PFRMAT TS TARGET T0411 AUTHOR 4008-1775-0004 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another 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 METHOD Model METHOD 1 try6-opt3 optimized from a chimera of metaserver models METHOD and our automatically generated try1 model METHOD The metaserver models were based mainly on Phyre_de_novo_TS1 METHOD METHOD 2 MQAC1-try3 A metaserver model based mainly on Phyre_de_novo_TS1 METHOD METHOD 3 try1-opt3.gromacs0 Our fully automatic model, tweaked by METHOD gromacs to reduce clashes and breaks METHOD METHOD 4 try4-opt3 Optimized from try3-opt3 which was generated from alignments METHOD METHOD 5 try2-opt3 generated from alignments. REMARK 6 REMARK 6 T0411 model 2 Sat Jun 7 10:52:49 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 34.559 26.326 6.046 1.00 0.00 ATOM 2 CA MET 1 35.379 26.870 7.153 1.00 0.00 ATOM 3 CB MET 1 36.857 26.493 6.953 1.00 0.00 ATOM 4 CG MET 1 37.141 25.006 7.170 1.00 0.00 ATOM 5 SD MET 1 38.872 24.522 6.898 1.00 0.00 ATOM 6 CE MET 1 39.502 25.336 8.393 1.00 0.00 ATOM 7 O MET 1 35.599 28.983 8.209 1.00 0.00 ATOM 8 C MET 1 35.276 28.359 7.199 1.00 0.00 ATOM 9 N TRP 2 35.311 29.064 6.004 1.00 0.00 ATOM 10 CA TRP 2 35.175 30.488 5.984 1.00 0.00 ATOM 11 CB TRP 2 35.562 31.039 4.613 1.00 0.00 ATOM 12 CG TRP 2 37.041 31.051 4.361 1.00 0.00 ATOM 13 CD1 TRP 2 37.864 29.960 4.198 1.00 0.00 ATOM 14 CD2 TRP 2 37.881 32.208 4.263 1.00 0.00 ATOM 15 CE2 TRP 2 39.197 31.750 4.009 1.00 0.00 ATOM 16 CE3 TRP 2 37.646 33.596 4.330 1.00 0.00 ATOM 17 NE1 TRP 2 39.160 30.379 3.979 1.00 0.00 ATOM 18 CZ2 TRP 2 40.283 32.632 3.855 1.00 0.00 ATOM 19 CZ3 TRP 2 38.723 34.467 4.169 1.00 0.00 ATOM 20 CH2 TRP 2 40.028 33.977 3.935 1.00 0.00 ATOM 21 O TRP 2 32.833 30.130 5.835 1.00 0.00 ATOM 22 C TRP 2 33.750 30.842 6.235 1.00 0.00 ATOM 23 N LYS 3 33.546 31.974 6.931 1.00 0.00 ATOM 24 CA LYS 3 32.234 32.422 7.282 1.00 0.00 ATOM 25 CB LYS 3 32.236 33.638 8.217 1.00 0.00 ATOM 26 CG LYS 3 32.746 34.919 7.553 1.00 0.00 ATOM 27 CD LYS 3 32.795 36.121 8.497 1.00 0.00 ATOM 28 CE LYS 3 33.259 37.411 7.820 1.00 0.00 ATOM 29 NZ LYS 3 33.242 38.527 8.793 1.00 0.00 ATOM 30 O LYS 3 32.152 32.831 4.946 1.00 0.00 ATOM 31 C LYS 3 31.538 32.750 6.010 1.00 0.00 ATOM 32 N ALA 4 30.205 32.906 6.089 1.00 0.00 ATOM 33 CA ALA 4 29.453 33.150 4.903 1.00 0.00 ATOM 34 CB ALA 4 29.785 34.544 4.334 1.00 0.00 ATOM 35 O ALA 4 29.802 32.342 2.670 1.00 0.00 ATOM 36 C ALA 4 29.855 32.096 3.876 1.00 0.00 ATOM 37 N VAL 5 30.299 30.939 4.355 1.00 0.00 ATOM 38 CA VAL 5 30.688 29.911 3.488 1.00 0.00 ATOM 39 CB VAL 5 31.083 28.617 4.153 1.00 0.00 ATOM 40 CG1 VAL 5 31.397 27.572 3.098 1.00 0.00 ATOM 41 CG2 VAL 5 32.306 28.860 5.034 1.00 0.00 ATOM 42 O VAL 5 29.708 29.691 1.356 1.00 0.00 ATOM 43 C VAL 5 29.549 29.644 2.573 1.00 0.00 ATOM 44 N MET 6 28.350 29.398 3.129 1.00 0.00 ATOM 45 CA MET 6 27.243 29.147 2.259 1.00 0.00 ATOM 46 CB MET 6 26.046 28.459 2.936 1.00 0.00 ATOM 47 CG MET 6 26.375 27.070 3.489 1.00 0.00 ATOM 48 SD MET 6 26.962 25.883 2.245 1.00 0.00 ATOM 49 CE MET 6 25.374 25.769 1.371 1.00 0.00 ATOM 50 O MET 6 26.763 31.457 2.470 1.00 0.00 ATOM 51 C MET 6 26.728 30.454 1.771 1.00 0.00 ATOM 52 N ASN 7 26.305 30.484 0.505 1.00 0.00 ATOM 53 CA ASN 7 25.694 31.625 -0.106 1.00 0.00 ATOM 54 CB ASN 7 24.587 32.249 0.762 1.00 0.00 ATOM 55 CG ASN 7 23.470 31.226 0.906 1.00 0.00 ATOM 56 ND2 ASN 7 22.705 31.222 2.030 1.00 0.00 ATOM 57 OD1 ASN 7 23.247 30.403 0.019 1.00 0.00 ATOM 58 O ASN 7 26.720 33.217 -1.505 1.00 0.00 ATOM 59 C ASN 7 26.737 32.654 -0.413 1.00 0.00 ATOM 60 N ALA 8 27.695 32.962 0.314 1.00 0.00 ATOM 61 CA ALA 8 28.785 33.826 0.002 1.00 0.00 ATOM 62 CB ALA 8 29.709 34.103 1.094 1.00 0.00 ATOM 63 O ALA 8 29.823 33.628 -2.131 1.00 0.00 ATOM 64 C ALA 8 29.572 33.112 -1.043 1.00 0.00 ATOM 65 N TRP 9 29.913 31.845 -0.736 1.00 0.00 ATOM 66 CA TRP 9 30.709 31.032 -1.605 1.00 0.00 ATOM 67 CB TRP 9 31.239 29.810 -0.934 1.00 0.00 ATOM 68 CG TRP 9 32.372 30.093 0.006 1.00 0.00 ATOM 69 CD1 TRP 9 32.677 31.288 0.596 1.00 0.00 ATOM 70 CD2 TRP 9 33.343 29.154 0.477 1.00 0.00 ATOM 71 CE2 TRP 9 34.207 29.850 1.351 1.00 0.00 ATOM 72 CE3 TRP 9 33.565 27.790 0.247 1.00 0.00 ATOM 73 NE1 TRP 9 33.778 31.150 1.404 1.00 0.00 ATOM 74 CZ2 TRP 9 35.282 29.226 1.995 1.00 0.00 ATOM 75 CZ3 TRP 9 34.633 27.169 0.890 1.00 0.00 ATOM 76 CH2 TRP 9 35.478 27.890 1.752 1.00 0.00 ATOM 77 O TRP 9 30.397 30.670 -3.916 1.00 0.00 ATOM 78 C TRP 9 29.914 30.627 -2.787 1.00 0.00 ATOM 79 N ASN 10 28.660 30.205 -2.565 1.00 0.00 ATOM 80 CA ASN 10 27.907 29.832 -3.716 1.00 0.00 ATOM 81 CB ASN 10 26.575 29.131 -3.391 1.00 0.00 ATOM 82 CG ASN 10 26.893 27.744 -2.850 1.00 0.00 ATOM 83 ND2 ASN 10 25.966 27.088 -2.102 1.00 0.00 ATOM 84 OD1 ASN 10 27.975 27.207 -3.080 1.00 0.00 ATOM 85 O ASN 10 27.362 32.116 -3.631 1.00 0.00 ATOM 86 C ASN 10 27.576 31.135 -4.325 1.00 0.00 ATOM 87 N GLY 11 27.610 31.255 -5.642 1.00 0.00 ATOM 88 CA GLY 11 27.314 32.563 -6.127 1.00 0.00 ATOM 89 O GLY 11 28.841 33.797 -7.448 1.00 0.00 ATOM 90 C GLY 11 28.661 33.125 -6.434 1.00 0.00 ATOM 91 N THR 12 29.668 32.799 -5.601 1.00 0.00 ATOM 92 CA THR 12 30.991 33.231 -5.942 1.00 0.00 ATOM 93 CB THR 12 31.768 33.745 -4.763 1.00 0.00 ATOM 94 CG2 THR 12 31.040 34.962 -4.166 1.00 0.00 ATOM 95 OG1 THR 12 31.880 32.733 -3.773 1.00 0.00 ATOM 96 O THR 12 32.871 31.957 -6.659 1.00 0.00 ATOM 97 C THR 12 31.645 32.032 -6.570 1.00 0.00 ATOM 98 N GLU 13 30.838 31.033 -6.911 1.00 0.00 ATOM 99 CA GLU 13 31.357 29.819 -7.531 1.00 0.00 ATOM 100 CB GLU 13 31.892 29.993 -8.965 1.00 0.00 ATOM 101 CG GLU 13 30.834 30.483 -9.956 1.00 0.00 ATOM 102 CD GLU 13 31.487 30.584 -11.327 1.00 0.00 ATOM 103 OE1 GLU 13 32.719 30.334 -11.416 1.00 0.00 ATOM 104 OE2 GLU 13 30.762 30.913 -12.304 1.00 0.00 ATOM 105 O GLU 13 33.424 28.689 -7.285 1.00 0.00 ATOM 106 C GLU 13 32.443 29.181 -6.728 1.00 0.00 ATOM 107 N SER 14 32.301 29.152 -5.394 1.00 0.00 ATOM 108 CA SER 14 33.321 28.507 -4.626 1.00 0.00 ATOM 109 CB SER 14 33.188 28.779 -3.165 1.00 0.00 ATOM 110 OG SER 14 33.500 30.149 -2.911 1.00 0.00 ATOM 111 O SER 14 31.966 26.604 -5.058 1.00 0.00 ATOM 112 C SER 14 33.045 27.040 -4.661 1.00 0.00 ATOM 113 N GLN 15 33.995 26.230 -4.239 1.00 0.00 ATOM 114 CA GLN 15 33.779 24.787 -4.198 1.00 0.00 ATOM 115 CB GLN 15 34.941 24.060 -4.884 1.00 0.00 ATOM 116 CG GLN 15 35.214 24.494 -6.314 1.00 0.00 ATOM 117 CD GLN 15 33.972 24.452 -7.174 1.00 0.00 ATOM 118 OE1 GLN 15 33.264 23.441 -7.218 1.00 0.00 ATOM 119 NE2 GLN 15 33.696 25.552 -7.870 1.00 0.00 ATOM 120 O GLN 15 34.456 24.561 -1.904 1.00 0.00 ATOM 121 C GLN 15 33.639 24.258 -2.772 1.00 0.00 ATOM 122 N SER 16 32.596 23.468 -2.536 1.00 0.00 ATOM 123 CA SER 16 32.377 22.877 -1.219 1.00 0.00 ATOM 124 CB SER 16 31.974 23.943 -0.197 1.00 0.00 ATOM 125 OG SER 16 30.657 24.407 -0.433 1.00 0.00 ATOM 126 O SER 16 30.405 21.906 -2.172 1.00 0.00 