CZ ARG 33 -3.570 -7.769 -13.836 1.00 0.00 ATOM 247 NH1 ARG 33 -3.887 -8.204 -15.047 1.00 0.00 ATOM 248 NH2 ARG 33 -2.306 -7.499 -13.537 1.00 0.00 ATOM 249 O ARG 33 -8.093 -8.104 -9.090 1.00 0.00 ATOM 250 C ARG 33 -7.187 -7.748 -8.331 1.00 0.00 ATOM 251 N SER 34 -6.724 -8.518 -7.352 1.00 0.00 ATOM 252 CA SER 34 -7.210 -9.867 -7.129 1.00 0.00 ATOM 253 CB SER 34 -6.623 -10.826 -8.167 1.00 0.00 ATOM 254 OG SER 34 -7.052 -12.156 -7.932 1.00 0.00 ATOM 255 O SER 34 -5.703 -10.025 -5.276 1.00 0.00 ATOM 256 C SER 34 -6.804 -10.336 -5.743 1.00 0.00 ATOM 257 N VAL 35 -7.710 -11.051 -5.080 1.00 0.00 ATOM 258 CA VAL 35 -7.440 -11.639 -3.773 1.00 0.00 ATOM 259 CB VAL 35 -8.550 -11.299 -2.761 1.00 0.00 ATOM 260 CG1 VAL 35 -8.265 -11.954 -1.418 1.00 0.00 ATOM 261 CG2 VAL 35 -8.638 -9.794 -2.553 1.00 0.00 ATOM 262 O VAL 35 -8.302 -13.753 -4.567 1.00 0.00 ATOM 263 C VAL 35 -7.376 -13.153 -4.015 1.00 0.00 ATOM 264 N ASP 36 -6.279 -13.785 -3.628 1.00 0.00 ATOM 265 CA ASP 36 -6.160 -15.221 -3.851 1.00 0.00 ATOM 266 CB ASP 36 -4.702 -15.665 -3.720 1.00 0.00 ATOM 267 CG ASP 36 -3.817 -15.086 -4.805 1.00 0.00 ATOM 268 OD1 ASP 36 -4.217 -15.138 -5.988 1.00 0.00 ATOM 269 OD2 ASP 36 -2.723 -14.581 -4.475 1.00 0.00 ATOM 270 O ASP 36 -6.962 -15.743 -1.649 1.00 0.00 ATOM 271 C ASP 36 -6.979 -16.018 -2.849 1.00 0.00 ATOM 272 N PRO 37 -7.745 -17.007 -3.336 1.00 0.00 ATOM 273 CA PRO 37 -8.558 -17.831 -2.445 1.00 0.00 ATOM 274 CB PRO 37 -9.184 -18.874 -3.375 1.00 0.00 ATOM 275 CG PRO 37 -9.196 -18.219 -4.715 1.00 0.00 ATOM 276 CD PRO 37 -7.929 -17.414 -4.796 1.00 0.00 ATOM 277 O PRO 37 -6.616 -18.973 -1.652 1.00 0.00 ATOM 278 C PRO 37 -7.710 -18.493 -1.366 1.00 0.00 ATOM 279 N GLY 38 -8.239 -18.509 -0.141 1.00 0.00 ATOM 280 CA GLY 38 -7.571 -19.107 1.002 1.00 0.00 ATOM 281 O GLY 38 -5.883 -18.693 2.642 1.00 0.00 ATOM 282 C GLY 38 -6.464 -18.287 1.636 1.00 0.00 ATOM 283 N SER 39 -6.194 -17.121 1.071 1.00 0.00 ATOM 284 CA SER 39 -5.114 -16.264 1.547 1.00 0.00 ATOM 285 CB SER 39 -4.745 -15.228 0.486 1.00 0.00 ATOM 286 OG SER 39 -5.801 -14.306 0.283 1.00 0.00 ATOM 287 O SER 39 -6.535 -15.340 3.227 1.00 0.00 ATOM 288 C SER 39 -5.396 -15.470 2.803 1.00 0.00 ATOM 289 N PRO 40 -4.334 -14.955 3.433 1.00 0.00 ATOM 290 CA PRO 40 -4.537 -14.140 4.633 1.00 0.00 ATOM 291 CB PRO 40 -3.120 -13.760 5.066 1.00 0.00 ATOM 292 CG PRO 40 -2.259 -14.853 4.530 1.00 0.00 ATOM 293 CD PRO 40 -2.851 -15.237 3.203 1.00 0.00 ATOM 294 O PRO 40 -6.170 -12.409 5.033 1.00 0.00 ATOM 295 C PRO 40 -5.389 -12.921 4.236 1.00 0.00 ATOM 296 N ALA 41 -5.232 -12.457 3.004 1.00 0.00 ATOM 297 CA ALA 41 -6.016 -11.324 