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 1 Sat Jun 7 10:52:49 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 36.267 33.894 5.280 1.00 0.00 ATOM 2 CA MET 1 36.009 33.094 4.079 1.00 0.00 ATOM 3 CB MET 1 37.324 32.506 3.649 1.00 0.00 ATOM 4 CG MET 1 37.198 31.577 2.451 1.00 0.00 ATOM 5 SD MET 1 38.789 30.762 2.152 1.00 0.00 ATOM 6 CE MET 1 38.964 29.679 3.531 1.00 0.00 ATOM 7 O MET 1 34.188 31.657 3.681 1.00 0.00 ATOM 8 C MET 1 35.083 31.959 4.449 1.00 0.00 ATOM 9 N TRP 2 35.428 31.255 5.553 1.00 0.00 ATOM 10 CA TRP 2 34.628 30.110 6.005 1.00 0.00 ATOM 11 CB TRP 2 35.203 29.332 7.118 1.00 0.00 ATOM 12 CG TRP 2 35.449 30.026 8.390 1.00 0.00 ATOM 13 CD1 TRP 2 36.598 30.632 8.778 1.00 0.00 ATOM 14 CD2 TRP 2 34.562 30.103 9.511 1.00 0.00 ATOM 15 CE2 TRP 2 35.227 30.819 10.522 1.00 0.00 ATOM 16 CE3 TRP 2 33.263 29.661 9.743 1.00 0.00 ATOM 17 NE1 TRP 2 36.470 31.134 10.049 1.00 0.00 ATOM 18 CZ2 TRP 2 34.636 31.091 11.761 1.00 0.00 ATOM 19 CZ3 TRP 2 32.689 29.930 10.961 1.00 0.00 ATOM 20 CH2 TRP 2 33.378 30.635 11.956 1.00 0.00 ATOM 21 O TRP 2 32.214 29.996 5.999 1.00 0.00 ATOM 22 C TRP 2 33.207 30.560 6.374 1.00 0.00 ATOM 23 N LYS 3 33.071 31.657 7.103 1.00 0.00 ATOM 24 CA LYS 3 31.701 32.144 7.396 1.00 0.00 ATOM 25 CB LYS 3 31.702 33.333 8.344 1.00 0.00 ATOM 26 CG LYS 3 32.296 34.577 7.680 1.00 0.00 ATOM 27 CD LYS 3 32.259 35.743 8.654 1.00 0.00 ATOM 28 CE LYS 3 32.842 37.024 8.076 1.00 0.00 ATOM 29 NZ LYS 3 32.759 38.130 9.035 1.00 0.00 ATOM 30 O LYS 3 31.716 32.715 5.062 1.00 0.00 ATOM 31 C LYS 3 31.036 32.502 6.062 1.00 0.00 ATOM 32 N ALA 4 29.707 32.646 6.113 1.00 0.00 ATOM 33 CA ALA 4 28.910 32.889 4.898 1.00 0.00 ATOM 34 CB ALA 4 29.165 34.340 4.448 1.00 0.00 ATOM 35 O ALA 4 29.251 32.152 2.636 1.00 0.00 ATOM 36 C ALA 4 29.302 31.859 3.820 1.00 0.00 ATOM 37 N VAL 5 29.765 30.672 4.223 1.00 0.00 ATOM 38 CA VAL 5 30.155 29.626 3.238 1.00 0.00 ATOM 39 CB VAL 5 30.416 28.174 3.723 1.00 0.00 ATOM 40 CG1 VAL 5 30.590 27.208 2.549 1.00 0.00 ATOM 41 CG2 VAL 5 31.747 27.895 4.394 1.00 0.00 ATOM 42 O VAL 5 28.952 30.048 1.219 1.00 0.00 ATOM 43 C VAL 5 28.955 29.503 2.299 1.00 0.00 ATOM 44 N MET 6 27.814 29.212 2.906 1.00 0.00 ATOM 45 CA MET 6 26.610 29.089 2.098 1.00 0.00 ATOM 46 CB MET 6 25.491 28.337 2.803 1.00 0.00 ATOM 47 CG MET 6 25.963 26.929 3.149 1.00 0.00 ATOM 48 SD MET 6 26.472 25.806 1.791 1.00 0.00 ATOM 49 CE MET 6 24.983 25.504 0.865 1.00 0.00 ATOM 50 O MET 6 26.166 31.400 2.487 1.00 0.00 ATOM 51 C MET 6 26.146 30.471 1.676 1.00 0.00 ATOM 52 N ASN 7 25.738 30.579 0.422 1.00 0.00 ATOM 53 CA ASN 7 25.149 31.751 -0.216 1.00 0.00 ATOM 54 CB ASN 7 23.984 32.268 0.624 1.00 0.00 ATOM 55 CG ASN 7 22.890 31.219 0.739 1.00 0.00 ATOM 56 ND2 ASN 7 22.255 31.162 1.887 1.00 0.00 ATOM 57 OD1 ASN 7 22.574 30.537 -0.209 1.00 0.00 ATOM 58 O ASN 7 26.201 33.348 -1.587 1.00 0.00 ATOM 59 C ASN 7 26.194 32.814 -0.487 1.00 0.00 ATOM 60 N ALA 8 27.155 33.028 0.402 1.00 0.00 ATOM 61 CA ALA 8 28.271 33.910 -0.011 1.00 0.00 ATOM 62 CB ALA 8 29.201 34.468 1.048 1.00 0.00 ATOM 63 O ALA 8 29.332 33.660 -2.149 1.00 0.00 ATOM 64 C ALA 8 29.074 33.147 -1.059 1.00 0.00 ATOM 65 N TRP 9 29.470 31.922 -0.729 1.00 0.00 ATOM 66 CA TRP 9 30.249 31.089 -1.660 1.00 0.00 ATOM 67 CB TRP 9 30.719 29.817 -0.973 1.00 0.00 ATOM 68 CG TRP 9 31.862 30.066 -0.002 1.00 0.00 ATOM 69 CD1 TRP 9 32.149 31.201 0.613 1.00 0.00 ATOM 70 CD2 TRP 9 32.779 29.106 0.418 1.00 0.00 ATOM 71 CE2 TRP 9 33.603 29.754 1.323 1.00 0.00 ATOM 72 CE3 TRP 9 32.961 27.762 0.123 1.00 0.00 ATOM 73 NE1 TRP 9 33.195 31.004 1.401 1.00 0.00 ATOM 74 CZ2 TRP 9 34.633 29.071 1.939 1.00 0.00 ATOM 75 CZ3 TRP 9 34.000 27.077 0.744 1.00 0.00 ATOM 76 CH2 TRP 9 34.824 27.735 1.637 1.00 0.00 ATOM 77 O TRP 9 29.969 30.817 -4.039 1.00 0.00 ATOM 78 C TRP 9 29.471 30.731 -2.925 1.00 0.00 ATOM 79 N ASN 10 28.259 30.226 -2.741 1.00 0.00 ATOM 80 CA ASN 10 27.401 30.028 -3.919 1.00 0.00 ATOM 81 CB ASN 10 26.119 29.287 -3.614 1.00 0.00 ATOM 82 CG ASN 10 26.372 27.801 -3.426 1.00 0.00 ATOM 83 ND2 ASN 10 25.408 27.155 -2.824 1.00 0.00 ATOM 84 OD1 ASN 10 27.466 27.281 -3.532 1.00 0.00 ATOM 85 O ASN 10 27.031 32.367 -3.723 1.00 0.00 ATOM 86 C ASN 10 27.087 31.399 -4.464 1.00 0.00 ATOM 87 N GLY 11 27.121 31.508 -5.780 1.00 0.00 ATOM 88 CA GLY 11 26.987 32.834 -6.369 1.00 0.00 ATOM 89 O GLY 11 28.552 34.220 -7.430 1.00 0.00 ATOM 90 C GLY 11 28.332 33.544 -6.446 1.00 0.00 ATOM 91 N THR 12 29.282 33.159 -5.600 1.00 0.00 ATOM 92 CA THR 12 30.680 33.547 -5.874 1.00 0.00 ATOM 93 CB THR 12 31.426 34.016 -4.626 1.00 0.00 ATOM 94 CG2 THR 12 30.747 35.278 -4.078 1.00 0.00 ATOM 95 OG1 THR 12 31.558 32.955 -3.680 1.00 0.00 ATOM 96 O THR 12 32.598 32.351 -6.691 1.00 0.00 ATOM 97 C THR 12 31.371 32.366 -6.561 1.00 0.00 ATOM 98 N GLU 13 30.521 31.374 -6.984 1.00 0.00 ATOM 99 CA GLU 13 31.056 30.178 -7.641 1.00 0.00 ATOM 100 CB GLU 13 31.624 30.500 -9.025 1.00 0.00 ATOM 101 CG GLU 13 30.620 30.987 -10.064 1.00 0.00 ATOM 102 CD GLU 13 31.307 31.167 -11.424 1.00 0.00 ATOM 103 OE1 GLU 13 32.529 30.948 -11.547 1.00 0.00 ATOM 104 OE2 GLU 13 30.582 31.520 -12.374 1.00 0.00 ATOM 105 O GLU 13 33.135 28.934 -7.360 1.00 0.00 ATOM 106 C GLU 13 32.144 29.444 -6.830 1.00 0.00 ATOM 107 N SER 14 31.938 29.396 -5.528 1.00 0.00 ATOM 108 CA SER 14 32.895 28.649 -4.701 1.00 0.00 ATOM 109 CB SER 14 32.733 28.958 -3.232 1.00 0.00 ATOM 110 OG SER 14 33.176 30.266 -2.876 1.00 0.00 ATOM 111 O SER 14 31.473 26.746 -5.045 1.00 0.00 ATOM 112 C SER 14 32.618 27.161 -4.853 1.00 0.00 ATOM 113 N GLN 15 33.649 26.392 -4.542 1.00 0.00 ATOM 114 CA GLN 15 33.521 24.930 -4.574 1.00 0.00 ATOM 115 CB GLN 15 34.720 24.238 -5.237 1.00 0.00 ATOM 116 CG GLN 15 34.986 24.705 -6.663 1.00 0.00 ATOM 117 CD GLN 15 33.696 24.694 -7.483 1.00 0.00 ATOM 118 OE1 GLN 15 33.016 23.700 -7.636 1.00 0.00 ATOM 119 NE2 GLN 15 33.414 25.829 -8.046 1.00 0.00 ATOM 120 O GLN 15 34.177 24.654 -2.283 1.00 0.00 ATOM 121 C GLN 15 33.357 24.380 -3.161 1.00 0.00 ATOM 122 N SER 16 32.310 23.589 -2.949 1.00 0.00 ATOM 123 CA SER 16 32.057 23.002 -1.632 1.00 0.00 ATOM 124 CB SER 16 31.681 24.047 -0.576 1.00 0.00 ATOM 125 OG SER 16 30.381 24.597 -0.787 1.00 0.00 ATOM 126 O SER 16 30.076 22.053 -2.597 1.00 0.00 ATOM 127 C SER 16 30.947 21.961 -1.731 1.00 0.00 ATOM 128 N LYS 17 30.947 21.002 -0.809 1.00 0.00 ATOM 129 CA LYS 17 29.930 19.957 -0.805 1.00 0.00 ATOM 130 CB LYS 17 30.421 18.628 -1.384 1.00 0.00 ATOM 131 CG LYS 17 30.903 18.705 -2.822 1.00 0.00 ATOM 132 CD LYS 17 31.313 17.321 -3.281 1.00 0.00 ATOM 133 CE LYS 17 31.674 17.379 -4.770 1.00 0.00 ATOM 134 NZ LYS 17 32.082 16.043 -5.172 1.00 0.00 ATOM 135 O LYS 17 30.385 19.668 1.532 1.00 0.00 ATOM 136 C LYS 17 29.544 19.630 0.633 1.00 0.00 ATOM 137 N ASN 18 28.273 19.305 0.848 1.00 0.00 ATOM 138 CA ASN 18 27.803 18.975 2.171 