PFRMAT TS TARGET T0309 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 8 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 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 T0309 is an ORFan---we found no similar sequences in NR, even with our METHOD most-sensitive iterated searches. This makes all of our predictions METHOD methods (neural nets, HMMs, ...) much less accurate, as we have no METHOD signal from evolutionary sampling of the fold. METHOD METHOD Our first model had a serious flaw---it included the HIS tag in a sheet. METHOD Under the assumption that the structure is formed without the HIS tag, METHOD we made two subdomain predictions M1-E63 and M1-G66. HIS tags were METHOD pasted onto the automatically generated subdomain models, and the METHOD resulting chimeras optimized. Closing the gaps was a bit hard, as the METHOD subdomain models had not necessarily left the C-terminus on the surface. METHOD We also tried taking the sheet from one of the optimizations, and METHOD adding the HIS tag from one of the others. METHOD METHOD history to keep track of where models came from: METHOD METHOD M1-G66 -> chimera1-> try2 METHOD M1-G66 -> chimera2 -> try3 METHOD M1-E63 -> chimera3 -> try4, try5 METHOD try4 -> chimera4 -> try6 -> try7 METHOD METHOD try5-opt.gromacs0 -> try8-opt2.gromacs0 -> try9-opt1.gromacs0.repack-nonPC -> try10 METHOD METHOD None of the HIS tags are very convincing, but HIS tags are often METHOD disordered, so there is not much point in trying to optimize the METHOD prediction of their structure. METHOD METHOD Model 1 is try10-opt2 which twice had pieces from other optimizations METHOD stuck onto the M1-E63 base model. It scores best with our cost METHOD functions. METHOD METHOD Model 2 is try7-opt2, optimized from chimera4 METHOD METHOD Model 3 is try3-opt2, which uses a different alignment of the strands. METHOD METHOD Model 4 is try4-opt2, yet another optimization of from chimera3. It is METHOD the base model which had N- and C-termini replaced to make METHOD chimera4, which was optimized to form our best-scoring model. METHOD METHOD Model 5 is try2-opt2, which is an optimization of chimera1, based on METHOD the same underlying model as try3-opt2 (model 3), but with METHOD different HIS tag attached. METHOD METHOD METHOD REMARK 6 REMARK 6 T0309 model 3 Tue Jul 4 17:25:41 2006 MODEL 3 PARENT 1wmh_B 1y96_B 1ght_A 1d2p_A 1gdt_A REMARK 7 REMARK 7 ALLPARENTS 1wmh_B 1y96_B 1ght_A 1d2p_A 1gdt_A ATOM 1 N MET 1 25.543 19.485 26.368 1.00 0.00 ATOM 2 CA MET 1 26.327 20.694 26.736 1.00 0.00 ATOM 3 CB MET 1 25.788 21.309 28.028 1.00 0.00 ATOM 4 CG MET 1 25.938 20.419 29.250 1.00 0.00 ATOM 5 SD MET 1 25.257 21.165 30.743 1.00 0.00 ATOM 6 CE MET 1 26.448 22.470 31.043 1.00 0.00 ATOM 7 O MET 1 27.990 19.067 27.243 1.00 0.00 ATOM 8 C MET 1 27.754 20.237 26.944 1.00 0.00 ATOM 9 N ALA 2 28.694 21.150 26.701 1.00 0.00 ATOM 10 CA ALA 2 30.102 20.843 26.825 1.00 0.00 ATOM 11 CB ALA 2 30.923 21.979 26.245 1.00 0.00 ATOM 12 O ALA 2 30.093 21.307 29.161 1.00 0.00 ATOM 13 C ALA 2 30.448 20.536 28.268 1.00 0.00 ATOM 14 N SER 3 31.206 19.351 28.342 1.00 0.00 ATOM 15 CA SER 3 31.553 18.959 29.705 1.00 0.00 ATOM 16 CB SER 3 31.631 17.436 29.813 1.00 0.00 ATOM 17 OG SER 3 32.726 16.927 29.074 1.00 0.00 ATOM 18 O SER 3 33.667 19.930 29.106 1.00 0.00 ATOM 19 C SER 3 32.904 19.609 30.017 1.00 0.00 ATOM 20 N LYS 4 33.206 19.781 31.303 1.00 0.00 ATOM 21 CA LYS 4 34.448 20.420 31.731 1.00 0.00 ATOM 22 CB LYS 4 34.226 21.230 33.010 1.00 0.00 ATOM 23 CG LYS 4 33.293 22.418 32.839 1.00 0.00 ATOM 24 CD LYS 4 33.113 23.173 34.145 1.00 0.00 ATOM 25 CE LYS 4 32.139 24.328 33.987 1.00 0.00 ATOM 26 NZ LYS 4 31.974 25.094 35.253 1.00 0.00 ATOM 27 O LYS 4 36.648 19.875 32.455 1.00 0.00 ATOM 28 C LYS 4 35.586 19.459 31.992 1.00 0.00 ATOM 29 N LYS 5 35.300 18.166 31.907 1.00 0.00 ATOM 30 CA LYS 5 36.318 17.151 32.142 1.00 0.00 ATOM 31 CB LYS 5 35.757 15.755 31.866 1.00 0.00 ATOM 32 CG LYS 5 34.663 15.322 32.831 1.00 0.00 ATOM 33 CD LYS 5 34.154 13.929 32.498 1.00 0.00 ATOM 34 CE LYS 5 33.064 13.495 33.466 1.00 0.00 ATOM 35 NZ LYS 5 32.553 12.133 33.151 1.00 