2.517 1.00 0.00 ATOM 298 CB ALA 41 -5.605 -10.966 1.098 1.00 0.00 ATOM 299 O ALA 41 -8.331 -10.879 2.948 1.00 0.00 ATOM 300 C ALA 41 -7.496 -11.683 2.528 1.00 0.00 ATOM 301 N ALA 42 -7.835 -12.882 2.059 1.00 0.00 ATOM 302 CA ALA 42 -9.241 -13.281 2.071 1.00 0.00 ATOM 303 CB ALA 42 -9.417 -14.622 1.374 1.00 0.00 ATOM 304 O ALA 42 -10.840 -12.940 3.828 1.00 0.00 ATOM 305 C ALA 42 -9.749 -13.412 3.513 1.00 0.00 ATOM 306 N ARG 43 -8.941 -14.014 4.386 1.00 0.00 ATOM 307 CA ARG 43 -9.329 -14.209 5.787 1.00 0.00 ATOM 308 CB ARG 43 -8.237 -14.966 6.545 1.00 0.00 ATOM 309 CG ARG 43 -8.113 -16.431 6.155 1.00 0.00 ATOM 310 CD ARG 43 -6.957 -17.099 6.883 1.00 0.00 ATOM 311 NE ARG 43 -6.810 -18.502 6.501 1.00 0.00 ATOM 312 CZ ARG 43 -5.814 -19.285 6.904 1.00 0.00 ATOM 313 NH1 ARG 43 -5.762 -20.549 6.508 1.00 0.00 ATOM 314 NH2 ARG 43 -4.873 -18.802 7.704 1.00 0.00 ATOM 315 O ARG 43 -10.351 -12.831 7.472 1.00 0.00 ATOM 316 C ARG 43 -9.559 -12.889 6.519 1.00 0.00 ATOM 317 N SER 44 -8.866 -11.841 6.084 1.00 0.00 ATOM 318 CA SER 44 -9.002 -10.525 6.704 1.00 0.00 ATOM 319 CB SER 44 -7.698 -9.736 6.580 1.00 0.00 ATOM 320 OG SER 44 -6.644 -10.380 7.275 1.00 0.00 ATOM 321 O SER 44 -10.308 -8.540 6.467 1.00 0.00 ATOM 322 C SER 44 -10.102 -9.685 6.064 1.00 0.00 ATOM 323 N GLY 45 -10.776 -10.233 5.056 1.00 0.00 ATOM 324 CA GLY 45 -11.867 -9.511 4.418 1.00 0.00 ATOM 325 O GLY 45 -12.373 -7.754 2.881 1.00 0.00 ATOM 326 C GLY 45 -11.543 -8.580 3.270 1.00 0.00 ATOM 327 N LEU 46 -10.350 -8.700 2.702 1.00 0.00 ATOM 328 CA LEU 46 -10.008 -7.837 1.572 1.00 0.00 ATOM 329 CB LEU 46 -8.513 -7.928 1.262 1.00 0.00 ATOM 330 CG LEU 46 -7.563 -7.425 2.351 1.00 0.00 ATOM 331 CD1 LEU 46 -6.114 -7.684 1.964 1.00 0.00 ATOM 332 CD2 LEU 46 -7.736 -5.929 2.566 1.00 0.00 ATOM 333 O LEU 46 -11.077 -9.479 0.174 1.00 0.00 ATOM 334 C LEU 46 -10.808 -8.291 0.347 1.00 0.00 ATOM 335 N ARG 47 -11.164 -7.333 -0.504 1.00 0.00 ATOM 336 CA ARG 47 -11.912 -7.603 -1.730 1.00 0.00 ATOM 337 CB ARG 47 -13.336 -7.055 -1.622 1.00 0.00 ATOM 338 CG ARG 47 -14.176 -7.717 -0.542 1.00 0.00 ATOM 339 CD ARG 47 -15.555 -7.084 -0.450 1.00 0.00 ATOM 340 NE ARG 47 -16.383 -7.724 0.569 1.00 0.00 ATOM 341 CZ ARG 47 -17.619 -7.343 0.875 1.00 0.00 ATOM 342 NH1 ARG 47 -18.296 -7.983 1.817 1.00 0.00 ATOM 343 NH2 ARG 47 -18.175 -6.321 0.237 1.00 0.00 ATOM 344 O ARG 47 -10.675 -5.903 -2.890 1.00 0.00 ATOM 345 C ARG 47 -11.279 -6.969 -2.967 1.00 0.00 ATOM 346 N ALA 48 -11.430 -7.624 -4.118 1.00 0.00 ATOM 347 CA ALA 48 -10.931 -7.057 -5.362 1.00 0.00 ATOM 348 CB ALA 48 -11.197 -8.004 -6.522 1.00 0.00 ATOM 349 O ALA 48 -12.895 -5.650 -5.273 1.00 0.00 ATOM 350 C ALA 48 -11.683 -5.740 -5.557 1.00 0.00 ATOM 351 N GLN 49 -10.972 -4.724 -6.034 1.00 0.00 ATOM 352 CA GLN 49 -11.587 -3.422 -6.237 1.00 0.00 ATOM 353 CB GLN 49 -13.099 -3.565 -6.415 1.00 0.00 ATOM 354 CG GLN 49 -13.509 -4.295 -7.685 1.00 0.00 ATOM 355 CD GLN 49 -15.012 -4.456 -7.805 1.00 0.00 ATOM 356 OE1 GLN 49 -15.766 -3.986 -6.953 1.00 0.00 ATOM 357 NE2 GLN 49 -15.450 -5.121 -8.868 1.00 0.00 ATOM 358 O GLN 49 -11.598 -1.262 -5.216 1.00 0.00 ATOM 359 C GLN 49 -11.366 -2.465 -5.073 1.00 0.00 ATOM 360 N ASP 50 -10.927 -2.983 -3.925 1.00 0.00 ATOM 361 CA ASP 50 -10.660 -2.129 -2.760 1.00 0.00 ATOM 362 CB ASP 50 -10.184 -2.972 -1.575 1.00 0.00 ATOM 363 CG ASP 50 -11.301 -3.785 -0.952 1.00 0.00 ATOM 364 OD1 ASP 50 -12.476 -3.551 -1.308 1.00 0.00 ATOM 365 OD2 ASP 50 -11.004 -4.657 -0.108 1.00 0.00 ATOM 366 O ASP 50 -8.581 -1.425 -3.746 1.00 0.00 ATOM 367 C ASP 50 -9.582 -1.105 -3.086 1.00 0.00 ATOM 368 N ARG 51 -9.782 0.122 -2.611 1.00 0.00 ATOM 369 CA ARG 51 -8.803 1.194 -2.795 1.00 0.00 ATOM 370 CB ARG 51 -9.509 2.527 -3.055 1.00 0.00 ATOM 371 CG ARG 51 -8.567 3.681 -3.354 1.00 0.00 ATOM 372 CD ARG 51 -9.335 4.962 -3.637 1.00 0.00 ATOM 373 NE ARG 51 -8.445 6.071 -3.970 1.00 0.00 ATOM 374 CZ ARG 51 -8.838 7.335 -4.087 1.00 0.00 ATOM 375 NH1 ARG 51 -7.958 8.279 -4.393 1.00 0.00 ATOM 376 NH2 ARG 51 -10.112 7.653 -3.898 1.00 0.00 ATOM 377 O ARG 51 -8.548 1.313 -0.414 1.00 0.00 ATOM 378 C ARG 51 -7.988 1.265 -1.505 1.00 0.00 ATOM 379 N LEU 52 -6.665 1.281 -1.619 1.00 0.00 ATOM 380 CA LEU 52 -5.813 1.359 -0.437 1.00 0.00 ATOM 381 CB LEU 52 -4.440 0.746 -0.725 1.00 0.00 ATOM 382 CG LEU 52 -4.428 -0.734 -1.113 1.00 0.00 ATOM 383 CD1 LEU 52 -3.020 -1.182 -1.477 1.00 0.00 ATOM 384 CD2 LEU 52 -4.919 -1.597 0.040 1.00 0.00 ATOM 385 O LEU 52 -5.106 3.616 -0.783 1.00 0.00 ATOM 386 C LEU 52 -5.604 2.802 -0.005 1.00 0.00 ATOM 387 N ILE 53 -5.975 3.104 1.237 1.00 0.00 ATOM 388 CA ILE 53 -5.815 4.442 1.801 1.00 0.00 ATOM 389 CB ILE 53 -7.037 4.847 2.647 1.00 0.00 ATOM 390 CG1 ILE 53 -8.315 4.779 1.806 1.00 0.00 ATOM 391 CG2 ILE 53 -6.878 6.268 3.168 1.00 0.00 ATOM 392 CD1 ILE 53 -8.285 5.666 0.580 1.00 0.00 ATOM 393 O ILE 53 -3.781 5.423 2.616 1.00 0.00 ATOM 394 C ILE 53 -4.575 4.485 2.700 1.00 0.00 ATOM 395 N GLU 54 -4.413 3.486 3.568 1.00 0.00 ATOM 396 CA GLU 54 -3.239 3.427 4.449 1.00 0.00 ATOM 397 CB GLU 54 -3.604 3.887 5.861 1.00 0.00 ATOM 398 CG GLU 54 -4.055 5.336 5.945 1.00 0.00 ATOM 399 CD GLU 54 -4.391 5.762 7.359 1.00 0.00 ATOM 400 OE1 GLU 54 -4.314 4.909 8.270 1.00 0.00 ATOM 401 OE2 GLU 54 -4.730 6.946 7.560 1.00 