1.00 0.00 ATOM 139 CB ASN 18 27.107 20.230 2.727 1.00 0.00 ATOM 140 CG ASN 18 27.668 21.590 2.297 1.00 0.00 ATOM 141 ND2 ASN 18 26.864 22.282 1.540 1.00 0.00 ATOM 142 OD1 ASN 18 28.830 21.940 2.427 1.00 0.00 ATOM 143 O ASN 18 26.878 16.845 2.798 1.00 0.00 ATOM 144 C ASN 18 26.734 17.875 2.135 1.00 0.00 ATOM 145 N VAL 19 25.894 17.969 1.103 1.00 0.00 ATOM 146 CA VAL 19 24.738 17.077 0.902 1.00 0.00 ATOM 147 CB VAL 19 23.922 17.496 -0.336 1.00 0.00 ATOM 148 CG1 VAL 19 22.839 16.477 -0.719 1.00 0.00 ATOM 149 CG2 VAL 19 23.233 18.834 -0.113 1.00 0.00 ATOM 150 O VAL 19 24.571 14.709 1.259 1.00 0.00 ATOM 151 C VAL 19 25.183 15.618 0.717 1.00 0.00 ATOM 152 N SER 20 26.276 15.452 -0.026 1.00 0.00 ATOM 153 CA SER 20 26.752 14.097 -0.372 1.00 0.00 ATOM 154 CB SER 20 27.932 14.137 -1.330 1.00 0.00 ATOM 155 OG SER 20 28.949 15.044 -0.898 1.00 0.00 ATOM 156 O SER 20 26.886 12.057 0.883 1.00 0.00 ATOM 157 C SER 20 27.124 13.264 0.851 1.00 0.00 ATOM 158 N ASN 21 27.760 13.900 1.831 1.00 0.00 ATOM 159 CA ASN 21 28.151 13.209 3.025 1.00 0.00 ATOM 160 CB ASN 21 29.680 13.297 3.147 1.00 0.00 ATOM 161 CG ASN 21 30.318 12.531 1.980 1.00 0.00 ATOM 162 ND2 ASN 21 31.146 13.225 1.264 1.00 0.00 ATOM 163 OD1 ASN 21 29.964 11.429 1.591 1.00 0.00 ATOM 164 O ASN 21 27.731 13.300 5.408 1.00 0.00 ATOM 165 C ASN 21 27.310 13.568 4.281 1.00 0.00 ATOM 166 N ILE 22 26.140 14.164 4.073 1.00 0.00 ATOM 167 CA ILE 22 25.275 14.543 5.184 1.00 0.00 ATOM 168 CB ILE 22 25.049 16.062 5.275 1.00 0.00 ATOM 169 CG1 ILE 22 26.397 16.750 5.506 1.00 0.00 ATOM 170 CG2 ILE 22 24.070 16.394 6.421 1.00 0.00 ATOM 171 CD1 ILE 22 26.325 18.277 5.397 1.00 0.00 ATOM 172 O ILE 22 23.307 14.050 3.984 1.00 0.00 ATOM 173 C ILE 22 23.908 13.887 5.029 1.00 0.00 ATOM 174 N GLN 23 23.418 13.376 6.153 1.00 0.00 ATOM 175 CA GLN 23 22.066 12.808 6.286 1.00 0.00 ATOM 176 CB GLN 23 21.920 12.127 7.647 1.00 0.00 ATOM 177 CG GLN 23 22.818 10.905 7.827 1.00 0.00 ATOM 178 CD GLN 23 22.494 9.824 6.788 1.00 0.00 ATOM 179 OE1 GLN 23 21.376 9.434 6.527 1.00 0.00 ATOM 180 NE2 GLN 23 23.496 9.366 6.092 1.00 0.00 ATOM 181 O GLN 23 21.174 14.951 6.885 1.00 0.00 ATOM 182 C GLN 23 21.032 13.926 6.219 1.00 0.00 ATOM 183 N SER 24 20.080 13.775 5.302 1.00 0.00 ATOM 184 CA SER 24 18.920 14.677 5.224 1.00 0.00 ATOM 185 CB SER 24 18.577 15.066 3.802 1.00 0.00 ATOM 186 OG SER 24 19.399 16.173 3.430 1.00 0.00 ATOM 187 O SER 24 17.279 12.943 5.457 1.00 0.00 ATOM 188 C SER 24 17.674 14.047 5.836 1.00 0.00 ATOM 189 N TYR 25 17.096 14.717 6.827 1.00 0.00 ATOM 190 CA TYR 25 15.939 14.216 7.453 1.00 0.00 ATOM 191 CB TYR 25 16.052 14.320 8.975 1.00 0.00 ATOM 192 CG TYR 25 16.763 13.131 9.619 1.00 0.00 ATOM 193 CD1 TYR 25 17.689 12.348 8.942 1.00 0.00 ATOM 194 CD2 TYR 25 16.472 12.843 10.948 1.00 0.00 ATOM 195 CE1 TYR 25 18.325 11.289 9.581 1.00 0.00 ATOM 196 CE2 TYR 25 17.116 11.783 11.593 1.00 0.00 ATOM 197 CZ TYR 25 18.026 11.004 10.904 1.00 0.00 ATOM 198 OH TYR 25 18.632 9.963 11.521 1.00 0.00 ATOM 199 O TYR 25 14.712 16.236 7.039 1.00 0.00 ATOM 200 C TYR 25 14.738 15.007 6.944 1.00 0.00 ATOM 201 N SER 26 13.747 14.305 6.407 1.00 0.00 ATOM 202 CA SER 26 12.576 14.952 5.902 1.00 0.00 ATOM 203 CB SER 26 11.671 13.982 5.155 1.00 0.00 ATOM 204 OG SER 26 11.031 13.056 6.037 1.00 0.00 ATOM 205 O SER 26 11.944 15.105 8.203 1.00 0.00 ATOM 206 C SER 26 11.763 15.508 7.053 1.00 0.00 ATOM 207 N PHE 27 10.799 16.367 6.736 1.00 0.00 ATOM 208 CA PHE 27 9.953 16.966 7.761 1.00 0.00 ATOM 209 CB PHE 27 9.025 17.959 7.087 1.00 0.00 ATOM 210 CG PHE 27 8.043 18.611 8.045 1.00 0.00 ATOM 211 CD1 PHE 27 8.483 19.193 9.220 1.00 0.00 ATOM 212 CD2 PHE 27 6.686 18.462 7.793 1.00 0.00 ATOM 213 CE1 PHE 27 7.573 19.625 10.150 1.00 0.00 ATOM 214 CE2 PHE 27 5.791 18.910 8.743 1.00 0.00 ATOM 215 CZ PHE 27 6.225 19.483 9.905 1.00 0.00 ATOM 216 O PHE 27 8.862 16.158 9.725 1.00 0.00 ATOM 217 C PHE 27 9.142 15.960 8.542 1.00 0.00 ATOM 218 N GLU 28 8.760 14.871 7.882 1.00 0.00 ATOM 219 CA GLU 28 7.976 13.829 8.535 1.00 0.00 ATOM 220 CB GLU 28 7.571 12.746 7.572 1.00 0.00 ATOM 221 CG GLU 28 6.328 13.100 6.771 1.00 0.00 ATOM 222 CD GLU 28 6.089 12.160 5.603 1.00 0.00 ATOM 223 OE1 GLU 28 6.305 10.938 5.761 1.00 0.00 ATOM 224 OE2 GLU 28 5.674 12.645 4.528 1.00 0.00 ATOM 225 O GLU 28 8.321 13.030 10.772 1.00 0.00 ATOM 226 C GLU 28 8.797 13.145 9.640 1.00 0.00 ATOM 227 N ASP 29 10.071 12.872 9.335 1.00 0.00 ATOM 228 CA ASP 29 10.975 12.259 10.334 1.00 0.00 ATOM 229 CB ASP 29 12.356 11.919 9.756 1.00 0.00 ATOM 230 CG ASP 29 12.329 10.775 8.736 1.00 0.00 ATOM 231 OD1 ASP 29 11.387 9.968 8.777 1.00 0.00 ATOM 232 OD2 ASP 29 13.353 10.623 8.048 1.00 0.00 ATOM 233 O ASP 29 11.081 12.824 12.666 1.00 0.00 ATOM 234 C ASP 29 11.143 13.220 11.503 1.00 0.00 ATOM 235 N MET 30 11.361 14.495 11.174 1.00 0.00 ATOM 236 CA MET 30 11.574 15.503 12.202 1.00 0.00 ATOM 237 CB MET 30 12.032 16.825 11.578 1.00 0.00 ATOM 238 CG MET 30 13.495 16.743 11.110 1.00 0.00 ATOM 239 SD MET 30 14.586 15.973 12.363 1.00 0.00 ATOM 240 CE MET 30 14.135 16.927 13.806 1.00 0.00 ATOM 241 O MET 30 10.407 15.808 14.271 1.00 0.00 ATOM 242 C MET 30 10.325 15.676 13.049 1.00 0.00 ATOM 243 N LYS 31 9.163 15.646 12.404 1.00 0.00 ATOM 244 CA LYS 31 7.900 15.801 13.114 1.00 0.00 ATOM 245 CB LYS 31 6.703 15.924 12.167 1.00 0.00 ATOM 246 CG LYS 31 5.462 16.223 13.010 1.00 0.00 ATOM 247 CD LYS 31 4.225 16.360 12.144 1.00 0.00 ATOM 248 CE LYS 31 2.941 16.708 12.892 1.00 0.00 ATOM 249 NZ LYS 31 1.827 16.903 11.946 1.00 0.00 ATOM 250 O LYS 31 7.321 14.808 15.209 1.00 0.00 ATOM 251 C LYS 31 7.716 14.624 14.057 1.00 0.00 ATOM 252 N ARG 32 8.005 13.401 13.583 1.00 0.00 ATOM 253 CA ARG 32 7.891 12.194 14.398 1.00 0.00 ATOM 254 CB ARG 32 8.169 10.927 13.588 1.00 0.00 ATOM 255 CG ARG 32 7.946 9.680 14.442 1.00 0.00 ATOM 256 CD ARG 32 7.928 8.416 13.589 1.00 0.00 ATOM 257 NE ARG 32 9.205 8.201 12.870 1.00 0.00 ATOM 258 CZ ARG 32 9.422 8.379 11.551 1.00 0.00 ATOM 259 NH1 ARG 32 8.489 8.854 10.716 1.00 0.00 ATOM 260 NH2 ARG 32 10.622 8.144 11.060 1.00 0.00 ATOM 261 O ARG 32 8.424 11.998 16.730 1.00 0.00 ATOM 262 C ARG 32 8.823 12.290 15.601 1.00 0.00 ATOM 263 N ILE 33 10.064 12.700 15.359 1.00 0.00 ATOM 264 CA ILE 33 11.064 12.834 16.450 1.00 0.00 ATOM 265 CB ILE 33 12.494 13.078 15.914 1.00 0.00 ATOM 266 CG1 ILE 33 12.971 11.876 15.086 1.00 0.00 ATOM 267 CG2 ILE 33 13.477 13.290 17.064 1.00 0.00 ATOM 268 CD1 ILE 33 14.296 12.110 14.336 1.00 0.00 ATOM 269 O ILE 33 10.688 13.697 18.687 1.00 0.00 ATOM 270 C ILE 33 10.628 13.912 17.468 1.00 0.00 ATOM 271 N VAL 34 10.145 15.052 16.979 1.00 0.00 ATOM 272 CA VAL 34 9.631 16.120 17.856 1.00 0.00 ATOM 273 CB VAL 34 9.249 17.430 17.142 1.00 0.00 ATOM 274 CG1 VAL 34 8.699 18.484 18.117 1.00 0.00 ATOM 275 CG2 VAL 34 10.447 18.045 16.419 1.00 0.00 ATOM 276 O VAL 34 