ATOM 127 C SER 16 31.251 21.860 -1.278 1.00 0.00 ATOM 128 N LYS 17 31.258 20.932 -0.330 1.00 0.00 ATOM 129 CA LYS 17 30.236 19.898 -0.252 1.00 0.00 ATOM 130 CB LYS 17 30.772 18.583 -0.832 1.00 0.00 ATOM 131 CG LYS 17 31.121 18.575 -2.307 1.00 0.00 ATOM 132 CD LYS 17 31.634 17.187 -2.682 1.00 0.00 ATOM 133 CE LYS 17 32.036 17.096 -4.141 1.00 0.00 ATOM 134 NZ LYS 17 32.467 15.709 -4.477 1.00 0.00 ATOM 135 O LYS 17 30.701 19.754 2.087 1.00 0.00 ATOM 136 C LYS 17 29.869 19.623 1.193 1.00 0.00 ATOM 137 N ASN 18 28.620 19.159 1.387 1.00 0.00 ATOM 138 CA ASN 18 28.189 18.790 2.706 1.00 0.00 ATOM 139 CB ASN 18 27.383 20.254 3.146 1.00 0.00 ATOM 140 CG ASN 18 27.945 21.557 2.585 1.00 0.00 ATOM 141 ND2 ASN 18 27.160 22.217 1.757 1.00 0.00 ATOM 142 OD1 ASN 18 29.055 21.970 2.929 1.00 0.00 ATOM 143 O ASN 18 27.141 16.732 3.271 1.00 0.00 ATOM 144 C ASN 18 27.148 17.723 2.545 1.00 0.00 ATOM 145 N VAL 19 26.245 17.905 1.563 1.00 0.00 ATOM 146 CA VAL 19 25.139 17.013 1.364 1.00 0.00 ATOM 147 CB VAL 19 24.330 17.345 0.146 1.00 0.00 ATOM 148 CG1 VAL 19 23.241 16.315 -0.163 1.00 0.00 ATOM 149 CG2 VAL 19 23.594 18.684 0.249 1.00 0.00 ATOM 150 O VAL 19 24.987 14.686 1.771 1.00 0.00 ATOM 151 C VAL 19 25.598 15.603 1.226 1.00 0.00 ATOM 152 N SER 20 26.699 15.388 0.492 1.00 0.00 ATOM 153 CA SER 20 27.138 14.050 0.253 1.00 0.00 ATOM 154 CB SER 20 28.329 14.002 -0.690 1.00 0.00 ATOM 155 OG SER 20 29.370 14.836 -0.221 1.00 0.00 ATOM 156 O SER 20 27.066 12.155 1.722 1.00 0.00 ATOM 157 C SER 20 27.460 13.308 1.546 1.00 0.00 ATOM 158 N ASN 21 28.173 13.972 2.449 1.00 0.00 ATOM 159 CA ASN 21 28.523 13.368 3.688 1.00 0.00 ATOM 160 CB ASN 21 30.044 13.462 3.831 1.00 0.00 ATOM 161 CG ASN 21 30.762 12.721 2.728 1.00 0.00 ATOM 162 ND2 ASN 21 31.571 13.443 1.950 1.00 0.00 ATOM 163 OD1 ASN 21 30.571 11.501 2.556 1.00 0.00 ATOM 164 O ASN 21 28.050 13.511 6.037 1.00 0.00 ATOM 165 C ASN 21 27.637 13.682 4.889 1.00 0.00 ATOM 166 N ILE 22 26.417 14.140 4.624 1.00 0.00 ATOM 167 CA ILE 22 25.512 14.461 5.677 1.00 0.00 ATOM 168 CB ILE 22 25.204 16.006 5.700 1.00 0.00 ATOM 169 CG1 ILE 22 26.522 16.758 5.915 1.00 0.00 ATOM 170 CG2 ILE 22 24.170 16.383 6.806 1.00 0.00 ATOM 171 CD1 ILE 22 26.434 18.257 5.768 1.00 0.00 ATOM 172 O ILE 22 23.572 13.888 4.441 1.00 0.00 ATOM 173 C ILE 22 24.154 13.875 5.526 1.00 0.00 ATOM 174 N GLN 23 23.622 13.348 6.624 1.00 0.00 ATOM 175 CA GLN 23 22.295 12.744 6.605 1.00 0.00 ATOM 176 CB GLN 23 21.996 12.082 7.962 1.00 0.00 ATOM 177 CG GLN 23 22.918 10.904 8.282 1.00 0.00 ATOM 178 CD GLN 23 22.674 9.820 7.241 1.00 0.00 ATOM 179 OE1 GLN 23 21.545 9.375 7.043 1.00 0.00 ATOM 180 NE2 GLN 23 23.721 9.338 6.519 1.00 0.00 ATOM 181 O GLN 23 21.478 14.914 7.040 1.00 0.00 ATOM 182 C GLN 23 21.313 13.831 6.477 1.00 0.00 ATOM 183 N SER 24 20.251 13.564 5.725 1.00 0.00 ATOM 184 CA SER 24 19.201 14.556 5.518 1.00 0.00 ATOM 185 CB SER 24 19.180 15.063 4.067 1.00 0.00 ATOM 186 OG SER 24 18.595 14.057 3.237 1.00 0.00 ATOM 187 O SER 24 17.567 12.812 5.734 1.00 0.00 ATOM 188 C SER 24 17.910 13.950 6.059 1.00 0.00 ATOM 189 N TYR 25 17.196 14.711 6.881 1.00 0.00 ATOM 190 CA TYR 25 15.974 14.237 7.437 1.00 0.00 ATOM 191 CB TYR 25 16.006 14.273 8.983 1.00 0.00 ATOM 192 CG TYR 25 16.642 13.107 9.704 1.00 0.00 ATOM 193 CD1 TYR 25 16.542 13.009 11.088 1.00 0.00 ATOM 194 CD2 TYR 25 17.345 12.115 9.019 1.00 0.00 ATOM 195 CE1 TYR 25 17.125 11.959 11.778 1.00 0.00 ATOM 196 CE2 TYR 25 17.937 11.053 9.706 1.00 0.00 ATOM 197 CZ TYR 25 17.820 10.987 11.086 1.00 0.00 ATOM 198 OH TYR 25 18.394 9.956 11.786 1.00 0.00 ATOM 199 O TYR 25 14.852 16.253 6.920 1.00 0.00 ATOM 200 C TYR 25 14.835 15.021 6.921 1.00 0.00 ATOM 201 N SER 26 13.804 14.315 6.465 1.00 0.00 ATOM 202 CA SER 26 12.615 14.971 5.932 1.00 0.00 ATOM 203 CB SER 26 11.688 13.997 5.186 1.00 0.00 ATOM 204 OG SER 26 11.081 13.100 6.105 1.00 0.00 ATOM 205 O SER 26 12.048 15.411 8.189 1.00 0.00 ATOM 206 C SER 26 11.806 15.611 6.998 1.00 0.00 ATOM 207 N PHE 27 10.819 16.398 6.585 1.00 0.00 ATOM 208 CA PHE 27 9.950 17.082 7.535 1.00 0.00 ATOM 209 CB PHE 27 8.838 17.740 6.361 1.00 0.00 ATOM 210 CG PHE 27 9.352 17.827 4.956 1.00 0.00 ATOM 211 CD1 PHE 27 9.432 16.688 4.159 1.00 0.00 ATOM 212 CD2 PHE 27 9.778 19.040 4.434 1.00 0.00 ATOM 213 CE1 PHE 27 9.930 16.761 2.862 1.00 0.00 ATOM 214 CE2 PHE 27 10.278 19.121 3.140 1.00 0.00 ATOM 215 CZ PHE 27 10.354 17.982 2.353 1.00 0.00 ATOM 216 O PHE 27 8.947 16.293 9.567 1.00 0.00 ATOM 217 C PHE 27 9.161 16.081 8.373 1.00 0.00 ATOM 218 N GLU 28 8.732 14.990 7.746 1.00 0.00 ATOM 219 CA GLU 28 7.995 14.001 8.439 1.00 0.00 ATOM 220 CB GLU 28 7.567 12.824 7.545 1.00 0.00 ATOM 221 CG GLU 28 6.501 13.199 6.513 1.00 0.00 ATOM 222 CD GLU 28 6.264 11.988 5.621 1.00 0.00 ATOM 223 OE1 GLU 28 6.983 10.970 5.802 1.00 0.00 ATOM 224 OE2 GLU 28 5.361 12.066 4.746 1.00 0.00 ATOM 225 O GLU 28 8.364 13.138 10.606 1.00 0.00 ATOM 226 C GLU 28 8.818 13.368 9.485 1.00 0.00 ATOM 227 N ASP 29 10.065 13.069 9.136 1.00 0.00 ATOM 228 CA ASP 29 10.984 12.442 10.080 1.00 0.00 ATOM 229 CB ASP 29 12.380 12.236 9.468 1.00 0.00 ATOM 230 CG ASP 29 12.274 11.146 8.411 1.00 0.00 ATOM 231 OD1 ASP 29 11.219 10.457 8.377 1.00 0.00 ATOM 232 OD2 ASP 29 13.244 10.991 7.623 1.00 0.00 ATOM 233 O ASP 29 10.952 12.874 12.440 1.00 0.00 ATOM 234 C ASP 29 11.095 13.339 11.308 1.00 0.00 ATOM 235 N MET 30 11.348 14.625 11.085 1.00 0.00 ATOM 236 CA MET 30 11.468 15.545 12.166 1.00 0.00 ATOM 237 CB MET 30 11.838 16.969 11.736 1.00 0.00 ATOM 238 CG MET 30 12.075 17.919 12.911 1.00 0.00 ATOM 239 SD MET 30 12.515 19.616 12.432 1.00 0.00 ATOM 240 CE MET 30 10.851 20.050 11.847 1.00 0.00 ATOM 241 O MET 30 10.293 15.807 14.191 1.00 0.00 ATOM 242 C MET 30 10.249 15.682 12.966 1.00 0.00 ATOM 243 N LYS 31 9.107 15.662 12.286 1.00 0.00 ATOM 244 CA LYS 31 7.821 15.787 12.962 1.00 0.00 ATOM 245 CB LYS 31 6.600 15.931 12.038 1.00 0.00 ATOM 246 CG LYS 31 5.290 16.170 12.792 1.00 0.00 ATOM 247 CD LYS 31 4.086 16.390 11.874 1.00 0.00 ATOM 248 CE LYS 31 2.770 16.598 12.627 1.00 0.00 ATOM 249 NZ LYS 31 1.662 16.790 11.666 1.00 0.00 ATOM 250 O LYS 31 7.140 14.846 15.066 1.00 0.00 ATOM 251 C LYS 31 7.600 14.638 13.943 1.00 0.00 ATOM 252 N ARG 32 7.938 13.462 13.497 1.00 0.00 ATOM 253 CA ARG 32 7.771 12.291 14.352 1.00 0.00 ATOM 254 CB ARG 32 8.184 10.998 13.683 1.00 0.00 ATOM 255 CG ARG 32 7.070 10.364 12.857 1.00 0.00 ATOM 256 CD ARG 32 7.449 8.987 12.358 1.00 0.00 ATOM 257 NE ARG 32 8.353 9.034 11.214 1.00 0.00 ATOM 258 CZ ARG 32 9.625 8.637 11.213 1.00 0.00 ATOM 259 NH1 ARG 32 10.191 8.159 12.313 1.00 0.00 ATOM 260 NH2 ARG 32 10.323 8.685 10.082 1.00 0.00 ATOM 261 O ARG 32 8.237 12.258 16.677 1.00 0.00 ATOM 262 C ARG 32 8.673 12.405 15.535 1.00 0.00 ATOM 263 N ILE 33 9.942 12.782 15.293 1.00 0.00 ATOM 264 CA ILE 33 10.886 12.850 16.365 1.00 0.00 ATOM 265 CB ILE 33 12.314 13.037 15.902 1.00 0.00 ATOM 266 CG1 ILE 33 