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 4 Sat Jun 7 10:52:49 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 21.213 6.179 15.941 1.00 0.00 ATOM 2 CA MET 1 22.595 5.825 16.296 1.00 0.00 ATOM 3 CB MET 1 22.857 4.330 16.203 1.00 0.00 ATOM 4 CG MET 1 22.703 3.683 17.584 1.00 0.00 ATOM 5 SD MET 1 21.020 3.676 18.284 1.00 0.00 ATOM 6 CE MET 1 21.159 2.273 19.374 1.00 0.00 ATOM 7 O MET 1 23.229 7.421 14.611 1.00 0.00 ATOM 8 C MET 1 23.590 6.662 15.517 1.00 0.00 ATOM 9 N TRP 2 24.797 6.695 16.050 1.00 0.00 ATOM 10 CA TRP 2 25.842 7.551 15.510 1.00 0.00 ATOM 11 CB TRP 2 26.660 8.068 16.655 1.00 0.00 ATOM 12 CG TRP 2 26.935 7.268 17.913 1.00 0.00 ATOM 13 CD1 TRP 2 28.033 6.632 18.134 1.00 0.00 ATOM 14 CD2 TRP 2 26.312 7.331 19.112 1.00 0.00 ATOM 15 CE2 TRP 2 27.067 6.563 19.993 1.00 0.00 ATOM 16 CE3 TRP 2 25.105 7.862 19.410 1.00 0.00 ATOM 17 NE1 TRP 2 28.140 6.152 19.362 1.00 0.00 ATOM 18 CZ2 TRP 2 26.546 6.208 21.213 1.00 0.00 ATOM 19 CZ3 TRP 2 24.598 7.505 20.627 1.00 0.00 ATOM 20 CH2 TRP 2 25.278 6.667 21.498 1.00 0.00 ATOM 21 O TRP 2 27.698 6.185 14.808 1.00 0.00 ATOM 22 C TRP 2 26.690 6.827 14.501 1.00 0.00 ATOM 23 N LYS 3 26.222 6.940 13.265 1.00 0.00 ATOM 24 CA LYS 3 26.875 6.208 12.155 1.00 0.00 ATOM 25 CB LYS 3 26.276 6.528 10.800 1.00 0.00 ATOM 26 CG LYS 3 24.928 5.854 10.741 1.00 0.00 ATOM 27 CD LYS 3 24.915 4.727 9.746 1.00 0.00 ATOM 28 CE LYS 3 25.635 3.469 10.187 1.00 0.00 ATOM 29 NZ LYS 3 25.938 2.585 9.070 1.00 0.00 ATOM 30 O LYS 3 29.142 5.813 11.457 1.00 0.00 ATOM 31 C LYS 3 28.334 6.609 11.934 1.00 0.00 ATOM 32 N ALA 4 28.686 7.811 12.304 1.00 0.00 ATOM 33 CA ALA 4 30.041 8.329 12.137 1.00 0.00 ATOM 34 CB ALA 4 30.048 9.755 12.663 1.00 0.00 ATOM 35 O ALA 4 32.266 7.471 12.395 1.00 0.00 ATOM 36 C ALA 4 31.123 7.539 12.869 1.00 0.00 ATOM 37 N VAL 5 30.774 6.998 13.998 1.00 0.00 ATOM 38 CA VAL 5 31.748 6.192 14.755 1.00 0.00 ATOM 39 CB VAL 5 31.620 6.438 16.262 1.00 0.00 ATOM 40 CG1 VAL 5 31.548 7.909 16.666 1.00 0.00 ATOM 41 CG2 VAL 5 30.532 5.542 16.814 1.00 0.00 ATOM 42 O VAL 5 32.161 3.877 15.231 1.00 0.00 ATOM 43 C VAL 5 31.715 4.685 14.423 1.00 0.00 ATOM 44 N MET 6 30.800 4.329 13.516 1.00 0.00 ATOM 45 CA MET 6 30.534 2.946 13.076 1.00 0.00 ATOM 46 CB MET 6 31.814 2.324 12.488 1.00 0.00 ATOM 47 CG MET 6 32.404 3.084 11.306 1.00 0.00 ATOM 48 SD MET 6 31.291 3.020 9.860 1.00 0.00 ATOM 49 CE MET 6 31.480 1.296 9.448 1.00 0.00 ATOM 50 O MET 6 30.213 0.820 14.187 1.00 0.00 ATOM 51 C MET 6 30.022 2.037 14.207 1.00 0.00 ATOM 52 N ASN 7 29.264 2.638 15.113 1.00 0.00 ATOM 53 CA ASN 7 28.712 1.916 16.278 1.00 0.00 ATOM 54 CB ASN 7 28.449 2.879 17.431 1.00 0.00 ATOM 55 CG ASN 7 27.863 2.162 18.654 1.00 0.00 ATOM 56 ND2 ASN 7 28.676 1.350 19.271 1.00 0.00 ATOM 57 OD1 ASN 7 26.686 2.283 18.950 1.00 0.00 ATOM 58 O ASN 7 26.919 0.451 16.858 1.00 0.00 ATOM 59 C ASN 7 27.322 1.331 16.094 1.00 0.00 ATOM 60 N ALA 8 26.594 1.816 14.996 1.00 0.00 ATOM 61 CA ALA 8 25.254 1.295 14.770 1.00 0.00 ATOM 62 