0.00 ATOM 402 O GLU 54 -3.416 1.040 4.439 1.00 0.00 ATOM 403 C GLU 54 -2.679 2.024 4.553 1.00 0.00 ATOM 404 N VAL 55 -1.368 1.953 4.776 1.00 0.00 ATOM 405 CA VAL 55 -0.676 0.688 5.019 1.00 0.00 ATOM 406 CB VAL 55 0.304 0.352 3.880 1.00 0.00 ATOM 407 CG1 VAL 55 1.031 -0.952 4.169 1.00 0.00 ATOM 408 CG2 VAL 55 -0.441 0.206 2.562 1.00 0.00 ATOM 409 O VAL 55 0.919 1.810 6.434 1.00 0.00 ATOM 410 C VAL 55 0.064 0.921 6.339 1.00 0.00 ATOM 411 N ASN 56 -0.282 0.135 7.354 1.00 0.00 ATOM 412 CA ASN 56 0.295 0.258 8.691 1.00 0.00 ATOM 413 CB ASN 56 1.747 -0.224 8.693 1.00 0.00 ATOM 414 CG ASN 56 2.274 -0.479 10.092 1.00 0.00 ATOM 415 ND2 ASN 56 3.584 -0.347 10.262 1.00 0.00 ATOM 416 OD1 ASN 56 1.511 -0.789 11.006 1.00 0.00 ATOM 417 O ASN 56 1.276 2.240 9.689 1.00 0.00 ATOM 418 C ASN 56 0.282 1.710 9.173 1.00 0.00 ATOM 419 N GLY 57 -0.873 2.348 8.987 1.00 0.00 ATOM 420 CA GLY 57 -1.082 3.706 9.454 1.00 0.00 ATOM 421 O GLY 57 -0.692 6.017 9.045 1.00 0.00 ATOM 422 C GLY 57 -0.523 4.853 8.650 1.00 0.00 ATOM 423 N GLN 58 0.139 4.543 7.542 1.00 0.00 ATOM 424 CA GLN 58 0.734 5.563 6.678 1.00 0.00 ATOM 425 CB GLN 58 2.144 5.150 6.255 1.00 0.00 ATOM 426 CG GLN 58 3.128 5.027 7.406 1.00 0.00 ATOM 427 CD GLN 58 3.353 6.343 8.122 1.00 0.00 ATOM 428 OE1 GLN 58 3.693 7.350 7.500 1.00 0.00 ATOM 429 NE2 GLN 58 3.164 6.340 9.436 1.00 0.00 ATOM 430 O GLN 58 -0.477 4.768 4.766 1.00 0.00 ATOM 431 C GLN 58 -0.123 5.743 5.430 1.00 0.00 ATOM 432 N ASN 59 -0.440 6.987 5.093 1.00 0.00 ATOM 433 CA ASN 59 -1.257 7.260 3.922 1.00 0.00 ATOM 434 CB ASN 59 -1.641 8.739 3.870 1.00 0.00 ATOM 435 CG ASN 59 -2.600 9.131 4.978 1.00 0.00 ATOM 436 ND2 ASN 59 -2.623 10.416 5.312 1.00 0.00 ATOM 437 OD1 ASN 59 -3.312 8.287 5.524 1.00 0.00 ATOM 438 O ASN 59 0.635 7.339 2.429 1.00 0.00 ATOM 439 C ASN 59 -0.511 6.921 2.636 1.00 0.00 ATOM 440 N VAL 60 -1.152 6.139 1.771 1.00 0.00 ATOM 441 CA VAL 60 -0.525 5.728 0.517 1.00 0.00 ATOM 442 CB VAL 60 -0.368 4.198 0.440 1.00 0.00 ATOM 443 CG1 VAL 60 0.593 3.707 1.511 1.00 0.00 ATOM 444 CG2 VAL 60 -1.711 3.513 0.648 1.00 0.00 ATOM 445 O VAL 60 -1.102 5.665 -1.817 1.00 0.00 ATOM 446 C VAL 60 -1.333 6.150 -0.707 1.00 0.00 ATOM 447 N GLU 61 -2.259 7.079 -0.508 1.00 0.00 ATOM 448 CA GLU 61 -3.113 7.534 -1.600 1.00 0.00 ATOM 449 CB GLU 61 -4.094 8.598 -1.104 1.00 0.00 ATOM 450 CG GLU 61 -5.186 8.060 -0.194 1.00 0.00 ATOM 451 CD GLU 61 -6.083 9.154 0.351 1.00 0.00 ATOM 452 OE1 GLU 61 -5.807 10.340 0.075 1.00 0.00 ATOM 453 OE2 GLU 61 -7.060 8.826 1.056 1.00 0.00 ATOM 454 O GLU 61 -2.886 8.132 -3.906 1.00 0.00 ATOM 455 C GLU 61 -2.382 8.159 -2.778 1.00 0.00 