12.881 11.819 15.153 1.00 0.00 ATOM 267 CG2 ILE 33 13.303 13.298 17.052 1.00 0.00 ATOM 268 CD1 ILE 33 14.212 12.099 14.455 1.00 0.00 ATOM 269 O ILE 33 10.516 13.651 18.594 1.00 0.00 ATOM 270 C ILE 33 10.490 13.908 17.391 1.00 0.00 ATOM 271 N VAL 34 10.047 15.045 16.902 1.00 0.00 ATOM 272 CA VAL 34 9.588 16.094 17.805 1.00 0.00 ATOM 273 CB VAL 34 9.162 17.370 17.131 1.00 0.00 ATOM 274 CG1 VAL 34 8.566 18.398 18.095 1.00 0.00 ATOM 275 CG2 VAL 34 10.308 18.099 16.427 1.00 0.00 ATOM 276 O VAL 34 8.357 15.831 19.846 1.00 0.00 ATOM 277 C VAL 34 8.405 15.605 18.629 1.00 0.00 ATOM 278 N GLY 35 7.504 14.863 17.992 1.00 0.00 ATOM 279 CA GLY 35 6.380 14.274 18.737 1.00 0.00 ATOM 280 O GLY 35 6.233 13.206 20.864 1.00 0.00 ATOM 281 C GLY 35 6.862 13.352 19.815 1.00 0.00 ATOM 282 N LYS 36 8.003 12.698 19.545 1.00 0.00 ATOM 283 CA LYS 36 8.687 11.766 20.396 1.00 0.00 ATOM 284 CB LYS 36 9.738 10.955 19.598 1.00 0.00 ATOM 285 CG LYS 36 9.347 10.353 18.259 1.00 0.00 ATOM 286 CD LYS 36 8.622 9.038 18.419 1.00 0.00 ATOM 287 CE LYS 36 8.809 8.062 17.279 1.00 0.00 ATOM 288 NZ LYS 36 8.003 8.364 16.075 1.00 0.00 ATOM 289 O LYS 36 9.384 11.897 22.661 1.00 0.00 ATOM 290 C LYS 36 9.084 12.504 21.631 1.00 0.00 ATOM 291 N HIS 37 9.032 13.847 21.561 1.00 0.00 ATOM 292 CA HIS 37 9.509 14.740 22.578 1.00 0.00 ATOM 293 CB HIS 37 9.081 14.322 23.995 1.00 0.00 ATOM 294 CG HIS 37 7.593 14.205 24.147 1.00 0.00 ATOM 295 CD2 HIS 37 6.804 13.120 24.329 1.00 0.00 ATOM 296 ND1 HIS 37 6.728 15.279 24.119 1.00 0.00 ATOM 297 CE1 HIS 37 5.502 14.882 24.272 1.00 0.00 ATOM 298 NE2 HIS 37 5.509 13.570 24.403 1.00 0.00 ATOM 299 O HIS 37 11.677 15.168 23.469 1.00 0.00 ATOM 300 C HIS 37 11.001 14.770 22.521 1.00 0.00 ATOM 301 N ASP 38 11.532 14.351 21.360 1.00 0.00 ATOM 302 CA ASP 38 12.910 14.506 20.991 1.00 0.00 ATOM 303 CB ASP 38 13.269 15.967 20.671 1.00 0.00 ATOM 304 CG ASP 38 12.461 16.395 19.455 1.00 0.00 ATOM 305 OD1 ASP 38 12.464 15.639 18.447 1.00 0.00 ATOM 306 OD2 ASP 38 11.830 17.483 19.516 1.00 0.00 ATOM 307 O ASP 38 14.913 14.668 22.184 1.00 0.00 ATOM 308 C ASP 38 13.858 14.052 22.046 1.00 0.00 ATOM 309 N PRO 39 13.609 12.978 22.739 1.00 0.00 ATOM 310 CA PRO 39 14.550 12.522 23.720 1.00 0.00 ATOM 311 CB PRO 39 13.781 11.392 24.460 1.00 0.00 ATOM 312 CG PRO 39 12.338 11.551 23.970 1.00 0.00 ATOM 313 CD PRO 39 12.462 12.084 22.581 1.00 0.00 ATOM 314 O PRO 39 16.017 11.680 22.001 1.00 0.00 ATOM 315 C PRO 39 15.913 12.291 23.070 1.00 0.00 ATOM 316 N ASN 40 16.946 12.787 23.734 1.00 0.00 ATOM 317 CA ASN 40 18.317 12.694 23.248 1.00 0.00 ATOM 318 CB ASN 40 18.761 11.225 23.141 1.00 0.00 ATOM 319 CG ASN 40 18.905 10.673 24.552 1.00 0.00 ATOM 320 ND2 ASN 40 18.753 9.340 24.769 1.00 0.00 ATOM 321 OD1 ASN 40 19.155 11.415 25.501 1.00 0.00 ATOM 322 O ASN 40 19.312 12.789 21.067 1.00 0.00 ATOM 323 C ASN 40 18.521 13.297 21.863 1.00 0.00 ATOM 324 N VAL 41 17.808 14.381 21.576 1.00 0.00 ATOM 325 CA VAL 41 17.929 15.014 20.318 1.00 0.00 ATOM 326 CB VAL 41 16.782 14.818 19.373 1.00 0.00 ATOM 327 CG1 VAL 41 16.978 15.515 18.025 1.00 0.00 ATOM 328 CG2 VAL 41 16.517 13.351 19.030 1.00 0.00 ATOM 329 O VAL 41 17.333 16.979 21.480 1.00 0.00 ATOM 330 C VAL 41 17.994 16.459 20.579 1.00 0.00 ATOM 331 N VAL 42 18.803 17.154 19.786 1.00 0.00 ATOM 332 CA VAL 42 18.955 18.597 19.939 1.00 0.00 ATOM 333 CB VAL 42 20.350 18.942 20.545 1.00 0.00 ATOM 334 CG1 VAL 42 20.494 20.462 20.650 1.00 0.00 ATOM 335 CG2 VAL 42 20.534 18.321 21.902 1.00 0.00 ATOM 336 O VAL 42 19.432 18.854 17.602 1.00 0.00 ATOM 337 C VAL 42 18.768 19.235 18.566 1.00 0.00 ATOM 338 N LEU 43 17.866 20.208 18.481 1.00 0.00 ATOM 339 CA LEU 43 17.599 20.905 17.199 1.00 0.00 ATOM 340 CB LEU 43 16.129 21.287 16.973 1.00 0.00 ATOM 341 CG LEU 43 15.183 20.085 16.954 1.00 0.00 ATOM 342 CD1 LEU 43 13.703 20.431 16.792 1.00 0.00 ATOM 343 CD2 LEU 43 15.435 19.081 15.830 1.00 0.00 ATOM 344 O LEU 43 18.134 22.955 18.249 1.00 0.00 ATOM 345 C LEU 43 18.344 22.191 17.310 1.00 0.00 ATOM 346 N VAL 44 19.233 22.460 16.340 1.00 0.00 ATOM 347 CA VAL 44 20.024 23.654 16.380 1.00 0.00 ATOM 348 CB VAL 44 21.525 23.393 16.235 1.00 0.00 ATOM 349 CG1 VAL 44 22.344 24.713 16.389 1.00 0.00 ATOM 350 CG2 VAL 44 22.019 22.355 17.255 1.00 0.00 ATOM 351 O VAL 44 19.616 24.142 14.067 1.00 0.00 ATOM 352 C VAL 44 19.595 24.555 15.227 1.00 0.00 ATOM 353 N ASP 45 19.208 25.786 15.546 1.00 0.00 ATOM 354 CA ASP 45 18.790 26.711 14.538 1.00 0.00 ATOM 355 CB ASP 45 17.555 27.516 14.983 1.00 0.00 ATOM 356 CG ASP 45 17.167 28.450 13.846 1.00 0.00 ATOM 357 OD1 ASP 45 17.910 28.484 12.828 1.00 0.00 ATOM 358 OD2 ASP 45 16.122 29.140 13.978 1.00 0.00 ATOM 359 O ASP 45 20.396 28.391 15.152 1.00 0.00 ATOM 360 C ASP 45 20.003 27.610 14.285 1.00 0.00 ATOM 361 N VAL 46 20.592 27.497 13.098 1.00 0.00 ATOM 362 CA VAL 46 21.754 28.307 12.750 1.00 0.00 ATOM 363 CB VAL 46 22.383 27.657 11.556 1.00 0.00 ATOM 364 CG1 VAL 46 22.832 26.217 11.809 1.00 0.00 ATOM 365 CG2 VAL 46 21.453 27.578 10.343 1.00 0.00 ATOM 366 O VAL 46 22.401 30.542 12.311 1.00 0.00 ATOM 367 C VAL 46 21.473 29.744 12.408 1.00 0.00 ATOM 368 N ARG 47 20.200 30.103 12.158 1.00 0.00 ATOM 369 CA ARG 47 19.838 31.427 11.723 1.00 0.00 ATOM 370 CB ARG 47 18.340 31.569 11.417 1.00 0.00 ATOM 371 CG ARG 47 17.895 30.791 10.177 1.00 0.00 ATOM 372 CD ARG 47 16.390 30.873 9.910 1.00 0.00 ATOM 373 NE ARG 47 15.696 30.202 11.043 1.00 0.00 ATOM 374 CZ ARG 47 14.337 30.256 11.139 1.00 0.00 ATOM 375 NH1 ARG 47 13.873 30.980 10.079 1.00 0.00 ATOM 376 NH2 ARG 47 13.970 29.565 12.259 1.00 0.00 ATOM 377 O ARG 47 20.544 32.159 13.907 1.00 0.00 ATOM 378 C ARG 47 20.176 32.484 12.770 1.00 0.00 ATOM 379 N GLU 48 20.036 33.741 12.354 1.00 0.00 ATOM 380 CA GLU 48 20.314 34.833 13.273 1.00 0.00 ATOM 381 CB GLU 48 20.272 36.217 12.602 1.00 0.00 ATOM 382 CG GLU 48 21.393 36.439 11.586 1.00 0.00 ATOM 383 CD GLU 48 21.234 37.837 11.007 1.00 0.00 ATOM 384 OE1 GLU 48 20.253 38.528 11.389 1.00 0.00 ATOM 385 OE2 GLU 48 22.092 38.232 10.172 1.00 0.00 ATOM 386 O GLU 48 18.117 34.488 14.164 1.00 0.00 ATOM 387 C GLU 48 19.269 34.865 14.382 1.00 0.00 ATOM 388 N PRO 49 19.681 35.313 15.487 1.00 0.00 ATOM 389 CA PRO 49 18.757 35.385 16.624 1.00 0.00 ATOM 390 CB PRO 49 19.572 36.134 17.675 1.00 0.00 ATOM 391 CG PRO 49 20.972 35.694 17.376 1.00 0.00 ATOM 392 CD PRO 49 21.020 35.793 15.870 1.00 0.00 ATOM 393 O PRO 49 16.415 35.853 16.853 1.00 0.00 ATOM 394 C PRO 49 17.482 36.165 16.321 1.00 0.00 ATOM 395 N SER 50 17.593 37.177 15.467 1.00 0.00 ATOM 396 CA SER 50 16.455 37.969 15.115 1.00 0.00 ATOM 397 CB SER 50 16.735 39.148 14.169 1.00 0.00 ATOM 398 OG SER 50 17.583 40.093 14.805 1.00 0.00 ATOM 399 O SER 50 14.283 37.014 14.890 1.00 0.00 ATOM 400 C SER 50 15.446 37.048 14.487 1.00 0.00 ATOM 401 N GLU 51 15.885 36.288 13.489 1.00 0.00 ATOM 402 CA GLU 51 14.999 35.353 12.805 1.00 0.00 ATOM 403 CB GLU 51 15.779 34.590 11.718 