CB ALA 8 24.287 1.331 15.932 1.00 0.00 ATOM 63 O ALA 8 25.181 3.066 13.153 1.00 0.00 ATOM 64 C ALA 8 24.619 2.077 13.619 1.00 0.00 ATOM 65 N TRP 9 23.451 1.608 13.180 1.00 0.00 ATOM 66 CA TRP 9 22.731 2.147 12.020 1.00 0.00 ATOM 67 CB TRP 9 21.800 1.086 11.421 1.00 0.00 ATOM 68 CG TRP 9 20.795 0.485 12.416 1.00 0.00 ATOM 69 CD1 TRP 9 21.003 -0.557 13.202 1.00 0.00 ATOM 70 CD2 TRP 9 19.478 0.865 12.631 1.00 0.00 ATOM 71 CE2 TRP 9 18.957 0.016 13.590 1.00 0.00 ATOM 72 CE3 TRP 9 18.654 1.831 12.089 1.00 0.00 ATOM 73 NE1 TRP 9 19.912 -0.828 13.889 1.00 0.00 ATOM 74 CZ2 TRP 9 17.656 0.123 14.041 1.00 0.00 ATOM 75 CZ3 TRP 9 17.341 1.957 12.532 1.00 0.00 ATOM 76 CH2 TRP 9 16.846 1.122 13.525 1.00 0.00 ATOM 77 O TRP 9 21.705 3.677 13.588 1.00 0.00 ATOM 78 C TRP 9 22.059 3.451 12.426 1.00 0.00 ATOM 79 N ASN 10 21.921 4.341 11.383 1.00 0.00 ATOM 80 CA ASN 10 21.160 5.568 11.639 1.00 0.00 ATOM 81 CB ASN 10 21.135 6.349 10.327 1.00 0.00 ATOM 82 CG ASN 10 20.434 7.702 10.516 1.00 0.00 ATOM 83 ND2 ASN 10 20.428 8.464 9.464 1.00 0.00 ATOM 84 OD1 ASN 10 20.032 8.095 11.598 1.00 0.00 ATOM 85 O ASN 10 18.976 4.669 11.369 1.00 0.00 ATOM 86 C ASN 10 19.769 5.244 12.100 1.00 0.00 ATOM 87 N GLY 11 19.416 5.684 13.284 1.00 0.00 ATOM 88 CA GLY 11 18.122 5.353 13.824 1.00 0.00 ATOM 89 O GLY 11 15.819 5.254 13.220 1.00 0.00 ATOM 90 C GLY 11 16.900 5.825 13.058 1.00 0.00 ATOM 91 N THR 12 17.067 6.887 12.224 1.00 0.00 ATOM 92 CA THR 12 15.961 7.452 11.446 1.00 0.00 ATOM 93 CB THR 12 15.056 8.377 12.268 1.00 0.00 ATOM 94 CG2 THR 12 15.799 9.518 12.959 1.00 0.00 ATOM 95 OG1 THR 12 14.034 8.904 11.419 1.00 0.00 ATOM 96 O THR 12 17.228 7.334 9.414 1.00 0.00 ATOM 97 C THR 12 16.128 7.214 9.942 1.00 0.00 ATOM 98 N GLU 13 14.977 7.102 9.270 1.00 0.00 ATOM 99 CA GLU 13 14.921 6.996 7.800 1.00 0.00 ATOM 100 CB GLU 13 13.474 6.781 7.370 1.00 0.00 ATOM 101 CG GLU 13 13.378 6.294 5.912 1.00 0.00 ATOM 102 CD GLU 13 11.940 6.163 5.395 1.00 0.00 ATOM 103 OE1 GLU 13 10.985 6.317 6.186 1.00 0.00 ATOM 104 OE2 GLU 13 11.806 5.988 4.166 1.00 0.00 ATOM 105 O GLU 13 15.179 9.377 7.757 1.00 0.00 ATOM 106 C GLU 13 15.430 8.321 7.203 1.00 0.00 ATOM 107 N SER 14 16.220 8.235 6.148 1.00 0.00 ATOM 108 CA SER 14 16.781 9.439 5.506 1.00 0.00 ATOM 109 CB SER 14 18.312 9.432 5.575 1.00 0.00 ATOM 110 OG SER 14 18.842 8.358 4.786 1.00 0.00 ATOM 111 O SER 14 15.665 8.656 3.514 1.00 0.00 ATOM 112 C SER 14 16.254 9.579 4.080 1.00 0.00 ATOM 113 N GLN 15 16.411 10.758 3.510 1.00 0.00 ATOM 114 CA GLN 15 16.032 11.027 2.132 1.00 0.00 ATOM 115 CB GLN 15 14.777 11.830 2.046 1.00 0.00 ATOM 116 CG GLN 15 13.548 10.980 2.295 1.00 0.00 ATOM 117 CD GLN 15 13.486 9.783 1.367 1.00 0.00 ATOM 118 OE1 GLN 15 14.426 8.991 1.293 1.00 0.00 ATOM 119 NE2 GLN 15 12.374 9.643 0.656 1.00 0.00 ATOM 120 O GLN 15 18.197 12.054 2.006 1.00 0.00 ATOM 121 C GLN 15 17.245 11.604 1.403 1.00 0.00 ATOM 122 N SER 16 17.234 11.558 0.076 1.00 0.00 ATOM 123 CA SER 16 18.336 12.146 -0.698 1.00 0.00 ATOM 124 CB SER 