8.381 15.813 19.891 1.00 0.00 ATOM 277 C VAL 34 8.458 15.574 18.686 1.00 0.00 ATOM 278 N GLY 35 7.556 14.844 18.036 1.00 0.00 ATOM 279 CA GLY 35 6.405 14.275 18.727 1.00 0.00 ATOM 280 O GLY 35 6.447 13.443 20.992 1.00 0.00 ATOM 281 C GLY 35 6.903 13.356 19.845 1.00 0.00 ATOM 282 N LYS 36 7.986 12.649 19.543 1.00 0.00 ATOM 283 CA LYS 36 8.620 11.757 20.540 1.00 0.00 ATOM 284 CB LYS 36 9.592 10.820 19.825 1.00 0.00 ATOM 285 CG LYS 36 9.861 9.604 20.703 1.00 0.00 ATOM 286 CD LYS 36 10.175 8.408 19.812 1.00 0.00 ATOM 287 CE LYS 36 9.997 7.084 20.546 1.00 0.00 ATOM 288 NZ LYS 36 11.235 6.964 21.276 1.00 0.00 ATOM 289 O LYS 36 9.697 11.878 22.686 1.00 0.00 ATOM 290 C LYS 36 9.249 12.515 21.728 1.00 0.00 ATOM 291 N HIS 37 9.052 13.831 21.745 1.00 0.00 ATOM 292 CA HIS 37 9.576 14.794 22.736 1.00 0.00 ATOM 293 CB HIS 37 9.162 14.405 24.158 1.00 0.00 ATOM 294 CG HIS 37 7.652 14.305 24.229 1.00 0.00 ATOM 295 CD2 HIS 37 6.901 13.214 24.426 1.00 0.00 ATOM 296 ND1 HIS 37 6.868 15.374 24.226 1.00 0.00 ATOM 297 CE1 HIS 37 5.661 14.937 24.495 1.00 0.00 ATOM 298 NE2 HIS 37 5.648 13.613 24.578 1.00 0.00 ATOM 299 O HIS 37 11.790 15.199 23.603 1.00 0.00 ATOM 300 C HIS 37 11.100 14.926 22.622 1.00 0.00 ATOM 301 N ASP 38 11.598 14.490 21.450 1.00 0.00 ATOM 302 CA ASP 38 13.015 14.608 21.049 1.00 0.00 ATOM 303 CB ASP 38 13.322 16.055 20.705 1.00 0.00 ATOM 304 CG ASP 38 12.546 16.493 19.483 1.00 0.00 ATOM 305 OD1 ASP 38 12.580 15.746 18.486 1.00 0.00 ATOM 306 OD2 ASP 38 11.916 17.558 19.584 1.00 0.00 ATOM 307 O ASP 38 15.156 14.604 22.162 1.00 0.00 ATOM 308 C ASP 38 14.020 14.122 22.086 1.00 0.00 ATOM 309 N PRO 39 13.710 13.045 22.815 1.00 0.00 ATOM 310 CA PRO 39 14.629 12.616 23.861 1.00 0.00 ATOM 311 CB PRO 39 13.857 11.522 24.574 1.00 0.00 ATOM 312 CG PRO 39 13.158 10.863 23.405 1.00 0.00 ATOM 313 CD PRO 39 12.736 11.985 22.492 1.00 0.00 ATOM 314 O PRO 39 15.941 11.625 22.116 1.00 0.00 ATOM 315 C PRO 39 15.937 12.191 23.206 1.00 0.00 ATOM 316 N ASN 40 17.000 12.745 23.772 1.00 0.00 ATOM 317 CA ASN 40 18.363 12.639 23.210 1.00 0.00 ATOM 318 CB ASN 40 18.788 11.162 23.184 1.00 0.00 ATOM 319 CG ASN 40 18.540 10.451 24.512 1.00 0.00 ATOM 320 ND2 ASN 40 17.803 9.337 24.468 1.00 0.00 ATOM 321 OD1 ASN 40 19.003 10.898 25.566 1.00 0.00 ATOM 322 O ASN 40 19.232 12.703 20.962 1.00 0.00 ATOM 323 C ASN 40 18.484 13.202 21.799 1.00 0.00 ATOM 324 N VAL 41 17.809 14.317 21.592 1.00 0.00 ATOM 325 CA VAL 41 17.847 15.000 20.292 1.00 0.00 ATOM 326 CB VAL 41 16.620 14.833 19.389 1.00 0.00 ATOM 327 CG1 VAL 41 16.773 15.519 18.019 1.00 0.00 ATOM 328 CG2 VAL 41 16.371 13.357 19.098 1.00 0.00 ATOM 329 O VAL 41 17.366 16.992 21.582 1.00 0.00 ATOM 330 C VAL 41 17.946 16.469 20.616 1.00 0.00 ATOM 331 N VAL 42 18.758 17.086 19.802 1.00 0.00 ATOM 332 CA VAL 42 18.866 18.520 19.881 1.00 0.00 ATOM 333 CB VAL 42 20.094 18.900 20.695 1.00 0.00 ATOM 334 CG1 VAL 42 20.124 18.394 22.111 1.00 0.00 ATOM 335 CG2 VAL 42 21.426 18.653 20.063 1.00 0.00 ATOM 336 O VAL 42 19.412 18.758 17.538 1.00 0.00 ATOM 337 C VAL 42 18.747 19.146 18.501 1.00 0.00 ATOM 338 N LEU 43 17.842 20.103 18.465 1.00 0.00 ATOM 339 CA LEU 43 17.578 20.873 17.244 1.00 0.00 ATOM 340 CB LEU 43 16.086 21.133 17.116 1.00 0.00 ATOM 341 CG LEU 43 15.122 19.953 17.165 1.00 0.00 ATOM 342 CD1 LEU 43 13.707 20.490 17.201 1.00 0.00 ATOM 343 CD2 LEU 43 15.322 19.054 15.953 1.00 0.00 ATOM 344 O LEU 43 18.233 22.909 18.281 1.00 0.00 ATOM 345 C LEU 43 18.392 22.145 17.322 1.00 0.00 ATOM 346 N VAL 44 19.274 22.332 16.369 1.00 0.00 ATOM 347 CA VAL 44 20.122 23.539 16.360 1.00 0.00 ATOM 348 CB VAL 44 21.626 23.223 16.225 1.00 0.00 ATOM 349 CG1 VAL 44 22.489 24.485 16.137 1.00 0.00 ATOM 350 CG2 VAL 44 22.122 22.422 17.423 1.00 0.00 ATOM 351 O VAL 44 19.736 24.040 14.017 1.00 0.00 ATOM 352 C VAL 44 19.648 24.405 15.194 1.00 0.00 ATOM 353 N ASP 45 19.277 25.612 15.576 1.00 0.00 ATOM 354 CA ASP 45 18.955 26.633 14.583 1.00 0.00 ATOM 355 CB ASP 45 17.792 27.488 15.068 1.00 0.00 ATOM 356 CG ASP 45 17.355 28.433 13.956 1.00 0.00 ATOM 357 OD1 ASP 45 17.931 28.440 12.845 1.00 0.00 ATOM 358 OD2 ASP 45 16.370 29.115 14.238 1.00 0.00 ATOM 359 O ASP 45 20.754 28.081 15.238 1.00 0.00 ATOM 360 C ASP 45 20.223 27.442 14.328 1.00 0.00 ATOM 361 N VAL 46 20.707 27.414 13.091 1.00 0.00 ATOM 362 CA VAL 46 21.907 28.145 12.738 1.00 0.00 ATOM 363 CB VAL 46 22.741 27.389 11.689 1.00 0.00 ATOM 364 CG1 VAL 46 23.078 26.021 12.252 1.00 0.00 ATOM 365 CG2 VAL 46 22.036 27.201 10.345 1.00 0.00 ATOM 366 O VAL 46 22.546 30.277 11.842 1.00 0.00 ATOM 367 C VAL 46 21.624 29.549 12.213 1.00 0.00 ATOM 368 N ARG 47 20.355 29.941 12.221 1.00 0.00 ATOM 369 CA ARG 47 19.965 31.271 11.743 1.00 0.00 ATOM 370 CB ARG 47 18.471 31.253 11.445 1.00 0.00 ATOM 371 CG ARG 47 18.198 30.350 10.245 1.00 0.00 ATOM 372 CD ARG 47 16.714 30.331 9.915 1.00 0.00 ATOM 373 NE ARG 47 15.951 29.757 11.025 1.00 0.00 ATOM 374 CZ ARG 47 14.744 30.205 11.399 1.00 0.00 ATOM 375 NH1 ARG 47 14.113 31.189 10.781 1.00 0.00 ATOM 376 NH2 ARG 47 14.188 29.778 12.494 1.00 0.00 ATOM 377 O ARG 47 20.680 31.978 13.932 1.00 0.00 ATOM 378 C ARG 47 20.305 32.317 12.802 1.00 0.00 ATOM 379 N GLU 48 20.166 33.587 12.399 1.00 0.00 ATOM 380 CA GLU 48 20.446 34.670 13.328 1.00 0.00 ATOM 381 CB GLU 48 20.340 36.020 12.629 1.00 0.00 ATOM 382 CG GLU 48 21.534 36.313 11.733 1.00 0.00 ATOM 383 CD GLU 48 21.408 37.694 11.091 1.00 0.00 ATOM 384 OE1 GLU 48 20.445 38.428 11.413 1.00 0.00 ATOM 385 OE2 GLU 48 22.267 37.929 10.200 1.00 0.00 ATOM 386 O GLU 48 18.235 34.284 14.192 1.00 0.00 ATOM 387 C GLU 48 19.395 34.637 14.447 1.00 0.00 ATOM 388 N PRO 49 19.756 35.148 15.632 1.00 0.00 ATOM 389 CA PRO 49 18.842 35.216 16.775 1.00 0.00 ATOM 390 CB PRO 49 19.628 35.945 17.855 1.00 0.00 ATOM 391 CG PRO 49 21.063 35.543 17.548 1.00 0.00 ATOM 392 CD PRO 49 21.116 35.568 16.027 1.00 0.00 ATOM 393 O PRO 49 16.461 35.506 16.837 1.00 0.00 ATOM 394 C PRO 49 17.541 35.930 16.424 1.00 0.00 ATOM 395 N SER 50 17.645 37.014 15.662 1.00 0.00 ATOM 396 CA SER 50 16.444 37.798 15.250 1.00 0.00 ATOM 397 CB SER 50 16.715 38.857 14.275 1.00 0.00 ATOM 398 OG SER 50 17.487 39.864 14.890 1.00 0.00 ATOM 399 O SER 50 14.281 36.790 14.994 1.00 0.00 ATOM 400 C SER 50 15.442 36.858 14.586 1.00 0.00 ATOM 401 N GLU 51 15.890 36.135 13.565 1.00 0.00 ATOM 402 CA GLU 51 15.020 35.203 12.859 1.00 0.00 ATOM 403 CB GLU 51 15.780 34.518 11.729 1.00 0.00 ATOM 404 CG GLU 51 16.050 35.491 10.577 1.00 0.00 ATOM 405 CD GLU 51 14.739 36.050 10.007 1.00 0.00 ATOM 406 OE1 GLU 51 13.823 35.257 9.718 1.00 0.00 ATOM 407 OE2 GLU 51 14.642 37.282 9.855 1.00 0.00 ATOM 408 O GLU 51 13.328 33.705 13.664 1.00 0.00 ATOM 409 C GLU 51 14.494 34.089 13.758 1.00 0.00 ATOM 410 N TYR 52 15.355 33.574 14.630 1.00 0.00 ATOM 411 CA TYR 52 14.960 32.511 15.537 1.00 0.00 ATOM 