1.00 0.00 ATOM 404 CG GLU 51 16.214 35.473 10.546 1.00 0.00 ATOM 405 CD GLU 51 14.965 36.085 9.928 1.00 0.00 ATOM 406 OE1 GLU 51 14.028 35.310 9.600 1.00 0.00 ATOM 407 OE2 GLU 51 14.933 37.335 9.776 1.00 0.00 ATOM 408 O GLU 51 13.383 33.759 13.549 1.00 0.00 ATOM 409 C GLU 51 14.514 34.242 13.714 1.00 0.00 ATOM 410 N TYR 52 15.350 33.862 14.646 1.00 0.00 ATOM 411 CA TYR 52 14.977 32.823 15.603 1.00 0.00 ATOM 412 CB TYR 52 16.093 32.419 16.505 1.00 0.00 ATOM 413 CG TYR 52 15.635 31.379 17.499 1.00 0.00 ATOM 414 CD1 TYR 52 15.430 30.045 17.113 1.00 0.00 ATOM 415 CD2 TYR 52 15.358 31.736 18.823 1.00 0.00 ATOM 416 CE1 TYR 52 14.949 29.096 18.025 1.00 0.00 ATOM 417 CE2 TYR 52 14.877 30.800 19.732 1.00 0.00 ATOM 418 CZ TYR 52 14.673 29.488 19.329 1.00 0.00 ATOM 419 OH TYR 52 14.185 28.612 20.257 1.00 0.00 ATOM 420 O TYR 52 12.852 32.492 16.587 1.00 0.00 ATOM 421 C TYR 52 13.817 33.239 16.421 1.00 0.00 ATOM 422 N SER 53 13.888 34.455 16.954 1.00 0.00 ATOM 423 CA SER 53 12.807 34.982 17.779 1.00 0.00 ATOM 424 CB SER 53 13.094 36.387 18.341 1.00 0.00 ATOM 425 OG SER 53 14.215 36.345 19.212 1.00 0.00 ATOM 426 O SER 53 10.457 34.772 17.608 1.00 0.00 ATOM 427 C SER 53 11.509 35.046 17.033 1.00 0.00 ATOM 428 N ILE 54 11.530 35.388 15.731 1.00 0.00 ATOM 429 CA ILE 54 10.272 35.537 15.056 1.00 0.00 ATOM 430 CB ILE 54 10.399 36.142 13.674 1.00 0.00 ATOM 431 CG1 ILE 54 10.861 37.609 13.688 1.00 0.00 ATOM 432 CG2 ILE 54 9.080 36.144 12.882 1.00 0.00 ATOM 433 CD1 ILE 54 11.247 38.138 12.308 1.00 0.00 ATOM 434 O ILE 54 8.379 34.139 15.323 1.00 0.00 ATOM 435 C ILE 54 9.561 34.217 14.991 1.00 0.00 ATOM 436 N VAL 55 10.243 33.135 14.568 1.00 0.00 ATOM 437 CA VAL 55 9.549 31.882 14.513 1.00 0.00 ATOM 438 CB VAL 55 8.776 31.691 13.241 1.00 0.00 ATOM 439 CG1 VAL 55 9.658 31.627 11.994 1.00 0.00 ATOM 440 CG2 VAL 55 7.952 30.401 13.215 1.00 0.00 ATOM 441 O VAL 55 11.676 30.958 14.054 1.00 0.00 ATOM 442 C VAL 55 10.569 30.795 14.563 1.00 0.00 ATOM 443 N HIS 56 10.230 29.649 15.186 1.00 0.00 ATOM 444 CA HIS 56 11.187 28.585 15.209 1.00 0.00 ATOM 445 CB HIS 56 12.352 28.844 16.177 1.00 0.00 ATOM 446 CG HIS 56 11.905 29.018 17.598 1.00 0.00 ATOM 447 CD2 HIS 56 11.666 30.138 18.321 1.00 0.00 ATOM 448 ND1 HIS 56 11.649 27.972 18.460 1.00 0.00 ATOM 449 CE1 HIS 56 11.284 28.416 19.624 1.00 0.00 ATOM 450 NE2 HIS 56 11.281 29.735 19.576 1.00 0.00 ATOM 451 O HIS 56 9.425 27.304 16.152 1.00 0.00 ATOM 452 C HIS 56 10.535 27.308 15.619 1.00 0.00 ATOM 453 N ILE 57 11.222 26.197 15.373 1.00 0.00 ATOM 454 CA ILE 57 10.690 24.886 15.730 1.00 0.00 ATOM 455 CB ILE 57 11.495 23.796 14.988 1.00 0.00 ATOM 456 CG1 ILE 57 11.426 24.080 13.479 1.00 0.00 ATOM 457 CG2 ILE 57 10.938 22.425 15.333 1.00 0.00 ATOM 458 CD1 ILE 57 12.051 22.978 12.631 1.00 0.00 ATOM 459 O ILE 57 11.803 25.115 17.810 1.00 0.00 ATOM 460 C ILE 57 10.781 24.782 17.214 1.00 0.00 ATOM 461 N PRO 58 9.714 24.348 17.827 1.00 0.00 ATOM 462 CA PRO 58 9.643 24.277 19.257 1.00 0.00 ATOM 463 CB PRO 58 8.274 23.610 19.518 1.00 0.00 ATOM 464 CG PRO 58 7.483 23.879 18.266 1.00 0.00 ATOM 465 CD PRO 58 8.516 23.793 17.169 1.00 0.00 ATOM 466 O PRO 58 11.242 22.545 19.231 1.00 0.00 ATOM 467 C PRO 58 10.819 23.538 19.819 1.00 0.00 ATOM 468 N ALA 59 11.344 24.029 20.962 1.00 0.00 ATOM 469 CA ALA 59 12.439 23.453 21.692 1.00 0.00 ATOM 470 CB ALA 59 12.210 21.975 22.051 1.00 0.00 ATOM 471 O ALA 59 14.740 22.894 21.361 1.00 0.00 ATOM 472 C ALA 59 13.773 23.538 20.962 1.00 0.00 ATOM 473 N SER 60 13.832 24.331 19.897 1.00 0.00 ATOM 474 CA SER 60 15.093 24.491 19.182 1.00 0.00 ATOM 475 CB SER 60 14.868 25.113 17.811 1.00 0.00 ATOM 476 OG SER 60 14.185 26.358 17.768 1.00 0.00 ATOM 477 O SER 60 15.555 26.212 20.758 1.00 0.00 ATOM 478 C SER 60 16.001 25.391 19.957 1.00 0.00 ATOM 479 N ILE 61 17.319 25.257 19.718 1.00 0.00 ATOM 480 CA ILE 61 18.289 26.073 20.388 1.00 0.00 ATOM 481 CB ILE 61 19.377 25.289 21.049 1.00 0.00 ATOM 482 CG1 ILE 61 18.874 24.372 22.177 1.00 0.00 ATOM 483 CG2 ILE 61 20.458 26.169 21.700 1.00 0.00 ATOM 484 CD1 ILE 61 19.936 23.404 22.696 1.00 0.00 ATOM 485 O ILE 61 19.334 26.417 18.263 1.00 0.00 ATOM 486 C ILE 61 18.969 26.922 19.323 1.00 0.00 ATOM 487 N ASN 62 19.167 28.164 19.620 1.00 0.00 ATOM 488 CA ASN 62 19.820 29.021 18.640 1.00 0.00 ATOM 489 CB ASN 62 19.202 30.431 18.697 1.00 0.00 ATOM 490 CG ASN 62 19.763 31.237 17.533 1.00 0.00 ATOM 491 ND2 ASN 62 20.453 32.383 17.783 1.00 0.00 ATOM 492 OD1 ASN 62 19.603 30.868 16.372 1.00 0.00 ATOM 493 O ASN 62 21.817 29.535 19.829 1.00 0.00 ATOM 494 C ASN 62 21.307 29.145 18.781 1.00 0.00 ATOM 495 N VAL 63 22.045 28.775 17.715 1.00 0.00 ATOM 496 CA VAL 63 23.454 29.033 17.654 1.00 0.00 ATOM 497 CB VAL 63 24.347 27.855 17.933 1.00 0.00 ATOM 498 CG1 VAL 63 25.838 28.180 17.825 1.00 0.00 ATOM 499 CG2 VAL 63 24.164 27.270 19.335 1.00 0.00 ATOM 500 O VAL 63 23.572 28.759 15.291 1.00 0.00 ATOM 501 C VAL 63 23.696 29.508 16.259 1.00 0.00 ATOM 502 N PRO 64 24.066 30.743 16.126 1.00 0.00 ATOM 503 CA PRO 64 24.232 31.264 14.803 1.00 0.00 ATOM 504 CB PRO 64 24.245 32.792 14.938 1.00 0.00 ATOM 505 CG PRO 64 24.697 33.278 16.317 1.00 0.00 ATOM 506 CD PRO 64 24.290 32.345 17.458 1.00 0.00 ATOM 507 O PRO 64 26.434 30.332 14.606 1.00 0.00 ATOM 508 C PRO 64 25.395 30.656 14.028 1.00 0.00 ATOM 509 N TYR 65 25.210 30.473 12.725 1.00 0.00 ATOM 510 CA TYR 65 26.231 29.918 11.920 1.00 0.00 ATOM 511 CB TYR 65 25.622 29.701 10.468 1.00 0.00 ATOM 512 CG TYR 65 26.630 29.365 9.362 1.00 0.00 ATOM 513 CD1 TYR 65 26.649 30.131 8.185 1.00 0.00 ATOM 514 CD2 TYR 65 27.490 28.265 9.447 1.00 0.00 ATOM 515 CE1 TYR 65 27.481 29.799 7.117 1.00 0.00 ATOM 516 CE2 TYR 65 28.342 27.932 8.358 1.00 0.00 ATOM 517 CZ TYR 65 28.304 28.711 7.200 1.00 0.00 ATOM 518 OH TYR 65 29.031 28.365 6.073 1.00 0.00 ATOM 519 O TYR 65 28.561 30.367 11.923 1.00 0.00 ATOM 520 C TYR 65 27.416 30.820 11.924 1.00 0.00 ATOM 521 N ARG 66 27.156 32.124 11.929 1.00 0.00 ATOM 522 CA ARG 66 28.232 33.109 11.936 1.00 0.00 ATOM 523 CB ARG 66 27.699 34.553 11.965 1.00 0.00 ATOM 524 CG ARG 66 26.981 34.964 10.677 1.00 0.00 ATOM 525 CD ARG 66 26.377 36.369 10.735 1.00 0.00 ATOM 526 NE ARG 66 25.696 36.617 9.433 1.00 0.00 ATOM 527 CZ ARG 66 24.966 37.756 9.250 1.00 0.00 ATOM 528 NH1 ARG 66 25.029 38.479 10.405 1.00 0.00 ATOM 529 NH2 ARG 66 24.460 37.727 7.983 1.00 0.00 ATOM 530 O ARG 66 30.385 33.340 12.969 1.00 0.00 ATOM 531 C ARG 66 29.208 33.005 13.103 1.00 0.00 ATOM 532 N SER 67 28.717 32.540 14.248 1.00 0.00 ATOM 533 CA SER 67 29.538 32.408 15.369 1.00 0.00 ATOM 534 CB SER 67 28.816 32.033 16.676 1.00 0.00 ATOM 535 OG SER 67 27.952 33.088 17.075 1.00 0.00 ATOM 536 O SER 67 31.711 31.450 15.443 1.00 0.00 ATOM 537 C SER 67 30.540 31.332 15.086 1.00 0.00 ATOM 538 N HIS 68 30.111 30.241 14.432 1.00 0.00 ATOM 539 CA HIS 68 31.034 29.162 14.255 1.00 0.00 ATOM 540 CB HIS 68 30.337 27.908 13.704 1.00 0.00 