16 18.180 11.814 -2.174 1.00 0.00 ATOM 125 OG SER 16 19.229 12.447 -2.911 1.00 0.00 ATOM 126 O SER 16 17.488 14.386 -0.571 1.00 0.00 ATOM 127 C SER 16 18.482 13.658 -0.572 1.00 0.00 ATOM 128 N LYS 17 19.720 14.129 -0.473 1.00 0.00 ATOM 129 CA LYS 17 19.977 15.557 -0.346 1.00 0.00 ATOM 130 CB LYS 17 20.357 16.065 1.045 1.00 0.00 ATOM 131 CG LYS 17 19.239 16.980 1.529 1.00 0.00 ATOM 132 CD LYS 17 18.844 18.091 0.547 1.00 0.00 ATOM 133 CE LYS 17 17.752 18.902 1.223 1.00 0.00 ATOM 134 NZ LYS 17 17.313 20.048 0.425 1.00 0.00 ATOM 135 O LYS 17 21.740 15.095 -1.895 1.00 0.00 ATOM 136 C LYS 17 21.133 15.947 -1.244 1.00 0.00 ATOM 137 N ASN 18 21.400 17.247 -1.334 1.00 0.00 ATOM 138 CA ASN 18 22.492 17.738 -2.166 1.00 0.00 ATOM 139 CB ASN 18 22.611 19.235 -2.106 1.00 0.00 ATOM 140 CG ASN 18 21.461 19.845 -2.884 1.00 0.00 ATOM 141 ND2 ASN 18 21.258 21.074 -2.565 1.00 0.00 ATOM 142 OD1 ASN 18 20.659 19.245 -3.583 1.00 0.00 ATOM 143 O ASN 18 24.558 16.653 -2.677 1.00 0.00 ATOM 144 C ASN 18 23.843 17.124 -1.800 1.00 0.00 ATOM 145 N VAL 19 24.212 17.229 -0.525 1.00 0.00 ATOM 146 CA VAL 19 25.500 16.676 -0.092 1.00 0.00 ATOM 147 CB VAL 19 26.024 17.409 1.141 1.00 0.00 ATOM 148 CG1 VAL 19 27.392 16.835 1.460 1.00 0.00 ATOM 149 CG2 VAL 19 26.135 18.924 0.912 1.00 0.00 ATOM 150 O VAL 19 24.741 14.782 1.157 1.00 0.00 ATOM 151 C VAL 19 25.312 15.175 0.144 1.00 0.00 ATOM 152 N SER 20 25.761 14.396 -0.834 1.00 0.00 ATOM 153 CA SER 20 25.532 12.938 -0.886 1.00 0.00 ATOM 154 CB SER 20 26.179 12.316 -2.113 1.00 0.00 ATOM 155 OG SER 20 27.572 12.549 -2.271 1.00 0.00 ATOM 156 O SER 20 25.747 10.980 0.489 1.00 0.00 ATOM 157 C SER 20 26.144 12.126 0.270 1.00 0.00 ATOM 158 N ASN 21 27.067 12.711 0.961 1.00 0.00 ATOM 159 CA ASN 21 27.666 11.978 2.072 1.00 0.00 ATOM 160 CB ASN 21 29.156 12.239 2.145 1.00 0.00 ATOM 161 CG ASN 21 29.873 11.626 0.961 1.00 0.00 ATOM 162 ND2 ASN 21 30.939 12.279 0.593 1.00 0.00 ATOM 163 OD1 ASN 21 29.461 10.646 0.372 1.00 0.00 ATOM 164 O ASN 21 27.473 11.886 4.453 1.00 0.00 ATOM 165 C ASN 21 27.017 12.347 3.413 1.00 0.00 ATOM 166 N ILE 22 26.069 13.285 3.386 1.00 0.00 ATOM 167 CA ILE 22 25.348 13.703 4.613 1.00 0.00 ATOM 168 CB ILE 22 25.077 15.228 4.596 1.00 0.00 ATOM 169 CG1 ILE 22 26.391 15.991 4.790 1.00 0.00 ATOM 170 CG2 ILE 22 24.155 15.648 5.753 1.00 0.00 ATOM 171 CD1 ILE 22 26.334 17.511 4.625 1.00 0.00 ATOM 172 O ILE 22 23.501 12.424 3.769 1.00 0.00 ATOM 173 C ILE 22 24.014 12.975 4.744 1.00 0.00 ATOM 174 N GLN 23 23.454 12.974 5.949 1.00 0.00 ATOM 175 CA GLN 23 22.166 12.307 6.194 1.00 0.00 ATOM 176 CB GLN 23 22.252 11.346 7.390 1.00 0.00 ATOM 177 CG GLN 23 23.289 10.255 7.126 1.00 0.00 ATOM 178 CD GLN 23 23.076 9.543 5.774 1.00 0.00 ATOM 179 OE1 GLN 23 21.981 9.220 5.335 1.00 0.00 ATOM 180 NE2 GLN 23 24.169 9.248 5.124 1.00 0.00 ATOM 181 O GLN 23 21.295 14.361 7.068 1.00 0.00 ATOM 182 C GLN 23 21.103 13.388 6.338 1.00 0.00 ATOM 183 N SER 24 20.040 13.283 5.547 1.00 0.00 ATOM 184 CA SER 24 18.959 14.259 5.601 