412 CB TYR 52 16.204 32.083 16.340 1.00 0.00 ATOM 413 CG TYR 52 15.849 31.413 17.661 1.00 0.00 ATOM 414 CD1 TYR 52 15.585 30.054 17.716 1.00 0.00 ATOM 415 CD2 TYR 52 15.755 32.199 18.811 1.00 0.00 ATOM 416 CE1 TYR 52 15.218 29.473 18.915 1.00 0.00 ATOM 417 CE2 TYR 52 15.398 31.624 20.016 1.00 0.00 ATOM 418 CZ TYR 52 15.130 30.269 20.044 1.00 0.00 ATOM 419 OH TYR 52 14.615 29.675 21.122 1.00 0.00 ATOM 420 O TYR 52 12.824 32.229 16.604 1.00 0.00 ATOM 421 C TYR 52 13.802 32.957 16.437 1.00 0.00 ATOM 422 N SER 53 13.917 34.151 17.009 1.00 0.00 ATOM 423 CA SER 53 12.874 34.675 17.881 1.00 0.00 ATOM 424 CB SER 53 13.205 36.040 18.438 1.00 0.00 ATOM 425 OG SER 53 14.297 35.960 19.351 1.00 0.00 ATOM 426 O SER 53 10.490 34.446 17.742 1.00 0.00 ATOM 427 C SER 53 11.528 34.783 17.172 1.00 0.00 ATOM 428 N ILE 54 11.549 35.255 15.929 1.00 0.00 ATOM 429 CA ILE 54 10.318 35.398 15.154 1.00 0.00 ATOM 430 CB ILE 54 10.497 36.018 13.762 1.00 0.00 ATOM 431 CG1 ILE 54 11.051 37.449 13.801 1.00 0.00 ATOM 432 CG2 ILE 54 9.159 36.061 13.041 1.00 0.00 ATOM 433 CD1 ILE 54 11.369 38.086 12.431 1.00 0.00 ATOM 434 O ILE 54 8.424 33.944 15.499 1.00 0.00 ATOM 435 C ILE 54 9.581 34.043 15.089 1.00 0.00 ATOM 436 N VAL 55 10.254 33.019 14.577 1.00 0.00 ATOM 437 CA VAL 55 9.652 31.695 14.473 1.00 0.00 ATOM 438 CB VAL 55 8.844 31.501 13.163 1.00 0.00 ATOM 439 CG1 VAL 55 9.717 31.487 11.903 1.00 0.00 ATOM 440 CG2 VAL 55 7.947 30.251 13.213 1.00 0.00 ATOM 441 O VAL 55 11.879 30.821 14.290 1.00 0.00 ATOM 442 C VAL 55 10.718 30.618 14.647 1.00 0.00 ATOM 443 N HIS 56 10.316 29.463 15.169 1.00 0.00 ATOM 444 CA HIS 56 11.225 28.416 15.363 1.00 0.00 ATOM 445 CB HIS 56 12.407 28.692 16.304 1.00 0.00 ATOM 446 CG HIS 56 11.965 28.812 17.750 1.00 0.00 ATOM 447 CD2 HIS 56 11.827 29.940 18.444 1.00 0.00 ATOM 448 ND1 HIS 56 11.755 27.790 18.545 1.00 0.00 ATOM 449 CE1 HIS 56 11.493 28.257 19.759 1.00 0.00 ATOM 450 NE2 HIS 56 11.548 29.577 19.690 1.00 0.00 ATOM 451 O HIS 56 9.519 27.102 16.364 1.00 0.00 ATOM 452 C HIS 56 10.598 27.127 15.768 1.00 0.00 ATOM 453 N ILE 57 11.270 26.026 15.449 1.00 0.00 ATOM 454 CA ILE 57 10.760 24.703 15.794 1.00 0.00 ATOM 455 CB ILE 57 11.605 23.575 15.181 1.00 0.00 ATOM 456 CG1 ILE 57 11.627 23.741 13.652 1.00 0.00 ATOM 457 CG2 ILE 57 11.011 22.211 15.586 1.00 0.00 ATOM 458 CD1 ILE 57 12.596 22.785 12.951 1.00 0.00 ATOM 459 O ILE 57 11.798 25.115 17.921 1.00 0.00 ATOM 460 C ILE 57 10.814 24.658 17.324 1.00 0.00 ATOM 461 N PRO 58 9.728 24.216 17.961 1.00 0.00 ATOM 462 CA PRO 58 9.673 24.170 19.431 1.00 0.00 ATOM 463 CB PRO 58 8.368 23.444 19.707 1.00 0.00 ATOM 464 CG PRO 58 7.484 23.875 18.533 1.00 0.00 ATOM 465 CD PRO 58 8.438 23.852 17.353 1.00 0.00 ATOM 466 O PRO 58 11.321 22.424 19.372 1.00 0.00 ATOM 467 C PRO 58 10.851 23.375 19.989 1.00 0.00 ATOM 468 N ALA 59 11.428 23.926 21.063 1.00 0.00 ATOM 469 CA ALA 59 12.588 23.390 21.804 1.00 0.00 ATOM 470 CB ALA 59 12.317 21.949 22.254 1.00 0.00 ATOM 471 O ALA 59 14.926 22.999 21.492 1.00 0.00 ATOM 472 C ALA 59 13.910 23.545 21.066 1.00 0.00 ATOM 473 N SER 60 13.901 24.303 19.953 1.00 0.00 ATOM 474 CA SER 60 15.144 24.527 19.227 1.00 0.00 ATOM 475 CB SER 60 14.907 25.153 17.857 1.00 0.00 ATOM 476 OG SER 60 14.303 24.213 16.968 1.00 0.00 ATOM 477 O SER 60 15.567 26.432 20.623 1.00 0.00 ATOM 478 C SER 60 16.048 25.523 19.945 1.00 0.00 ATOM 479 N ILE 61 17.359 25.352 19.796 1.00 0.00 ATOM 480 CA ILE 61 18.267 26.220 20.417 1.00 0.00 ATOM 481 CB ILE 61 19.248 25.395 21.246 1.00 0.00 ATOM 482 CG1 ILE 61 18.515 24.578 22.303 1.00 0.00 ATOM 483 CG2 ILE 61 20.258 26.268 21.950 1.00 0.00 ATOM 484 CD1 ILE 61 17.525 25.224 23.277 1.00 0.00 ATOM 485 O ILE 61 19.426 26.447 18.329 1.00 0.00 ATOM 486 C ILE 61 18.967 27.016 19.320 1.00 0.00 ATOM 487 N ASN 62 19.113 28.320 19.534 1.00 0.00 ATOM 488 CA ASN 62 19.750 29.138 18.579 1.00 0.00 ATOM 489 CB ASN 62 19.121 30.536 18.585 1.00 0.00 ATOM 490 CG ASN 62 19.644 31.291 17.363 1.00 0.00 ATOM 491 ND2 ASN 62 20.338 32.371 17.613 1.00 0.00 ATOM 492 OD1 ASN 62 19.566 30.865 16.231 1.00 0.00 ATOM 493 O ASN 62 21.733 29.638 19.848 1.00 0.00 ATOM 494 C ASN 62 21.256 29.220 18.792 1.00 0.00 ATOM 495 N VAL 63 21.979 28.834 17.741 1.00 0.00 ATOM 496 CA VAL 63 23.419 29.125 17.643 1.00 0.00 ATOM 497 CB VAL 63 24.332 27.931 17.934 1.00 0.00 ATOM 498 CG1 VAL 63 25.806 28.307 17.863 1.00 0.00 ATOM 499 CG2 VAL 63 24.153 27.636 19.397 1.00 0.00 ATOM 500 O VAL 63 23.664 28.768 15.327 1.00 0.00 ATOM 501 C VAL 63 23.671 29.605 16.237 1.00 0.00 ATOM 502 N PRO 64 24.003 30.887 16.049 1.00 0.00 ATOM 503 CA PRO 64 24.204 31.346 14.672 1.00 0.00 ATOM 504 CB PRO 64 24.219 32.871 14.742 1.00 0.00 ATOM 505 CG PRO 64 24.604 33.186 16.193 1.00 0.00 ATOM 506 CD PRO 64 24.147 31.986 17.028 1.00 0.00 ATOM 507 O PRO 64 26.433 30.471 14.614 1.00 0.00 ATOM 508 C PRO 64 25.406 30.723 13.983 1.00 0.00 ATOM 509 N TYR 65 25.279 30.473 12.683 1.00 0.00 ATOM 510 CA TYR 65 26.369 29.878 11.918 1.00 0.00 ATOM 511 CB TYR 65 25.890 29.664 10.479 1.00 0.00 ATOM 512 CG TYR 65 27.045 29.353 9.519 1.00 0.00 ATOM 513 CD1 TYR 65 27.584 28.073 9.545 1.00 0.00 ATOM 514 CD2 TYR 65 27.626 30.317 8.703 1.00 0.00 ATOM 515 CE1 TYR 65 28.696 27.779 8.759 1.00 0.00 ATOM 516 CE2 TYR 65 28.721 30.007 7.919 1.00 0.00 ATOM 517 CZ TYR 65 29.255 28.738 7.940 1.00 0.00 ATOM 518 OH TYR 65 30.274 28.429 7.118 1.00 0.00 ATOM 519 O TYR 65 28.729 30.313 11.967 1.00 0.00 ATOM 520 C TYR 65 27.607 30.782 11.953 1.00 0.00 ATOM 521 N ARG 66 27.366 32.083 11.876 1.00 0.00 ATOM 522 CA ARG 66 28.466 33.050 11.930 1.00 0.00 ATOM 523 CB ARG 66 27.968 34.477 11.871 1.00 0.00 ATOM 524 CG ARG 66 27.164 34.721 10.609 1.00 0.00 ATOM 525 CD ARG 66 28.056 34.629 9.380 1.00 0.00 ATOM 526 NE ARG 66 27.447 35.498 8.377 1.00 0.00 ATOM 527 CZ ARG 66 26.305 35.331 7.746 1.00 0.00 ATOM 528 NH1 ARG 66 25.481 34.346 8.002 1.00 0.00 ATOM 529 NH2 ARG 66 25.951 36.191 6.841 1.00 0.00 ATOM 530 O ARG 66 30.465 33.387 13.193 1.00 0.00 ATOM 531 C ARG 66 29.270 32.930 13.187 1.00 0.00 ATOM 532 N SER 67 28.703 32.428 14.321 1.00 0.00 ATOM 533 CA SER 67 29.461 32.306 15.549 1.00 0.00 ATOM 534 CB SER 67 28.302 33.122 16.649 1.00 0.00 ATOM 535 OG SER 67 27.452 32.030 16.976 1.00 0.00 ATOM 536 O SER 67 30.500 30.540 16.784 1.00 0.00 ATOM 537 C SER 67 30.015 30.900 15.728 1.00 0.00 ATOM 538 N HIS 68 29.936 30.096 14.692 1.00 0.00 ATOM 539 CA HIS 68 30.164 28.638 14.801 1.00 0.00 ATOM 540 CB HIS 68 29.608 27.875 13.607 1.00 0.00 ATOM 541 CG HIS 68 28.372 27.153 14.167 1.00 0.00 ATOM 542 CD2 HIS 68 27.730 27.447 15.309 1.00 0.00 ATOM 543 ND1 HIS 68 27.769 26.097 13.636 1.00 0.00 ATOM 544 CE1 HIS 68 26.763 25.762 14.454 1.00 0.00 ATOM 545 NE2 HIS 68 26.742 26.595 15.485 1.00 0.00 ATOM 546 O HIS 68 30.585 26.802 16.288 1.00 0.00 ATOM 547 C HIS 68 31.073 27.628 