0.00 ATOM 36 O LYS 5 38.620 16.921 31.507 1.00 0.00 ATOM 37 C LYS 5 37.527 17.423 31.265 1.00 0.00 ATOM 38 N VAL 6 37.312 18.201 30.218 1.00 0.00 ATOM 39 CA VAL 6 38.369 18.512 29.281 1.00 0.00 ATOM 40 CB VAL 6 38.191 17.696 27.960 1.00 0.00 ATOM 41 CG1 VAL 6 38.051 16.215 28.262 1.00 0.00 ATOM 42 CG2 VAL 6 36.983 18.213 27.203 1.00 0.00 ATOM 43 O VAL 6 37.427 20.689 29.045 1.00 0.00 ATOM 44 C VAL 6 38.434 20.000 28.993 1.00 0.00 ATOM 45 N HIS 7 39.623 20.496 28.681 1.00 0.00 ATOM 46 CA HIS 7 39.766 21.908 28.380 1.00 0.00 ATOM 47 CB HIS 7 41.374 22.200 28.474 1.00 0.00 ATOM 48 CG HIS 7 42.010 22.008 29.818 1.00 0.00 ATOM 49 CD2 HIS 7 43.256 21.600 30.166 1.00 0.00 ATOM 50 ND1 HIS 7 41.352 22.264 31.002 1.00 0.00 ATOM 51 CE1 HIS 7 42.162 22.022 32.019 1.00 0.00 ATOM 52 NE2 HIS 7 43.323 21.620 31.538 1.00 0.00 ATOM 53 O HIS 7 38.706 23.532 26.966 1.00 0.00 ATOM 54 C HIS 7 39.147 22.391 27.067 1.00 0.00 ATOM 55 N GLN 8 39.199 21.361 26.135 1.00 0.00 ATOM 56 CA GLN 8 38.642 21.649 24.819 1.00 0.00 ATOM 57 CB GLN 8 39.800 21.897 23.748 1.00 0.00 ATOM 58 CG GLN 8 40.649 20.634 23.563 1.00 0.00 ATOM 59 CD GLN 8 41.988 20.798 22.809 1.00 0.00 ATOM 60 OE1 GLN 8 42.925 20.039 23.088 1.00 0.00 ATOM 61 NE2 GLN 8 42.042 21.694 21.794 1.00 0.00 ATOM 62 O GLN 8 37.678 19.465 24.632 1.00 0.00 ATOM 63 C GLN 8 37.547 20.667 24.424 1.00 0.00 ATOM 64 N ILE 9 36.469 21.188 23.849 1.00 0.00 ATOM 65 CA ILE 9 35.374 20.345 23.393 1.00 0.00 ATOM 66 CB ILE 9 34.024 21.028 23.658 1.00 0.00 ATOM 67 CG1 ILE 9 33.809 21.117 25.174 1.00 0.00 ATOM 68 CG2 ILE 9 32.900 20.222 23.001 1.00 0.00 ATOM 69 CD1 ILE 9 32.568 21.931 25.595 1.00 0.00 ATOM 70 O ILE 9 35.505 21.144 21.132 1.00 0.00 ATOM 71 C ILE 9 35.562 20.174 21.888 1.00 0.00 ATOM 72 N ASN 10 35.848 18.944 21.477 1.00 0.00 ATOM 73 CA ASN 10 36.059 18.618 20.073 1.00 0.00 ATOM 74 CB ASN 10 37.154 17.557 19.922 1.00 0.00 ATOM 75 CG ASN 10 37.491 17.273 18.470 1.00 0.00 ATOM 76 ND2 ASN 10 38.712 16.807 18.230 1.00 0.00 ATOM 77 OD1 ASN 10 36.664 17.471 17.581 1.00 0.00 ATOM 78 O ASN 10 34.132 17.201 20.155 1.00 0.00 ATOM 79 C ASN 10 34.720 18.103 19.563 1.00 0.00 ATOM 80 N VAL 11 34.204 18.738 18.514 1.00 0.00 ATOM 81 CA VAL 11 32.904 18.378 17.970 1.00 0.00 ATOM 82 CB VAL 11 31.913 19.554 18.068 1.00 0.00 ATOM 83 CG1 VAL 11 30.534 19.231 17.497 1.00 0.00 ATOM 84 CG2 VAL 11 31.786 20.081 19.514 1.00 0.00 ATOM 85 O VAL 11 33.644 18.585 15.712 1.00 0.00 ATOM 86 C VAL 11 32.955 17.958 16.520 1.00 0.00 ATOM 87 N LYS 12 32.157 16.920 16.208 1.00 0.00 ATOM 88 CA LYS 12 31.992 16.369 14.869 1.00 0.00 ATOM 89 CB LYS 12 32.858 15.115 14.686 1.00 0.00 ATOM 90 CG LYS 12 32.862 14.553 13.279 1.00 0.00 ATOM 91 CD LYS 12 33.835 13.393 13.157 1.00 0.00 ATOM 92 CE LYS 12 33.831 12.818 11.750 1.00 0.00 ATOM 93 NZ LYS 12 34.151 13.854 10.728 1.00 0.00 ATOM 94 O LYS 12 29.852 15.443 15.428 1.00 0.00 ATOM 95 C LYS 12 30.480 16.274 14.763 1.00 0.00 ATOM 96 N GLY 13 29.901 17.176 13.984 1.00 0.00 ATOM 97 CA GLY 13 28.458 17.255 13.843 1.00 0.00 ATOM 98 O GLY 13 28.300 17.533 11.468 1.00 0.00 ATOM 99 C GLY 13 27.911 16.929 12.464 1.00 0.00 ATOM 100 N PHE 14 26.953 16.005 12.433 1.00 0.00 ATOM 101 CA PHE 14 26.321 15.583 11.192 1.00 0.00 ATOM 102 CB PHE 14 26.137 14.064 11.219 1.00 0.00 ATOM 103 CG PHE 14 27.428 13.297 11.222 1.00 0.00 ATOM 104 CD1 PHE 14 28.035 12.940 12.414 1.00 0.00 ATOM 105 CD2 PHE 14 28.036 12.932 10.034 1.00 0.00 ATOM 106 CE1 PHE 14 29.224 12.235 12.417 1.00 0.00 ATOM 107 CE2 PHE 14 29.225 12.225 10.038 1.00 0.00 ATOM 108 CZ PHE 14 29.817 11.876 11.222 1.00 0.00 ATOM 109 O PHE 14 24.130 16.228 11.910 1.00 0.00 ATOM 110 C PHE 14 24.966 16.251 11.009 1.00 0.00 ATOM 111 N PHE 15 24.794 16.797 9.863 1.00 0.00 ATOM 112 CA PHE 15 23.536 17.466 9.545 1.00 0.00 ATOM 113 CB PHE 15 23.731 18.983 9.483 1.00 0.00 ATOM 114 CG PHE 15 24.218 19.585 10.768 1.00 0.00 ATOM 115 CD1 PHE 15 25.570 19.750 11.007 1.00 0.00 ATOM 116 CD2 PHE 15 23.321 19.986 11.744 1.00 0.00 ATOM 117 CE1 PHE 15 26.018 20.303 12.189 1.00 0.00 ATOM 118 CE2 PHE 15 23.767 20.540 12.928 1.00 0.00 ATOM 119 CZ PHE 15 25.110 20.700 13.153 1.00 0.00 ATOM 120 O PHE 15 23.643 