ATOM 456 N GLY 62 -1.205 8.716 -2.532 1.00 0.00 ATOM 457 CA GLY 62 -0.453 9.347 -3.603 1.00 0.00 ATOM 458 O GLY 62 1.638 9.158 -4.723 1.00 0.00 ATOM 459 C GLY 62 0.861 8.662 -3.918 1.00 0.00 ATOM 460 N LEU 63 1.112 7.518 -3.291 1.00 0.00 ATOM 461 CA LEU 63 2.359 6.812 -3.534 1.00 0.00 ATOM 462 CB LEU 63 2.703 5.906 -2.349 1.00 0.00 ATOM 463 CG LEU 63 2.943 6.604 -1.010 1.00 0.00 ATOM 464 CD1 LEU 63 3.171 5.585 0.095 1.00 0.00 ATOM 465 CD2 LEU 63 4.168 7.504 -1.085 1.00 0.00 ATOM 466 O LEU 63 1.245 5.596 -5.279 1.00 0.00 ATOM 467 C LEU 63 2.315 5.931 -4.770 1.00 0.00 ATOM 468 N ARG 64 3.500 5.579 -5.256 1.00 0.00 ATOM 469 CA ARG 64 3.623 4.739 -6.437 1.00 0.00 ATOM 470 CB ARG 64 5.020 4.875 -7.048 1.00 0.00 ATOM 471 CG ARG 64 5.314 6.250 -7.625 1.00 0.00 ATOM 472 CD ARG 64 6.677 6.287 -8.297 1.00 0.00 ATOM 473 NE ARG 64 6.957 7.592 -8.891 1.00 0.00 ATOM 474 CZ ARG 64 8.061 7.880 -9.573 1.00 0.00 ATOM 475 NH1 ARG 64 8.233 9.095 -10.077 1.00 0.00 ATOM 476 NH2 ARG 64 8.993 6.952 -9.749 1.00 0.00 ATOM 477 O ARG 64 3.457 2.852 -4.946 1.00 0.00 ATOM 478 C ARG 64 3.400 3.270 -6.105 1.00 0.00 ATOM 479 N HIS 65 3.172 2.486 -7.150 1.00 0.00 ATOM 480 CA HIS 65 2.994 1.053 -6.998 1.00 0.00 ATOM 481 CB HIS 65 2.938 0.372 -8.368 1.00 0.00 ATOM 482 CG HIS 65 2.835 -1.120 -8.296 1.00 0.00 ATOM 483 CD2 HIS 65 3.750 -2.235 -8.489 1.00 0.00 ATOM 484 ND1 HIS 65 1.660 -1.771 -7.985 1.00 0.00 ATOM 485 CE1 HIS 65 1.878 -3.096 -7.999 1.00 0.00 ATOM 486 NE2 HIS 65 3.130 -3.383 -8.300 1.00 0.00 ATOM 487 O HIS 65 3.972 -0.268 -5.221 1.00 0.00 ATOM 488 C HIS 65 4.169 0.463 -6.197 1.00 0.00 ATOM 489 N ALA 66 5.402 0.774 -6.590 1.00 0.00 ATOM 490 CA ALA 66 6.530 0.202 -5.862 1.00 0.00 ATOM 491 CB ALA 66 7.844 0.647 -6.487 1.00 0.00 ATOM 492 O ALA 66 6.915 -0.226 -3.548 1.00 0.00 ATOM 493 C ALA 66 6.589 0.600 -4.405 1.00 0.00 ATOM 494 N GLU 67 6.270 1.855 -4.119 1.00 0.00 ATOM 495 CA GLU 67 6.308 2.335 -2.746 1.00 0.00 ATOM 496 CB GLU 67 5.980 3.828 -2.690 1.00 0.00 ATOM 497 CG GLU 67 7.066 4.725 -3.259 1.00 0.00 ATOM 498 CD GLU 67 6.657 6.183 -3.301 1.00 0.00 ATOM 499 OE1 GLU 67 5.495 6.484 -2.954 1.00 0.00 ATOM 500 OE2 GLU 67 7.498 7.026 -3.682 1.00 0.00 ATOM 501 O GLU 67 5.606 1.179 -0.774 1.00 0.00 ATOM 502 C GLU 67 5.295 1.590 -1.890 1.00 0.00 ATOM 503 N VAL 68 4.096 1.385 -2.421 1.00 0.00 ATOM 504 CA VAL 68 3.072 0.694 -1.643 1.00 0.00 ATOM 505 CB VAL 68 1.698 0.756 -2.339 1.00 0.00 ATOM 506 CG1 VAL 68 0.694 -0.126 -1.612 1.00 0.00 ATOM 507 CG2 VAL 68 1.169 2.182 -2.348 1.00 0.00 ATOM 508 O VAL 68 3.336 -1.312 -0.371 1.00 0.00 ATOM 509 C VAL 68 3.448 -0.773 -1.467 