1.00 0.00 ATOM 185 CB SER 24 18.758 15.059 4.317 1.00 0.00 ATOM 186 OG SER 24 18.624 14.252 3.168 1.00 0.00 ATOM 187 O SER 24 17.377 12.478 5.558 1.00 0.00 ATOM 188 C SER 24 17.628 13.605 5.966 1.00 0.00 ATOM 189 N TYR 25 16.830 14.320 6.744 1.00 0.00 ATOM 190 CA TYR 25 15.516 13.790 7.215 1.00 0.00 ATOM 191 CB TYR 25 15.435 13.767 8.739 1.00 0.00 ATOM 192 CG TYR 25 16.476 12.880 9.391 1.00 0.00 ATOM 193 CD1 TYR 25 16.500 11.525 9.197 1.00 0.00 ATOM 194 CD2 TYR 25 17.394 13.439 10.228 1.00 0.00 ATOM 195 CE1 TYR 25 17.474 10.731 9.790 1.00 0.00 ATOM 196 CE2 TYR 25 18.359 12.647 10.842 1.00 0.00 ATOM 197 CZ TYR 25 18.419 11.294 10.615 1.00 0.00 ATOM 198 OH TYR 25 19.476 10.598 11.120 1.00 0.00 ATOM 199 O TYR 25 14.410 15.878 6.852 1.00 0.00 ATOM 200 C TYR 25 14.359 14.653 6.744 1.00 0.00 ATOM 201 N SER 26 13.249 14.049 6.332 1.00 0.00 ATOM 202 CA SER 26 12.090 14.810 5.890 1.00 0.00 ATOM 203 CB SER 26 11.015 13.929 5.266 1.00 0.00 ATOM 204 OG SER 26 10.395 13.081 6.230 1.00 0.00 ATOM 205 O SER 26 11.744 15.458 8.238 1.00 0.00 ATOM 206 C SER 26 11.447 15.599 7.053 1.00 0.00 ATOM 207 N PHE 27 10.477 16.413 6.643 1.00 0.00 ATOM 208 CA PHE 27 9.526 17.147 7.495 1.00 0.00 ATOM 209 CB PHE 27 8.533 17.824 6.535 1.00 0.00 ATOM 210 CG PHE 27 9.131 18.430 5.237 1.00 0.00 ATOM 211 CD1 PHE 27 9.608 17.627 4.211 1.00 0.00 ATOM 212 CD2 PHE 27 9.327 19.789 5.097 1.00 0.00 ATOM 213 CE1 PHE 27 10.274 18.139 3.101 1.00 0.00 ATOM 214 CE2 PHE 27 10.052 20.305 4.039 1.00 0.00 ATOM 215 CZ PHE 27 10.523 19.507 3.018 1.00 0.00 ATOM 216 O PHE 27 8.590 16.355 9.559 1.00 0.00 ATOM 217 C PHE 27 8.766 16.132 8.367 1.00 0.00 ATOM 218 N GLU 28 8.350 14.984 7.818 1.00 0.00 ATOM 219 CA GLU 28 7.619 13.997 8.621 1.00 0.00 ATOM 220 CB GLU 28 7.089 12.903 7.708 1.00 0.00 ATOM 221 CG GLU 28 6.011 13.388 6.730 1.00 0.00 ATOM 222 CD GLU 28 5.522 12.274 5.788 1.00 0.00 ATOM 223 OE1 GLU 28 6.005 11.131 5.899 1.00 0.00 ATOM 224 OE2 GLU 28 4.541 12.550 5.059 1.00 0.00 ATOM 225 O GLU 28 8.015 13.187 10.889 1.00 0.00 ATOM 226 C GLU 28 8.493 13.373 9.744 1.00 0.00 ATOM 227 N ASP 29 9.752 13.056 9.410 1.00 0.00 ATOM 228 CA ASP 29 10.690 12.519 10.363 1.00 0.00 ATOM 229 CB ASP 29 11.984 12.073 9.698 1.00 0.00 ATOM 230 CG ASP 29 11.778 10.853 8.802 1.00 0.00 ATOM 231 OD1 ASP 29 10.739 10.176 8.936 1.00 0.00 ATOM 232 OD2 ASP 29 12.714 10.617 8.018 1.00 0.00 ATOM 233 O ASP 29 11.109 13.168 12.634 1.00 0.00 ATOM 234 C ASP 29 10.968 13.530 11.450 1.00 0.00 ATOM 235 N MET 30 11.010 14.843 11.128 1.00 0.00 ATOM 236 CA MET 30 11.233 15.840 12.149 1.00 0.00 ATOM 237 CB MET 30 11.364 17.198 11.467 1.00 0.00 ATOM 238 CG MET 30 11.865 18.228 12.479 1.00 0.00 ATOM 239 SD MET 30 13.570 17.880 12.995 1.00 0.00 ATOM 240 CE MET 30 13.117 17.145 14.545 1.00 0.00 ATOM 241 O MET 30 10.244 16.097 14.345 1.00 0.00 ATOM 242 C MET 30 10.065 15.919 13.135 1.00 0.00 ATOM 243 N LYS 31 8.861 15.716 12.611 1.00 0.00 ATOM 244 CA LYS 31 7.651 15.681 13.450 1.00 0.00 ATOM 245 CB LYS 31 6.399 