17.335 7.158 1.00 0.00 ATOM 121 C PHE 15 23.138 16.904 8.195 1.00 0.00 ATOM 122 N ASP 16 22.080 15.992 8.202 1.00 0.00 ATOM 123 CA ASP 16 21.628 15.313 6.998 1.00 0.00 ATOM 124 CB ASP 16 21.240 16.330 5.923 1.00 0.00 ATOM 125 CG ASP 16 20.073 17.203 6.341 1.00 0.00 ATOM 126 OD1 ASP 16 19.068 16.651 6.835 1.00 0.00 ATOM 127 OD2 ASP 16 20.163 18.436 6.173 1.00 0.00 ATOM 128 O ASP 16 23.297 13.636 7.259 1.00 0.00 ATOM 129 C ASP 16 22.785 14.458 6.502 1.00 0.00 ATOM 130 N MET 17 23.362 14.831 5.366 1.00 0.00 ATOM 131 CA MET 17 24.470 14.071 4.804 1.00 0.00 ATOM 132 CB MET 17 24.283 13.925 3.294 1.00 0.00 ATOM 133 CG MET 17 23.059 13.116 2.895 1.00 0.00 ATOM 134 SD MET 17 23.141 11.405 3.465 1.00 0.00 ATOM 135 CE MET 17 24.490 10.779 2.469 1.00 0.00 ATOM 136 O MET 17 26.852 14.098 4.601 1.00 0.00 ATOM 137 C MET 17 25.850 14.695 5.000 1.00 0.00 ATOM 138 N ASP 18 25.838 15.954 5.594 1.00 0.00 ATOM 139 CA ASP 18 27.127 16.632 5.768 1.00 0.00 ATOM 140 CB ASP 18 26.992 18.131 5.497 1.00 0.00 ATOM 141 CG ASP 18 26.784 18.441 4.028 1.00 0.00 ATOM 142 OD1 ASP 18 26.961 17.526 3.198 1.00 0.00 ATOM 143 OD2 ASP 18 26.445 19.600 3.708 1.00 0.00 ATOM 144 O ASP 18 26.962 16.279 8.141 1.00 0.00 ATOM 145 C ASP 18 27.694 16.509 7.176 1.00 0.00 ATOM 146 N VAL 19 29.007 16.688 7.276 1.00 0.00 ATOM 147 CA VAL 19 29.697 16.668 8.559 1.00 0.00 ATOM 148 CB VAL 19 30.686 15.489 8.640 1.00 0.00 ATOM 149 CG1 VAL 19 31.735 15.598 7.548 1.00 0.00 ATOM 150 CG2 VAL 19 31.392 15.479 9.987 1.00 0.00 ATOM 151 O VAL 19 31.178 18.390 7.749 1.00 0.00 ATOM 152 C VAL 19 30.522 17.964 8.704 1.00 0.00 ATOM 153 N MET 20 30.414 18.551 9.834 1.00 0.00 ATOM 154 CA MET 20 31.250 19.724 10.180 1.00 0.00 ATOM 155 CB MET 20 30.307 20.926 10.275 1.00 0.00 ATOM 156 CG MET 20 31.004 22.239 10.592 1.00 0.00 ATOM 157 SD MET 20 29.885 23.651 10.547 1.00 0.00 ATOM 158 CE MET 20 28.926 23.372 12.034 1.00 0.00 ATOM 159 O MET 20 31.360 19.099 12.500 1.00 0.00 ATOM 160 C MET 20 31.960 19.532 11.511 1.00 0.00 ATOM 161 N GLU 21 33.235 19.897 11.542 1.00 0.00 ATOM 162 CA GLU 21 34.045 19.759 12.744 1.00 0.00 ATOM 163 CB GLU 21 35.283 18.909 12.448 1.00 0.00 ATOM 164 CG GLU 21 34.971 17.462 12.100 1.00 0.00 ATOM 165 CD GLU 21 36.223 16.638 11.869 1.00 0.00 ATOM 166 OE1 GLU 21 37.334 17.201 11.964 1.00 0.00 ATOM 167 OE2 GLU 21 36.094 15.426 11.593 1.00 0.00 ATOM 168 O GLU 21 34.974 21.958 12.510 1.00 0.00 ATOM 169 C GLU 21 34.516 21.105 13.268 1.00 0.00 ATOM 170 N VAL 22 34.477 21.073 14.689 1.00 0.00 ATOM 171 CA VAL 22 34.846 22.351 15.282 1.00 0.00 ATOM 172 CB VAL 22 33.683 23.359 15.219 1.00 0.00 ATOM 173 CG1 VAL 22 33.365 23.716 13.775 1.00 0.00 ATOM 174 CG2 VAL 22 32.433 22.770 15.855 1.00 0.00 ATOM 175 O VAL 22 35.376 20.913 17.112 1.00 0.00 ATOM 176 C VAL 22 35.296 22.071 16.701 1.00 0.00 ATOM 177 N THR 23 35.739 23.111 17.394 1.00 0.00 ATOM 178 CA THR 23 36.162 22.955 18.774 1.00 0.00 ATOM 179 CB THR 23 37.642 22.484 18.797 1.00 0.00 ATOM 180 CG2 THR 23 38.534 23.526 18.114 1.00 0.00 ATOM 181 OG1 THR 23 38.090 22.290 20.144 1.00 0.00 ATOM 182 O THR 23 36.305 25.330 18.964 1.00 0.00 ATOM 183 C THR 23 36.011 24.270 19.509 1.00 0.00 ATOM 184 N GLU 24 35.714 24.184 20.796 1.00 0.00 ATOM 185 CA GLU 24 35.565 25.372 21.615 1.00 0.00 ATOM 186 CB GLU 24 34.166 25.923 21.491 1.00 0.00 ATOM 187 CG GLU 24 34.031 26.883 20.313 1.00 0.00 ATOM 188 CD GLU 24 32.601 27.062 19.850 1.00 0.00 ATOM 189 OE1 GLU 24 32.401 27.383 18.659 1.00 0.00 ATOM 190 OE2 GLU 24 31.663 26.900 20.661 1.00 0.00 ATOM 191 O GLU 24 35.913 23.928 23.487 1.00 0.00 ATOM 192 C GLU 24 35.991 25.070 23.036 1.00 0.00 ATOM 193 N GLN 25 36.420 26.100 23.772 1.00 0.00 ATOM 194 CA GLN 25 36.840 25.888 25.155 1.00 0.00 ATOM 195 CB GLN 25 37.297 27.207 25.781 1.00 0.00 ATOM 196 CG GLN 25 37.867 27.063 27.184 1.00 0.00 ATOM 197 CD GLN 25 38.424 28.367 27.724 1.00 0.00 ATOM 198 OE1 GLN 25 38.341 29.406 27.069 1.00 0.00 ATOM 199 NE2 GLN 25 38.995 28.313 28.921 1.00 0.00 ATOM 200 O GLN 25 34.549 25.765 25.837 1.00 0.00 ATOM 201 C GLN 25 35.687 25.327 25.976 1.00 0.00 ATOM 202 N THR 26 36.024 24.130 26.612 1.00 0.00 ATOM 203 CA THR 26 34.998 23.210 27.079 1.00 