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 3 Thu Jul 13 14:40:14 2006 MODEL 3 PARENT 1g9o_A 1tp5_A 2fe5_A 2fne_A 2fcf_A REMARK 7 REMARK 7 ALLPARENTS 1g9o_A 1tp5_A 2fe5_A 2fne_A 2fcf_A 1qav_A 1n7e_A REMARK 7 ALLPARENTS 1q3o_A 2f5y_A 1ihj_A 1wf7_A 1n7f_A 1mfg_A 1qau_A REMARK 7 ALLPARENTS 1kwa_A 2f0a_A 1nf3_C 1r6j_A ATOM 1 N SER 1 -15.339 6.407 -2.068 1.00 0.00 ATOM 2 CA SER 1 -15.859 7.663 -1.455 1.00 0.00 ATOM 3 CB SER 1 -16.004 8.757 -2.515 1.00 0.00 ATOM 4 OG SER 1 -14.737 9.153 -3.014 1.00 0.00 ATOM 5 O SER 1 -17.479 7.913 0.298 1.00 0.00 ATOM 6 C SER 1 -17.238 7.467 -0.823 1.00 0.00 ATOM 7 N MET 2 -18.165 6.823 -1.539 1.00 0.00 ATOM 8 CA MET 2 -19.511 6.583 -1.035 1.00 0.00 ATOM 9 CB MET 2 -20.093 5.517 -2.310 1.00 0.00 ATOM 10 CG MET 2 -21.526 5.532 -2.758 1.00 0.00 ATOM 11 SD MET 2 -22.561 4.573 -1.598 1.00 0.00 ATOM 12 CE MET 2 -22.213 2.833 -2.164 1.00 0.00 ATOM 13 O MET 2 -20.434 5.830 1.016 1.00 0.00 ATOM 14 C MET 2 -19.493 5.748 0.235 1.00 0.00 ATOM 15 N LEU 3 -18.453 4.918 0.422 1.00 0.00 ATOM 16 CA LEU 3 -18.423 4.023 1.578 1.00 0.00 ATOM 17 CB LEU 3 -18.250 2.567 1.094 1.00 0.00 ATOM 18 CG LEU 3 -19.377 1.911 0.296 1.00 0.00 ATOM 19 CD1 LEU 3 -18.867 0.617 -0.314 1.00 0.00 ATOM 20 CD2 LEU 3 -20.570 1.639 1.202 1.00 0.00 ATOM 21 O LEU 3 -16.243 4.895 2.140 1.00 0.00 ATOM 22 C LEU 3 -17.314 4.411 2.521 1.00 0.00 ATOM 23 N ARG 4 -17.532 4.148 3.798 1.00 0.00 ATOM 24 CA ARG 4 -16.569 4.472 4.836 1.00 0.00 ATOM 25 CB ARG 4 -17.213 4.367 6.243 1.00 0.00 ATOM 26 CG ARG 4 -17.310 2.929 6.759 1.00 0.00 ATOM 27 CD ARG 4 -18.735 2.391 6.676 1.00 0.00 ATOM 28 NE ARG 4 -18.854 1.030 7.206 1.00 0.00 ATOM 29 CZ ARG 4 -19.946 0.271 7.100 1.00 0.00 ATOM 30 NH1 ARG 4 -21.035 0.731 6.485 1.00 0.00 ATOM 31 NH2 ARG 4 -19.949 -0.966 7.593 1.00 0.00 ATOM 32 O ARG 4 -15.368 2.449 4.332 1.00 0.00 ATOM 33 C ARG 4 -15.310 3.592 4.779 1.00 0.00 ATOM 34 N PRO 5 -14.180 4.102 5.246 1.00 0.00 ATOM 35 CA PRO 5 -12.964 3.281 5.284 1.00 0.00 ATOM 36 CB PRO 5 -11.978 4.221 5.970 1.00 0.00 ATOM 37 CG PRO 5 -12.374 5.571 5.429 1.00 0.00 ATOM 38 CD PRO 5 -13.856 5.509 5.651 1.00 0.00 ATOM 39 O PRO 5 -13.864 2.215 7.218 1.00 0.00 ATOM 40 C PRO 5 -13.121 2.128 6.233 1.00 0.00 ATOM 41 N ARG 6 -12.443 1.014 5.925 1.00 0.00 ATOM 42 CA ARG 6 -12.477 -0.194 6.733 1.00 0.00 ATOM 43 CB ARG 6 -13.483 -1.197 6.140 1.00 0.00 ATOM 44 CG ARG 6 -14.906 -0.668 5.993 1.00 0.00 ATOM 45 CD ARG 6 -15.895 -1.821 5.998 1.00 0.00 ATOM 46 NE ARG 6 -17.199 -1.472 5.461 1.00 0.00 ATOM 47 CZ ARG 6 -17.854 -2.236 4.591 1.00 0.00 ATOM 48 NH1 ARG 6 -17.299 -3.373 4.176 1.00 0.00 ATOM 49 NH2 ARG 6 -19.045 -1.863 4.141 1.00 0.00 ATOM 50 O ARG 6 -10.247 -0.695 6.062 1.00 0.00 ATOM 51 C ARG 6 -11.066 -0.709 6.973 1.00 0.00 ATOM 52 N LEU 7 -10.789 -1.172 8.187 1.00 0.00 ATOM 53 CA LEU 7 -9.463 -1.703 8.506 1.00 0.00 ATOM 54 CB LEU 7 -9.070 -1.335 9.938 1.00 0.00 ATOM 55 CG LEU 7 -8.975 0.161 10.253 1.00 0.00 ATOM 56 CD1 LEU 7 -8.652 0.381 11.722 1.00 0.00 ATOM 57 CD2 LEU 7 -7.880 0.814 9.422 1.00 0.00 ATOM 58 O LEU 7 -10.142 -3.918 9.117 1.00 0.00 ATOM 59 C LEU 7 -9.400 -3.220 8.424 1.00 0.00 ATOM 60 N CYS 8 -8.484 -3.725 7.600 1.00 0.00 ATOM 61 CA CYS 8 -8.272 -5.162 7.431 1.00 0.00 ATOM 62 CB CYS 8 -8.300 -5.509 5.942 1.00 0.00 ATOM 63 SG CYS 8 -9.857 -5.116 5.110 1.00 0.00 ATOM 64 O CYS 8 -5.893 -4.968 7.610 1.00 0.00 ATOM 65 C CYS 8 -6.915 -5.525 8.017 1.00 0.00 ATOM 66 N HIS 9 -6.899 -6.430 8.986 1.00 0.00 ATOM 67 CA HIS 9 -5.651 -6.827 9.627 1.00 0.00 ATOM 68 CB HIS 9 -5.825 -6.836 11.148 1.00 0.00 ATOM 69 CG HIS 9 -6.238 -5.514 11.716 1.00 0.00 ATOM 70 CD2 HIS 9 -7.473 -4.953 12.245 1.00 0.00 ATOM 71 ND1 HIS 9 -5.367 -4.455 11.848 1.00 0.00 ATOM 72 CE1 HIS 9 -6.025 -3.412 12.386 1.00 0.00 ATOM 73 NE2 HIS 9 -7.289 -3.704 12.627 1.00 0.00 ATOM 74 O HIS 9 -5.950 -9.184 9.401 1.00 0.00 ATOM 75 C HIS 9 -5.261 -8.205 9.115 1.00 0.00 ATOM 76 N LEU 10 -4.164 -8.274 8.381 1.00 0.00 ATOM 77 CA LEU 10 -3.720 -9.537 7.793 1.00 0.00 ATOM 78 CB LEU 10 -3.272 -9.353 6.341 1.00 0.00 ATOM 79 CG LEU 10 -4.380 -9.361 5.285 1.00 0.00 ATOM 80 CD1 LEU 10 -5.399 -8.270 5.564 1.00 0.00 ATOM 81 CD2 LEU 10 -3.799 -9.128 3.898 1.00 0.00 ATOM 82 O LEU 10 -1.465 -9.489 8.690 1.00 0.00 ATOM 83 C LEU 10 -2.511 -10.144 8.503 1.00 0.00 ATOM 84 N ARG 11 -2.575 -11.445 8.800 1.00 0.00 ATOM 85 