15.511 12.580 1.00 0.00 ATOM 246 CG LYS 31 5.141 15.622 13.445 1.00 0.00 ATOM 247 CD LYS 31 3.888 15.388 12.605 1.00 0.00 ATOM 248 CE LYS 31 2.635 15.478 13.477 1.00 0.00 ATOM 249 NZ LYS 31 1.437 15.316 12.663 1.00 0.00 ATOM 250 O LYS 31 7.428 14.710 15.634 1.00 0.00 ATOM 251 C LYS 31 7.723 14.517 14.449 1.00 0.00 ATOM 252 N ARG 32 8.194 13.370 13.986 1.00 0.00 ATOM 253 CA ARG 32 8.391 12.191 14.844 1.00 0.00 ATOM 254 CB ARG 32 8.765 10.975 14.007 1.00 0.00 ATOM 255 CG ARG 32 7.571 10.291 13.383 1.00 0.00 ATOM 256 CD ARG 32 7.970 8.965 12.745 1.00 0.00 ATOM 257 NE ARG 32 8.162 9.161 11.296 1.00 0.00 ATOM 258 CZ ARG 32 7.169 9.361 10.417 1.00 0.00 ATOM 259 NH1 ARG 32 5.887 9.349 10.745 1.00 0.00 ATOM 260 NH2 ARG 32 7.442 9.583 9.161 1.00 0.00 ATOM 261 O ARG 32 9.232 12.078 17.086 1.00 0.00 ATOM 262 C ARG 32 9.411 12.478 15.937 1.00 0.00 ATOM 263 N ILE 33 10.500 13.198 15.593 1.00 0.00 ATOM 264 CA ILE 33 11.528 13.547 16.565 1.00 0.00 ATOM 265 CB ILE 33 12.741 14.161 15.859 1.00 0.00 ATOM 266 CG1 ILE 33 13.422 13.090 15.014 1.00 0.00 ATOM 267 CG2 ILE 33 13.707 14.795 16.873 1.00 0.00 ATOM 268 CD1 ILE 33 14.383 13.607 13.964 1.00 0.00 ATOM 269 O ILE 33 11.115 14.221 18.828 1.00 0.00 ATOM 270 C ILE 33 10.927 14.455 17.635 1.00 0.00 ATOM 271 N VAL 34 10.139 15.458 17.221 1.00 0.00 ATOM 272 CA VAL 34 9.471 16.340 18.170 1.00 0.00 ATOM 273 CB VAL 34 8.710 17.471 17.464 1.00 0.00 ATOM 274 CG1 VAL 34 7.757 18.238 18.400 1.00 0.00 ATOM 275 CG2 VAL 34 9.709 18.465 16.855 1.00 0.00 ATOM 276 O VAL 34 8.316 15.825 20.210 1.00 0.00 ATOM 277 C VAL 34 8.465 15.570 19.013 1.00 0.00 ATOM 278 N GLY 35 7.819 14.528 18.465 1.00 0.00 ATOM 279 CA GLY 35 6.852 13.704 19.164 1.00 0.00 ATOM 280 O GLY 35 6.640 11.699 20.403 1.00 0.00 ATOM 281 C GLY 35 7.428 12.516 19.920 1.00 0.00 ATOM 282 N LYS 36 8.754 12.453 20.072 1.00 0.00 ATOM 283 CA LYS 36 9.413 11.362 20.818 1.00 0.00 ATOM 284 CB LYS 36 8.887 11.224 22.247 1.00 0.00 ATOM 285 CG LYS 36 8.948 12.523 23.040 1.00 0.00 ATOM 286 CD LYS 36 8.359 12.243 24.418 1.00 0.00 ATOM 287 CE LYS 36 8.353 13.539 25.209 1.00 0.00 ATOM 288 NZ LYS 36 7.816 13.298 26.536 1.00 0.00 ATOM 289 O LYS 36 9.526 8.968 20.877 1.00 0.00 ATOM 290 C LYS 36 9.382 9.975 20.177 1.00 0.00 ATOM 291 N HIS 37 9.281 9.906 18.849 1.00 0.00 ATOM 292 CA HIS 37 9.234 8.606 18.155 1.00 0.00 ATOM 293 CB HIS 37 9.080 8.756 16.644 1.00 0.00 ATOM 294 CG HIS 37 8.786 7.428 15.938 1.00 0.00 ATOM 295 CD2 HIS 37 9.561 6.776 15.079 1.00 0.00 ATOM 296 ND1 HIS 37 7.659 6.737 16.077 1.00 0.00 ATOM 297 CE1 HIS 37 7.748 5.639 15.326 1.00 0.00 ATOM 298 NE2 HIS 37 8.914 5.665 14.693 1.00 0.00 ATOM 299 O HIS 37 10.474 6.687 18.912 1.00 0.00 ATOM 300 C HIS 37 10.519 7.847 18.466 1.00 0.00 ATOM 301 N ASP 38 11.667 8.502 18.340 1.00 0.00 ATOM 302 CA ASP 38 12.956 7.847 18.647 1.00 0.00 ATOM 303 CB ASP 38 13.717 7.572 17.341 1.00 0.00 ATOM 304 CG ASP 38 15.092 6.896 17.543 1.00 0.00 ATOM 305 OD1 ASP 38 15.561 6.827 18.702 1.00 0.00 ATOM 306 OD2 ASP 