0.00 ATOM 204 CB THR 26 35.670 22.036 27.739 1.00 0.00 ATOM 205 CG2 THR 26 34.624 21.128 28.361 1.00 0.00 ATOM 206 OG1 THR 26 36.417 21.348 26.734 1.00 0.00 ATOM 207 O THR 26 32.908 23.785 28.098 1.00 0.00 ATOM 208 C THR 26 34.135 23.904 28.138 1.00 0.00 ATOM 209 N LYS 27 34.726 24.690 29.018 1.00 0.00 ATOM 210 CA LYS 27 33.949 25.409 30.038 1.00 0.00 ATOM 211 CB LYS 27 34.884 26.027 31.080 1.00 0.00 ATOM 212 CG LYS 27 35.733 25.014 31.832 1.00 0.00 ATOM 213 CD LYS 27 36.612 25.692 32.870 1.00 0.00 ATOM 214 CE LYS 27 37.462 24.680 33.622 1.00 0.00 ATOM 215 NZ LYS 27 38.336 25.331 34.637 1.00 0.00 ATOM 216 O LYS 27 32.161 26.985 30.269 1.00 0.00 ATOM 217 C LYS 27 33.005 26.489 29.524 1.00 0.00 ATOM 218 N GLU 28 33.171 26.841 28.188 1.00 0.00 ATOM 219 CA GLU 28 32.313 27.861 27.594 1.00 0.00 ATOM 220 CB GLU 28 33.194 28.831 26.809 1.00 0.00 ATOM 221 CG GLU 28 34.332 29.394 27.657 1.00 0.00 ATOM 222 CD GLU 28 33.874 30.449 28.629 1.00 0.00 ATOM 223 OE1 GLU 28 32.664 30.757 28.706 1.00 0.00 ATOM 224 OE2 GLU 28 34.752 30.977 29.345 1.00 0.00 ATOM 225 O GLU 28 30.134 28.056 26.597 1.00 0.00 ATOM 226 C GLU 28 31.022 27.302 26.999 1.00 0.00 ATOM 227 N ALA 29 30.915 25.979 26.970 1.00 0.00 ATOM 228 CA ALA 29 29.735 25.300 26.434 1.00 0.00 ATOM 229 CB ALA 29 30.119 23.911 26.040 1.00 0.00 ATOM 230 O ALA 29 28.484 24.317 28.181 1.00 0.00 ATOM 231 C ALA 29 28.525 25.199 27.343 1.00 0.00 ATOM 232 N GLU 30 27.547 26.048 27.174 1.00 0.00 ATOM 233 CA GLU 30 26.358 26.040 28.032 1.00 0.00 ATOM 234 CB GLU 30 25.535 27.233 27.806 1.00 0.00 ATOM 235 CG GLU 30 26.384 28.495 27.964 1.00 0.00 ATOM 236 CD GLU 30 25.575 29.757 28.165 1.00 0.00 ATOM 237 OE1 GLU 30 24.412 29.800 27.719 1.00 0.00 ATOM 238 OE2 GLU 30 26.107 30.717 28.764 1.00 0.00 ATOM 239 O GLU 30 24.841 24.290 28.825 1.00 0.00 ATOM 240 C GLU 30 25.387 24.858 27.854 1.00 0.00 ATOM 241 N TYR 31 25.162 24.411 26.538 1.00 0.00 ATOM 242 CA TYR 31 24.291 23.273 26.262 1.00 0.00 ATOM 243 CB TYR 31 22.905 23.505 26.920 1.00 0.00 ATOM 244 CG TYR 31 22.290 24.847 26.600 1.00 0.00 ATOM 245 CD1 TYR 31 21.710 25.094 25.356 1.00 0.00 ATOM 246 CD2 TYR 31 22.303 25.877 27.540 1.00 0.00 ATOM 247 CE1 TYR 31 21.153 26.336 25.060 1.00 0.00 ATOM 248 CE2 TYR 31 21.748 27.120 27.254 1.00 0.00 ATOM 249 CZ TYR 31 21.179 27.343 26.012 1.00 0.00 ATOM 250 OH TYR 31 20.648 28.578 25.727 1.00 0.00 ATOM 251 O TYR 31 24.622 23.760 23.948 1.00 0.00 ATOM 252 C TYR 31 24.111 23.016 24.781 1.00 0.00 ATOM 253 N THR 32 23.431 21.962 24.463 1.00 0.00 ATOM 254 CA THR 32 23.253 21.476 23.104 1.00 0.00 ATOM 255 CB THR 32 22.475 20.147 23.076 1.00 0.00 ATOM 256 CG2 THR 32 22.267 19.682 21.642 1.00 0.00 ATOM 257 OG1 THR 32 23.213 19.143 23.786 1.00 0.00 ATOM 258 O THR 32 22.811 22.543 21.008 1.00 0.00 ATOM 259 C THR 32 22.486 22.431 22.190 1.00 0.00 ATOM 260 N TYR 33 21.370 22.969 22.669 1.00 0.00 ATOM 261 CA TYR 33 20.570 23.881 21.858 1.00 0.00 ATOM 262 CB TYR 33 19.400 24.443 22.670 1.00 0.00 ATOM 263 CG TYR 33 18.543 25.428 21.909 1.00 0.00 ATOM 264 CD1 TYR 33 17.584 24.985 21.008 1.00 0.00 ATOM 265 CD2 TYR 33 18.694 26.795 22.097 1.00 0.00 ATOM 266 CE1 TYR 33 16.795 25.878 20.309 1.00 0.00 ATOM 267 CE2 TYR 33 17.914 27.702 21.405 1.00 0.00 ATOM 268 CZ TYR 33 16.959 27.231 20.507 1.00 0.00 ATOM 269 OH TYR 33 16.172 28.123 19.811 1.00 0.00 ATOM 270 O TYR 33 21.389 25.373 20.166 1.00 0.00 ATOM 271 C TYR 33 21.398 25.055 21.354 1.00 0.00 ATOM 272 N ASP 34 22.139 25.702 22.321 1.00 0.00 ATOM 273 CA ASP 34 22.999 26.827 21.979 1.00 0.00 ATOM 274 CB ASP 34 23.672 27.387 23.232 1.00 0.00 ATOM 275 CG ASP 34 24.484 28.636 22.948 1.00 0.00 ATOM 276 OD1 ASP 34 23.891 29.643 22.509 1.00 0.00 ATOM 277 OD2 ASP 34 25.714 28.606 23.164 1.00 0.00 ATOM 278 O ASP 34 24.325 27.103 20.016 1.00 0.00 ATOM 279 C ASP 34 24.096 26.412 21.003 1.00 0.00 ATOM 280 N PHE 35 24.701 25.265 21.231 1.00 0.00 ATOM 281 CA PHE 35 25.753 24.772 20.339 1.00 0.00 ATOM 282 CB PHE 35 25.846 23.154 20.721 1.00 0.00 ATOM 283 CG PHE 35 27.119 22.403 20.476 1.00 0.00 ATOM 284 CD1 PHE 35 28.134 22.393 21.430 1.00 0.00 ATOM 285 CD2 PHE 35 27.304 21.699 19.290 1.00 0.00 ATOM 286 CE1 PHE 35 