CA ARG 11 -1.475 -12.202 9.347 1.00 0.00 ATOM 86 CB ARG 11 -2.074 -13.392 10.022 1.00 0.00 ATOM 87 CG ARG 11 -2.670 -12.929 11.370 1.00 0.00 ATOM 88 CD ARG 11 -3.077 -14.082 12.308 1.00 0.00 ATOM 89 NE ARG 11 -1.912 -15.247 11.930 1.00 0.00 ATOM 90 CZ ARG 11 -1.236 -15.610 13.036 1.00 0.00 ATOM 91 NH1 ARG 11 -1.601 -15.148 14.220 1.00 0.00 ATOM 92 NH2 ARG 11 -0.189 -16.431 12.929 1.00 0.00 ATOM 93 O ARG 11 -1.393 -13.659 7.457 1.00 0.00 ATOM 94 C ARG 11 -0.769 -12.888 8.182 1.00 0.00 ATOM 95 N LYS 12 0.526 -12.629 7.997 1.00 0.00 ATOM 96 CA LYS 12 1.222 -13.226 6.855 1.00 0.00 ATOM 97 CB LYS 12 2.680 -12.764 6.813 1.00 0.00 ATOM 98 CG LYS 12 3.464 -13.293 5.624 1.00 0.00 ATOM 99 CD LYS 12 4.881 -12.744 5.608 1.00 0.00 ATOM 100 CE LYS 12 5.657 -13.251 4.405 1.00 0.00 ATOM 101 NZ LYS 12 7.056 -12.742 4.390 1.00 0.00 ATOM 102 O LYS 12 1.561 -15.327 7.980 1.00 0.00 ATOM 103 C LYS 12 1.241 -14.747 6.934 1.00 0.00 ATOM 104 N GLY 13 0.948 -15.377 5.800 1.00 0.00 ATOM 105 CA GLY 13 0.875 -16.826 5.723 1.00 0.00 ATOM 106 O GLY 13 3.011 -16.887 4.659 1.00 0.00 ATOM 107 C GLY 13 2.037 -17.531 5.049 1.00 0.00 ATOM 108 N PRO 14 1.927 -18.858 4.846 1.00 0.00 ATOM 109 CA PRO 14 2.985 -19.651 4.219 1.00 0.00 ATOM 110 CB PRO 14 2.326 -21.007 3.956 1.00 0.00 ATOM 111 CG PRO 14 1.278 -21.123 5.012 1.00 0.00 ATOM 112 CD PRO 14 0.698 -19.747 5.177 1.00 0.00 ATOM 113 O PRO 14 4.772 -19.203 2.712 1.00 0.00 ATOM 114 C PRO 14 3.560 -19.118 2.922 1.00 0.00 ATOM 115 N GLN 15 2.729 -18.501 2.088 1.00 0.00 ATOM 116 CA GLN 15 3.210 -17.961 0.825 1.00 0.00 ATOM 117 CB GLN 15 2.256 -18.895 -0.295 1.00 0.00 ATOM 118 CG GLN 15 1.696 -20.224 0.163 1.00 0.00 ATOM 119 CD GLN 15 2.656 -21.378 -0.068 1.00 0.00 ATOM 120 OE1 GLN 15 3.758 -21.424 0.507 1.00 0.00 ATOM 121 NE2 GLN 15 2.242 -22.326 -0.911 1.00 0.00 ATOM 122 O GLN 15 3.389 -15.845 -0.292 1.00 0.00 ATOM 123 C GLN 15 3.129 -16.432 0.759 1.00 0.00 ATOM 124 N GLY 16 2.766 -15.793 1.828 1.00 0.00 ATOM 125 CA GLY 16 2.661 -14.344 1.825 1.00 0.00 ATOM 126 O GLY 16 0.711 -14.436 3.208 1.00 0.00 ATOM 127 C GLY 16 1.290 -13.871 2.279 1.00 0.00 ATOM 128 N TYR 17 0.864 -12.732 1.749 1.00 0.00 ATOM 129 CA TYR 17 -0.442 -12.168 2.091 1.00 0.00 ATOM 130 CB TYR 17 -0.371 -10.644 2.192 1.00 0.00 ATOM 131 CG TYR 17 0.409 -10.181 3.394 1.00 0.00 ATOM 132 CD1 TYR 17 -0.037 -10.462 4.682 1.00 0.00 ATOM 133 CD2 TYR 17 1.588 -9.467 3.240 1.00 0.00 ATOM 134 CE1 TYR 17 0.673 -10.037 5.798 1.00 0.00 ATOM 135 CE2 TYR 17 2.314 -9.034 4.356 1.00 0.00 ATOM 136 CZ TYR 17 1.843 -9.329 5.624 1.00 0.00 ATOM 137 OH TYR 17 2.531 -8.927 6.747 1.00 0.00 ATOM 138 O TYR 17 -2.618 -12.916 1.447 1.00 0.00 ATOM 139 C TYR 17 -1.482 -12.644 1.084 1.00 0.00 ATOM 140 N GLY 18 -1.075 -12.824 -0.159 1.00 0.00 ATOM 141 CA GLY 18 -2.007 -13.362 -1.128 1.00 0.00 ATOM 142 O GLY 18 -4.112 -12.711 -2.009 1.00 0.00 ATOM 143 C GLY 18 -2.931 -12.401 -1.831 1.00 0.00 ATOM 144 N PHE 19 -2.452 -11.215 -2.174 1.00 0.00 ATOM 145 CA PHE 19 -3.283 -10.315 -2.950 1.00 0.00 ATOM 146 CB PHE 19 -3.980 -9.283 -2.061 1.00 0.00 ATOM 147 CG PHE 19 -3.035 -8.346 -1.364 1.00 0.00 ATOM 148 CD1 PHE 19 -2.690 -7.134 -1.937 1.00 0.00 ATOM 149 CD2 PHE 19 -2.488 -8.677 -0.136 1.00 0.00 ATOM 150 CE1 PHE 19 -1.821 -6.273 -1.296 1.00 0.00 ATOM 151 CE2 PHE 19 -1.619 -7.816 0.505 1.00 0.00 ATOM 152 CZ PHE 19 -1.284 -6.618 -0.070 1.00 0.00 ATOM 153 O PHE 19 -1.154 -9.699 -3.856 1.00 0.00 ATOM 154 C PHE 19 -2.386 -9.586 -3.931 1.00 0.00 ATOM 155 N ASN 20 -3.005 -8.888 -4.877 1.00 0.00 ATOM 156 CA ASN 20 -2.302 -8.173 -5.927 1.00 0.00 ATOM 157 CB ASN 20 -2.531 -8.863 -7.274 1.00 0.00 ATOM 158 CG ASN 20 -2.026 -10.293 -7.289 1.00 0.00 ATOM 159 ND2 ASN 20 -2.949 -11.246 -7.287 1.00 0.00 ATOM 160 OD1 ASN 20 -0.819 -10.534 -7.303 1.00 0.00 ATOM 161 O ASN 20 -4.010 -6.525 -6.186 1.00 0.00 ATOM 162 C ASN 20 -2.794 -6.756 -6.141 1.00 0.00 ATOM 163 N LEU 21 -1.839 -5.831 -6.281 1.00 0.00 ATOM 164 CA LEU 21 -2.144 -4.422 -6.487 1.00 0.00 ATOM 165 CB LEU 21 -1.286 -3.597 -5.527 1.00 0.00 ATOM 166 CG LEU 21 -1.448 -3.906 -4.037 1.00 0.00 ATOM 167 CD1 LEU 21 -0.454 -3.105 -3.210 1.00 0.00 ATOM 168 CD2 LEU 21 -2.850 -3.554 -3.563 1.00 0.00 ATOM 169 O LEU 21 -0.845 -4.267 -8.501 1.00 0.00 ATOM 170 C LEU 21 -1.806 -3.851 -7.852 1.00 0.00 ATOM 171 N HIS 22 -2.650 -2.877 -8.249 1.00 0.00 ATOM 172 