38 15.642 6.401 16.539 1.00 0.00 ATOM 307 O ASP 38 13.946 9.973 19.172 1.00 0.00 ATOM 308 C ASP 38 13.639 8.852 19.576 1.00 0.00 ATOM 309 N PRO 39 13.913 8.466 20.833 1.00 0.00 ATOM 310 CA PRO 39 14.554 9.307 21.853 1.00 0.00 ATOM 311 CB PRO 39 14.615 8.383 23.070 1.00 0.00 ATOM 312 CG PRO 39 14.765 7.025 22.449 1.00 0.00 ATOM 313 CD PRO 39 13.753 7.085 21.327 1.00 0.00 ATOM 314 O PRO 39 16.263 10.942 22.185 1.00 0.00 ATOM 315 C PRO 39 15.902 9.947 21.563 1.00 0.00 ATOM 316 N ASN 40 16.649 9.283 20.626 1.00 0.00 ATOM 317 CA ASN 40 17.969 9.814 20.323 1.00 0.00 ATOM 318 CB ASN 40 18.707 8.927 19.280 1.00 0.00 ATOM 319 CG ASN 40 18.562 7.387 19.395 1.00 0.00 ATOM 320 ND2 ASN 40 17.887 6.888 20.421 1.00 0.00 ATOM 321 OD1 ASN 40 19.068 6.667 18.529 1.00 0.00 ATOM 322 O ASN 40 17.982 11.452 18.881 1.00 0.00 ATOM 323 C ASN 40 17.949 11.523 20.073 1.00 0.00 ATOM 324 N VAL 41 18.020 12.874 20.608 1.00 0.00 ATOM 325 CA VAL 41 18.059 14.435 20.067 1.00 0.00 ATOM 326 CB VAL 41 16.908 14.693 19.046 1.00 0.00 ATOM 327 CG1 VAL 41 17.223 15.563 17.825 1.00 0.00 ATOM 328 CG2 VAL 41 16.262 13.460 18.466 1.00 0.00 ATOM 329 O VAL 41 17.308 16.695 21.015 1.00 0.00 ATOM 330 C VAL 41 18.188 16.109 20.380 1.00 0.00 ATOM 331 N VAL 42 19.055 17.095 19.750 1.00 0.00 ATOM 332 CA VAL 42 19.068 18.642 19.731 1.00 0.00 ATOM 333 CB VAL 42 20.422 19.290 20.193 1.00 0.00 ATOM 334 CG1 VAL 42 20.560 20.833 20.179 1.00 0.00 ATOM 335 CG2 VAL 42 20.788 18.888 21.606 1.00 0.00 ATOM 336 O VAL 42 19.473 18.888 17.348 1.00 0.00 ATOM 337 C VAL 42 18.796 19.266 18.309 1.00 0.00 ATOM 338 N LEU 43 17.985 20.333 18.195 1.00 0.00 ATOM 339 CA LEU 43 17.736 21.053 16.925 1.00 0.00 ATOM 340 CB LEU 43 16.253 21.377 16.690 1.00 0.00 ATOM 341 CG LEU 43 15.335 20.164 16.730 1.00 0.00 ATOM 342 CD1 LEU 43 13.879 20.565 16.528 1.00 0.00 ATOM 343 CD2 LEU 43 15.707 19.189 15.638 1.00 0.00 ATOM 344 O LEU 43 18.300 23.195 17.866 1.00 0.00 ATOM 345 C LEU 43 18.506 22.375 16.973 1.00 0.00 ATOM 346 N VAL 44 19.514 22.468 16.119 1.00 0.00 ATOM 347 CA VAL 44 20.413 23.626 16.092 1.00 0.00 ATOM 348 CB VAL 44 21.837 23.059 15.895 1.00 0.00 ATOM 349 CG1 VAL 44 22.838 24.155 15.630 1.00 0.00 ATOM 350 CG2 VAL 44 22.343 22.270 17.104 1.00 0.00 ATOM 351 O VAL 44 20.195 24.257 13.779 1.00 0.00 ATOM 352 C VAL 44 19.972 24.559 14.952 1.00 0.00 ATOM 353 N ASP 45 19.236 25.609 15.322 1.00 0.00 ATOM 354 CA ASP 45 18.818 26.644 14.365 1.00 0.00 ATOM 355 CB ASP 45 17.536 27.357 14.826 1.00 0.00 ATOM 356 CG ASP 45 16.971 28.332 13.781 1.00 0.00 ATOM 357 OD1 ASP 45 17.626 28.594 12.743 1.00 0.00 ATOM 358 OD2 ASP 45 15.859 28.838 14.028 1.00 0.00 ATOM 359 O ASP 45 20.373 28.321 15.173 1.00 0.00 ATOM 360 C ASP 45 19.960 27.667 14.209 1.00 0.00 ATOM 361 N VAL 46 20.586 27.628 13.042 1.00 0.00 ATOM 362 CA VAL 46 21.785 28.455 12.741 1.00 0.00 ATOM 363 CB VAL 46 22.833 27.700 11.892 1.00 0.00 ATOM 364 CG1 VAL 46 23.245 26.353 12.490 1.00 0.00 ATOM 365 CG2 VAL 46 22.410 27.461 10.450 1.00 0.00 ATOM 366 