29.317 21.690 21.207 1.00 0.00 ATOM 287 CE2 PHE 35 28.480 20.993 19.057 1.00 0.00 ATOM 288 CZ PHE 35 29.490 20.990 20.020 1.00 0.00 ATOM 289 O PHE 35 25.862 24.774 17.931 1.00 0.00 ATOM 290 C PHE 35 25.213 24.476 18.939 1.00 0.00 ATOM 291 N LYS 36 24.045 23.847 18.877 1.00 0.00 ATOM 292 CA LYS 36 23.426 23.532 17.597 1.00 0.00 ATOM 293 CB LYS 36 22.100 22.799 17.807 1.00 0.00 ATOM 294 CG LYS 36 21.406 22.391 16.518 1.00 0.00 ATOM 295 CD LYS 36 20.136 21.602 16.802 1.00 0.00 ATOM 296 CE LYS 36 19.427 21.218 15.515 1.00 0.00 ATOM 297 NZ LYS 36 18.173 20.458 15.776 1.00 0.00 ATOM 298 O LYS 36 23.367 24.881 15.610 1.00 0.00 ATOM 299 C LYS 36 23.155 24.816 16.819 1.00 0.00 ATOM 300 N GLU 37 22.624 25.906 17.429 1.00 0.00 ATOM 301 CA GLU 37 22.313 27.162 16.756 1.00 0.00 ATOM 302 CB GLU 37 21.716 28.167 17.744 1.00 0.00 ATOM 303 CG GLU 37 21.305 29.488 17.116 1.00 0.00 ATOM 304 CD GLU 37 20.666 30.435 18.114 1.00 0.00 ATOM 305 OE1 GLU 37 20.527 30.047 19.293 1.00 0.00 ATOM 306 OE2 GLU 37 20.306 31.561 17.715 1.00 0.00 ATOM 307 O GLU 37 23.611 28.170 15.000 1.00 0.00 ATOM 308 C GLU 37 23.593 27.745 16.158 1.00 0.00 ATOM 309 N ILE 38 24.688 27.673 16.930 1.00 0.00 ATOM 310 CA ILE 38 25.949 28.192 16.405 1.00 0.00 ATOM 311 CB ILE 38 27.004 28.286 17.554 1.00 0.00 ATOM 312 CG1 ILE 38 26.522 29.285 18.613 1.00 0.00 ATOM 313 CG2 ILE 38 28.359 28.733 16.993 1.00 0.00 ATOM 314 CD1 ILE 38 27.399 29.358 19.853 1.00 0.00 ATOM 315 O ILE 38 26.963 27.928 14.232 1.00 0.00 ATOM 316 C ILE 38 26.485 27.387 15.233 1.00 0.00 ATOM 317 N LEU 39 26.434 26.050 15.310 1.00 0.00 ATOM 318 CA LEU 39 26.881 25.256 14.176 1.00 0.00 ATOM 319 CB LEU 39 26.872 23.803 14.542 1.00 0.00 ATOM 320 CG LEU 39 27.873 23.302 15.594 1.00 0.00 ATOM 321 CD1 LEU 39 27.616 21.850 15.919 1.00 0.00 ATOM 322 CD2 LEU 39 29.334 23.479 15.142 1.00 0.00 ATOM 323 O LEU 39 26.512 25.625 11.866 1.00 0.00 ATOM 324 C LEU 39 26.034 25.520 12.960 1.00 0.00 ATOM 325 N SER 40 24.707 25.616 13.142 1.00 0.00 ATOM 326 CA SER 40 23.834 25.913 12.010 1.00 0.00 ATOM 327 CB SER 40 22.369 25.836 12.370 1.00 0.00 ATOM 328 OG SER 40 22.038 26.826 13.302 1.00 0.00 ATOM 329 O SER 40 24.099 27.472 10.150 1.00 0.00 ATOM 330 C SER 40 24.174 27.251 11.363 1.00 0.00 ATOM 331 N GLU 41 24.498 28.225 12.210 1.00 0.00 ATOM 332 CA GLU 41 24.779 29.559 11.694 1.00 0.00 ATOM 333 CB GLU 41 25.041 30.539 12.789 1.00 0.00 ATOM 334 CG GLU 41 25.023 31.986 12.334 1.00 0.00 ATOM 335 CD GLU 41 25.251 32.953 13.479 1.00 0.00 ATOM 336 OE1 GLU 41 24.793 32.659 14.604 1.00 0.00 ATOM 337 OE2 GLU 41 25.880 34.010 13.252 1.00 0.00 ATOM 338 O GLU 41 25.819 30.428 9.875 1.00 0.00 ATOM 339 C GLU 41 25.961 29.567 10.744 1.00 0.00 ATOM 340 N PHE 42 24.579 28.885 8.538 1.00 0.00 ATOM 341 CA PHE 42 23.171 28.578 8.323 1.00 0.00 ATOM 342 CB PHE 42 22.841 27.420 7.533 1.00 0.00 ATOM 343 CG PHE 42 23.384 26.065 7.964 1.00 0.00 ATOM 344 CD1 PHE 42 22.625 25.296 8.868 1.00 0.00 ATOM 345 CD2 PHE 42 24.616 25.585 7.543 1.00 0.00 ATOM 346 CE1 PHE 42 23.062 24.098 9.306 1.00 0.00 ATOM 347 CE2 PHE 42 25.073 24.361 7.975 1.00 0.00 ATOM 348 CZ PHE 42 24.288 23.618 8.904 1.00 0.00 ATOM 349 O PHE 42 21.791 30.545 8.171 1.00 0.00 ATOM 350 C PHE 42 22.340 29.725 8.909 1.00 0.00 ATOM 351 N ASN 43 22.304 29.682 10.309 1.00 0.00 ATOM 352 CA ASN 43 21.527 30.693 11.026 1.00 0.00 ATOM 353 CB ASN 43 21.934 32.008 10.469 1.00 0.00 ATOM 354 CG ASN 43 21.105 33.089 11.136 1.00 0.00 ATOM 355 ND2 ASN 43 21.147 34.310 10.590 1.00 0.00 ATOM 356 OD1 ASN 43 20.440 32.866 12.158 1.00 0.00 ATOM 357 O ASN 43 19.694 30.931 9.470 1.00 0.00 ATOM 358 C ASN 43 20.052 30.605 10.605 1.00 0.00 ATOM 359 N GLY 44 19.206 30.159 11.571 1.00 0.00 ATOM 360 CA GLY 44 17.783 30.017 11.313 1.00 0.00 ATOM 361 O GLY 44 16.156 28.559 10.338 1.00 0.00 ATOM 362 C GLY 44 17.350 28.779 10.545 1.00 0.00 ATOM 363 N LYS 45 18.305 27.958 10.130 1.00 0.00 ATOM 364 CA LYS 45 17.979 26.760 9.365 1.00 0.00 ATOM 365 CB LYS 45 18.971 26.552 8.194 1.00 0.00 ATOM 366 CG LYS 45 19.039 27.682 7.187 1.00 0.00 ATOM 367 CD LYS 45 17.676 28.154 6.718 1.00 0.00 ATOM 368 CE LYS 45 16.841 27.032 6.112 1.00 0.00 ATOM 369 NZ LYS 45 15.425 