15.517 1.00 0.00 ATOM 548 N PRO 69 32.320 27.443 15.195 1.00 0.00 ATOM 549 CA PRO 69 33.230 26.495 15.855 1.00 0.00 ATOM 550 CB PRO 69 34.523 26.614 15.042 1.00 0.00 ATOM 551 CG PRO 69 34.082 27.172 13.735 1.00 0.00 ATOM 552 CD PRO 69 33.025 28.164 14.124 1.00 0.00 ATOM 553 O PRO 69 33.553 25.820 18.129 1.00 0.00 ATOM 554 C PRO 69 33.386 26.750 17.358 1.00 0.00 ATOM 555 N ASP 70 33.111 27.997 17.716 1.00 0.00 ATOM 556 CA ASP 70 33.343 28.534 19.046 1.00 0.00 ATOM 557 CB ASP 70 33.611 30.015 18.747 1.00 0.00 ATOM 558 CG ASP 70 34.560 30.378 17.568 1.00 0.00 ATOM 559 OD1 ASP 70 34.193 30.123 16.395 1.00 0.00 ATOM 560 OD2 ASP 70 35.610 30.991 17.843 1.00 0.00 ATOM 561 O ASP 70 32.129 28.596 21.162 1.00 0.00 ATOM 562 C ASP 70 32.130 28.270 19.984 1.00 0.00 ATOM 563 N ALA 71 31.221 27.402 19.519 1.00 0.00 ATOM 564 CA ALA 71 30.025 26.992 20.259 1.00 0.00 ATOM 565 CB ALA 71 28.797 27.159 19.378 1.00 0.00 ATOM 566 O ALA 71 29.091 25.062 21.285 1.00 0.00 ATOM 567 C ALA 71 30.090 25.542 20.757 1.00 0.00 ATOM 568 N PHE 72 31.112 24.785 20.348 1.00 0.00 ATOM 569 CA PHE 72 31.339 23.428 20.866 1.00 0.00 ATOM 570 CB PHE 72 31.981 22.565 19.784 1.00 0.00 ATOM 571 CG PHE 72 32.333 21.167 20.303 1.00 0.00 ATOM 572 CD1 PHE 72 31.328 20.237 20.489 1.00 0.00 ATOM 573 CD2 PHE 72 33.645 20.815 20.581 1.00 0.00 ATOM 574 CE1 PHE 72 31.630 18.996 20.981 1.00 0.00 ATOM 575 CE2 PHE 72 33.927 19.540 21.052 1.00 0.00 ATOM 576 CZ PHE 72 32.922 18.608 21.275 1.00 0.00 ATOM 577 O PHE 72 31.801 22.941 23.127 1.00 0.00 ATOM 578 C PHE 72 32.217 23.460 22.108 1.00 0.00 ATOM 579 N ALA 73 33.336 24.172 22.010 1.00 0.00 ATOM 580 CA ALA 73 34.362 24.133 23.057 1.00 0.00 ATOM 581 CB ALA 73 35.677 24.518 22.434 1.00 0.00 ATOM 582 O ALA 73 33.497 26.129 24.067 1.00 0.00 ATOM 583 C ALA 73 33.908 24.981 24.240 1.00 0.00 ATOM 584 N LEU 74 33.984 24.416 25.441 1.00 0.00 ATOM 585 CA LEU 74 33.573 25.144 26.670 1.00 0.00 ATOM 586 CB LEU 74 33.203 24.062 27.702 1.00 0.00 ATOM 587 CG LEU 74 32.989 24.325 29.189 1.00 0.00 ATOM 588 CD1 LEU 74 32.006 25.425 29.523 1.00 0.00 ATOM 589 CD2 LEU 74 32.449 23.041 29.802 1.00 0.00 ATOM 590 O LEU 74 33.967 27.366 27.477 1.00 0.00 ATOM 591 C LEU 74 34.435 26.373 26.918 1.00 0.00 ATOM 592 N ASP 75 35.713 26.281 26.564 1.00 0.00 ATOM 593 CA ASP 75 36.632 27.398 26.752 1.00 0.00 ATOM 594 CB ASP 75 38.050 26.840 26.681 1.00 0.00 ATOM 595 CG ASP 75 38.379 25.772 27.720 1.00 0.00 ATOM 596 OD1 ASP 75 37.966 25.980 28.888 1.00 0.00 ATOM 597 OD2 ASP 75 38.921 24.722 27.318 1.00 0.00 ATOM 598 O ASP 75 36.938 29.650 26.274 1.00 0.00 ATOM 599 C ASP 75 36.435 28.623 25.837 1.00 0.00 ATOM 600 N PRO 76 35.536 28.378 24.776 1.00 0.00 ATOM 601 CA PRO 76 34.949 29.562 24.110 1.00 0.00 ATOM 602 CB PRO 76 34.432 29.126 22.738 1.00 0.00 ATOM 603 CG PRO 76 35.057 27.765 22.493 1.00 0.00 ATOM 604 CD PRO 76 35.970 27.479 23.704 1.00 0.00 ATOM 605 O PRO 76 32.881 29.870 25.313 1.00 0.00 ATOM 606 C PRO 76 33.882 30.368 24.810 1.00 0.00 ATOM 607 N LEU 77 34.016 31.661 24.519 1.00 0.00 ATOM 608 CA LEU 77 33.069 32.698 24.970 1.00 0.00 ATOM 609 CB LEU 77 33.593 34.082 24.572 1.00 0.00 ATOM 610 CG LEU 77 34.895 34.487 25.276 1.00 0.00 ATOM 611 CD1 LEU 77 35.352 35.826 24.705 1.00 0.00 ATOM 612 CD2 LEU 77 34.715 34.628 26.787 1.00 0.00 ATOM 613 O LEU 77 30.646 32.631 24.980 1.00 0.00 ATOM 614 C LEU 77 31.671 32.471 24.316 1.00 0.00 ATOM 615 N GLU 78 31.655 32.032 23.061 1.00 0.00 ATOM 616 CA GLU 78 30.399 31.786 22.362 1.00 0.00 ATOM 617 CB GLU 78 30.618 31.556 20.873 1.00 0.00 ATOM 618 CG GLU 78 31.274 32.736 20.139 1.00 0.00 ATOM 619 CD GLU 78 32.774 32.936 20.411 1.00 0.00 ATOM 620 OE1 GLU 78 33.431 32.087 21.059 1.00 0.00 ATOM 621 OE2 GLU 78 33.246 34.033 20.045 1.00 0.00 ATOM 622 O GLU 78 28.465 30.696 23.263 1.00 0.00 ATOM 623 C GLU 78 29.687 30.646 22.988 1.00 0.00 ATOM 624 N PHE 79 30.360 29.503 23.186 1.00 0.00 ATOM 625 CA PHE 79 29.821 28.338 23.899 1.00 0.00 ATOM 626 CB PHE 79 30.848 27.223 23.950 1.00 0.00 ATOM 627 CG PHE 79 30.345 26.004 24.719 1.00 0.00 ATOM 628 CD1 PHE 79 29.848 24.923 24.023 1.00 0.00 ATOM 629 CD2 PHE 79 30.329 25.957 26.094 1.00 0.00 ATOM 630 CE1 PHE 79 29.360 23.783 24.624 1.00 0.00 ATOM 631 CE2 PHE 79 29.810 24.833 26.710 1.00 0.00 ATOM 632 CZ PHE 79 29.361 23.752 25.999 1.00 0.00 ATOM 633 O PHE 79 28.321 28.305 25.769 1.00 0.00 ATOM 634 C PHE 79 29.381 28.717 25.309 1.00 0.00 ATOM 635 N GLU 80 30.208 29.503 26.006 1.00 0.00 ATOM 636 CA GLU 80 29.902 29.953 27.371 1.00 0.00 ATOM 637 CB GLU 80 31.018 30.907 27.792 1.00 0.00 ATOM 638 CG GLU 80 30.841 31.338 29.254 1.00 0.00 ATOM 639 CD GLU 80 31.809 32.438 29.695 1.00 0.00 ATOM 640 OE1 GLU 80 32.815 32.697 28.993 1.00 0.00 ATOM 641 OE2 GLU 80 31.545 33.007 30.781 1.00 0.00 ATOM 642 O GLU 80 27.736 30.517 28.235 1.00 0.00 ATOM 643 C GLU 80 28.591 30.732 27.375 1.00 0.00 ATOM 644 N LYS 81 28.420 31.613 26.394 1.00 0.00 ATOM 645 CA LYS 81 27.195 32.419 26.296 1.00 0.00 ATOM 646 CB LYS 81 27.332 33.493 25.217 1.00 0.00 ATOM 647 CG LYS 81 28.199 34.646 25.669 1.00 0.00 ATOM 648 CD LYS 81 28.332 35.720 24.612 1.00 0.00 ATOM 649 CE LYS 81 29.375 36.741 25.048 1.00 0.00 ATOM 650 NZ LYS 81 29.530 37.690 23.943 1.00 0.00 ATOM 651 O LYS 81 24.934 31.632 26.503 1.00 0.00 ATOM 652 C LYS 81 26.000 31.550 25.892 1.00 0.00 ATOM 653 N GLN 82 26.184 30.723 24.868 1.00 0.00 ATOM 654 CA GLN 82 25.114 29.850 24.401 1.00 0.00 ATOM 655 CB GLN 82 24.313 30.529 23.283 1.00 0.00 ATOM 656 CG GLN 82 23.708 31.886 23.640 1.00 0.00 ATOM 657 CD GLN 82 22.652 31.766 24.730 1.00 0.00 ATOM 658 OE1 GLN 82 22.076 30.730 25.018 1.00 0.00 ATOM 659 NE2 GLN 82 22.555 32.819 25.509 1.00 0.00 ATOM 660 O GLN 82 26.794 28.402 23.483 1.00 0.00 ATOM 661 C GLN 82 25.615 28.530 23.828 1.00 0.00 ATOM 662 N ILE 83 24.737 27.560 23.760 1.00 0.00 ATOM 663 CA ILE 83 25.078 26.252 23.208 1.00 0.00 ATOM 664 CB ILE 83 25.212 25.215 24.343 1.00 0.00 ATOM 665 CG1 ILE 83 25.355 23.759 23.888 1.00 0.00 ATOM 666 CG2 ILE 83 24.061 25.249 25.329 1.00 0.00 ATOM 667 CD1 ILE 83 26.578 23.516 23.019 1.00 0.00 ATOM 668 O ILE 83 23.003 26.635 22.138 1.00 0.00 ATOM 669 C ILE 83 24.008 25.939 22.159 1.00 0.00 ATOM 670 N GLY 84 24.386 25.133 21.171 1.00 0.00 ATOM 671 CA GLY 84 23.520 24.661 20.070 1.00 0.00 ATOM 672 O GLY 84 21.599 23.288 19.977 1.00 0.00 ATOM 673 C GLY 84 22.707 23.467 20.436 1.00 0.00 ATOM 674 N ILE 85 23.450 22.644 21.153 1.00 0.00 ATOM 675 CA ILE 85 22.936 21.430 21.774 1.00 0.00 ATOM 676 CB ILE 85 24.142 20.616 22.247 1.00 0.00 ATOM 677 CG1 ILE 85 24.988 20.133 21.049 1.00 0.00 ATOM 678 CG2 ILE 85 23.626 19.466 23.097 1.00 0.00 ATOM 679 CD1 ILE 85 26.205 19.300 21.445 1.00 0.00 ATOM 680 O ILE 85 22.545 22.439 23.912 1.00 0.00 ATOM 681 C ILE 85 22.026 21.892 22.938 1.00 0.00 ATOM 682 N PRO 86 20.716 21.594 