CA HIS 22 -2.430 -2.162 -9.495 1.00 0.00 ATOM 173 CB HIS 22 -3.021 -2.976 -10.649 1.00 0.00 ATOM 174 CG HIS 22 -2.642 -2.464 -12.004 1.00 0.00 ATOM 175 CD2 HIS 22 -1.575 -2.736 -12.955 1.00 0.00 ATOM 176 ND1 HIS 22 -3.369 -1.498 -12.665 1.00 0.00 ATOM 177 CE1 HIS 22 -2.787 -1.248 -13.852 1.00 0.00 ATOM 178 NE2 HIS 22 -1.710 -1.988 -14.032 1.00 0.00 ATOM 179 O HIS 22 -4.043 -0.653 -8.591 1.00 0.00 ATOM 180 C HIS 22 -3.148 -0.833 -9.414 1.00 0.00 ATOM 181 N SER 23 -2.784 0.084 -10.300 1.00 0.00 ATOM 182 CA SER 23 -3.433 1.380 -10.304 1.00 0.00 ATOM 183 CB SER 23 -2.533 2.418 -10.978 1.00 0.00 ATOM 184 OG SER 23 -2.434 2.179 -12.372 1.00 0.00 ATOM 185 O SER 23 -5.130 0.192 -11.494 1.00 0.00 ATOM 186 C SER 23 -4.748 1.276 -11.053 1.00 0.00 ATOM 187 N ASP 24 -5.479 2.379 -11.143 1.00 0.00 ATOM 188 CA ASP 24 -6.737 2.373 -11.870 1.00 0.00 ATOM 189 CB ASP 24 -7.919 2.482 -10.905 1.00 0.00 ATOM 190 CG ASP 24 -9.234 2.089 -11.549 1.00 0.00 ATOM 191 OD1 ASP 24 -9.208 1.574 -12.686 1.00 0.00 ATOM 192 OD2 ASP 24 -10.290 2.295 -10.916 1.00 0.00 ATOM 193 O ASP 24 -6.139 4.579 -12.584 1.00 0.00 ATOM 194 C ASP 24 -6.772 3.547 -12.824 1.00 0.00 ATOM 195 N LYS 25 -7.513 3.371 -13.912 1.00 0.00 ATOM 196 CA LYS 25 -7.643 4.393 -14.939 1.00 0.00 ATOM 197 CB LYS 25 -8.631 3.934 -16.006 1.00 0.00 ATOM 198 CG LYS 25 -8.701 4.845 -17.222 1.00 0.00 ATOM 199 CD LYS 25 -9.476 4.178 -18.353 1.00 0.00 ATOM 200 CE LYS 25 -9.523 5.054 -19.602 1.00 0.00 ATOM 201 NZ LYS 25 -10.286 6.317 -19.385 1.00 0.00 ATOM 202 O LYS 25 -9.203 5.653 -13.620 1.00 0.00 ATOM 203 C LYS 25 -8.201 5.679 -14.342 1.00 0.00 ATOM 204 N SER 26 -7.509 6.786 -14.595 1.00 0.00 ATOM 205 CA SER 26 -7.935 8.078 -14.088 1.00 0.00 ATOM 206 CB SER 26 -9.387 8.369 -14.535 1.00 0.00 ATOM 207 OG SER 26 -9.490 8.628 -15.925 1.00 0.00 ATOM 208 O SER 26 -8.739 8.927 -11.971 1.00 0.00 ATOM 209 C SER 26 -7.952 8.184 -12.551 1.00 0.00 ATOM 210 N ARG 27 -6.878 7.470 -11.888 1.00 0.00 ATOM 211 CA ARG 27 -6.678 7.540 -10.440 1.00 0.00 ATOM 212 CB ARG 27 -7.570 6.469 -9.751 1.00 0.00 ATOM 213 CG ARG 27 -9.069 6.657 -9.948 1.00 0.00 ATOM 214 CD ARG 27 -9.839 5.492 -9.348 1.00 0.00 ATOM 215 NE ARG 27 -11.279 5.604 -9.544 1.00 0.00 ATOM 216 CZ ARG 27 -12.166 4.725 -9.085 1.00 0.00 ATOM 217 NH1 ARG 27 -11.768 3.661 -8.395 1.00 0.00 ATOM 218 NH2 ARG 27 -13.462 4.905 -9.314 1.00 0.00 ATOM 219 O ARG 27 -4.335 7.066 -10.746 1.00 0.00 ATOM 220 C ARG 27 -5.208 7.558 -10.024 1.00 0.00 ATOM 221 N PRO 28 -4.945 8.121 -8.847 1.00 0.00 ATOM 222 CA PRO 28 -3.586 8.239 -8.321 1.00 0.00 ATOM 223 CB PRO 28 -3.648 9.460 -7.402 1.00 0.00 ATOM 224 CG PRO 28 -5.070 9.518 -6.951 1.00 0.00 ATOM 225 CD PRO 28 -5.893 9.030 -8.111 1.00 0.00 ATOM 226 O PRO 28 -1.816 6.921 -7.382 1.00 0.00 ATOM 227 C PRO 28 -3.037 7.106 -7.458 1.00 0.00 ATOM 228 N GLY 29 -3.926 6.367 -6.801 1.00 0.00 ATOM 229 CA GLY 29 -3.478 5.317 -5.900 1.00 0.00 ATOM 230 O GLY 29 -3.705 3.578 -7.565 1.00 0.00 ATOM 231 C GLY 29 -3.502 3.881 -6.385 1.00 0.00 ATOM 232 N GLN 30 -3.265 2.987 -5.430 1.00 0.00 ATOM 233 CA GLN 30 -3.232 1.558 -5.696 1.00 0.00 ATOM 234 CB GLN 30 -2.068 0.904 -4.947 1.00 0.00 ATOM 235 CG GLN 30 -0.701 1.443 -5.335 1.00 0.00 ATOM 236 CD GLN 30 -0.363 1.183 -6.789 1.00 0.00 ATOM 237 OE1 GLN 30 -0.426 0.048 -7.258 1.00 0.00 ATOM 238 NE2 GLN 30 -0.000 2.240 -7.509 1.00 0.00 ATOM 239 O GLN 30 -5.081 1.205 -4.214 1.00 0.00 ATOM 240 C GLN 30 -4.513 0.869 -5.249 1.00 0.00 ATOM 241 N TYR 31 -4.939 -0.113 -6.045 1.00 0.00 ATOM 242 CA TYR 31 -6.159 -0.873 -5.798 1.00 0.00 ATOM 243 CB TYR 31 -7.205 -0.567 -6.872 1.00 0.00 ATOM 244 CG TYR 31 -7.640 0.880 -6.907 1.00 0.00 ATOM 245 CD1 TYR 31 -6.966 1.806 -7.698 1.00 0.00 ATOM 246 CD2 TYR 31 -8.720 1.318 -6.154 1.00 0.00 ATOM 247 CE1 TYR 31 -7.357 3.131 -7.737 1.00 0.00 ATOM 248 CE2 TYR 31 -9.125 2.640 -6.181 1.00 0.00 ATOM 249 CZ TYR 31 -8.432 3.546 -6.983 1.00 0.00 ATOM 250 OH TYR 31 -8.823 4.866 -7.021 1.00 0.00 ATOM 251 O TYR 31 -4.891 -2.803 -6.440 1.00 0.00 ATOM 252 C TYR 31 -5.870 -2.358 -5.830 1.00 0.00 ATOM 253 N ILE 32 -6.721 -3.135 -5.177 1.00 0.00 ATOM 254 CA ILE 32 -6.541 -4.583 -5.158 1.00 0.00 ATOM 255 CB ILE 32 -7.312 -5.229 -3.992 1.00 0.00 ATOM 256 CG1 ILE 32 -6.791 -4.704 -2.653 1.00 0.00 ATOM 257 CG2 ILE 32 -7.144 -6.740 -4.015 1.00 0.00 ATOM 258 CD1 ILE 32 -7.642 -5.106 -1.467 