27.473 5.929 1.00 0.00 ATOM 370 O LYS 45 18.300 25.358 11.290 1.00 0.00 ATOM 371 C LYS 45 17.645 25.575 10.269 1.00 0.00 ATOM 372 N ASN 46 16.583 24.850 9.928 1.00 0.00 ATOM 373 CA ASN 46 16.211 23.665 10.692 1.00 0.00 ATOM 374 CB ASN 46 14.842 23.152 10.251 1.00 0.00 ATOM 375 CG ASN 46 14.366 21.993 11.109 1.00 0.00 ATOM 376 ND2 ASN 46 13.051 21.855 11.246 1.00 0.00 ATOM 377 OD1 ASN 46 15.175 21.222 11.631 1.00 0.00 ATOM 378 O ASN 46 17.290 22.159 9.049 1.00 0.00 ATOM 379 C ASN 46 17.193 22.535 10.260 1.00 0.00 ATOM 380 N VAL 47 17.936 22.019 11.248 1.00 0.00 ATOM 381 CA VAL 47 18.924 20.982 11.000 1.00 0.00 ATOM 382 CB VAL 47 20.374 21.487 11.124 1.00 0.00 ATOM 383 CG1 VAL 47 20.648 22.579 10.101 1.00 0.00 ATOM 384 CG2 VAL 47 20.622 22.056 12.513 1.00 0.00 ATOM 385 O VAL 47 18.134 19.914 12.998 1.00 0.00 ATOM 386 C VAL 47 18.776 19.811 11.952 1.00 0.00 ATOM 387 N SER 48 19.382 18.695 11.567 1.00 0.00 ATOM 388 CA SER 48 19.422 17.508 12.410 1.00 0.00 ATOM 389 CB SER 48 18.849 16.301 11.667 1.00 0.00 ATOM 390 OG SER 48 18.935 15.129 12.457 1.00 0.00 ATOM 391 O SER 48 21.729 17.434 11.781 1.00 0.00 ATOM 392 C SER 48 20.909 17.359 12.694 1.00 0.00 ATOM 393 N ILE 49 21.252 17.170 13.961 1.00 0.00 ATOM 394 CA ILE 49 22.642 17.024 14.359 1.00 0.00 ATOM 395 CB ILE 49 23.043 18.177 15.347 1.00 0.00 ATOM 396 CG1 ILE 49 24.524 18.103 15.727 1.00 0.00 ATOM 397 CG2 ILE 49 22.194 18.160 16.616 1.00 0.00 ATOM 398 CD1 ILE 49 25.090 19.453 16.046 1.00 0.00 ATOM 399 O ILE 49 22.140 15.150 15.741 1.00 0.00 ATOM 400 C ILE 49 22.945 15.662 14.969 1.00 0.00 ATOM 401 N THR 50 24.036 15.051 14.526 1.00 0.00 ATOM 402 CA THR 50 24.545 13.871 15.206 1.00 0.00 ATOM 403 CB THR 50 24.126 12.586 14.471 1.00 0.00 ATOM 404 CG2 THR 50 22.654 12.600 14.090 1.00 0.00 ATOM 405 OG1 THR 50 24.878 12.494 13.238 1.00 0.00 ATOM 406 O THR 50 26.782 14.693 14.902 1.00 0.00 ATOM 407 C THR 50 26.045 13.876 15.468 1.00 0.00 ATOM 408 N VAL 51 26.494 12.868 16.254 1.00 0.00 ATOM 409 CA VAL 51 27.899 12.726 16.582 1.00 0.00 ATOM 410 CB VAL 51 28.105 12.845 18.125 1.00 0.00 ATOM 411 CG1 VAL 51 29.520 12.470 18.528 1.00 0.00 ATOM 412 CG2 VAL 51 27.762 14.267 18.583 1.00 0.00 ATOM 413 O VAL 51 27.615 10.344 16.317 1.00 0.00 ATOM 414 C VAL 51 28.348 11.325 16.189 1.00 0.00 ATOM 415 N LYS 52 29.564 11.214 15.686 1.00 0.00 ATOM 416 CA LYS 52 30.134 9.909 15.360 1.00 0.00 ATOM 417 CB LYS 52 30.904 9.894 14.023 1.00 0.00 ATOM 418 CG LYS 52 31.260 8.502 13.497 1.00 0.00 ATOM 419 CD LYS 52 32.083 8.391 12.228 1.00 0.00 ATOM 420 CE LYS 52 31.411 9.071 11.046 1.00 0.00 ATOM 421 NZ LYS 52 30.153 8.449 10.589 1.00 0.00 ATOM 422 O LYS 52 32.035 10.174 16.796 1.00 0.00 ATOM 423 C LYS 52 31.099 9.443 16.463 1.00 0.00 ATOM 424 N GLU 53 30.800 8.245 16.999 1.00 0.00 ATOM 425 CA GLU 53 31.619 7.662 18.055 1.00 0.00 ATOM 426 CB GLU 53 30.827 6.593 18.811 1.00 0.00 ATOM 427 CG GLU 53 29.569 7.114 19.487 1.00 0.00 ATOM 428 CD GLU 53 29.867 7.874 20.765 1.00 0.00 ATOM 429 OE1 GLU 53 31.036 7.868 21.201 1.00 0.00 ATOM 430 OE2 GLU 53 28.929 8.474 21.331 1.00 0.00 ATOM 431 O GLU 53 33.167 7.023 16.329 1.00 0.00 ATOM 432 C GLU 53 32.887 7.005 17.527 1.00 0.00 ATOM 433 N GLU 54 32.409 5.050 16.118 1.00 0.00 ATOM 434 CA GLU 54 32.136 5.375 14.731 1.00 0.00 ATOM 435 CB GLU 54 32.996 4.500 13.807 1.00 0.00 ATOM 436 CG GLU 54 34.293 3.997 14.439 1.00 0.00 ATOM 437 CD GLU 54 34.086 2.799 15.364 1.00 0.00 ATOM 438 OE1 GLU 54 33.614 1.748 14.878 1.00 0.00 ATOM 439 OE2 GLU 54 34.397 2.904 16.574 1.00 0.00 ATOM 440 O GLU 54 30.269 5.716 13.277 1.00 0.00 ATOM 441 C GLU 54 30.652 5.423 14.409 1.00 0.00 ATOM 442 N ASN 55 29.816 5.185 15.415 1.00 0.00 ATOM 443 CA ASN 55 28.375 5.202 15.214 1.00 0.00 ATOM 444 CB ASN 55 27.688 4.362 16.294 1.00 0.00 ATOM 445 CG ASN 55 27.995 2.883 16.165 1.00 0.00 ATOM 446 ND2 ASN 55 27.896 2.160 17.274 1.00 0.00 ATOM 447 OD1 ASN 55 28.317 2.398 15.079 1.00 0.00 ATOM 448 O ASN 55 28.360 7.504 15.896 1.00 0.00 ATOM 449 C ASN 55 27.796 6.614 15.259 1.00 0.00 ATOM 450 N GLU 56 26.754 6.843 14.467 1.00 0.00 ATOM 451 CA GLU 56 26.103 8.143 14.403 1.00 0.00 ATOM 452 CB GLU 56 25.527 8.393 13.007 1.00 0.00 