ATOM 541 CG HIS 68 29.368 27.302 14.674 1.00 0.00 ATOM 542 CD2 HIS 68 29.504 26.265 15.533 1.00 0.00 ATOM 543 ND1 HIS 68 28.074 27.747 14.853 1.00 0.00 ATOM 544 CE1 HIS 68 27.464 27.035 15.751 1.00 0.00 ATOM 545 NE2 HIS 68 28.307 26.120 16.191 1.00 0.00 ATOM 546 O HIS 68 33.204 30.007 13.986 1.00 0.00 ATOM 547 C HIS 68 32.188 29.643 13.401 1.00 0.00 ATOM 548 N PRO 69 32.120 29.839 12.102 1.00 0.00 ATOM 549 CA PRO 69 33.316 30.358 11.485 1.00 0.00 ATOM 550 CB PRO 69 33.200 29.747 10.084 1.00 0.00 ATOM 551 CG PRO 69 31.709 29.718 9.859 1.00 0.00 ATOM 552 CD PRO 69 31.195 29.249 11.199 1.00 0.00 ATOM 553 O PRO 69 32.321 32.547 11.079 1.00 0.00 ATOM 554 C PRO 69 33.304 31.864 11.306 1.00 0.00 ATOM 555 N ASP 70 34.486 32.401 11.355 1.00 0.00 ATOM 556 CA ASP 70 34.665 33.802 10.943 1.00 0.00 ATOM 557 CB ASP 70 35.002 34.607 12.206 1.00 0.00 ATOM 558 CG ASP 70 34.803 36.082 11.891 1.00 0.00 ATOM 559 OD1 ASP 70 34.293 36.386 10.779 1.00 0.00 ATOM 560 OD2 ASP 70 35.157 36.927 12.756 1.00 0.00 ATOM 561 O ASP 70 36.849 34.501 10.346 1.00 0.00 ATOM 562 C ASP 70 35.771 34.041 9.976 1.00 0.00 ATOM 563 N ALA 71 35.539 33.698 8.700 1.00 0.00 ATOM 564 CA ALA 71 36.576 33.803 7.724 1.00 0.00 ATOM 565 CB ALA 71 37.252 35.185 7.707 1.00 0.00 ATOM 566 O ALA 71 38.606 32.682 7.258 1.00 0.00 ATOM 567 C ALA 71 37.604 32.770 7.970 1.00 0.00 ATOM 568 N PHE 72 37.376 31.956 8.995 1.00 0.00 ATOM 569 CA PHE 72 38.314 30.895 9.342 1.00 0.00 ATOM 570 CB PHE 72 39.720 31.436 9.661 1.00 0.00 ATOM 571 CG PHE 72 39.859 32.218 10.960 1.00 0.00 ATOM 572 CD1 PHE 72 40.236 31.586 12.141 1.00 0.00 ATOM 573 CD2 PHE 72 39.652 33.579 11.015 1.00 0.00 ATOM 574 CE1 PHE 72 40.429 32.304 13.317 1.00 0.00 ATOM 575 CE2 PHE 72 39.840 34.317 12.191 1.00 0.00 ATOM 576 CZ PHE 72 40.227 33.662 13.352 1.00 0.00 ATOM 577 O PHE 72 36.785 30.403 11.124 1.00 0.00 ATOM 578 C PHE 72 37.641 29.971 10.351 1.00 0.00 ATOM 579 N ALA 73 38.028 28.699 10.342 1.00 0.00 ATOM 580 CA ALA 73 37.456 27.735 11.261 1.00 0.00 ATOM 581 CB ALA 73 37.871 26.276 11.010 1.00 0.00 ATOM 582 O ALA 73 39.079 28.494 12.808 1.00 0.00 ATOM 583 C ALA 73 37.924 28.116 12.626 1.00 0.00 ATOM 584 N LEU 74 37.032 28.029 13.634 1.00 0.00 ATOM 585 CA LEU 74 37.418 28.449 14.951 1.00 0.00 ATOM 586 CB LEU 74 36.280 28.426 15.985 1.00 0.00 ATOM 587 CG LEU 74 35.215 29.496 15.745 1.00 0.00 ATOM 588 CD1 LEU 74 33.978 29.389 16.636 1.00 0.00 ATOM 589 CD2 LEU 74 35.685 30.934 15.961 1.00 0.00 ATOM 590 O LEU 74 39.510 28.078 15.965 1.00 0.00 ATOM 591 C LEU 74 38.489 27.574 15.510 1.00 0.00 ATOM 592 N ASP 75 38.284 26.244 15.446 1.00 0.00 ATOM 593 CA ASP 75 39.131 25.215 15.985 1.00 0.00 ATOM 594 CB ASP 75 40.210 25.639 17.003 1.00 0.00 ATOM 595 CG ASP 75 41.302 26.384 16.248 1.00 0.00 ATOM 596 OD1 ASP 75 41.282 26.347 14.989 1.00 0.00 ATOM 597 OD2 ASP 75 42.171 27.002 16.920 1.00 0.00 ATOM 598 O ASP 75 37.116 24.695 17.111 1.00 0.00 ATOM 599 C ASP 75 38.194 24.294 16.679 1.00 0.00 ATOM 600 N PRO 76 38.564 23.059 16.770 1.00 0.00 ATOM 601 CA PRO 76 37.694 22.109 17.385 1.00 0.00 ATOM 602 CB PRO 76 38.479 20.783 17.369 1.00 0.00 ATOM 603 CG PRO 76 39.364 20.914 16.131 1.00 0.00 ATOM 604 CD PRO 76 39.783 22.385 16.163 1.00 0.00 ATOM 605 O PRO 76 36.230 22.268 19.210 1.00 0.00 ATOM 606 C PRO 76 37.383 22.420 18.812 1.00 0.00 ATOM 607 N LEU 77 38.375 22.885 19.592 1.00 0.00 ATOM 608 CA LEU 77 38.152 23.152 20.986 1.00 0.00 ATOM 609 CB LEU 77 39.472 23.456 21.737 1.00 0.00 ATOM 610 CG LEU 77 40.393 22.242 21.870 1.00 0.00 ATOM 611 CD1 LEU 77 41.776 22.539 22.448 1.00 0.00 ATOM 612 CD2 LEU 77 39.865 21.126 22.769 1.00 0.00 ATOM 613 O LEU 77 36.260 24.321 21.885 1.00 0.00 ATOM 614 C LEU 77 37.226 24.355 21.121 1.00 0.00 ATOM 615 N GLU 78 37.497 25.404 20.351 1.00 0.00 ATOM 616 CA GLU 78 36.688 26.578 20.401 1.00 0.00 ATOM 617 CB GLU 78 37.270 27.668 19.493 1.00 0.00 ATOM 618 CG GLU 78 38.595 28.240 19.997 1.00 0.00 ATOM 619 CD GLU 78 38.354 28.841 21.375 1.00 0.00 ATOM 620 OE1 GLU 78 37.433 29.693 21.495 1.00 0.00 ATOM 621 OE2 GLU 78 39.088 28.459 22.324 1.00 0.00 ATOM 622 O GLU 78 34.318 26.675 20.724 1.00 0.00 ATOM 623 C GLU 78 35.248 26.287 20.016 1.00 0.00 ATOM 624 N PHE 79 35.081 25.627 18.917 1.00 0.00 ATOM 625 CA PHE 79 33.738 25.303 18.449 1.00 0.00 ATOM 626 CB PHE 79 33.692 24.446 17.205 1.00 0.00 ATOM 627 CG PHE 79 33.952 25.220 15.943 1.00 0.00 ATOM 628 CD1 PHE 79 33.116 26.269 15.570 1.00 0.00 ATOM 629 CD2 PHE 79 35.017 24.885 15.114 1.00 0.00 ATOM 630 CE1 PHE 79 33.336 26.967 14.392 1.00 0.00 ATOM 631 CE2 PHE 79 35.247 25.574 13.935 1.00 0.00 ATOM 632 CZ PHE 79 34.404 26.619 13.570 1.00 0.00 ATOM 633 O PHE 79 31.821 24.621 19.720 1.00 0.00 ATOM 634 C PHE 79 33.014 24.437 19.474 1.00 0.00 ATOM 635 N GLU 80 33.720 23.457 20.029 1.00 0.00 ATOM 636 CA GLU 80 33.138 22.605 20.989 1.00 0.00 ATOM 637 CB GLU 80 34.166 21.611 21.551 1.00 0.00 ATOM 638 CG GLU 80 33.554 20.561 22.482 1.00 0.00 ATOM 639 CD GLU 80 34.664 19.613 22.915 1.00 0.00 ATOM 640 OE1 GLU 80 35.821 19.810 22.458 1.00 0.00 ATOM 641 OE2 GLU 80 34.367 18.679 23.708 1.00 0.00 ATOM 642 O GLU 80 31.560 23.088 22.713 1.00 0.00 ATOM 643 C GLU 80 32.615 23.393 22.185 1.00 0.00 ATOM 644 N LYS 81 33.350 24.414 22.593 1.00 0.00 ATOM 645 CA LYS 81 32.904 25.237 23.698 1.00 0.00 ATOM 646 CB LYS 81 33.896 26.367 24.021 1.00 0.00 ATOM 647 CG LYS 81 35.217 25.868 24.612 1.00 0.00 ATOM 648 CD LYS 81 36.204 26.991 24.937 1.00 0.00 ATOM 649 CE LYS 81 37.535 26.492 25.505 1.00 0.00 ATOM 650 NZ LYS 81 38.438 27.635 25.758 1.00 0.00 ATOM 651 O LYS 81 30.687 25.999 24.216 1.00 0.00 ATOM 652 C LYS 81 31.573 25.898 23.366 1.00 0.00 ATOM 653 N GLN 82 31.464 26.346 22.146 1.00 0.00 ATOM 654 CA GLN 82 30.252 27.019 21.709 1.00 0.00 ATOM 655 CB GLN 82 30.333 27.463 20.236 1.00 0.00 ATOM 656 CG GLN 82 29.129 28.289 19.780 1.00 0.00 ATOM 657 CD GLN 82 29.128 29.592 20.566 1.00 0.00 ATOM 658 OE1 GLN 82 30.160 30.246 20.709 1.00 0.00 ATOM 659 NE2 GLN 82 27.968 30.040 21.118 1.00 0.00 ATOM 660 O GLN 82 28.001 26.473 22.344 1.00 0.00 ATOM 661 C GLN 82 29.038 26.095 21.795 1.00 0.00 ATOM 662 N ILE 83 29.120 24.914 21.226 1.00 0.00 ATOM 663 CA ILE 83 27.994 24.006 21.222 1.00 0.00 ATOM 664 CB ILE 83 28.279 22.869 20.160 1.00 0.00 ATOM 665 CG1 ILE 83 28.106 23.433 18.752 1.00 0.00 ATOM 666 CG2 ILE 83 27.340 21.676 20.397 1.00 0.00 ATOM 667 CD1 ILE 83 28.519 22.505 17.628 1.00 0.00 ATOM 668 O ILE 83 26.564 23.357 23.010 1.00 0.00 ATOM 669 C ILE 83 27.720 23.507 22.606 1.00 0.00 ATOM 670 N GLY 84 28.796 23.249 23.368 1.00 0.00 ATOM 671 CA GLY 84 28.690 22.655 24.667 1.00 0.00 ATOM 672 O GLY 84 27.174 22.999 26.442 1.00 0.00 ATOM 673 C GLY 84 27.904 23.520 25.599 1.00 0.00 ATOM 674 N ILE 85 28.047 24.860 25.531 1.00 0.00 ATOM 675 CA ILE 85 27.233 25.583 26.460 1.00 0.00 ATOM 676 CB ILE 85 27.281 27.209 25.979 1.00 0.00 ATOM 677 CG1 ILE 85 28.475 27.598 25.123 1.00 