1.00 0.00 ATOM 259 O ILE 32 -8.222 -5.100 -6.797 1.00 0.00 ATOM 260 C ILE 32 -7.042 -5.178 -6.464 1.00 0.00 ATOM 261 N ARG 33 -6.120 -5.750 -7.222 1.00 0.00 ATOM 262 CA ARG 33 -6.453 -6.357 -8.505 1.00 0.00 ATOM 263 CB ARG 33 -5.195 -6.539 -9.357 1.00 0.00 ATOM 264 CG ARG 33 -5.463 -7.072 -10.755 1.00 0.00 ATOM 265 CD ARG 33 -4.191 -7.112 -11.584 1.00 0.00 ATOM 266 NE ARG 33 -4.437 -7.588 -12.943 1.00 0.00 ATOM 267 CZ ARG 33 -3.490 -7.753 -13.860 1.00 0.00 ATOM 268 NH1 ARG 33 -3.809 -8.191 -15.070 1.00 0.00 ATOM 269 NH2 ARG 33 -2.227 -7.481 -13.565 1.00 0.00 ATOM 270 O ARG 33 -8.037 -8.077 -9.073 1.00 0.00 ATOM 271 C ARG 33 -7.107 -7.731 -8.339 1.00 0.00 ATOM 272 N SER 34 -6.623 -8.509 -7.375 1.00 0.00 ATOM 273 CA SER 34 -7.114 -9.856 -7.145 1.00 0.00 ATOM 274 CB SER 34 -6.539 -10.799 -8.204 1.00 0.00 ATOM 275 OG SER 34 -7.021 -12.126 -8.050 1.00 0.00 ATOM 276 O SER 34 -5.660 -9.904 -5.243 1.00 0.00 ATOM 277 C SER 34 -6.722 -10.291 -5.745 1.00 0.00 ATOM 278 N VAL 35 -7.600 -11.063 -5.108 1.00 0.00 ATOM 279 CA VAL 35 -7.334 -11.627 -3.789 1.00 0.00 ATOM 280 CB VAL 35 -8.441 -11.289 -2.774 1.00 0.00 ATOM 281 CG1 VAL 35 -8.152 -11.943 -1.432 1.00 0.00 ATOM 282 CG2 VAL 35 -8.534 -9.784 -2.567 1.00 0.00 ATOM 283 O VAL 35 -8.155 -13.727 -4.657 1.00 0.00 ATOM 284 C VAL 35 -7.256 -13.137 -4.053 1.00 0.00 ATOM 285 N ASP 36 -6.178 -13.775 -3.626 1.00 0.00 ATOM 286 CA ASP 36 -6.047 -15.206 -3.867 1.00 0.00 ATOM 287 CB ASP 36 -4.587 -15.647 -3.738 1.00 0.00 ATOM 288 CG ASP 36 -3.705 -15.068 -4.826 1.00 0.00 ATOM 289 OD1 ASP 36 -4.108 -15.121 -6.008 1.00 0.00 ATOM 290 OD2 ASP 36 -2.613 -14.559 -4.498 1.00 0.00 ATOM 291 O ASP 36 -6.883 -15.696 -1.670 1.00 0.00 ATOM 292 C ASP 36 -6.874 -15.995 -2.865 1.00 0.00 ATOM 293 N PRO 37 -7.618 -17.002 -3.347 1.00 0.00 ATOM 294 CA PRO 37 -8.438 -17.821 -2.455 1.00 0.00 ATOM 295 CB PRO 37 -9.063 -18.864 -3.383 1.00 0.00 ATOM 296 CG PRO 37 -9.078 -18.211 -4.724 1.00 0.00 ATOM 297 CD PRO 37 -7.814 -17.402 -4.808 1.00 0.00 ATOM 298 O PRO 37 -6.490 -18.958 -1.665 1.00 0.00 ATOM 299 C PRO 37 -7.585 -18.480 -1.378 1.00 0.00 ATOM 300 N GLY 38 -8.112 -18.496 -0.152 1.00 0.00 ATOM 301 CA GLY 38 -7.441 -19.092 0.990 1.00 0.00 ATOM 302 O GLY 38 -5.725 -18.692 2.606 1.00 0.00 ATOM 303 C GLY 38 -6.325 -18.275 1.616 1.00 0.00 ATOM 304 N SER 39 -6.073 -17.100 1.061 1.00 0.00 ATOM 305 CA SER 39 -4.988 -16.245 1.530 1.00 0.00 ATOM 306 CB SER 39 -4.623 -15.208 0.466 1.00 0.00 ATOM 307 OG SER 39 -5.681 -14.288 0.265 1.00 0.00 ATOM 308 O SER 39 -6.408 -15.322 3.211 1.00 0.00 ATOM 309 C SER 39 -5.269 -15.450 2.785 1.00 0.00 ATOM 310 N PRO 40 -4.206 -14.933 3.413 1.00 0.00 ATOM 311 CA PRO 40 -4.410 -14.119 4.613 1.00 0.00 ATOM 312 CB PRO 40 -2.992 -13.734 5.043 1.00 0.00 ATOM 313 CG PRO 40 -2.130 -14.827 4.506 1.00 0.00 ATOM 314 CD PRO 40 -2.724 -15.212 3.180 1.00 0.00 ATOM 315 O PRO 40 -6.084 -12.424 4.998 1.00 0.00 ATOM 316 C PRO 40 -5.277 -12.911 4.212 1.00 0.00 ATOM 317 N ALA 41 -5.102 -12.429 2.989 1.00 0.00 ATOM 318 CA ALA 41 -5.898 -11.306 2.499 1.00 0.00 ATOM 319 CB ALA 41 -5.490 -10.948 1.079 1.00 0.00 ATOM 320 O ALA 41 -8.200 -10.912 3.013 1.00 0.00 ATOM 321 C ALA 41 -7.373 -11.691 2.543 1.00 0.00 ATOM 322 N ALA 42 -7.699 -12.854 2.047 1.00 0.00 ATOM 323 CA ALA 42 -9.120 -13.270 2.059 1.00 0.00 ATOM 324 CB ALA 42 -9.294 -14.611 1.364 1.00 0.00 ATOM 325 O ALA 42 -10.706 -12.910 3.825 1.00 0.00 ATOM 326 C ALA 42 -9.626 -13.404 3.502 1.00 0.00 ATOM 327 N ARG 43 -8.813 -13.999 4.375 1.00 0.00 ATOM 328 CA ARG 43 -9.199 -14.195 5.776 1.00 0.00 ATOM 329 CB ARG 43 -8.091 -15.167 6.408 1.00 0.00 ATOM 330 CG ARG 43 -7.939 -16.551 5.785 1.00 0.00 ATOM 331 CD ARG 43 -8.971 -17.537 6.306 1.00 0.00 ATOM 332 NE ARG 43 -10.233 -17.431 5.631 1.00 0.00 ATOM 333 CZ ARG 43 -11.339 -18.082 5.937 1.00 0.00 ATOM 334 NH1 ARG 43 -11.363 -18.916 6.977 1.00 0.00 ATOM 335 NH2 ARG 43 -12.434 -17.982 5.188 1.00 0.00 ATOM 336 O ARG 43 -10.047 -12.880 7.554 1.00 0.00 ATOM 337 C ARG 43 -9.377 -12.888 6.541 1.00 0.00 ATOM 338 N SER 44 -8.733 -11.824 6.060 1.00 0.00 ATOM 339 CA SER 44 -8.873 -10.512 6.695 1.00 0.00 ATOM 340 CB SER 44 -7.569 -9.722 6.569 1.00 0.00 ATOM 341 OG SER 44 -6.513 -10.363 7.263 1.00 0.00 ATOM 342 O SER 44 -10.210 -8.544 6.487 1.00 0.00 ATOM 343 C SER 44 -9.982 -9.679 6.065 1.00 0.00 ATOM 344 N GLY 45 -10.644 -10.220 