22.871 1.00 0.00 ATOM 683 CA PRO 86 19.803 21.710 24.009 1.00 0.00 ATOM 684 CB PRO 86 18.520 21.018 23.531 1.00 0.00 ATOM 685 CG PRO 86 18.447 21.372 22.053 1.00 0.00 ATOM 686 CD PRO 86 19.886 21.745 21.662 1.00 0.00 ATOM 687 O PRO 86 20.210 22.054 26.348 1.00 0.00 ATOM 688 C PRO 86 20.342 21.308 25.377 1.00 0.00 ATOM 689 N LYS 87 20.989 20.149 25.443 1.00 0.00 ATOM 690 CA LYS 87 21.560 19.654 26.717 1.00 0.00 ATOM 691 CB LYS 87 21.936 18.204 26.701 1.00 0.00 ATOM 692 CG LYS 87 22.512 17.423 27.859 1.00 0.00 ATOM 693 CD LYS 87 21.472 17.006 28.899 1.00 0.00 ATOM 694 CE LYS 87 22.133 15.938 29.764 1.00 0.00 ATOM 695 NZ LYS 87 22.540 14.810 28.916 1.00 0.00 ATOM 696 O LYS 87 23.703 20.256 25.918 1.00 0.00 ATOM 697 C LYS 87 22.925 20.314 26.869 1.00 0.00 ATOM 698 N PRO 88 23.306 20.493 28.131 1.00 0.00 ATOM 699 CA PRO 88 24.673 20.911 28.449 1.00 0.00 ATOM 700 CB PRO 88 24.529 21.260 29.930 1.00 0.00 ATOM 701 CG PRO 88 23.076 21.614 30.168 1.00 0.00 ATOM 702 CD PRO 88 22.370 20.615 29.281 1.00 0.00 ATOM 703 O PRO 88 25.537 18.743 28.947 1.00 0.00 ATOM 704 C PRO 88 25.548 19.671 28.144 1.00 0.00 ATOM 705 N ASP 89 26.271 19.670 27.036 1.00 0.00 ATOM 706 CA ASP 89 27.162 18.596 26.521 1.00 0.00 ATOM 707 CB ASP 89 28.027 18.157 27.649 1.00 0.00 ATOM 708 CG ASP 89 28.936 17.075 27.108 1.00 0.00 ATOM 709 OD1 ASP 89 29.253 17.104 25.913 1.00 0.00 ATOM 710 OD2 ASP 89 29.395 16.143 27.800 1.00 0.00 ATOM 711 O ASP 89 25.907 16.651 27.168 1.00 0.00 ATOM 712 C ASP 89 26.378 17.309 26.244 1.00 0.00 ATOM 713 N SER 90 26.322 16.964 24.938 1.00 0.00 ATOM 714 CA SER 90 25.574 15.768 24.620 1.00 0.00 ATOM 715 CB SER 90 24.193 16.290 24.296 1.00 0.00 ATOM 716 OG SER 90 24.140 16.629 22.914 1.00 0.00 ATOM 717 O SER 90 26.495 15.414 22.422 1.00 0.00 ATOM 718 C SER 90 26.136 14.920 23.496 1.00 0.00 ATOM 719 N ALA 91 25.818 13.655 23.639 1.00 0.00 ATOM 720 CA ALA 91 25.999 12.775 22.486 1.00 0.00 ATOM 721 CB ALA 91 26.886 11.648 22.935 1.00 0.00 ATOM 722 O ALA 91 24.252 11.278 21.653 1.00 0.00 ATOM 723 C ALA 91 24.614 12.420 21.928 1.00 0.00 ATOM 724 N LYS 92 23.909 13.520 21.726 1.00 0.00 ATOM 725 CA LYS 92 22.541 13.528 21.197 1.00 0.00 ATOM 726 CB LYS 92 21.858 14.792 21.637 1.00 0.00 ATOM 727 CG LYS 92 21.658 14.595 23.116 1.00 0.00 ATOM 728 CD LYS 92 20.738 15.704 23.456 1.00 0.00 ATOM 729 CE LYS 92 20.748 16.019 24.891 1.00 0.00 ATOM 730 NZ LYS 92 20.215 14.981 25.689 1.00 0.00 ATOM 731 O LYS 92 23.480 13.837 19.034 1.00 0.00 ATOM 732 C LYS 92 22.499 13.483 19.684 1.00 0.00 ATOM 733 N GLU 93 21.334 13.146 19.176 1.00 0.00 ATOM 734 CA GLU 93 21.124 13.290 17.727 1.00 0.00 ATOM 735 CB GLU 93 19.930 12.451 17.276 1.00 0.00 ATOM 736 CG GLU 93 20.189 10.953 17.438 1.00 0.00 ATOM 737 CD GLU 93 19.162 10.076 16.717 1.00 0.00 ATOM 738 OE1 GLU 93 18.367 10.562 15.898 1.00 0.00 ATOM 739 OE2 GLU 93 19.222 8.853 16.952 1.00 0.00 ATOM 740 O GLU 93 19.907 15.331 17.973 1.00 0.00 ATOM 741 C GLU 93 20.879 14.761 17.476 1.00 0.00 ATOM 742 N LEU 94 21.710 15.361 16.628 1.00 0.00 ATOM 743 CA LEU 94 21.569 16.776 16.307 1.00 0.00 ATOM 744 CB LEU 94 22.914 17.499 16.388 1.00 0.00 ATOM 745 CG LEU 94 24.017 17.076 17.361 1.00 0.00 ATOM 746 CD1 LEU 94 25.114 18.132 17.361 1.00 0.00 ATOM 747 CD2 LEU 94 23.606 16.914 18.820 1.00 0.00 ATOM 748 O LEU 94 21.586 16.729 13.909 1.00 0.00 ATOM 749 C LEU 94 21.000 17.095 14.929 1.00 0.00 ATOM 750 N ILE 95 19.889 17.823 14.898 1.00 0.00 ATOM 751 CA ILE 95 19.265 18.186 13.642 1.00 0.00 ATOM 752 CB ILE 95 17.775 17.826 13.756 1.00 0.00 ATOM 753 CG1 ILE 95 17.600 16.324 14.024 1.00 0.00 ATOM 754 CG2 ILE 95 16.917 18.299 12.578 1.00 0.00 ATOM 755 CD1 ILE 95 18.014 15.450 12.834 1.00 0.00 ATOM 756 O ILE 95 19.129 20.516 14.211 1.00 0.00 ATOM 757 C ILE 95 19.527 19.674 13.405 1.00 0.00 ATOM 758 N PHE 96 20.195 19.992 12.300 1.00 0.00 ATOM 759 CA PHE 96 20.498 21.381 11.975 1.00 0.00 ATOM 760 CB PHE 96 21.887 21.508 11.379 1.00 0.00 ATOM 761 CG PHE 96 22.975 21.129 12.373 1.00 0.00 ATOM 762 CD1 PHE 96 23.430 22.096 13.244 1.00 0.00 ATOM 763 CD2 PHE 96 23.515 19.845 12.369 1.00 0.00 ATOM 764 CE1 PHE 96 24.437 21.786 14.129 1.00 0.00 ATOM 765 CE2 PHE 96 24.533 19.541 13.261 1.00 0.00 ATOM 766 CZ PHE 96 24.984 20.519 14.140 1.00 0.00 ATOM 767 O PHE 96 19.344 21.309 9.836 1.00 0.00 ATOM 768 C PHE 96 19.523 21.892 10.910 1.00 0.00 ATOM 769 N TYR 97 18.985 23.066 11.169 1.00 0.00 ATOM 770 CA TYR 97 18.138 23.708 10.154 1.00 0.00 ATOM 771 CB TYR 97 16.650 23.382 10.364 1.00 0.00 ATOM 772 CG TYR 97 16.095 24.073 11.605 1.00 0.00 ATOM 773 CD1 TYR 97 15.636 25.366 11.482 1.00 0.00 ATOM 774 CD2 TYR 97 16.174 23.466 12.847 1.00 0.00 ATOM 775 CE1 TYR 97 15.250 26.043 12.622 1.00 0.00 ATOM 776 CE2 TYR 97 15.759 24.140 13.991 1.00 0.00 ATOM 777 CZ TYR 97 15.288 25.447 13.871 1.00 0.00 ATOM 778 OH TYR 97 14.764 26.089 14.943 1.00 0.00 ATOM 779 O TYR 97 18.834 25.838 11.062 1.00 0.00 ATOM 780 C TYR 97 18.395 25.205 10.104 1.00 0.00 ATOM 781 N CYS 98 18.082 25.738 8.939 1.00 0.00 ATOM 782 CA CYS 98 18.123 27.186 8.725 1.00 0.00 ATOM 783 CB CYS 98 19.408 27.555 7.985 1.00 0.00 ATOM 784 SG CYS 98 19.553 26.708 6.371 1.00 0.00 ATOM 785 O CYS 98 15.873 26.821 7.977 1.00 0.00 ATOM 786 C CYS 98 16.866 27.550 7.942 1.00 0.00 ATOM 787 N ALA 99 16.932 28.639 7.185 1.00 0.00 ATOM 788 CA ALA 99 15.784 29.086 6.384 1.00 0.00 ATOM 789 CB ALA 99 15.436 30.560 6.539 1.00 0.00 ATOM 790 O ALA 99 14.800 28.881 4.210 1.00 0.00 ATOM 791 C ALA 99 15.704 28.534 4.972 1.00 0.00 ATOM 792 N SER 100 16.652 27.671 4.621 1.00 0.00 ATOM 793 CA SER 100 16.674 27.075 3.290 1.00 0.00 ATOM 794 CB SER 100 17.062 28.145 2.289 1.00 0.00 ATOM 795 OG SER 100 18.381 28.595 2.506 1.00 0.00 ATOM 796 O SER 100 17.493 25.176 2.073 1.00 0.00 ATOM 797 C SER 100 17.490 25.796 3.138 1.00 0.00 ATOM 798 N GLY 101 18.181 25.401 4.203 1.00 0.00 ATOM 799 CA GLY 101 18.998 24.186 4.171 1.00 0.00 ATOM 800 O GLY 101 21.289 23.506 4.156 1.00 0.00 ATOM 801 C GLY 101 20.467 24.330 3.760 1.00 0.00 ATOM 802 N LYS 102 20.790 25.454 3.129 1.00 0.00 ATOM 803 CA LYS 102 22.165 25.727 2.675 1.00 0.00 ATOM 804 CB LYS 102 22.183 26.961 1.776 1.00 0.00 ATOM 805 CG LYS 102 21.627 26.571 0.420 1.00 0.00 ATOM 806 CD LYS 102 21.549 27.840 -0.401 1.00 0.00 ATOM 807 CE LYS 102 20.714 27.580 -1.629 1.00 0.00 ATOM 808 NZ LYS 102 20.443 28.872 -2.256 1.00 0.00 ATOM 809 O LYS 102 24.079 25.169 4.004 1.00 0.00 ATOM 810 C LYS 102 23.138 25.930 3.844 1.00 0.00 ATOM 811 N ARG 103 22.772 26.852 4.728 1.00 0.00 ATOM 812 CA ARG 103 23.639 27.208 5.874 1.00 0.00 ATOM 813 CB ARG 103 23.086 28.387 6.652 1.00 0.00 ATOM 814 CG ARG 103 23.243 29.637 5.812 1.00 0.00 ATOM 815 CD ARG 103 22.547 30.757 6.542 1.00 0.00 ATOM 816 NE ARG 103 22.642 32.028 5.852 1.00 0.00 ATOM 817 CZ ARG 103 22.161 33.179 6.304 1.00 0.00 ATOM 818 