0.00 ATOM 678 CG2 ILE 85 27.030 28.239 27.066 1.00 0.00 ATOM 679 CD1 ILE 85 28.324 28.961 24.434 1.00 0.00 ATOM 680 O ILE 85 24.965 25.185 26.969 1.00 0.00 ATOM 681 C ILE 85 25.793 25.394 26.086 1.00 0.00 ATOM 682 N PRO 86 25.430 25.427 24.834 1.00 0.00 ATOM 683 CA PRO 86 24.094 25.033 24.545 1.00 0.00 ATOM 684 CB PRO 86 23.788 25.512 23.131 1.00 0.00 ATOM 685 CG PRO 86 24.732 26.613 22.643 1.00 0.00 ATOM 686 CD PRO 86 26.152 26.492 23.198 1.00 0.00 ATOM 687 O PRO 86 25.051 22.926 24.987 1.00 0.00 ATOM 688 C PRO 86 24.037 23.568 24.751 1.00 0.00 ATOM 689 N LYS 87 22.846 23.007 24.663 1.00 0.00 ATOM 690 CA LYS 87 22.623 21.630 24.945 1.00 0.00 ATOM 691 CB LYS 87 21.184 21.232 24.643 1.00 0.00 ATOM 692 CG LYS 87 20.168 21.826 25.620 1.00 0.00 ATOM 693 CD LYS 87 18.721 21.435 25.314 1.00 0.00 ATOM 694 CE LYS 87 17.705 22.034 26.289 1.00 0.00 ATOM 695 NZ LYS 87 16.335 21.631 25.903 1.00 0.00 ATOM 696 O LYS 87 23.784 19.651 24.571 1.00 0.00 ATOM 697 C LYS 87 23.444 20.730 24.091 1.00 0.00 ATOM 698 N PRO 88 23.803 21.070 22.877 1.00 0.00 ATOM 699 CA PRO 88 24.407 20.033 22.105 1.00 0.00 ATOM 700 CB PRO 88 24.392 20.617 20.653 1.00 0.00 ATOM 701 CG PRO 88 23.313 21.663 20.733 1.00 0.00 ATOM 702 CD PRO 88 23.551 22.260 22.090 1.00 0.00 ATOM 703 O PRO 88 26.707 20.019 22.673 1.00 0.00 ATOM 704 C PRO 88 25.650 19.398 22.622 1.00 0.00 ATOM 705 N ASP 89 25.523 18.114 22.998 1.00 0.00 ATOM 706 CA ASP 89 26.638 17.369 23.476 1.00 0.00 ATOM 707 CB ASP 89 26.534 16.890 24.943 1.00 0.00 ATOM 708 CG ASP 89 26.524 18.120 25.839 1.00 0.00 ATOM 709 OD1 ASP 89 27.433 18.977 25.679 1.00 0.00 ATOM 710 OD2 ASP 89 25.606 18.219 26.697 1.00 0.00 ATOM 711 O ASP 89 25.870 15.851 21.831 1.00 0.00 ATOM 712 C ASP 89 26.789 16.194 22.575 1.00 0.00 ATOM 713 N SER 90 27.978 15.574 22.593 1.00 0.00 ATOM 714 CA SER 90 28.257 14.532 21.657 1.00 0.00 ATOM 715 CB SER 90 29.605 13.841 21.916 1.00 0.00 ATOM 716 OG SER 90 30.670 14.760 21.723 1.00 0.00 ATOM 717 O SER 90 26.910 12.874 20.670 1.00 0.00 ATOM 718 C SER 90 27.224 13.467 21.703 1.00 0.00 ATOM 719 N ALA 91 26.710 13.129 22.895 1.00 0.00 ATOM 720 CA ALA 91 25.767 12.058 22.856 1.00 0.00 ATOM 721 CB ALA 91 25.775 11.170 24.109 1.00 0.00 ATOM 722 O ALA 91 23.538 12.337 23.589 1.00 0.00 ATOM 723 C ALA 91 24.363 12.476 22.685 1.00 0.00 ATOM 724 N LYS 92 24.055 13.005 21.505 1.00 0.00 ATOM 725 CA LYS 92 22.700 13.457 21.208 1.00 0.00 ATOM 726 CB LYS 92 22.465 14.841 21.876 1.00 0.00 ATOM 727 CG LYS 92 22.601 14.811 23.411 1.00 0.00 ATOM 728 CD LYS 92 22.377 16.134 24.063 1.00 0.00 ATOM 729 CE LYS 92 22.268 15.944 25.545 1.00 0.00 ATOM 730 NZ LYS 92 22.173 17.220 26.346 1.00 0.00 ATOM 731 O LYS 92 23.558 13.704 19.029 1.00 0.00 ATOM 732 C LYS 92 22.577 13.445 19.723 1.00 0.00 ATOM 733 N GLU 93 21.384 13.114 19.184 1.00 0.00 ATOM 734 CA GLU 93 21.268 13.231 17.762 1.00 0.00 ATOM 735 CB GLU 93 20.098 12.445 17.126 1.00 0.00 ATOM 736 CG GLU 93 20.050 12.550 15.601 1.00 0.00 ATOM 737 CD GLU 93 18.862 11.734 15.111 1.00 0.00 ATOM 738 OE1 GLU 93 18.128 11.181 15.973 1.00 0.00 ATOM 739 OE2 GLU 93 18.672 11.654 13.868 1.00 0.00 ATOM 740 O GLU 93 19.922 15.206 17.915 1.00 0.00 ATOM 741 C GLU 93 20.916 14.671 17.424 1.00 0.00 ATOM 742 N LEU 94 21.787 15.248 16.638 1.00 0.00 ATOM 743 CA LEU 94 21.633 16.667 16.328 1.00 0.00 ATOM 744 CB LEU 94 22.956 17.441 16.473 1.00 0.00 ATOM 745 CG LEU 94 23.597 17.299 17.855 1.00 0.00 ATOM 746 CD1 LEU 94 24.975 17.945 17.998 1.00 0.00 ATOM 747 CD2 LEU 94 22.797 17.911 19.005 1.00 0.00 ATOM 748 O LEU 94 21.614 16.443 13.941 1.00 0.00 ATOM 749 C LEU 94 21.076 16.939 14.935 1.00 0.00 ATOM 750 N ILE 95 20.044 17.720 14.923 1.00 0.00 ATOM 751 CA ILE 95 19.414 18.082 13.654 1.00 0.00 ATOM 752 CB ILE 95 17.947 17.766 13.653 1.00 0.00 ATOM 753 CG1 ILE 95 17.635 16.291 13.954 1.00 0.00 ATOM 754 CG2 ILE 95 17.259 18.055 12.308 1.00 0.00 ATOM 755 CD1 ILE 95 18.212 15.323 12.921 1.00 0.00 ATOM 756 O ILE 95 19.154 20.337 14.332 1.00 0.00 ATOM 757 C ILE 95 19.573 19.559 13.479 1.00 0.00 ATOM 758 N PHE 96 20.238 19.983 12.386 1.00 0.00 ATOM 759 CA PHE 96 20.498 21.381 12.194 1.00 0.00 ATOM 760 CB PHE 96 21.884 21.598 11.595 1.00 0.00 ATOM 761 CG PHE 96 22.993 21.217 12.525 1.00 0.00 ATOM 762 CD1 PHE 96 23.276 21.970 13.653 1.00 0.00 ATOM 763 CD2 PHE 96 23.817 20.112 12.231 1.00 0.00 ATOM 764 CE1 PHE 96 24.295 21.622 14.506 1.00 0.00 ATOM 765 CE2 PHE 96 24.814 19.759 13.066 1.00 0.00 ATOM 766 CZ PHE 96 25.082 20.508 14.207 1.00 0.00 ATOM 767 O PHE 96 19.373 21.202 10.112 1.00 0.00 ATOM 768 C PHE 96 19.595 21.886 11.110 1.00 0.00 ATOM 769 N TYR 97 19.006 23.086 11.300 1.00 0.00 ATOM 770 CA TYR 97 18.213 23.626 10.235 1.00 0.00 ATOM 771 CB TYR 97 16.717 23.320 10.460 1.00 0.00 ATOM 772 CG TYR 97 15.990 24.028 11.592 1.00 0.00 ATOM 773 CD1 TYR 97 15.595 25.364 11.474 1.00 0.00 ATOM 774 CD2 TYR 97 15.611 23.331 12.741 1.00 0.00 ATOM 775 CE1 TYR 97 14.832 25.987 12.477 1.00 0.00 ATOM 776 CE2 TYR 97 14.849 23.941 13.744 1.00 0.00 ATOM 777 CZ TYR 97 14.466 25.266 13.603 1.00 0.00 ATOM 778 OH TYR 97 13.715 25.862 14.596 1.00 0.00 ATOM 779 O TYR 97 18.879 25.781 11.052 1.00 0.00 ATOM 780 C TYR 97 18.420 25.132 10.111 1.00 0.00 ATOM 781 N CYS 98 18.032 25.693 8.971 1.00 0.00 ATOM 782 CA CYS 98 18.181 27.104 8.754 1.00 0.00 ATOM 783 CB CYS 98 19.486 27.469 8.023 1.00 0.00 ATOM 784 SG CYS 98 19.709 26.651 6.409 1.00 0.00 ATOM 785 O CYS 98 15.896 26.937 8.231 1.00 0.00 ATOM 786 C CYS 98 16.951 27.528 8.025 1.00 0.00 ATOM 787 N ALA 99 17.004 28.604 7.214 1.00 0.00 ATOM 788 CA ALA 99 15.806 28.875 6.475 1.00 0.00 ATOM 789 CB ALA 99 15.260 30.307 6.575 1.00 0.00 ATOM 790 O ALA 99 14.738 28.576 4.347 1.00 0.00 ATOM 791 C ALA 99 15.720 28.336 5.051 1.00 0.00 ATOM 792 N SER 100 16.748 27.606 4.630 1.00 0.00 ATOM 793 CA SER 100 16.762 27.053 3.317 1.00 0.00 ATOM 794 CB SER 100 16.863 28.273 2.350 1.00 0.00 ATOM 795 OG SER 100 18.193 28.763 2.339 1.00 0.00 ATOM 796 O SER 100 17.667 25.237 2.123 1.00 0.00 ATOM 797 C SER 100 17.588 25.827 3.206 1.00 0.00 ATOM 798 N GLY 101 18.254 25.426 4.291 1.00 0.00 ATOM 799 CA GLY 101 19.054 24.220 4.264 1.00 0.00 ATOM 800 O GLY 101 21.312 23.414 4.176 1.00 0.00 ATOM 801 C GLY 101 20.519 24.297 3.847 1.00 0.00 ATOM 802 N LYS 102 20.884 25.372 3.155 1.00 0.00 ATOM 803 CA LYS 102 22.228 25.538 2.723 1.00 0.00 ATOM 804 CB LYS 102 22.436 26.710 1.837 1.00 0.00 ATOM 805 CG LYS 102 22.053 26.385 0.425 1.00 0.00 ATOM 806 CD LYS 102 22.019 27.663 -0.420 1.00 0.00 ATOM 807 CE LYS 102 21.486 27.393 -1.791 1.00 0.00 ATOM 808 NZ LYS 102 21.432 28.637 -2.647 1.00 0.00 ATOM 809 O LYS 102 24.258 25.158 3.978 1.00 0.00 ATOM 810 C LYS 102 23.211 25.812 3.867 1.00 0.00 ATOM 811 N ARG 103 22.895 26.771 4.712 1.00 0.00 ATOM 812 CA ARG 103 23.801 27.129 5.798 1.00 0.00 ATOM 813 CB ARG 103 23.317 28.356 6.589 1.00 0.00 ATOM 814 CG ARG 103 23.407 29.664 5.800 1.00 0.00 