5.045 1.00 0.00 ATOM 345 CA GLY 45 -11.743 -9.504 4.415 1.00 0.00 ATOM 346 O GLY 45 -12.234 -7.712 2.914 1.00 0.00 ATOM 347 C GLY 45 -11.417 -8.563 3.277 1.00 0.00 ATOM 348 N LEU 46 -10.237 -8.701 2.687 1.00 0.00 ATOM 349 CA LEU 46 -9.894 -7.829 1.564 1.00 0.00 ATOM 350 CB LEU 46 -8.398 -7.917 1.252 1.00 0.00 ATOM 351 CG LEU 46 -7.447 -7.411 2.339 1.00 0.00 ATOM 352 CD1 LEU 46 -6.000 -7.668 1.949 1.00 0.00 ATOM 353 CD2 LEU 46 -7.623 -5.915 2.553 1.00 0.00 ATOM 354 O LEU 46 -10.992 -9.463 0.172 1.00 0.00 ATOM 355 C LEU 46 -10.708 -8.273 0.331 1.00 0.00 ATOM 356 N ARG 47 -11.043 -7.283 -0.517 1.00 0.00 ATOM 357 CA ARG 47 -11.804 -7.600 -1.735 1.00 0.00 ATOM 358 CB ARG 47 -13.293 -7.218 -1.543 1.00 0.00 ATOM 359 CG ARG 47 -13.957 -7.879 -0.364 1.00 0.00 ATOM 360 CD ARG 47 -15.447 -7.529 -0.295 1.00 0.00 ATOM 361 NE ARG 47 -16.182 -8.094 -1.428 1.00 0.00 ATOM 362 CZ ARG 47 -16.619 -9.332 -1.510 1.00 0.00 ATOM 363 NH1 ARG 47 -16.532 -10.169 -0.478 1.00 0.00 ATOM 364 NH2 ARG 47 -17.241 -9.713 -2.621 1.00 0.00 ATOM 365 O ARG 47 -10.699 -5.989 -3.021 1.00 0.00 ATOM 366 C ARG 47 -11.315 -7.016 -2.999 1.00 0.00 ATOM 367 N ALA 48 -11.511 -7.678 -4.141 1.00 0.00 ATOM 368 CA ALA 48 -11.015 -7.081 -5.408 1.00 0.00 ATOM 369 CB ALA 48 -11.162 -8.048 -6.523 1.00 0.00 ATOM 370 O ALA 48 -13.004 -5.713 -5.281 1.00 0.00 ATOM 371 C ALA 48 -11.797 -5.781 -5.586 1.00 0.00 ATOM 372 N GLN 49 -11.057 -4.666 -6.080 1.00 0.00 ATOM 373 CA GLN 49 -11.659 -3.355 -6.260 1.00 0.00 ATOM 374 CB GLN 49 -13.176 -3.407 -6.303 1.00 0.00 ATOM 375 CG GLN 49 -13.679 -4.281 -7.474 1.00 0.00 ATOM 376 CD GLN 49 -13.307 -3.799 -8.873 1.00 0.00 ATOM 377 OE1 GLN 49 -13.176 -4.629 -9.765 1.00 0.00 ATOM 378 NE2 GLN 49 -13.130 -2.523 -9.077 1.00 0.00 ATOM 379 O GLN 49 -11.706 -1.202 -5.224 1.00 0.00 ATOM 380 C GLN 49 -11.449 -2.403 -5.092 1.00 0.00 ATOM 381 N ASP 50 -10.983 -2.918 -3.954 1.00 0.00 ATOM 382 CA ASP 50 -10.724 -2.066 -2.785 1.00 0.00 ATOM 383 CB ASP 50 -10.249 -2.910 -1.601 1.00 0.00 ATOM 384 CG ASP 50 -11.369 -3.719 -0.976 1.00 0.00 ATOM 385 OD1 ASP 50 -12.543 -3.482 -1.330 1.00 0.00 ATOM 386 OD2 ASP 50 -11.073 -4.591 -0.132 1.00 0.00 ATOM 387 O ASP 50 -8.637 -1.373 -3.764 1.00 0.00 ATOM 388 C ASP 50 -9.635 -1.050 -3.100 1.00 0.00 ATOM 389 N ARG 51 -9.840 0.184 -2.645 1.00 0.00 ATOM 390 CA ARG 51 -8.853 1.250 -2.822 1.00 0.00 ATOM 391 CB ARG 51 -9.528 2.587 -3.010 1.00 0.00 ATOM 392 CG ARG 51 -8.539 3.732 -3.231 1.00 0.00 ATOM 393 CD ARG 51 -9.261 5.055 -3.350 1.00 0.00 ATOM 394 NE ARG 51 -8.332 6.098 -3.795 1.00 0.00 ATOM 395 CZ ARG 51 -8.601 7.393 -3.786 1.00 0.00 ATOM 396 NH1 ARG 51 -9.769 7.841 -3.324 1.00 0.00 ATOM 397 NH2 ARG 51 -7.673 8.240 -4.201 1.00 0.00 ATOM 398 O ARG 51 -8.595 1.355 -0.442 1.00 0.00 ATOM 399 C ARG 51 -8.036 1.307 -1.534 1.00 0.00 ATOM 400 N LEU 52 -6.714 1.338 -1.649 1.00 0.00 ATOM 401 CA LEU 52 -5.860 1.404 -0.468 1.00 0.00 ATOM 402 CB LEU 52 -4.491 0.785 -0.758 1.00 0.00 ATOM 403 CG LEU 52 -4.484 -0.694 -1.146 1.00 0.00 ATOM 404 CD1 LEU 52 -3.078 -1.148 -1.511 1.00 0.00 ATOM 405 CD2 LEU 52 -4.976 -1.556 0.008 1.00 0.00 ATOM 406 O LEU 52 -5.117 3.650 -0.804 1.00 0.00 ATOM 407 C LEU 52 -5.645 2.846 -0.037 1.00 0.00 ATOM 408 N ILE 53 -6.014 3.148 1.206 1.00 0.00 ATOM 409 CA ILE 53 -5.848 4.487 1.771 1.00 0.00 ATOM 410 CB ILE 53 -7.067 4.896 2.617 1.00 0.00 ATOM 411 CG1 ILE 53 -8.345 4.835 1.778 1.00 0.00 ATOM 412 CG2 ILE 53 -6.902 6.316 3.138 1.00 0.00 ATOM 413 CD1 ILE 53 -8.314 5.720 0.552 1.00 0.00 ATOM 414 O ILE 53 -3.790 5.440 2.554 1.00 0.00 ATOM 415 C ILE 53 -4.606 4.525 2.668 1.00 0.00 ATOM 416 N GLU 54 -4.447 3.524 3.534 1.00 0.00 ATOM 417 CA GLU 54 -3.271 3.461 4.414 1.00 0.00 ATOM 418 CB GLU 54 -3.634 3.923 5.828 1.00 0.00 ATOM 419 CG GLU 54 -4.079 5.375 5.911 1.00 0.00 ATOM 420 CD GLU 54 -4.411 5.800 7.326 1.00 0.00 ATOM 421 OE1 GLU 54 -4.337 4.948 8.238 1.00 0.00 ATOM 422 OE2 GLU 54 -4.745 6.988 7.527 1.00 0.00 ATOM 423 O GLU 54 -3.498 1.111 4.686 1.00 0.00 ATOM 424 C GLU 54 -2.720 2.057 4.531 1.00 0.00 ATOM 425 N VAL 55 -1.407 1.979 4.731 1.00 0.00 ATOM 426 CA VAL 55 -0.719 0.713 4.981 1.00 0.00 ATOM 427 CB VAL 55 0.259 0.373 3.841 1.00 0.00 ATOM 428 CG1 VAL 55 0.981 -0.933 4.129 1.00 0.00 ATOM 429 CG2 VAL 55 -0.489 0.230 2.525 1.00 0.00 ATOM 430 O VAL 55 0.911 1.802 6.383 1.00 0.00 ATOM 431 C VAL 55 0.024 0.943 