1.00 0.00 ATOM 510 N VAL 69 3.896 -1.406 -2.544 1.00 0.00 ATOM 511 CA VAL 69 4.303 -2.804 -2.487 1.00 0.00 ATOM 512 CB VAL 69 4.829 -3.295 -3.848 1.00 0.00 ATOM 513 CG1 VAL 69 5.429 -4.685 -3.718 1.00 0.00 ATOM 514 CG2 VAL 69 3.701 -3.351 -4.867 1.00 0.00 ATOM 515 O VAL 69 5.385 -3.951 -0.674 1.00 0.00 ATOM 516 C VAL 69 5.415 -3.005 -1.456 1.00 0.00 ATOM 517 N ALA 70 6.398 -2.112 -1.438 1.00 0.00 ATOM 518 CA ALA 70 7.481 -2.248 -0.475 1.00 0.00 ATOM 519 CB ALA 70 8.539 -1.180 -0.712 1.00 0.00 ATOM 520 O ALA 70 7.582 -2.752 1.854 1.00 0.00 ATOM 521 C ALA 70 7.021 -2.108 0.967 1.00 0.00 ATOM 522 N SER 71 6.018 -1.266 1.220 1.00 0.00 ATOM 523 CA SER 71 5.528 -1.124 2.590 1.00 0.00 ATOM 524 CB SER 71 4.463 -0.029 2.668 1.00 0.00 ATOM 525 OG SER 71 5.012 1.240 2.361 1.00 0.00 ATOM 526 O SER 71 4.987 -2.782 4.237 1.00 0.00 ATOM 527 C SER 71 4.917 -2.440 3.058 1.00 0.00 ATOM 528 N ILE 72 4.305 -3.174 2.129 1.00 0.00 ATOM 529 CA ILE 72 3.671 -4.445 2.446 1.00 0.00 ATOM 530 CB ILE 72 2.644 -4.848 1.373 1.00 0.00 ATOM 531 CG1 ILE 72 1.468 -3.869 1.365 1.00 0.00 ATOM 532 CG2 ILE 72 2.107 -6.245 1.646 1.00 0.00 ATOM 533 CD1 ILE 72 0.535 -4.043 0.188 1.00 0.00 ATOM 534 O ILE 72 4.691 -6.365 3.493 1.00 0.00 ATOM 535 C ILE 72 4.699 -5.574 2.542 1.00 0.00 ATOM 536 N LYS 73 5.616 -5.626 1.585 1.00 0.00 ATOM 537 CA LYS 73 6.613 -6.688 1.588 1.00 0.00 ATOM 538 CB LYS 73 7.524 -6.574 0.364 1.00 0.00 ATOM 539 CG LYS 73 8.570 -7.672 0.262 1.00 0.00 ATOM 540 CD LYS 73 9.379 -7.546 -1.018 1.00 0.00 ATOM 541 CE LYS 73 10.412 -8.655 -1.129 1.00 0.00 ATOM 542 NZ LYS 73 11.212 -8.547 -2.379 1.00 0.00 ATOM 543 O LYS 73 7.918 -7.679 3.353 1.00 0.00 ATOM 544 C LYS 73 7.504 -6.639 2.829 1.00 0.00 ATOM 545 N ALA 74 7.786 -5.428 3.305 1.00 0.00 ATOM 546 CA ALA 74 8.619 -5.259 4.493 1.00 0.00 ATOM 547 CB ALA 74 9.168 -3.842 4.560 1.00 0.00 ATOM 548 O ALA 74 8.494 -5.442 6.868 1.00 0.00 ATOM 549 C ALA 74 7.885 -5.507 5.811 1.00 0.00 ATOM 550 N ARG 75 6.580 -5.766 5.753 1.00 0.00 ATOM 551 CA ARG 75 5.795 -6.081 6.957 1.00 0.00 ATOM 552 CB ARG 75 4.357 -5.584 6.805 1.00 0.00 ATOM 553 CG ARG 75 4.234 -4.080 6.617 1.00 0.00 ATOM 554 CD ARG 75 4.804 -3.328 7.809 1.00 0.00 ATOM 555 NE ARG 75 4.025 -3.556 9.024 1.00 0.00 ATOM 556 CZ ARG 75 4.435 -3.236 10.246 1.00 0.00 ATOM 557 NH1 ARG 75 3.658 -3.481 11.292 1.00 0.00 ATOM 558 NH2 ARG 75 5.622 -2.669 10.420 1.00 0.00 ATOM 559 O ARG 75 5.129 -8.315 6.352 1.00 0.00 ATOM 560 C ARG 75 5.895 -7.608 7.003 1.00 0.00 ATOM 561 N GLU 76 6.842 -8.119 7.783 1.00 0.00 ATOM 562 CA GLU 76 7.104 -9.548 7.801 1.00 0.00 ATOM 563 CB GLU 76 8.457 -9.836 