O VAL 46 22.379 30.485 11.594 1.00 0.00 ATOM 367 C VAL 46 21.476 29.771 12.039 1.00 0.00 ATOM 368 N ARG 47 20.163 30.164 11.968 1.00 0.00 ATOM 369 CA ARG 47 19.755 31.443 11.385 1.00 0.00 ATOM 370 CB ARG 47 18.235 31.502 11.202 1.00 0.00 ATOM 371 CG ARG 47 17.776 30.538 10.133 1.00 0.00 ATOM 372 CD ARG 47 16.270 30.604 9.940 1.00 0.00 ATOM 373 NE ARG 47 15.535 30.145 11.123 1.00 0.00 ATOM 374 CZ ARG 47 14.210 30.177 11.238 1.00 0.00 ATOM 375 NH1 ARG 47 13.626 29.762 12.351 1.00 0.00 ATOM 376 NH2 ARG 47 13.431 30.616 10.248 1.00 0.00 ATOM 377 O ARG 47 20.392 32.320 13.538 1.00 0.00 ATOM 378 C ARG 47 20.120 32.556 12.361 1.00 0.00 ATOM 379 N GLU 48 20.106 33.783 11.858 1.00 0.00 ATOM 380 CA GLU 48 20.347 34.969 12.689 1.00 0.00 ATOM 381 CB GLU 48 20.468 36.225 11.836 1.00 0.00 ATOM 382 CG GLU 48 21.672 36.207 10.888 1.00 0.00 ATOM 383 CD GLU 48 21.746 37.446 9.999 1.00 0.00 ATOM 384 OE1 GLU 48 20.797 38.267 10.018 1.00 0.00 ATOM 385 OE2 GLU 48 22.740 37.518 9.250 1.00 0.00 ATOM 386 O GLU 48 18.142 34.492 13.565 1.00 0.00 ATOM 387 C GLU 48 19.203 35.103 13.724 1.00 0.00 ATOM 388 N PRO 49 19.408 35.839 14.832 1.00 0.00 ATOM 389 CA PRO 49 18.430 35.946 15.921 1.00 0.00 ATOM 390 CB PRO 49 19.053 36.872 16.963 1.00 0.00 ATOM 391 CG PRO 49 20.553 36.648 16.797 1.00 0.00 ATOM 392 CD PRO 49 20.721 36.285 15.318 1.00 0.00 ATOM 393 O PRO 49 16.082 35.953 16.107 1.00 0.00 ATOM 394 C PRO 49 17.044 36.473 15.550 1.00 0.00 ATOM 395 N SER 50 16.922 37.477 14.681 1.00 0.00 ATOM 396 CA SER 50 15.594 38.002 14.337 1.00 0.00 ATOM 397 CB SER 50 15.676 39.258 13.469 1.00 0.00 ATOM 398 OG SER 50 16.313 38.939 12.229 1.00 0.00 ATOM 399 O SER 50 13.533 36.819 13.982 1.00 0.00 ATOM 400 C SER 50 14.729 36.910 13.710 1.00 0.00 ATOM 401 N GLU 51 15.329 36.033 12.878 1.00 0.00 ATOM 402 CA GLU 51 14.586 34.955 12.237 1.00 0.00 ATOM 403 CB GLU 51 15.432 34.183 11.230 1.00 0.00 ATOM 404 CG GLU 51 15.836 35.087 10.077 1.00 0.00 ATOM 405 CD GLU 51 14.653 35.817 9.431 1.00 0.00 ATOM 406 OE1 GLU 51 13.618 35.165 9.222 1.00 0.00 ATOM 407 OE2 GLU 51 14.784 37.042 9.230 1.00 0.00 ATOM 408 O GLU 51 12.942 33.511 13.234 1.00 0.00 ATOM 409 C GLU 51 14.091 33.957 13.281 1.00 0.00 ATOM 410 N TYR 52 14.957 33.600 14.220 1.00 0.00 ATOM 411 CA TYR 52 14.598 32.669 15.280 1.00 0.00 ATOM 412 CB TYR 52 15.825 32.400 16.148 1.00 0.00 ATOM 413 CG TYR 52 15.502 31.474 17.317 1.00 0.00 ATOM 414 CD1 TYR 52 15.441 30.103 17.105 1.00 0.00 ATOM 415 CD2 TYR 52 15.266 31.961 18.600 1.00 0.00 ATOM 416 CE1 TYR 52 15.174 29.254 18.157 1.00 0.00 ATOM 417 CE2 TYR 52 14.982 31.107 19.646 1.00 0.00 ATOM 418 CZ TYR 52 14.925 29.738 19.421 1.00 0.00 ATOM 419 OH TYR 52 14.637 28.869 20.431 1.00 0.00 ATOM 420 O TYR 52 12.510 32.501 16.440 1.00 0.00 ATOM 421 C TYR 52 13.452 33.214 16.140 1.00 0.00 ATOM 422 N SER 53 13.561 34.497 16.479 1.00 0.00 ATOM 423 CA SER 53 12.541 35.166 17.311 1.00 0.00 ATOM 424 CB SER 53 13.020 36.545 17.752 1.00 0.00 ATOM 425 OG SER 53 13.136 37.449 16.653 