6.301 1.00 0.00 ATOM 432 N ASN 56 -0.324 0.158 7.316 1.00 0.00 ATOM 433 CA ASN 56 0.256 0.280 8.651 1.00 0.00 ATOM 434 CB ASN 56 1.609 -0.573 8.900 1.00 0.00 ATOM 435 CG ASN 56 1.644 -1.806 8.024 1.00 0.00 ATOM 436 ND2 ASN 56 2.551 -1.822 7.067 1.00 0.00 ATOM 437 OD1 ASN 56 0.830 -2.721 8.167 1.00 0.00 ATOM 438 O ASN 56 1.143 2.162 9.897 1.00 0.00 ATOM 439 C ASN 56 0.225 1.708 9.198 1.00 0.00 ATOM 440 N GLY 57 -0.883 2.390 8.913 1.00 0.00 ATOM 441 CA GLY 57 -1.107 3.732 9.418 1.00 0.00 ATOM 442 O GLY 57 -0.850 6.034 8.846 1.00 0.00 ATOM 443 C GLY 57 -0.596 4.868 8.549 1.00 0.00 ATOM 444 N GLN 58 0.161 4.555 7.511 1.00 0.00 ATOM 445 CA GLN 58 0.692 5.583 6.627 1.00 0.00 ATOM 446 CB GLN 58 2.092 5.157 6.187 1.00 0.00 ATOM 447 CG GLN 58 3.063 5.016 7.339 1.00 0.00 ATOM 448 CD GLN 58 3.151 6.281 8.180 1.00 0.00 ATOM 449 OE1 GLN 58 3.411 7.370 7.661 1.00 0.00 ATOM 450 NE2 GLN 58 2.929 6.141 9.484 1.00 0.00 ATOM 451 O GLN 58 -0.572 4.791 4.747 1.00 0.00 ATOM 452 C GLN 58 -0.179 5.766 5.390 1.00 0.00 ATOM 453 N ASN 59 -0.467 7.013 5.036 1.00 0.00 ATOM 454 CA ASN 59 -1.296 7.288 3.874 1.00 0.00 ATOM 455 CB ASN 59 -1.310 8.800 3.692 1.00 0.00 ATOM 456 CG ASN 59 -2.328 9.335 4.693 1.00 0.00 ATOM 457 ND2 ASN 59 -1.981 10.385 5.438 1.00 0.00 ATOM 458 OD1 ASN 59 -3.390 8.754 4.942 1.00 0.00 ATOM 459 O ASN 59 0.591 7.370 2.372 1.00 0.00 ATOM 460 C ASN 59 -0.550 6.942 2.588 1.00 0.00 ATOM 461 N VAL 60 -1.199 6.171 1.721 1.00 0.00 ATOM 462 CA VAL 60 -0.574 5.754 0.468 1.00 0.00 ATOM 463 CB VAL 60 -0.423 4.223 0.390 1.00 0.00 ATOM 464 CG1 VAL 60 0.537 3.728 1.461 1.00 0.00 ATOM 465 CG2 VAL 60 -1.768 3.543 0.599 1.00 0.00 ATOM 466 O VAL 60 -1.153 5.693 -1.867 1.00 0.00 ATOM 467 C VAL 60 -1.382 6.179 -0.756 1.00 0.00 ATOM 468 N GLU 61 -2.304 7.112 -0.555 1.00 0.00 ATOM 469 CA GLU 61 -3.157 7.570 -1.645 1.00 0.00 ATOM 470 CB GLU 61 -4.133 8.638 -1.149 1.00 0.00 ATOM 471 CG GLU 61 -5.227 8.104 -0.238 1.00 0.00 ATOM 472 CD GLU 61 -6.118 9.201 0.309 1.00 0.00 ATOM 473 OE1 GLU 61 -5.839 10.385 0.032 1.00 0.00 ATOM 474 OE2 GLU 61 -7.096 8.875 1.015 1.00 0.00 ATOM 475 O GLU 61 -2.859 8.075 -3.963 1.00 0.00 ATOM 476 C GLU 61 -2.396 8.160 -2.827 1.00 0.00 ATOM 477 N GLY 62 -1.262 8.766 -2.577 1.00 0.00 ATOM 478 CA GLY 62 -0.493 9.372 -3.653 1.00 0.00 ATOM 479 O GLY 62 1.619 9.226 -4.751 1.00 0.00 ATOM 480 C GLY 62 0.820 8.691 -3.981 1.00 0.00 ATOM 481 N LEU 63 1.058 7.544 -3.365 1.00 0.00 ATOM 482 CA LEU 63 2.310 6.827 -3.588 1.00 0.00 ATOM 483 CB LEU 63 2.610 5.911 -2.359 1.00 0.00 ATOM 484 CG LEU 63 2.656 6.654 -1.019 1.00 0.00 ATOM 485 CD1 LEU 63 3.077 5.682 0.103 1.00 0.00 ATOM 486 CD2 LEU 63 3.633 7.801 -1.080 1.00 0.00 ATOM 487 O LEU 63 1.189 5.615 -5.331 1.00 0.00 ATOM 488 C LEU 63 2.260 5.945 -4.823 1.00 0.00 ATOM 489 N ARG 64 3.444 5.589 -5.311 1.00 0.00 ATOM 490 CA ARG 64 3.563 4.749 -6.493 1.00 0.00 ATOM 491 CB ARG 64 5.017 4.680 -6.906 1.00 0.00 ATOM 492 CG ARG 64 5.279 3.837 -8.138 1.00 0.00 ATOM 493 CD ARG 64 6.529 4.361 -8.864 1.00 0.00 ATOM 494 NE ARG 64 7.753 4.115 -8.111 1.00 0.00 ATOM 495 CZ ARG 64 8.844 4.879 -8.155 1.00 0.00 ATOM 496 NH1 ARG 64 8.890 5.965 -8.916 1.00 0.00 ATOM 497 NH2 ARG 64 9.901 4.545 -7.436 1.00 0.00 ATOM 498 O ARG 64 3.199 2.895 -4.993 1.00 0.00 ATOM 499 C ARG 64 3.297 3.286 -6.160 1.00 0.00 ATOM 500 N HIS 65 3.124 2.494 -7.208 1.00 0.00 ATOM 501 CA HIS 65 2.917 1.066 -7.053 1.00 0.00 ATOM 502 CB HIS 65 2.858 0.385 -8.421 1.00 0.00 ATOM 503 CG HIS 65 2.749 -1.107 -8.349 1.00 0.00 ATOM 504 CD2 HIS 65 3.660 -2.225 -8.544 1.00 0.00 ATOM 505 ND1 HIS 65 1.571 -1.753 -8.037 1.00 0.00 ATOM 506 CE1 HIS 65 1.784 -3.080 -8.050 1.00 0.00 ATOM 507 NE2 HIS 65 3.035 -3.371 -8.354 1.00 0.00 ATOM 508 O HIS 65 3.818 -0.317 -5.302 1.00 0.00 ATOM 509 C HIS 65 4.068 0.442 -6.254 1.00 0.00 ATOM 510 N ALA 66 5.305 0.772 -6.605 1.00 0.00 ATOM 511 CA ALA 66 6.465 0.151 -5.957 1.00 0.00 ATOM 512 CB ALA 66 7.779 0.591 -6.584 1.00 0.00 ATOM 513 O ALA 66 6.935 -0.254 -3.654 1.00 0.00 ATOM 514 C ALA 66 6.552 0.556 -4.503 1.00 0.00 ATOM 515 N GLU 67 6.193 1.799 -4.211 1.00 0.00 ATOM 516 CA GLU 67 6.254 2.285 -2.840 1.00 0.00 ATOM 517 CB GLU 67 6.051 3.782 -2.767 1.00 0.00 ATOM 518 CG GLU 67 7.161 4.568 -3.474 1.00 0.00 ATOM 519 CD GLU 67 8.556 4.165 -2.971 1.00 0.00 ATOM 520 OE1 GLU 67 9.416 3.846 -3.810 1.00 0.00 ATOM 521 OE2 