8.456 1.00 0.00 ATOM 564 CG GLU 76 9.649 -9.313 7.671 1.00 0.00 ATOM 565 CD GLU 76 10.970 -9.598 8.359 1.00 0.00 ATOM 566 OE1 GLU 76 10.956 -10.247 9.425 1.00 0.00 ATOM 567 OE2 GLU 76 12.019 -9.171 7.832 1.00 0.00 ATOM 568 O GLU 76 6.140 -11.657 8.296 1.00 0.00 ATOM 569 C GLU 76 6.143 -10.448 8.535 1.00 0.00 ATOM 570 N ASP 77 5.326 -9.880 9.410 1.00 0.00 ATOM 571 CA ASP 77 4.405 -10.691 10.200 1.00 0.00 ATOM 572 CB ASP 77 4.708 -10.547 11.693 1.00 0.00 ATOM 573 CG ASP 77 6.114 -10.991 12.047 1.00 0.00 ATOM 574 OD1 ASP 77 6.462 -12.152 11.751 1.00 0.00 ATOM 575 OD2 ASP 77 6.865 -10.177 12.624 1.00 0.00 ATOM 576 O ASP 77 2.103 -11.265 10.026 1.00 0.00 ATOM 577 C ASP 77 2.941 -10.362 10.051 1.00 0.00 ATOM 578 N GLU 78 2.631 -9.073 9.986 1.00 0.00 ATOM 579 CA GLU 78 1.259 -8.614 9.863 1.00 0.00 ATOM 580 CB GLU 78 0.610 -8.489 11.243 1.00 0.00 ATOM 581 CG GLU 78 1.259 -7.451 12.143 1.00 0.00 ATOM 582 CD GLU 78 0.658 -7.428 13.534 1.00 0.00 ATOM 583 OE1 GLU 78 -0.281 -8.212 13.788 1.00 0.00 ATOM 584 OE2 GLU 78 1.123 -6.624 14.369 1.00 0.00 ATOM 585 O GLU 78 2.149 -6.467 9.263 1.00 0.00 ATOM 586 C GLU 78 1.203 -7.260 9.188 1.00 0.00 ATOM 587 N ALA 79 0.102 -6.995 8.501 1.00 0.00 ATOM 588 CA ALA 79 -0.051 -5.700 7.865 1.00 0.00 ATOM 589 CB ALA 79 0.292 -5.792 6.386 1.00 0.00 ATOM 590 O ALA 79 -2.431 -6.022 7.871 1.00 0.00 ATOM 591 C ALA 79 -1.489 -5.234 8.014 1.00 0.00 ATOM 592 N ARG 80 -1.642 -3.959 8.355 1.00 0.00 ATOM 593 CA ARG 80 -2.953 -3.341 8.543 1.00 0.00 ATOM 594 CB ARG 80 -2.956 -2.463 9.796 1.00 0.00 ATOM 595 CG ARG 80 -2.749 -3.228 11.092 1.00 0.00 ATOM 596 CD ARG 80 -2.587 -2.285 12.271 1.00 0.00 ATOM 597 NE ARG 80 -2.343 -3.004 13.519 1.00 0.00 ATOM 598 CZ ARG 80 -2.200 -2.419 14.705 1.00 0.00 ATOM 599 NH1 ARG 80 -1.980 -3.155 15.785 1.00 0.00 ATOM 600 NH2 ARG 80 -2.278 -1.099 14.805 1.00 0.00 ATOM 601 O ARG 80 -2.494 -1.562 7.003 1.00 0.00 ATOM 602 C ARG 80 -3.240 -2.493 7.317 1.00 0.00 ATOM 603 N LEU 81 -4.320 -2.811 6.617 1.00 0.00 ATOM 604 CA LEU 81 -4.685 -2.072 5.417 1.00 0.00 ATOM 605 CB LEU 81 -4.833 -3.022 4.228 1.00 0.00 ATOM 606 CG LEU 81 -3.588 -3.823 3.840 1.00 0.00 ATOM 607 CD1 LEU 81 -3.910 -4.816 2.735 1.00 0.00 ATOM 608 CD2 LEU 81 -2.487 -2.899 3.345 1.00 0.00 ATOM 609 O LEU 81 -7.024 -1.970 5.895 1.00 0.00 ATOM 610 C LEU 81 -6.002 -1.343 5.610 1.00 0.00 ATOM 611 N LEU 82 -5.978 -0.023 5.488 1.00 0.00 ATOM 612 CA LEU 82 -7.221 0.751 5.585 1.00 0.00 ATOM 613 CB LEU 82 -6.956 2.110 6.235 1.00 0.00 ATOM 614 CG LEU 82 -8.161 3.040 6.376 1.00 0.00 ATOM 615 CD1 LEU 82 -9.194 2.442 7.319 1.00 0.00 ATOM 616 CD2 LEU 82 -7.737 