ATOM 453 CG GLU 56 24.829 9.733 12.854 1.00 0.00 ATOM 454 CD GLU 56 24.256 9.938 11.465 1.00 0.00 ATOM 455 OE1 GLU 56 24.404 9.028 10.622 1.00 0.00 ATOM 456 OE2 GLU 56 23.661 11.009 11.219 1.00 0.00 ATOM 457 O GLU 56 24.010 7.411 15.310 1.00 0.00 ATOM 458 C GLU 56 24.960 8.192 15.399 1.00 0.00 ATOM 459 N LEU 57 25.080 9.072 16.385 1.00 0.00 ATOM 460 CA LEU 57 24.056 9.210 17.407 1.00 0.00 ATOM 461 CB LEU 57 24.676 8.988 18.788 1.00 0.00 ATOM 462 CG LEU 57 25.344 7.632 19.022 1.00 0.00 ATOM 463 CD1 LEU 57 26.023 7.593 20.382 1.00 0.00 ATOM 464 CD2 LEU 57 24.319 6.510 18.969 1.00 0.00 ATOM 465 O LEU 57 24.094 11.593 17.171 1.00 0.00 ATOM 466 C LEU 57 23.421 10.589 17.400 1.00 0.00 ATOM 467 N PRO 58 22.053 10.668 17.640 1.00 0.00 ATOM 468 CA PRO 58 21.372 11.960 17.580 1.00 0.00 ATOM 469 CB PRO 58 19.889 11.601 17.704 1.00 0.00 ATOM 470 CG PRO 58 19.879 10.303 18.435 1.00 0.00 ATOM 471 CD PRO 58 21.121 9.572 18.009 1.00 0.00 ATOM 472 O PRO 58 22.109 12.482 19.816 1.00 0.00 ATOM 473 C PRO 58 21.821 12.904 18.692 1.00 0.00 ATOM 474 N VAL 59 21.923 14.181 18.364 1.00 0.00 ATOM 475 CA VAL 59 22.297 15.240 19.296 1.00 0.00 ATOM 476 CB VAL 59 23.615 15.909 18.827 1.00 0.00 ATOM 477 CG1 VAL 59 24.050 16.978 19.820 1.00 0.00 ATOM 478 CG2 VAL 59 24.705 14.857 18.657 1.00 0.00 ATOM 479 O VAL 59 20.738 16.886 18.516 1.00 0.00 ATOM 480 C VAL 59 21.038 16.094 19.410 1.00 0.00 ATOM 481 N LYS 60 20.290 15.902 20.493 1.00 0.00 ATOM 482 CA LYS 60 18.996 16.566 20.660 1.00 0.00 ATOM 483 CB LYS 60 17.864 15.547 20.525 1.00 0.00 ATOM 484 CG LYS 60 17.788 14.882 19.159 1.00 0.00 ATOM 485 CD LYS 60 16.638 13.892 19.093 1.00 0.00 ATOM 486 CE LYS 60 16.667 13.096 17.795 1.00 0.00 ATOM 487 NZ LYS 60 15.512 12.165 17.687 1.00 0.00 ATOM 488 O LYS 60 17.885 17.888 22.184 1.00 0.00 ATOM 489 C LYS 60 18.851 17.231 21.982 1.00 0.00 ATOM 490 N GLY 61 19.791 17.280 23.011 1.00 0.00 ATOM 491 CA GLY 61 19.673 18.052 24.198 1.00 0.00 ATOM 492 O GLY 61 22.007 17.869 24.500 1.00 0.00 ATOM 493 C GLY 61 20.933 18.206 24.995 1.00 0.00 ATOM 494 N VAL 62 20.785 18.672 26.195 1.00 0.00 ATOM 495 CA VAL 62 21.927 18.806 27.080 1.00 0.00 ATOM 496 CB VAL 62 21.593 19.491 28.361 1.00 0.00 ATOM 497 CG1 VAL 62 22.860 19.625 29.210 1.00 0.00 ATOM 498 CG2 VAL 62 21.057 20.884 28.047 1.00 0.00 ATOM 499 O VAL 62 23.701 17.294 27.230 1.00 0.00 ATOM 500 C VAL 62 22.499 17.420 27.218 1.00 0.00 ATOM 501 N GLU 63 24.204 18.212 26.791 1.00 0.00 ATOM 502 CA GLU 63 25.019 17.009 26.879 1.00 0.00 ATOM 503 CB GLU 63 25.170 16.370 25.510 1.00 0.00 ATOM 504 CG GLU 63 26.004 15.111 25.549 1.00 0.00 ATOM 505 CD GLU 63 26.168 14.446 24.195 1.00 0.00 ATOM 506 OE1 GLU 63 26.183 15.129 23.155 1.00 0.00 ATOM 507 OE2 GLU 63 26.314 13.213 24.175 1.00 0.00 ATOM 508 O GLU 63 27.008 18.311 26.581 1.00 0.00 ATOM 509 C GLU 63 26.489 17.334 27.120 1.00 0.00 ATOM 510 N MET 64 27.201 16.404 27.748 1.00 0.00 ATOM 511 CA MET 64 28.619 16.590 28.040 1.00 0.00 ATOM 512 CB MET 64 28.972 15.717 29.274 1.00 0.00 ATOM 513 CG MET 64 30.412 15.543 29.610 1.00 0.00 ATOM 514 SD MET 64 30.496 14.070 30.714 1.00 0.00 ATOM 515 CE MET 64 31.856 13.170 30.011 1.00 0.00 ATOM 516 O MET 64 29.325 15.348 26.111 1.00 0.00 ATOM 517 C MET 64 29.483 16.349 26.809 1.00 0.00 ATOM 518 N ALA 65 30.389 17.274 26.552 1.00 0.00 ATOM 519 CA ALA 65 31.291 17.160 25.393 1.00 0.00 ATOM 520 CB ALA 65 32.213 18.401 25.309 1.00 0.00 ATOM 521 O ALA 65 32.811 15.729 26.463 1.00 0.00 ATOM 522 C ALA 65 32.181 15.953 25.456 1.00 0.00 ATOM 523 N GLY 66 32.248 15.181 24.399 1.00 0.00 ATOM 524 CA GLY 66 33.076 14.002 24.390 1.00 0.00 ATOM 525 O GLY 66 33.124 11.825 25.198 1.00 0.00 ATOM 526 C GLY 66 32.468 12.822 25.072 1.00 0.00 ATOM 527 N ASP 67 31.212 12.949 25.548 1.00 0.00 ATOM 528 CA ASP 67 30.535 11.850 26.255 1.00 0.00 ATOM 529 CB ASP 67 29.380 12.418 27.077 1.00 0.00 ATOM 530 CG ASP 67 28.725 11.369 27.959 1.00 0.00 ATOM 531 OD1 ASP 67 28.651 10.193 27.546 1.00 0.00 ATOM 532 OD2 ASP 67 28.263 11.728 29.064 1.00 0.00 ATOM 533 O ASP 67 29.321 11.346 24.309 1.00 0.00 ATOM 534 C ASP 67 30.013 10.890 25.221 1.00 0.00 ATOM 535 N PRO 68 30.304 9.529 25.188 1.00 0.00 ATOM 536 