ATOM 815 CD ARG 103 22.852 30.874 6.556 1.00 0.00 ATOM 816 NE ARG 103 23.003 32.062 5.670 1.00 0.00 ATOM 817 CZ ARG 103 22.510 33.272 6.064 1.00 0.00 ATOM 818 NH1 ARG 103 21.938 33.111 7.292 1.00 0.00 ATOM 819 NH2 ARG 103 22.780 34.174 5.074 1.00 0.00 ATOM 820 O ARG 103 25.028 25.729 7.312 1.00 0.00 ATOM 821 C ARG 103 23.944 25.973 6.783 1.00 0.00 ATOM 822 N GLY 104 22.874 25.229 7.024 1.00 0.00 ATOM 823 CA GLY 104 22.900 24.142 7.921 1.00 0.00 ATOM 824 O GLY 104 24.435 22.354 8.369 1.00 0.00 ATOM 825 C GLY 104 23.882 23.048 7.516 1.00 0.00 ATOM 826 N GLY 105 24.099 22.897 6.213 1.00 0.00 ATOM 827 CA GLY 105 25.000 21.906 5.734 1.00 0.00 ATOM 828 O GLY 105 27.053 21.260 6.756 1.00 0.00 ATOM 829 C GLY 105 26.353 22.179 6.329 1.00 0.00 ATOM 830 N GLU 106 26.734 23.452 6.363 1.00 0.00 ATOM 831 CA GLU 106 28.026 23.839 6.920 1.00 0.00 ATOM 832 CB GLU 106 28.268 25.328 6.725 1.00 0.00 ATOM 833 CG GLU 106 28.572 25.708 5.280 1.00 0.00 ATOM 834 CD GLU 106 29.730 24.910 4.697 1.00 0.00 ATOM 835 OE1 GLU 106 30.816 24.891 5.318 1.00 0.00 ATOM 836 OE2 GLU 106 29.557 24.302 3.616 1.00 0.00 ATOM 837 O GLU 106 29.120 23.041 8.899 1.00 0.00 ATOM 838 C GLU 106 28.084 23.484 8.402 1.00 0.00 ATOM 839 N ALA 107 27.002 23.760 9.122 1.00 0.00 ATOM 840 CA ALA 107 26.958 23.464 10.510 1.00 0.00 ATOM 841 CB ALA 107 25.627 23.965 11.104 1.00 0.00 ATOM 842 O ALA 107 27.817 21.626 11.726 1.00 0.00 ATOM 843 C ALA 107 27.166 22.021 10.758 1.00 0.00 ATOM 844 N GLN 108 26.577 21.194 9.900 1.00 0.00 ATOM 845 CA GLN 108 26.708 19.747 10.034 1.00 0.00 ATOM 846 CB GLN 108 26.022 18.868 8.967 1.00 0.00 ATOM 847 CG GLN 108 25.972 17.385 9.339 1.00 0.00 ATOM 848 CD GLN 108 27.326 16.772 9.009 1.00 0.00 ATOM 849 OE1 GLN 108 27.984 17.168 8.048 1.00 0.00 ATOM 850 NE2 GLN 108 27.817 15.772 9.790 1.00 0.00 ATOM 851 O GLN 108 28.648 18.517 10.661 1.00 0.00 ATOM 852 C GLN 108 28.155 19.365 9.916 1.00 0.00 ATOM 853 N LYS 109 28.853 19.990 8.974 1.00 0.00 ATOM 854 CA LYS 109 30.268 19.704 8.768 1.00 0.00 ATOM 855 CB LYS 109 30.890 20.527 7.625 1.00 0.00 ATOM 856 CG LYS 109 32.339 20.144 7.315 1.00 0.00 ATOM 857 CD LYS 109 32.939 20.920 6.141 1.00 0.00 ATOM 858 CE LYS 109 34.347 20.459 5.759 1.00 0.00 ATOM 859 NZ LYS 109 35.294 20.762 6.856 1.00 0.00 ATOM 860 O LYS 109 31.964 19.262 10.383 1.00 0.00 ATOM 861 C LYS 109 31.070 20.016 10.013 1.00 0.00 ATOM 862 N VAL 110 30.727 21.095 10.635 1.00 0.00 ATOM 863 CA VAL 110 31.409 21.506 11.850 1.00 0.00 ATOM 864 CB VAL 110 30.891 22.786 12.426 1.00 0.00 ATOM 865 CG1 VAL 110 31.501 23.133 13.786 1.00 0.00 ATOM 866 CG2 VAL 110 31.162 24.006 11.544 1.00 0.00 ATOM 867 O VAL 110 32.177 19.951 13.544 1.00 0.00 ATOM 868 C VAL 110 31.234 20.461 12.923 1.00 0.00 ATOM 869 N ALA 111 29.984 20.109 13.170 1.00 0.00 ATOM 870 CA ALA 111 29.691 19.105 14.188 1.00 0.00 ATOM 871 CB ALA 111 28.189 18.786 14.266 1.00 0.00 ATOM 872 O ALA 111 30.986 17.173 14.775 1.00 0.00 ATOM 873 C ALA 111 30.433 17.809 13.878 1.00 0.00 ATOM 874 N SER 112 30.444 17.420 12.607 1.00 0.00 ATOM 875 CA SER 112 31.105 16.239 12.223 1.00 0.00 ATOM 876 CB SER 112 30.900 15.948 10.728 1.00 0.00 ATOM 877 OG SER 112 31.569 14.750 10.368 1.00 0.00 ATOM 878 O SER 112 33.214 15.391 12.909 1.00 0.00 ATOM 879 C SER 112 32.570 16.367 12.528 1.00 0.00 ATOM 880 N SER 113 33.153 17.558 12.289 1.00 0.00 ATOM 881 CA SER 113 34.558 17.761 12.516 1.00 0.00 ATOM 882 CB SER 113 35.008 19.199 12.205 1.00 0.00 ATOM 883 OG SER 113 34.827 19.478 10.824 1.00 0.00 ATOM 884 O SER 113 35.903 17.007 14.354 1.00 0.00 ATOM 885 C SER 113 34.835 17.501 13.993 1.00 0.00 ATOM 886 N HIS 114 33.870 17.834 14.846 1.00 0.00 ATOM 887 CA HIS 114 34.030 17.628 16.253 1.00 0.00 ATOM 888 CB HIS 114 33.471 18.794 17.047 1.00 0.00 ATOM 889 CG HIS 114 33.845 20.115 16.466 1.00 0.00 ATOM 890 CD2 HIS 114 33.102 21.049 15.837 1.00 0.00 ATOM 891 ND1 HIS 114 35.145 20.566 16.435 1.00 0.00 ATOM 892 CE1 HIS 114 35.183 21.725 15.800 1.00 0.00 ATOM 893 NE2 HIS 114 33.957 22.037 15.425 1.00 0.00 ATOM 894 O HIS 114 33.970 15.816 17.838 1.00 0.00 ATOM 895 C HIS 114 33.770 16.174 16.677 1.00 0.00 ATOM 896 N GLY 115 33.326 15.347 15.735 1.00 0.00 ATOM 897 CA GLY 115 33.050 13.946 16.028 1.00 0.00 ATOM 898 O GLY 115 31.466 12.635 17.194 1.00 0.00 ATOM 899 C GLY 115 31.703 13.694 16.613 1.00 0.00 ATOM 900 N TYR 116 30.780 14.665 16.497 1.00 0.00 ATOM 901 CA TYR 116 29.468 14.375 16.988 1.00 0.00 ATOM 902 CB TYR 116 28.440 15.525 16.892 1.00 0.00 ATOM 903 CG TYR 116 28.859 16.583 17.854 1.00 0.00 ATOM 904 CD1 TYR 116 29.552 17.709 17.392 1.00 0.00 ATOM 905 CD2 TYR 116 28.570 16.485 19.233 1.00 0.00 ATOM 906 CE1 TYR 116 29.964 18.731 18.270 1.00 0.00 ATOM 907 CE2 TYR 116 28.981 17.515 20.139 1.00 0.00 ATOM 908 CZ TYR 116 29.678 18.632 19.636 1.00 0.00 ATOM 909 OH TYR 116 30.097 19.646 20.471 1.00 0.00 ATOM 910 O TYR 116 28.953 13.414 14.883 1.00 0.00 ATOM 911 C TYR 116 28.932 13.307 16.109 1.00 0.00 ATOM 912 N SER 117 28.513 12.195 16.728 1.00 0.00 ATOM 913 CA SER 117 27.912 11.160 15.962 1.00 0.00 ATOM 914 CB SER 117 27.915 9.798 16.676 1.00 0.00 ATOM 915 OG SER 117 27.069 9.841 17.815 1.00 0.00 ATOM 916 O SER 117 25.934 12.380 16.556 1.00 0.00 ATOM 917 C SER 117 26.446 11.548 15.805 1.00 0.00 ATOM 918 N ASN 118 25.773 10.948 14.829 1.00 0.00 ATOM 919 CA ASN 118 24.406 11.240 14.606 1.00 0.00 ATOM 920 CB ASN 118 23.550 10.684 15.752 1.00 0.00 ATOM 921 CG ASN 118 23.695 9.169 15.754 1.00 0.00 ATOM 922 ND2 ASN 118 23.553 8.484 16.920 1.00 0.00 ATOM 923 OD1 ASN 118 23.936 8.554 14.716 1.00 0.00 ATOM 924 O ASN 118 23.523 13.325 15.337 1.00 0.00 ATOM 925 C ASN 118 24.067 12.689 14.433 1.00 0.00 ATOM 926 N THR 119 24.385 13.230 13.261 1.00 0.00 ATOM 927 CA THR 119 24.103 14.631 12.974 1.00 0.00 ATOM 928 CB THR 119 25.273 15.544 12.765 1.00 0.00 ATOM 929 CG2 THR 119 26.125 15.581 14.044 1.00 0.00 ATOM 930 OG1 THR 119 26.067 15.080 11.683 1.00 0.00 ATOM 931 O THR 119 23.596 13.721 10.814 1.00 0.00 ATOM 932 C THR 119 23.328 14.572 11.662 1.00 0.00 ATOM 933 N SER 120 22.326 15.435 11.526 1.00 0.00 ATOM 934 CA SER 120 21.547 15.460 10.340 1.00 0.00 ATOM 935 CB SER 120 20.239 14.701 10.554 1.00 0.00 ATOM 936 OG SER 120 19.427 14.737 9.394 1.00 0.00 ATOM 937 O SER 120 21.043 17.706 10.905 1.00 0.00 ATOM 938 C SER 120 21.088 16.838 10.032 1.00 0.00 ATOM 939 N LEU 121 20.733 17.065 8.771 1.00 0.00 ATOM 940 CA LEU 121 20.263 18.378 8.344 1.00 0.00 ATOM 941 CB LEU 121 21.053 18.910 7.135 1.00 0.00 ATOM 942 CG LEU 121 22.554 19.047 7.399 1.00 0.00 ATOM 943 CD1 LEU 121 23.382 19.495 6.196 1.00 0.00 ATOM 944 CD2 LEU 121 22.928 20.056 8.484 1.00 0.00 ATOM 945 O LEU 121 18.483 17.170 7.365 1.00 0.00 ATOM 946 C LEU 121 18.856 18.218 7.886 1.00 0.00 ATOM 947 N TYR 122 18.019 19.251 8.092 1.00 0.00 ATOM 948 CA TYR 122 16.663 19.118 7.660 1.00 0.00 ATOM 949 CB TYR 122 15.779 19.752 8.743 1.00 0.00 ATOM 950 CG TYR 122 