GLU 67 8.759 4.145 -1.737 1.00 0.00 ATOM 522 O GLU 67 5.590 1.080 -0.898 1.00 0.00 ATOM 523 C GLU 67 5.248 1.530 -1.987 1.00 0.00 ATOM 524 N VAL 68 4.042 1.375 -2.486 1.00 0.00 ATOM 525 CA VAL 68 3.006 0.679 -1.723 1.00 0.00 ATOM 526 CB VAL 68 1.621 0.841 -2.387 1.00 0.00 ATOM 527 CG1 VAL 68 0.605 -0.109 -1.818 1.00 0.00 ATOM 528 CG2 VAL 68 1.171 2.293 -2.250 1.00 0.00 ATOM 529 O VAL 68 3.225 -1.339 -0.462 1.00 0.00 ATOM 530 C VAL 68 3.376 -0.789 -1.547 1.00 0.00 ATOM 531 N VAL 69 3.821 -1.424 -2.624 1.00 0.00 ATOM 532 CA VAL 69 4.221 -2.823 -2.569 1.00 0.00 ATOM 533 CB VAL 69 4.746 -3.316 -3.931 1.00 0.00 ATOM 534 CG1 VAL 69 5.340 -4.710 -3.800 1.00 0.00 ATOM 535 CG2 VAL 69 3.615 -3.368 -4.947 1.00 0.00 ATOM 536 O VAL 69 5.283 -4.002 -0.762 1.00 0.00 ATOM 537 C VAL 69 5.328 -3.046 -1.533 1.00 0.00 ATOM 538 N ALA 70 6.308 -2.161 -1.513 1.00 0.00 ATOM 539 CA ALA 70 7.406 -2.280 -0.561 1.00 0.00 ATOM 540 CB ALA 70 8.466 -1.216 -0.799 1.00 0.00 ATOM 541 O ALA 70 7.423 -2.910 1.743 1.00 0.00 ATOM 542 C ALA 70 6.923 -2.186 0.883 1.00 0.00 ATOM 543 N SER 71 5.998 -1.265 1.166 1.00 0.00 ATOM 544 CA SER 71 5.461 -1.149 2.508 1.00 0.00 ATOM 545 CB SER 71 4.400 -0.049 2.587 1.00 0.00 ATOM 546 OG SER 71 4.953 1.217 2.279 1.00 0.00 ATOM 547 O SER 71 5.168 -2.954 4.058 1.00 0.00 ATOM 548 C SER 71 4.896 -2.495 2.954 1.00 0.00 ATOM 549 N ILE 72 4.203 -3.174 2.051 1.00 0.00 ATOM 550 CA ILE 72 3.602 -4.469 2.363 1.00 0.00 ATOM 551 CB ILE 72 2.523 -4.782 1.268 1.00 0.00 ATOM 552 CG1 ILE 72 1.292 -3.887 1.361 1.00 0.00 ATOM 553 CG2 ILE 72 2.095 -6.264 1.370 1.00 0.00 ATOM 554 CD1 ILE 72 0.332 -3.933 0.226 1.00 0.00 ATOM 555 O ILE 72 4.596 -6.410 3.393 1.00 0.00 ATOM 556 C ILE 72 4.624 -5.602 2.458 1.00 0.00 ATOM 557 N LYS 73 5.540 -5.656 1.499 1.00 0.00 ATOM 558 CA LYS 73 6.534 -6.723 1.502 1.00 0.00 ATOM 559 CB LYS 73 7.443 -6.611 0.276 1.00 0.00 ATOM 560 CG LYS 73 8.484 -7.713 0.173 1.00 0.00 ATOM 561 CD LYS 73 9.293 -7.591 -1.108 1.00 0.00 ATOM 562 CE LYS 73 10.322 -8.704 -1.220 1.00 0.00 ATOM 563 NZ LYS 73 11.121 -8.599 -2.472 1.00 0.00 ATOM 564 O LYS 73 7.788 -7.716 3.290 1.00 0.00 ATOM 565 C LYS 73 7.400 -6.678 2.757 1.00 0.00 ATOM 566 N ALA 74 7.728 -5.480 3.211 1.00 0.00 ATOM 567 CA ALA 74 8.567 -5.300 4.391 1.00 0.00 ATOM 568 CB ALA 74 9.121 -3.885 4.458 1.00 0.00 ATOM 569 O ALA 74 8.462 -5.569 6.759 1.00 0.00 ATOM 570 C ALA 74 7.839 -5.571 5.709 1.00 0.00 ATOM 571 N ARG 75 6.524 -5.780 5.658 1.00 0.00 ATOM 572 CA ARG 75 5.743 -6.111 6.859 1.00 0.00 ATOM 573 CB ARG 75 4.306 -5.609 6.709 1.00 0.00 ATOM 574 CG ARG 75 4.189 -4.105 6.521 1.00 0.00 ATOM 575 CD ARG 75 4.762 -3.355 7.712 1.00 0.00 ATOM 576 NE ARG 75 3.984 -3.580 8.928 1.00 0.00 ATOM 577 CZ ARG 75 4.398 -3.261 10.150 1.00 0.00 ATOM 578 NH1 ARG 75 3.622 -3.503 11.198 1.00 0.00 ATOM 579 NH2 ARG 75 5.587 -2.699 10.323 1.00 0.00 ATOM 580 O ARG 75 5.034 -8.344 6.299 1.00 0.00 ATOM 581 C ARG 75 5.835 -7.638 6.908 1.00 0.00 ATOM 582 N GLU 76 6.785 -8.153 7.682 1.00 0.00 ATOM 583 CA GLU 76 7.039 -9.584 7.702 1.00 0.00 ATOM 584 CB GLU 76 8.381 -9.878 8.417 1.00 0.00 ATOM 585 CG GLU 76 9.607 -9.394 7.640 1.00 0.00 ATOM 586 CD GLU 76 9.825 -10.086 6.291 1.00 0.00 ATOM 587 OE1 GLU 76 9.467 -11.283 6.177 1.00 0.00 ATOM 588 OE2 GLU 76 10.376 -9.462 5.352 1.00 0.00 ATOM 589 O GLU 76 5.721 -11.570 7.918 1.00 0.00 ATOM 590 C GLU 76 5.975 -10.451 8.365 1.00 0.00 ATOM 591 N ASP 77 5.373 -9.953 9.441 1.00 0.00 ATOM 592 CA ASP 77 4.367 -10.721 10.172 1.00 0.00 ATOM 593 CB ASP 77 4.673 -10.576 11.663 1.00 0.00 ATOM 594 CG ASP 77 6.077 -11.026 12.017 1.00 0.00 ATOM 595 OD1 ASP 77 6.420 -12.189 11.719 1.00 0.00 ATOM 596 OD2 ASP 77 6.833 -10.215 12.592 1.00 0.00 ATOM 597 O ASP 77 2.071 -11.287 9.911 1.00 0.00 ATOM 598 C ASP 77 2.906 -10.386 10.008 1.00 0.00 ATOM 599 N GLU 78 2.599 -9.095 9.972 1.00 0.00 ATOM 600 CA GLU 78 1.229 -8.631 9.839 1.00 0.00 ATOM 601 CB GLU 78 0.582 -8.503 11.219 1.00 0.00 ATOM 602 CG GLU 78 1.237 -7.468 12.118 1.00 0.00 ATOM 603 CD GLU 78 0.637 -7.442 13.510 1.00 0.00 ATOM 604 OE1 GLU 78 -0.304 -8.223 13.767 1.00 0.00 ATOM 605 OE2 GLU 78 1.107 -6.640 14.345 1.00 0.00 ATOM 606 O GLU 78 2.170 -6.504 9.259 1.00 0.00 ATOM 607 C GLU 78 1.213 -7.274 9.155 1.00 0.00 ATOM 608 N ALA 79 0.116 -6.996 8.495 1.00 0.00 ATOM 609 CA ALA 79 -0.072 -5.713 7.842 1.00 0.00 ATOM 610 CB