CA PRO 68 29.834 8.613 24.152 1.00 0.00 ATOM 537 CB PRO 68 30.572 7.307 24.500 1.00 0.00 ATOM 538 CG PRO 68 31.829 7.803 25.135 1.00 0.00 ATOM 539 CD PRO 68 31.334 8.917 26.020 1.00 0.00 ATOM 540 O PRO 68 27.718 8.158 23.048 1.00 0.00 ATOM 541 C PRO 68 28.278 8.433 24.132 1.00 0.00 ATOM 542 N LEU 69 27.652 8.559 25.280 1.00 0.00 ATOM 543 CA LEU 69 26.204 8.404 25.362 1.00 0.00 ATOM 544 CB LEU 69 25.837 7.130 26.129 1.00 0.00 ATOM 545 CG LEU 69 26.327 5.812 25.526 1.00 0.00 ATOM 546 CD1 LEU 69 26.048 4.653 26.470 1.00 0.00 ATOM 547 CD2 LEU 69 25.624 5.531 24.206 1.00 0.00 ATOM 548 O LEU 69 26.258 10.343 26.774 1.00 0.00 ATOM 549 C LEU 69 25.574 9.592 26.082 1.00 0.00 ATOM 550 N GLU 70 24.282 9.800 25.844 1.00 0.00 ATOM 551 CA GLU 70 23.566 10.905 26.474 1.00 0.00 ATOM 552 CB GLU 70 23.571 12.135 25.515 1.00 0.00 ATOM 553 CG GLU 70 22.827 11.888 24.194 1.00 0.00 ATOM 554 CD GLU 70 23.013 13.002 23.151 1.00 0.00 ATOM 555 OE1 GLU 70 22.398 14.089 23.298 1.00 0.00 ATOM 556 OE2 GLU 70 23.738 12.761 22.160 1.00 0.00 ATOM 557 O GLU 70 22.146 11.459 28.279 1.00 0.00 ATOM 558 C GLU 70 22.669 10.541 27.638 1.00 0.00 ATOM 559 N HIS 71 22.663 9.178 27.912 1.00 0.00 ATOM 560 CA HIS 71 21.821 8.715 29.041 1.00 0.00 ATOM 561 CB HIS 71 22.141 7.246 29.337 1.00 0.00 ATOM 562 CG HIS 71 21.347 6.665 30.467 1.00 0.00 ATOM 563 CD2 HIS 71 21.732 6.206 31.681 1.00 0.00 ATOM 564 ND1 HIS 71 19.979 6.495 30.408 1.00 0.00 ATOM 565 CE1 HIS 71 19.558 5.955 31.538 1.00 0.00 ATOM 566 NE2 HIS 71 20.601 5.771 32.327 1.00 0.00 ATOM 567 O HIS 71 20.889 9.972 30.861 1.00 0.00 ATOM 568 C HIS 71 21.911 9.559 30.313 1.00 0.00 ATOM 569 N HIS 72 23.120 9.988 30.659 1.00 0.00 ATOM 570 CA HIS 72 23.330 10.776 31.868 1.00 0.00 ATOM 571 CB HIS 72 24.800 10.351 32.438 1.00 0.00 ATOM 572 CG HIS 72 25.041 8.891 32.622 1.00 0.00 ATOM 573 CD2 HIS 72 26.075 8.103 32.212 1.00 0.00 ATOM 574 ND1 HIS 72 24.167 8.067 33.306 1.00 0.00 ATOM 575 CE1 HIS 72 24.659 6.834 33.312 1.00 0.00 ATOM 576 NE2 HIS 72 25.815 6.829 32.662 1.00 0.00 ATOM 577 O HIS 72 22.746 12.912 32.775 1.00 0.00 ATOM 578 C HIS 72 23.106 12.282 31.780 1.00 0.00 ATOM 579 N HIS 73 23.356 12.868 30.615 1.00 0.00 ATOM 580 CA HIS 73 23.223 14.314 30.464 1.00 0.00 ATOM 581 CB HIS 73 24.565 14.873 29.987 1.00 0.00 ATOM 582 CG HIS 73 25.691 14.649 30.946 1.00 0.00 ATOM 583 CD2 HIS 73 26.662 13.704 30.975 1.00 0.00 ATOM 584 ND1 HIS 73 25.900 15.446 32.052 1.00 0.00 ATOM 585 CE1 HIS 73 26.952 15.005 32.717 1.00 0.00 ATOM 586 NE2 HIS 73 27.433 13.948 32.084 1.00 0.00 ATOM 587 O HIS 73 21.820 16.030 29.570 1.00 0.00 ATOM 588 C HIS 73 22.121 14.836 29.549 1.00 0.00 ATOM 589 N HIS 74 21.358 14.007 28.532 1.00 0.00 ATOM 590 CA HIS 74 20.426 14.641 27.599 1.00 0.00 ATOM 591 CB HIS 74 19.990 13.694 26.467 1.00 0.00 ATOM 592 CG HIS 74 19.195 12.488 26.901 1.00 0.00 ATOM 593 CD2 HIS 74 17.872 12.321 27.166 1.00 0.00 ATOM 594 ND1 HIS 74 19.760 11.243 27.031 1.00 0.00 ATOM 595 CE1 HIS 74 18.838 10.366 27.394 1.00 0.00 ATOM 596 NE2 HIS 74 17.679 10.992 27.470 1.00 0.00 ATOM 597 O HIS 74 18.549 16.135 27.705 1.00 0.00 ATOM 598 C HIS 74 19.222 15.291 28.297 1.00 0.00 ATOM 599 N HIS 75 18.990 14.945 29.560 1.00 0.00 ATOM 600 CA HIS 75 17.872 15.507 30.313 1.00 0.00 ATOM 601 CB HIS 75 17.334 14.469 31.310 1.00 0.00 ATOM 602 CG HIS 75 16.521 13.408 30.643 1.00 0.00 ATOM 603 CD2 HIS 75 16.751 12.086 30.435 1.00 0.00 ATOM 604 ND1 HIS 75 15.308 13.687 30.045 1.00 0.00 ATOM 605 CE1 HIS 75 14.821 12.576 29.508 1.00 0.00 ATOM 606 NE2 HIS 75 15.668 11.590 29.745 1.00 0.00 ATOM 607 O HIS 75 17.353 17.410 31.616 1.00 0.00 ATOM 608 C HIS 75 18.207 16.829 30.989 1.00 0.00 ATOM 609 N HIS 76 19.469 17.267 30.934 1.00 0.00 ATOM 610 CA HIS 76 19.885 18.472 31.634 1.00 0.00 ATOM 611 CB HIS 76 21.030 18.050 32.623 1.00 0.00 ATOM 612 CG HIS 76 21.603 19.188 33.413 1.00 0.00 ATOM 613 CD2 HIS 76 22.834 19.750 33.398 1.00 0.00 ATOM 614 ND1 HIS 76 20.878 19.877 34.362 1.00 0.00 ATOM 615 CE1 HIS 76 21.640 20.814 34.899 1.00 0.00 ATOM 616 NE2 HIS 76 22.831 20.758 34.331 1.00 0.00 ATOM 617 O HIS 76 20.179 20.801 31.198 1.00 0.00 ATOM 618 C HIS 76 19.763 19.741 30.778 1.00 0.00 TER END