14.327 19.758 8.435 1.00 0.00 ATOM 951 CD1 TYR 122 13.571 18.592 8.481 1.00 0.00 ATOM 952 CD2 TYR 122 13.678 20.948 8.156 1.00 0.00 ATOM 953 CE1 TYR 122 12.182 18.633 8.266 1.00 0.00 ATOM 954 CE2 TYR 122 12.335 21.008 7.941 1.00 0.00 ATOM 955 CZ TYR 122 11.581 19.844 8.000 1.00 0.00 ATOM 956 OH TYR 122 10.245 19.954 7.849 1.00 0.00 ATOM 957 O TYR 122 16.610 20.950 6.140 1.00 0.00 ATOM 958 C TYR 122 16.499 19.738 6.313 1.00 0.00 ATOM 959 N PRO 123 16.252 18.908 5.337 1.00 0.00 ATOM 960 CA PRO 123 16.075 19.454 4.035 1.00 0.00 ATOM 961 CB PRO 123 15.725 18.240 3.215 1.00 0.00 ATOM 962 CG PRO 123 16.777 17.277 3.658 1.00 0.00 ATOM 963 CD PRO 123 16.714 17.403 5.167 1.00 0.00 ATOM 964 O PRO 123 13.845 19.903 4.628 1.00 0.00 ATOM 965 C PRO 123 14.838 20.257 3.993 1.00 0.00 ATOM 966 N GLY 124 14.880 21.359 3.251 1.00 0.00 ATOM 967 CA GLY 124 13.717 22.169 3.165 1.00 0.00 ATOM 968 O GLY 124 13.470 24.357 4.013 1.00 0.00 ATOM 969 C GLY 124 13.870 23.212 4.208 1.00 0.00 ATOM 970 N SER 125 14.479 22.836 5.347 1.00 0.00 ATOM 971 CA SER 125 14.708 23.812 6.359 1.00 0.00 ATOM 972 CB SER 125 15.691 24.902 5.878 1.00 0.00 ATOM 973 OG SER 125 14.945 25.705 5.013 1.00 0.00 ATOM 974 O SER 125 12.368 23.711 6.738 1.00 0.00 ATOM 975 C SER 125 13.411 24.349 6.857 1.00 0.00 ATOM 976 N MET 126 13.489 25.566 7.423 1.00 0.00 ATOM 977 CA MET 126 12.313 26.152 8.061 1.00 0.00 ATOM 978 CB MET 126 12.637 27.483 8.747 1.00 0.00 ATOM 979 CG MET 126 11.610 27.885 9.785 1.00 0.00 ATOM 980 SD MET 126 11.620 26.765 11.193 1.00 0.00 ATOM 981 CE MET 126 10.364 27.533 12.225 1.00 0.00 ATOM 982 O MET 126 9.982 26.169 7.481 1.00 0.00 ATOM 983 C MET 126 11.137 26.358 7.102 1.00 0.00 ATOM 984 N ASN 127 11.445 26.827 5.873 1.00 0.00 ATOM 985 CA ASN 127 10.408 27.274 4.990 1.00 0.00 ATOM 986 CB ASN 127 10.961 27.798 3.650 1.00 0.00 ATOM 987 CG ASN 127 11.603 29.154 3.904 1.00 0.00 ATOM 988 ND2 ASN 127 12.497 29.650 3.008 1.00 0.00 ATOM 989 OD1 ASN 127 11.325 29.808 4.908 1.00 0.00 ATOM 990 O ASN 127 8.241 26.259 4.815 1.00 0.00 ATOM 991 C ASN 127 9.459 26.117 4.693 1.00 0.00 ATOM 992 N ASP 128 10.020 24.958 4.363 1.00 0.00 ATOM 993 CA ASP 128 9.220 23.818 4.071 1.00 0.00 ATOM 994 CB ASP 128 10.129 22.750 3.350 1.00 0.00 ATOM 995 CG ASP 128 10.585 23.185 1.972 1.00 0.00 ATOM 996 OD1 ASP 128 10.099 24.227 1.482 1.00 0.00 ATOM 997 OD2 ASP 128 11.425 22.479 1.374 1.00 0.00 ATOM 998 O ASP 128 7.336 22.841 5.190 1.00 0.00 ATOM 999 C ASP 128 8.471 23.307 5.297 1.00 0.00 ATOM 1000 N TRP 129 9.107 23.397 6.461 1.00 0.00 ATOM 1001 CA TRP 129 8.492 22.950 7.667 1.00 0.00 ATOM 1002 CB TRP 129 9.426 22.997 8.838 1.00 0.00 ATOM 1003 CG TRP 129 8.874 22.432 10.111 1.00 0.00 ATOM 1004 CD1 TRP 129 8.923 23.052 11.332 1.00 0.00 ATOM 1005 CD2 TRP 129 8.202 21.188 10.333 1.00 0.00 ATOM 1006 CE2 TRP 129 7.879 21.116 11.707 1.00 0.00 ATOM 1007 CE3 TRP 129 7.839 20.112 9.512 1.00 0.00 ATOM 1008 NE1 TRP 129 8.345 22.272 12.289 1.00 0.00 ATOM 1009 CZ2 TRP 129 7.212 20.039 12.286 1.00 0.00 ATOM 1010 CZ3 TRP 129 7.168 19.042 10.078 1.00 0.00 ATOM 1011 CH2 TRP 129 6.859 19.011 11.458 1.00 0.00 ATOM 1012 O TRP 129 6.212 23.224 8.291 1.00 0.00 ATOM 1013 C TRP 129 7.261 23.761 7.934 1.00 0.00 ATOM 1014 N VAL 130 7.375 25.075 7.761 1.00 0.00 ATOM 1015 CA VAL 130 6.246 25.968 7.988 1.00 0.00 ATOM 1016 CB VAL 130 6.688 27.428 8.065 1.00 0.00 ATOM 1017 CG1 VAL 130 5.516 28.382 8.251 1.00 0.00 ATOM 1018 CG2 VAL 130 7.652 27.611 9.218 1.00 0.00 ATOM 1019 O VAL 130 4.016 25.853 7.123 1.00 0.00 ATOM 1020 C VAL 130 5.215 25.774 6.879 1.00 0.00 ATOM 1021 N SER 131 5.692 25.527 5.679 1.00 0.00 ATOM 1022 CA SER 131 4.789 25.321 4.558 1.00 0.00 ATOM 1023 CB SER 131 5.512 25.064 3.222 1.00 0.00 ATOM 1024 OG SER 131 6.255 26.212 2.841 1.00 0.00 ATOM 1025 O SER 131 2.691 24.251 4.839 1.00 0.00 ATOM 1026 C SER 131 3.918 24.160 4.887 1.00 0.00 ATOM 1027 N HIS 132 4.535 23.037 5.276 1.00 0.00 ATOM 1028 CA HIS 132 3.749 21.901 5.633 1.00 0.00 ATOM 1029 CB HIS 132 4.570 20.609 5.717 1.00 0.00 ATOM 1030 CG HIS 132 3.718 19.381 5.842 1.00 0.00 ATOM 1031 CD2 HIS 132 3.321 18.480 4.912 1.00 0.00 ATOM 1032 ND1 HIS 132 3.161 18.944 7.025 1.00 0.00 ATOM 1033 CE1 HIS 132 2.473 17.859 6.835 1.00 0.00 ATOM 1034 NE2 HIS 132 2.547 17.547 5.556 1.00 0.00 ATOM 1035 O HIS 132 3.793 22.816 7.810 1.00 0.00 ATOM 1036 C HIS 132 3.178 22.164 6.976 1.00 0.00 ATOM 1037 N GLY 133 1.946 21.718 7.238 1.00 0.00 ATOM 1038 CA GLY 133 1.482 21.999 8.559 1.00 0.00 ATOM 1039 O GLY 133 1.613 20.424 10.355 1.00 0.00 ATOM 1040 C GLY 133 2.182 21.306 9.724 1.00 0.00 ATOM 1041 N GLY 134 3.367 21.717 10.069 1.00 0.00 ATOM 1042 CA GLY 134 4.100 21.094 11.163 1.00 0.00 ATOM 1043 O GLY 134 3.453 22.962 12.437 1.00 0.00 ATOM 1044 C GLY 134 4.074 21.901 12.406 1.00 0.00 ATOM 1045 N ASP 135 4.734 21.405 13.469 1.00 0.00 ATOM 1046 CA ASP 135 4.783 22.162 14.680 1.00 0.00 ATOM 1047 CB ASP 135 5.191 21.261 15.872 1.00 0.00 ATOM 1048 CG ASP 135 5.288 22.000 17.194 1.00 0.00 ATOM 1049 OD1 ASP 135 4.805 23.148 17.282 1.00 0.00 ATOM 1050 OD2 ASP 135 5.842 21.425 18.151 1.00 0.00 ATOM 1051 O ASP 135 6.904 23.229 14.620 1.00 0.00 ATOM 1052 C ASP 135 5.701 23.295 14.373 1.00 0.00 ATOM 1053 N LYS 136 5.128 24.382 13.828 1.00 0.00 ATOM 1054 CA LYS 136 5.877 25.508 13.375 1.00 0.00 ATOM 1055 CB LYS 136 4.737 26.732 13.289 1.00 0.00 ATOM 1056 CG LYS 136 3.326 26.350 12.872 1.00 0.00 ATOM 1057 CD LYS 136 2.280 27.073 13.704 1.00 0.00 ATOM 1058 CE LYS 136 0.878 26.586 13.366 1.00 0.00 ATOM 1059 NZ LYS 136 0.613 26.653 11.901 1.00 0.00 ATOM 1060 O LYS 136 7.776 26.284 14.540 1.00 0.00 ATOM 1061 C LYS 136 6.568 26.064 14.556 1.00 0.00 ATOM 1062 N LEU 137 5.826 26.224 15.657 1.00 0.00 ATOM 1063 CA LEU 137 6.483 26.758 16.798 1.00 0.00 ATOM 1064 CB LEU 137 6.689 28.339 16.461 1.00 0.00 ATOM 1065 CG LEU 137 7.173 29.248 17.611 1.00 0.00 ATOM 1066 CD1 LEU 137 8.575 28.949 18.046 1.00 0.00 ATOM 1067 CD2 LEU 137 7.010 30.674 17.176 1.00 0.00 ATOM 1068 O LEU 137 6.613 26.351 19.166 1.00 0.00 ATOM 1069 C LEU 137 5.861 26.501 18.184 1.00 0.00 ATOM 1070 N ASP 138 4.496 26.753 18.315 1.00 0.00 ATOM 1071 CA ASP 138 3.868 26.681 19.633 1.00 0.00 ATOM 1072 CB ASP 138 2.483 27.337 19.654 1.00 0.00 ATOM 1073 CG ASP 138 2.057 27.487 21.107 1.00 0.00 ATOM 1074 OD1 ASP 138 2.816 27.020 21.998 1.00 0.00 ATOM 1075 OD2 ASP 138 0.966 28.071 21.347 1.00 0.00 ATOM 1076 O ASP 138 2.938 24.465 19.632 1.00 0.00 ATOM 1077 C ASP 138 3.817 25.222 20.060 1.00 0.00 ATOM 1078 N LEU 139 4.829 24.831 20.804 1.00 0.00 ATOM 1079 CA LEU 139 4.978 23.434 21.220 1.00 0.00 ATOM 1080 CB LEU 139 6.285 23.173 21.947 1.00 0.00 ATOM 1081 CG LEU 139 6.445 21.724 22.413 1.00 0.00 ATOM 1082 CD1 LEU 139 6.501 20.688 21.290 1.00 0.00 ATOM 1083 CD2 LEU 139 7.710 21.442 23.221 1.00 0.00 ATOM 1084 O LEU 139 3.487 21.827 22.132 1.00 0.00 ATOM 1085 C LEU 139 3.863 22.995 22.132 1.00 0.00 TER END