ALA 79 0.268 -5.805 6.363 1.00 0.00 ATOM 611 O ALA 79 -2.455 -6.015 7.813 1.00 0.00 ATOM 612 C ALA 79 -1.509 -5.239 7.991 1.00 0.00 ATOM 613 N ARG 80 -1.656 -3.965 8.337 1.00 0.00 ATOM 614 CA ARG 80 -2.965 -3.341 8.524 1.00 0.00 ATOM 615 CB ARG 80 -2.991 -2.633 9.914 1.00 0.00 ATOM 616 CG ARG 80 -2.374 -3.427 11.120 1.00 0.00 ATOM 617 CD ARG 80 -1.675 -2.524 12.174 1.00 0.00 ATOM 618 NE ARG 80 -1.263 -3.231 13.397 1.00 0.00 ATOM 619 CZ ARG 80 -2.103 -3.626 14.351 1.00 0.00 ATOM 620 NH1 ARG 80 -3.403 -3.377 14.255 1.00 0.00 ATOM 621 NH2 ARG 80 -1.647 -4.285 15.414 1.00 0.00 ATOM 622 O ARG 80 -2.441 -1.640 6.920 1.00 0.00 ATOM 623 C ARG 80 -3.234 -2.513 7.281 1.00 0.00 ATOM 624 N LEU 81 -4.344 -2.791 6.613 1.00 0.00 ATOM 625 CA LEU 81 -4.695 -2.067 5.401 1.00 0.00 ATOM 626 CB LEU 81 -4.849 -3.016 4.211 1.00 0.00 ATOM 627 CG LEU 81 -3.607 -3.821 3.822 1.00 0.00 ATOM 628 CD1 LEU 81 -3.934 -4.814 2.717 1.00 0.00 ATOM 629 CD2 LEU 81 -2.504 -2.901 3.325 1.00 0.00 ATOM 630 O LEU 81 -7.028 -1.951 5.908 1.00 0.00 ATOM 631 C LEU 81 -6.011 -1.332 5.596 1.00 0.00 ATOM 632 N LEU 82 -5.982 -0.013 5.471 1.00 0.00 ATOM 633 CA LEU 82 -7.221 0.766 5.571 1.00 0.00 ATOM 634 CB LEU 82 -6.949 2.124 6.221 1.00 0.00 ATOM 635 CG LEU 82 -8.151 3.059 6.363 1.00 0.00 ATOM 636 CD1 LEU 82 -9.185 2.464 7.308 1.00 0.00 ATOM 637 CD2 LEU 82 -7.721 4.408 6.919 1.00 0.00 ATOM 638 O LEU 82 -6.926 1.435 3.292 1.00 0.00 ATOM 639 C LEU 82 -7.666 0.904 4.122 1.00 0.00 ATOM 640 N VAL 83 -8.864 0.410 3.809 1.00 0.00 ATOM 641 CA VAL 83 -9.357 0.423 2.444 1.00 0.00 ATOM 642 CB VAL 83 -9.435 -1.000 1.860 1.00 0.00 ATOM 643 CG1 VAL 83 -8.052 -1.633 1.807 1.00 0.00 ATOM 644 CG2 VAL 83 -10.333 -1.879 2.718 1.00 0.00 ATOM 645 O VAL 83 -11.586 1.021 3.258 1.00 0.00 ATOM 646 C VAL 83 -10.766 0.956 2.322 1.00 0.00 ATOM 647 N VAL 84 -11.045 1.405 1.101 1.00 0.00 ATOM 648 CA VAL 84 -12.424 1.851 0.777 1.00 0.00 ATOM 649 CB VAL 84 -12.400 3.278 0.196 1.00 0.00 ATOM 650 CG1 VAL 84 -13.811 3.737 -0.144 1.00 0.00 ATOM 651 CG2 VAL 84 -11.807 4.253 1.201 1.00 0.00 ATOM 652 O VAL 84 -12.303 0.616 -1.285 1.00 0.00 ATOM 653 C VAL 84 -12.927 0.837 -0.239 1.00 0.00 ATOM 654 N GLY 85 -14.049 0.199 0.105 1.00 0.00 ATOM 655 CA GLY 85 -14.607 -0.817 -0.756 1.00 0.00 ATOM 656 O GLY 85 -16.677 -0.440 0.419 1.00 0.00 ATOM 657 C GLY 85 -16.065 -1.096 -0.437 1.00 0.00 ATOM 658 N PRO 86 -16.602 -2.097 -1.084 1.00 0.00 ATOM 659 CA PRO 86 -15.966 -3.064 -1.994 1.00 0.00 ATOM 660 CB PRO 86 -16.887 -4.283 -1.979 1.00 0.00 ATOM 661 CG PRO 86 -18.259 -3.666 -1.968 1.00 0.00 ATOM 662 CD PRO 86 -18.067 -2.416 -0.940 1.00 0.00 ATOM 663 O PRO 86 -14.819 -3.193 -4.067 1.00 0.00 ATOM 664 C PRO 86 -15.587 -2.530 -3.366 1.00 0.00 ATOM 665 N SER 87 -16.107 -1.364 -3.742 1.00 0.00 ATOM 666 CA SER 87 -15.693 -0.699 -4.963 1.00 0.00 ATOM 667 CB SER 87 -16.659 -0.987 -6.094 1.00 0.00 ATOM 668 OG SER 87 -17.927 -0.384 -5.851 1.00 0.00 ATOM 669 O SER 87 -16.058 1.265 -3.628 1.00 0.00 ATOM 670 C SER 87 -15.496 0.771 -4.610 1.00 0.00 ATOM 671 N THR 88 -14.694 1.475 -5.330 1.00 0.00 ATOM 672 CA THR 88 -14.466 2.894 -5.103 1.00 0.00 ATOM 673 CB THR 88 -13.411 3.426 -6.090 1.00 0.00 ATOM 674 CG2 THR 88 -13.157 4.907 -5.852 1.00 0.00 ATOM 675 OG1 THR 88 -12.182 2.711 -5.912 1.00 0.00 ATOM 676 O THR 88 -15.991 4.543 -4.403 1.00 0.00 ATOM 677 C THR 88 -15.715 3.706 -5.257 1.00 0.00 ATOM 678 N ARG 89 -16.438 3.505 -6.348 1.00 0.00 ATOM 679 CA ARG 89 -17.676 4.218 -6.575 1.00 0.00 ATOM 680 CB ARG 89 -18.402 3.855 -7.859 1.00 0.00 ATOM 681 CG ARG 89 -19.041 2.469 -7.828 1.00 0.00 ATOM 682 CD ARG 89 -19.297 1.888 -9.223 1.00 0.00 ATOM 683 NE ARG 89 -19.914 0.580 -9.102 1.00 0.00 ATOM 684 CZ ARG 89 -19.258 -0.539 -8.803 1.00 0.00 ATOM 685 NH1 ARG 89 -17.931 -0.545 -8.601 1.00 0.00 ATOM 686 NH2 ARG 89 -19.929 -1.686 -8.702 1.00 0.00 ATOM 687 O ARG 89 -19.162 4.800 -4.803 1.00 0.00 ATOM 688 C ARG 89 -18.618 3.904 -5.425 1.00 0.00 ATOM 689 N LEU 90 -18.804 2.621 -5.133 1.00 0.00 ATOM 690 CA LEU 90 -19.731 2.210 -4.081 1.00 0.00 ATOM 691 CB LEU 90 -20.126 0.761 -4.280 1.00 0.00 ATOM 692 CG LEU 90 -20.883 0.401 -5.543 1.00 0.00 ATOM 693 CD1 LEU 90 -21.040 -1.116 -5.494 1.00 0.00 ATOM 694 CD2 LEU 90 -22.261 1.120 -5.628 1.00 0.00 ATOM 695 O LEU 90 -17.932 2.275 -2.548 1.00 0.00 ATOM 696 C LEU 90 -19.173 2.545 -2.674 1.00 0.00 TER END