NH1 ARG 103 21.548 33.184 7.498 1.00 0.00 ATOM 819 NH2 ARG 103 22.374 34.229 5.502 1.00 0.00 ATOM 820 O ARG 103 24.828 25.853 7.456 1.00 0.00 ATOM 821 C ARG 103 23.781 26.031 6.833 1.00 0.00 ATOM 822 N GLY 104 22.702 25.274 7.009 1.00 0.00 ATOM 823 CA GLY 104 22.725 24.121 7.900 1.00 0.00 ATOM 824 O GLY 104 24.333 22.336 8.308 1.00 0.00 ATOM 825 C GLY 104 23.817 23.071 7.465 1.00 0.00 ATOM 826 N GLY 105 24.080 22.969 6.166 1.00 0.00 ATOM 827 CA GLY 105 25.076 22.028 5.667 1.00 0.00 ATOM 828 O GLY 105 27.081 21.369 6.807 1.00 0.00 ATOM 829 C GLY 105 26.409 22.297 6.356 1.00 0.00 ATOM 830 N GLU 106 26.790 23.568 6.436 1.00 0.00 ATOM 831 CA GLU 106 28.034 23.934 7.070 1.00 0.00 ATOM 832 CB GLU 106 28.294 25.412 6.877 1.00 0.00 ATOM 833 CG GLU 106 28.756 25.751 5.470 1.00 0.00 ATOM 834 CD GLU 106 29.986 24.929 5.057 1.00 0.00 ATOM 835 OE1 GLU 106 30.970 24.839 5.834 1.00 0.00 ATOM 836 OE2 GLU 106 29.883 24.348 3.960 1.00 0.00 ATOM 837 O GLU 106 29.058 23.102 9.067 1.00 0.00 ATOM 838 C GLU 106 28.050 23.580 8.546 1.00 0.00 ATOM 839 N ALA 107 26.934 23.824 9.225 1.00 0.00 ATOM 840 CA ALA 107 26.833 23.522 10.648 1.00 0.00 ATOM 841 CB ALA 107 25.529 24.052 11.197 1.00 0.00 ATOM 842 O ALA 107 27.602 21.609 11.883 1.00 0.00 ATOM 843 C ALA 107 26.950 22.025 10.928 1.00 0.00 ATOM 844 N GLN 108 26.399 21.239 9.997 1.00 0.00 ATOM 845 CA GLN 108 26.534 19.771 10.069 1.00 0.00 ATOM 846 CB GLN 108 25.684 19.116 8.992 1.00 0.00 ATOM 847 CG GLN 108 25.569 17.608 9.183 1.00 0.00 ATOM 848 CD GLN 108 26.746 16.807 8.628 1.00 0.00 ATOM 849 OE1 GLN 108 27.723 17.276 8.063 1.00 0.00 ATOM 850 NE2 GLN 108 26.662 15.528 8.819 1.00 0.00 ATOM 851 O GLN 108 28.518 18.581 10.751 1.00 0.00 ATOM 852 C GLN 108 28.025 19.393 9.966 1.00 0.00 ATOM 853 N LYS 109 28.726 19.977 8.999 1.00 0.00 ATOM 854 CA LYS 109 30.144 19.691 8.815 1.00 0.00 ATOM 855 CB LYS 109 30.710 20.548 7.685 1.00 0.00 ATOM 856 CG LYS 109 30.175 20.166 6.309 1.00 0.00 ATOM 857 CD LYS 109 30.437 21.241 5.270 1.00 0.00 ATOM 858 CE LYS 109 31.916 21.516 5.098 1.00 0.00 ATOM 859 NZ LYS 109 32.143 22.530 4.028 1.00 0.00 ATOM 860 O LYS 109 31.778 19.211 10.529 1.00 0.00 ATOM 861 C LYS 109 30.930 20.001 10.111 1.00 0.00 ATOM 862 N VAL 110 30.643 21.143 10.729 1.00 0.00 ATOM 863 CA VAL 110 31.325 21.528 11.959 1.00 0.00 ATOM 864 CB VAL 110 30.843 22.889 12.481 1.00 0.00 ATOM 865 CG1 VAL 110 31.399 23.282 13.864 1.00 0.00 ATOM 866 CG2 VAL 110 31.435 23.910 11.546 1.00 0.00 ATOM 867 O VAL 110 31.969 20.046 13.731 1.00 0.00 ATOM 868 C VAL 110 31.049 20.502 13.053 1.00 0.00 ATOM 869 N ALA 111 29.780 20.142 13.222 1.00 0.00 ATOM 870 CA ALA 111 29.404 19.169 14.234 1.00 0.00 ATOM 871 CB ALA 111 27.903 18.978 14.191 1.00 0.00 ATOM 872 O ALA 111 30.646 17.202 14.867 1.00 0.00 ATOM 873 C ALA 111 30.132 17.843 13.949 1.00 0.00 ATOM 874 N SER 112 30.171 17.442 12.681 1.00 0.00 ATOM 875 CA SER 112 30.837 16.202 12.300 1.00 0.00 ATOM 876 CB SER 112 30.551 15.827 10.824 1.00 0.00 ATOM 877 OG SER 112 29.155 15.595 10.651 1.00 0.00 ATOM 878 O SER 112 32.971 15.323 13.042 1.00 0.00 ATOM 879 C SER 112 32.363 16.299 12.602 1.00 0.00 ATOM 880 N SER 113 32.952 17.467 12.363 1.00 0.00 ATOM 881 CA SER 113 34.375 17.661 12.614 1.00 0.00 ATOM 882 CB SER 113 34.839 19.068 12.246 1.00 0.00 ATOM 883 OG SER 113 34.666 19.325 10.852 1.00 0.00 ATOM 884 O SER 113 35.735 16.955 14.449 1.00 0.00 ATOM 885 C SER 113 34.675 17.461 14.100 1.00 0.00 ATOM 886 N HIS 114 33.743 17.897 14.952 1.00 0.00 ATOM 887 CA HIS 114 33.902 17.723 16.399 1.00 0.00 ATOM 888 CB HIS 114 33.154 18.811 17.167 1.00 0.00 ATOM 889 CG HIS 114 33.654 20.206 16.848 1.00 0.00 ATOM 890 CD2 HIS 114 33.168 21.043 15.938 1.00 0.00 ATOM 891 ND1 HIS 114 34.655 20.800 17.471 1.00 0.00 ATOM 892 CE1 HIS 114 34.770 22.022 16.968 1.00 0.00 ATOM 893 NE2 HIS 114 33.875 22.157 15.995 1.00 0.00 ATOM 894 O HIS 114 33.624 15.969 18.011 1.00 0.00 ATOM 895 C HIS 114 33.582 16.293 16.824 1.00 0.00 ATOM 896 N GLY 115 33.187 15.463 15.863 1.00 0.00 ATOM 897 CA GLY 115 32.853 14.055 16.154 1.00 0.00 ATOM 898 O GLY 115 31.372 12.693 17.418 1.00 0.00 ATOM 899 C GLY 115 31.511 13.739 16.774 1.00 0.00 ATOM 900 N TYR 116 30.543 14.674 16.618 1.00 0.00 ATOM 901 CA TYR 116 29.225 14.386 17.163 1.00 0.00 ATOM 902 CB TYR 116 28.383 15.369 17.967 1.00 0.00 ATOM 903 CG TYR 116 28.871 15.197 19.409 1.00 0.00 ATOM 904 CD1 TYR 116 29.727 16.120 19.975 1.00 0.00 ATOM 905 CD2 TYR 116 28.559 14.045 20.133 1.00 0.00 ATOM 906 CE1 TYR 116 30.257 15.916 21.242 1.00 0.00 ATOM 907 CE2 TYR 116 29.082 13.874 21.404 1.00 0.00 ATOM 908 CZ TYR 116 29.911 14.815 21.962 1.00 0.00 ATOM 909 OH TYR 116 30.444 14.716 23.194 1.00 0.00 ATOM 910 O TYR 116 28.368 13.679 15.014 1.00 0.00 ATOM 911 C TYR 116 28.480 13.475 16.220 1.00 0.00 ATOM 912 N SER 117 28.303 12.303 16.812 1.00 0.00 ATOM 913 CA SER 117 27.606 11.233 16.101 1.00 0.00 ATOM 914 CB SER 117 27.730 9.876 16.766 1.00 0.00 ATOM 915 OG SER 117 26.942 9.866 17.944 1.00 0.00 ATOM 916 O SER 117 25.643 12.503 16.684 1.00 0.00 ATOM 917 C SER 117 26.148 11.638 15.978 1.00 0.00 ATOM 918 N ASN 118 25.528 11.054 14.966 1.00 0.00 ATOM 919 CA ASN 118 24.129 11.281 14.635 1.00 0.00 ATOM 920 CB ASN 118 23.262 10.624 15.718 1.00 0.00 ATOM 921 CG ASN 118 23.398 9.111 15.646 1.00 0.00 ATOM 922 ND2 ASN 118 23.187 8.501 16.745 1.00 0.00 ATOM 923 OD1 ASN 118 23.927 8.489 14.737 1.00 0.00 ATOM 924 O ASN 118 23.358 13.447 15.396 1.00 0.00 ATOM 925 C ASN 118 23.868 12.776 14.507 1.00 0.00 ATOM 926 N THR 119 24.229 13.305 13.360 1.00 0.00 ATOM 927 CA THR 119 23.889 14.684 12.969 1.00 0.00 ATOM 928 CB THR 119 25.090 15.633 12.881 1.00 0.00 ATOM 929 CG2 THR 119 25.864 15.708 14.199 1.00 0.00 ATOM 930 OG1 THR 119 25.939 15.210 11.815 1.00 0.00 ATOM 931 O THR 119 23.596 13.857 10.687 1.00 0.00 ATOM 932 C THR 119 23.205 14.590 11.605 1.00 0.00 ATOM 933 N SER 120 22.166 15.396 11.494 1.00 0.00 ATOM 934 CA SER 120 21.378 15.474 10.260 1.00 0.00 ATOM 935 CB SER 120 19.981 14.910 10.464 1.00 0.00 ATOM 936 OG SER 120 20.009 13.513 10.704 1.00 0.00 ATOM 937 O SER 120 21.161 17.792 10.808 1.00 0.00 ATOM 938 C SER 120 21.048 16.924 9.941 1.00 0.00 ATOM 939 N LEU 121 20.719 17.109 8.668 1.00 0.00 ATOM 940 CA LEU 121 20.187 18.373 8.135 1.00 0.00 ATOM 941 CB LEU 121 20.917 18.804 6.887 1.00 0.00 ATOM 942 CG LEU 121 22.373 19.083 7.164 1.00 0.00 ATOM 943 CD1 LEU 121 22.981 19.395 5.809 1.00 0.00 ATOM 944 CD2 LEU 121 22.521 20.226 8.162 1.00 0.00 ATOM 945 O LEU 121 18.300 17.252 7.197 1.00 0.00 ATOM 946 C LEU 121 18.722 18.273 7.745 1.00 0.00 ATOM 947 N TYR 122 17.952 19.335 7.963 1.00 0.00 ATOM 948 CA TYR 122 16.555 19.284 7.558 1.00 0.00 ATOM 949 CB TYR 122 15.671 20.072 8.537 1.00 0.00 ATOM 950 CG TYR 122 14.228 20.145 8.011 1.00 0.00 ATOM 951 CD1 TYR 122 13.563 21.350 7.977 1.00 