4.391 6.932 1.00 0.00 ATOM 617 O LEU 82 -6.926 1.421 3.305 1.00 0.00 ATOM 618 C LEU 82 -7.665 0.887 4.135 1.00 0.00 ATOM 619 N VAL 83 -8.860 0.389 3.821 1.00 0.00 ATOM 620 CA VAL 83 -9.351 0.399 2.455 1.00 0.00 ATOM 621 CB VAL 83 -9.424 -1.024 1.871 1.00 0.00 ATOM 622 CG1 VAL 83 -8.038 -1.651 1.820 1.00 0.00 ATOM 623 CG2 VAL 83 -10.320 -1.907 2.727 1.00 0.00 ATOM 624 O VAL 83 -11.475 1.110 3.298 1.00 0.00 ATOM 625 C VAL 83 -10.741 0.985 2.315 1.00 0.00 ATOM 626 N VAL 84 -11.080 1.347 1.086 1.00 0.00 ATOM 627 CA VAL 84 -12.422 1.817 0.783 1.00 0.00 ATOM 628 CB VAL 84 -12.403 3.243 0.204 1.00 0.00 ATOM 629 CG1 VAL 84 -13.814 3.697 -0.139 1.00 0.00 ATOM 630 CG2 VAL 84 -11.814 4.221 1.209 1.00 0.00 ATOM 631 O VAL 84 -12.293 0.581 -1.278 1.00 0.00 ATOM 632 C VAL 84 -12.920 0.799 -0.234 1.00 0.00 ATOM 633 N GLY 85 -14.032 0.158 0.103 1.00 0.00 ATOM 634 CA GLY 85 -14.606 -0.870 -0.753 1.00 0.00 ATOM 635 O GLY 85 -15.615 0.849 -2.072 1.00 0.00 ATOM 636 C GLY 85 -15.191 -0.305 -2.020 1.00 0.00 ATOM 637 N PRO 86 -15.198 -1.117 -3.084 1.00 0.00 ATOM 638 CA PRO 86 -15.740 -0.679 -4.361 1.00 0.00 ATOM 639 CB PRO 86 -15.395 -1.820 -5.320 1.00 0.00 ATOM 640 CG PRO 86 -15.272 -3.020 -4.443 1.00 0.00 ATOM 641 CD PRO 86 -14.725 -2.527 -3.133 1.00 0.00 ATOM 642 O PRO 86 -17.944 -1.169 -3.545 1.00 0.00 ATOM 643 C PRO 86 -17.241 -0.465 -4.269 1.00 0.00 ATOM 644 N SER 87 -17.709 0.531 -4.996 1.00 0.00 ATOM 645 CA SER 87 -19.131 0.820 -5.048 1.00 0.00 ATOM 646 CB SER 87 -19.455 2.067 -4.224 1.00 0.00 ATOM 647 OG SER 87 -19.239 1.837 -2.844 1.00 0.00 ATOM 648 O SER 87 -18.515 1.300 -7.313 1.00 0.00 ATOM 649 C SER 87 -19.425 1.038 -6.519 1.00 0.00 ATOM 650 N THR 88 -23.833 0.099 -11.306 1.00 0.00 ATOM 651 CA THR 88 -23.910 -0.750 -12.483 1.00 0.00 ATOM 652 CB THR 88 -22.630 -0.655 -13.334 1.00 0.00 ATOM 653 CG2 THR 88 -22.752 -1.519 -14.579 1.00 0.00 ATOM 654 OG1 THR 88 -22.417 0.706 -13.731 1.00 0.00 ATOM 655 O THR 88 -23.181 -2.842 -11.545 1.00 0.00 ATOM 656 C THR 88 -24.098 -2.217 -12.080 1.00 0.00 ATOM 657 N ARG 89 -25.289 -2.753 -12.329 1.00 0.00 ATOM 658 CA ARG 89 -25.596 -4.149 -12.014 1.00 0.00 ATOM 659 CB ARG 89 -26.926 -4.249 -11.266 1.00 0.00 ATOM 660 CG ARG 89 -26.931 -3.554 -9.914 1.00 0.00 ATOM 661 CD ARG 89 -28.316 -3.581 -9.285 1.00 0.00 ATOM 662 NE ARG 89 -28.331 -2.942 -7.971 1.00 0.00 ATOM 663 CZ ARG 89 -29.434 -2.720 -7.261 1.00 0.00 ATOM 664 NH1 ARG 89 -29.351 -2.133 -6.075 1.00 0.00 ATOM 665 NH2 ARG 89 -30.613 -3.089 -7.739 1.00 0.00 ATOM 666 O ARG 89 -26.558 -4.691 -14.161 1.00 0.00 ATOM 667 C ARG 89 -25.693 -4.954 -13.325 1.00 0.00 TER END