0.00 ATOM 952 CD2 TYR 122 13.596 19.008 7.522 1.00 0.00 ATOM 953 CE1 TYR 122 12.277 21.415 7.475 1.00 0.00 ATOM 954 CE2 TYR 122 12.323 19.092 6.990 1.00 0.00 ATOM 955 CZ TYR 122 11.661 20.295 6.970 1.00 0.00 ATOM 956 OH TYR 122 10.366 20.424 6.649 1.00 0.00 ATOM 957 O TYR 122 16.421 21.110 6.024 1.00 0.00 ATOM 958 C TYR 122 16.402 19.877 6.166 1.00 0.00 ATOM 959 N PRO 123 16.113 19.047 5.174 1.00 0.00 ATOM 960 CA PRO 123 15.865 19.546 3.825 1.00 0.00 ATOM 961 CB PRO 123 15.513 18.291 3.062 1.00 0.00 ATOM 962 CG PRO 123 16.506 17.309 3.610 1.00 0.00 ATOM 963 CD PRO 123 16.397 17.547 5.102 1.00 0.00 ATOM 964 O PRO 123 13.563 19.972 4.342 1.00 0.00 ATOM 965 C PRO 123 14.576 20.366 3.768 1.00 0.00 ATOM 966 N GLY 124 14.658 21.408 3.029 1.00 0.00 ATOM 967 CA GLY 124 13.511 22.325 2.974 1.00 0.00 ATOM 968 O GLY 124 13.071 24.441 3.879 1.00 0.00 ATOM 969 C GLY 124 13.544 23.333 4.114 1.00 0.00 ATOM 970 N SER 125 14.267 23.001 5.198 1.00 0.00 ATOM 971 CA SER 125 14.547 23.908 6.322 1.00 0.00 ATOM 972 CB SER 125 15.512 24.981 5.818 1.00 0.00 ATOM 973 OG SER 125 14.758 25.911 5.036 1.00 0.00 ATOM 974 O SER 125 12.134 24.119 6.421 1.00 0.00 ATOM 975 C SER 125 13.222 24.500 6.851 1.00 0.00 ATOM 976 N MET 126 13.325 25.632 7.516 1.00 0.00 ATOM 977 CA MET 126 12.153 26.295 8.105 1.00 0.00 ATOM 978 CB MET 126 12.660 27.496 8.903 1.00 0.00 ATOM 979 CG MET 126 11.533 28.222 9.649 1.00 0.00 ATOM 980 SD MET 126 10.593 29.360 8.575 1.00 0.00 ATOM 981 CE MET 126 11.855 30.591 8.353 1.00 0.00 ATOM 982 O MET 126 9.891 26.594 7.365 1.00 0.00 ATOM 983 C MET 126 11.085 26.628 7.068 1.00 0.00 ATOM 984 N ASN 127 11.518 26.948 5.852 1.00 0.00 ATOM 985 CA ASN 127 10.576 27.287 4.761 1.00 0.00 ATOM 986 CB ASN 127 11.337 27.670 3.502 1.00 0.00 ATOM 987 CG ASN 127 11.846 29.083 3.672 1.00 0.00 ATOM 988 ND2 ASN 127 12.713 29.460 2.777 1.00 0.00 ATOM 989 OD1 ASN 127 11.642 29.743 4.688 1.00 0.00 ATOM 990 O ASN 127 8.425 26.236 4.600 1.00 0.00 ATOM 991 C ASN 127 9.648 26.096 4.552 1.00 0.00 ATOM 992 N ASP 128 10.230 24.922 4.322 1.00 0.00 ATOM 993 CA ASP 128 9.445 23.732 4.113 1.00 0.00 ATOM 994 CB ASP 128 10.308 22.518 3.767 1.00 0.00 ATOM 995 CG ASP 128 9.418 21.341 3.362 1.00 0.00 ATOM 996 OD1 ASP 128 8.743 21.506 2.327 1.00 0.00 ATOM 997 OD2 ASP 128 9.405 20.308 4.051 1.00 0.00 ATOM 998 O ASP 128 7.519 22.911 5.315 1.00 0.00 ATOM 999 C ASP 128 8.651 23.390 5.393 1.00 0.00 ATOM 1000 N TRP 129 9.261 23.609 6.554 1.00 0.00 ATOM 1001 CA TRP 129 8.600 23.322 7.822 1.00 0.00 ATOM 1002 CB TRP 129 9.517 23.755 8.956 1.00 0.00 ATOM 1003 CG TRP 129 9.018 23.271 10.318 1.00 0.00 ATOM 1004 CD1 TRP 129 8.021 23.792 11.030 1.00 0.00 ATOM 1005 CD2 TRP 129 9.499 22.185 11.015 1.00 0.00 ATOM 1006 CE2 TRP 129 8.749 22.094 12.178 1.00 0.00 ATOM 1007 CE3 TRP 129 10.494 21.235 10.772 1.00 0.00 ATOM 1008 NE1 TRP 129 7.854 23.078 12.133 1.00 0.00 ATOM 1009 CZ2 TRP 129 8.970 21.079 13.092 1.00 0.00 ATOM 1010 CZ3 TRP 129 10.715 20.221 11.686 1.00 0.00 ATOM 1011 CH2 TRP 129 9.965 20.129 12.849 1.00 0.00 ATOM 1012 O TRP 129 6.207 23.458 8.120 1.00 0.00 ATOM 1013 C TRP 129 7.250 24.061 7.891 1.00 0.00 ATOM 1014 N VAL 130 7.302 25.367 7.639 1.00 0.00 ATOM 1015 CA VAL 130 6.105 26.229 7.664 1.00 0.00 ATOM 1016 CB VAL 130 6.530 27.711 7.696 1.00 0.00 ATOM 1017 CG1 VAL 130 5.344 28.686 7.612 1.00 0.00 ATOM 1018 CG2 VAL 130 7.260 28.013 9.007 1.00 0.00 ATOM 1019 O VAL 130 3.907 25.911 6.691 1.00 0.00 ATOM 1020 C VAL 130 5.124 25.893 6.498 1.00 0.00 ATOM 1021 N SER 131 5.664 25.571 5.327 1.00 0.00 ATOM 1022 CA SER 131 4.832 25.237 4.177 1.00 0.00 ATOM 1023 CB SER 131 5.688 24.905 2.959 1.00 0.00 ATOM 1024 OG SER 131 6.298 26.097 2.493 1.00 0.00 ATOM 1025 O SER 131 2.769 24.054 4.334 1.00 0.00 ATOM 1026 C SER 131 3.985 24.000 4.462 1.00 0.00 ATOM 1027 N HIS 132 4.650 22.962 4.968 1.00 0.00 ATOM 1028 CA HIS 132 3.919 21.768 5.426 1.00 0.00 ATOM 1029 CB HIS 132 4.822 20.551 5.578 1.00 0.00 ATOM 1030 CG HIS 132 3.959 19.302 5.793 1.00 0.00 ATOM 1031 CD2 HIS 132 3.675 18.368 4.890 1.00 0.00 ATOM 1032 ND1 HIS 132 3.353 18.951 6.931 1.00 0.00 ATOM 1033 CE1 HIS 132 2.723 17.797 6.713 1.00 0.00 ATOM 1034 NE2 HIS 132 2.935 17.426 5.463 1.00 0.00 ATOM 1035 O HIS 132 3.716 23.035 7.452 1.00 0.00 ATOM 1036 C HIS 132 3.268 22.119 6.760 1.00 0.00 ATOM 1037 N GLY 133 2.146 21.473 7.062 1.00 0.00 ATOM 1038 CA GLY 133 1.442 21.728 8.311 1.00 0.00 ATOM 1039 O GLY 133 2.324 19.945 9.630 1.00 0.00 ATOM 1040 C GLY 133 2.349 21.148 9.368 1.00 0.00 ATOM 1041 N GLY 134 3.192 21.994 9.950 1.00 0.00 ATOM 1042 CA GLY 134 4.114 21.548 10.988 1.00 0.00 ATOM 1043 O GLY 134 3.242 23.418 12.169 1.00 0.00 ATOM 1044 C GLY 134 3.966 22.424 12.201 1.00 0.00 ATOM 1045 N ASP 135 4.634 21.949 13.241 1.00 0.00 ATOM 1046 CA ASP 135 4.671 22.711 14.483 1.00 0.00 ATOM 1047 CB ASP 135 4.973 21.747 15.621 1.00 0.00 ATOM 1048 CG ASP 135 4.835 22.410 16.992 1.00 0.00 ATOM 1049 OD1 ASP 135 4.637 23.658 17.010 1.00 0.00 ATOM 1050 OD2 ASP 135 5.096 21.663 17.952 1.00 0.00 ATOM 1051 O ASP 135 6.811 23.794 14.426 1.00 0.00 ATOM 1052 C ASP 135 5.607 23.875 14.177 1.00 0.00 ATOM 1053 N LYS 136 5.060 24.945 13.609 1.00 0.00 ATOM 1054 CA LYS 136 5.861 26.117 13.276 1.00 0.00 ATOM 1055 CB LYS 136 4.981 27.343 13.013 1.00 0.00 ATOM 1056 CG LYS 136 3.556 27.097 12.500 1.00 0.00 ATOM 1057 CD LYS 136 3.561 27.122 10.978 1.00 0.00 ATOM 1058 CE LYS 136 2.122 27.278 10.485 1.00 0.00 ATOM 1059 NZ LYS 136 2.066 27.158 9.031 1.00 0.00 ATOM 1060 O LYS 136 7.856 26.586 14.501 1.00 0.00 ATOM 1061 C LYS 136 6.624 26.570 14.498 1.00 0.00 ATOM 1062 N LEU 137 5.899 26.854 15.575 1.00 0.00 ATOM 1063 CA LEU 137 6.528 27.298 16.815 1.00 0.00 ATOM 1064 CB LEU 137 6.830 28.772 16.487 1.00 0.00 ATOM 1065 CG LEU 137 7.443 29.625 17.585 1.00 0.00 ATOM 1066 CD1 LEU 137 8.599 28.938 18.304 1.00 0.00 ATOM 1067 CD2 LEU 137 7.875 30.971 17.006 1.00 0.00 ATOM 1068 O LEU 137 6.514 26.950 19.191 1.00 0.00 ATOM 1069 C LEU 137 5.820 27.055 18.160 1.00 0.00 ATOM 1070 N ASP 138 4.412 27.336 18.191 1.00 0.00 ATOM 1071 CA ASP 138 3.701 27.290 19.467 1.00 0.00 ATOM 1072 CB ASP 138 2.349 28.009 19.447 1.00 0.00 ATOM 1073 CG ASP 138 1.808 28.221 20.865 1.00 0.00 ATOM 1074 OD1 ASP 138 2.514 27.885 21.828 1.00 0.00 ATOM 1075 OD2 ASP 138 0.829 28.995 20.997 1.00 0.00 ATOM 1076 O ASP 138 2.647 25.141 19.377 1.00 0.00 ATOM 1077 C ASP 138 3.558 25.824 19.843 1.00 0.00 ATOM 1078 N LEU 139 4.497 25.293 20.680 1.00 0.00 ATOM 1079 CA LEU 139 4.443 23.904 21.114 1.00 0.00 ATOM 1080 CB LEU 139 5.731 23.615 21.898 1.00 0.00 ATOM 1081 CG LEU 139 5.859 22.145 22.311 1.00 0.00 ATOM 1082 CD1 LEU 139 5.984 21.248 21.077 1.00 0.00 ATOM 1083 CD2 LEU 139 7.035 21.863 23.236 1.00 0.00 ATOM 1084 O LEU 139 2.349 24.397 22.226 1.00 0.00 ATOM 1085 C LEU 139 3.190 23.522 21.962 1.00 0.00 TER END