1.00 0.00 ATOM 426 O SER 53 10.155 35.276 17.253 1.00 0.00 ATOM 427 C SER 53 11.187 35.287 16.604 1.00 0.00 ATOM 428 N ILE 54 11.209 35.420 15.273 1.00 0.00 ATOM 429 CA ILE 54 9.964 35.461 14.487 1.00 0.00 ATOM 430 CB ILE 54 10.264 35.630 12.985 1.00 0.00 ATOM 431 CG1 ILE 54 10.814 37.044 12.741 1.00 0.00 ATOM 432 CG2 ILE 54 9.014 35.360 12.138 1.00 0.00 ATOM 433 CD1 ILE 54 11.454 37.266 11.369 1.00 0.00 ATOM 434 O ILE 54 8.025 34.205 15.087 1.00 0.00 ATOM 435 C ILE 54 9.223 34.174 14.824 1.00 0.00 ATOM 436 N VAL 55 9.903 33.073 14.573 1.00 0.00 ATOM 437 CA VAL 55 9.343 31.767 14.831 1.00 0.00 ATOM 438 CB VAL 55 8.133 31.649 13.915 1.00 0.00 ATOM 439 CG1 VAL 55 8.228 31.747 12.419 1.00 0.00 ATOM 440 CG2 VAL 55 7.449 30.408 14.266 1.00 0.00 ATOM 441 O VAL 55 11.439 30.947 13.986 1.00 0.00 ATOM 442 C VAL 55 10.479 30.751 14.734 1.00 0.00 ATOM 443 N HIS 56 10.298 29.663 15.460 1.00 0.00 ATOM 444 CA HIS 56 11.292 28.596 15.540 1.00 0.00 ATOM 445 CB HIS 56 12.436 28.889 16.509 1.00 0.00 ATOM 446 CG HIS 56 12.029 29.001 17.988 1.00 0.00 ATOM 447 CD2 HIS 56 11.997 28.052 18.924 1.00 0.00 ATOM 448 ND1 HIS 56 11.598 30.122 18.550 1.00 0.00 ATOM 449 CE1 HIS 56 11.236 29.857 19.795 1.00 0.00 ATOM 450 NE2 HIS 56 11.521 28.576 20.042 1.00 0.00 ATOM 451 O HIS 56 9.573 27.303 16.590 1.00 0.00 ATOM 452 C HIS 56 10.650 27.295 15.986 1.00 0.00 ATOM 453 N ILE 57 11.288 26.188 15.661 1.00 0.00 ATOM 454 CA ILE 57 10.767 24.889 16.056 1.00 0.00 ATOM 455 CB ILE 57 11.458 23.718 15.331 1.00 0.00 ATOM 456 CG1 ILE 57 11.158 23.878 13.842 1.00 0.00 ATOM 457 CG2 ILE 57 10.910 22.357 15.794 1.00 0.00 ATOM 458 CD1 ILE 57 12.027 22.991 12.964 1.00 0.00 ATOM 459 O ILE 57 11.984 25.184 18.098 1.00 0.00 ATOM 460 C ILE 57 10.920 24.828 17.585 1.00 0.00 ATOM 461 N PRO 58 9.919 24.326 18.299 1.00 0.00 ATOM 462 CA PRO 58 9.972 24.182 19.760 1.00 0.00 ATOM 463 CB PRO 58 8.696 23.427 20.126 1.00 0.00 ATOM 464 CG PRO 58 7.719 23.794 19.021 1.00 0.00 ATOM 465 CD PRO 58 8.593 23.952 17.800 1.00 0.00 ATOM 466 O PRO 58 11.633 22.488 19.353 1.00 0.00 ATOM 467 C PRO 58 11.202 23.365 20.105 1.00 0.00 ATOM 468 N ALA 59 11.803 23.786 21.213 1.00 0.00 ATOM 469 CA ALA 59 13.049 23.220 21.756 1.00 0.00 ATOM 470 CB ALA 59 13.016 21.682 21.869 1.00 0.00 ATOM 471 O ALA 59 15.406 23.251 21.507 1.00 0.00 ATOM 472 C ALA 59 14.337 23.564 21.000 1.00 0.00 ATOM 473 N SER 60 14.267 24.236 19.849 1.00 0.00 ATOM 474 CA SER 60 15.489 24.499 19.057 1.00 0.00 ATOM 475 CB SER 60 15.222 24.921 17.614 1.00 0.00 ATOM 476 OG SER 60 14.472 26.129 17.632 1.00 0.00 ATOM 477 O SER 60 15.868 26.311 20.619 1.00 0.00 ATOM 478 C SER 60 16.351 25.563 19.768 1.00 0.00 ATOM 479 N ILE 61 17.647 25.474 19.531 1.00 0.00 ATOM 480 CA ILE 61 18.620 26.441 20.091 1.00 0.00 ATOM 481 CB ILE 61 19.774 25.732 20.816 1.00 0.00 ATOM 482 CG1 ILE 61 19.186 24.942 22.000 1.00 0.00 ATOM 483 CG2 ILE 61 20.816 26.746 21.334 1.00 0.00 ATOM 484 CD1 ILE 61 20.108 23.861 22.549 1.00 0.00 ATOM 485 O ILE 61 19.593 26.691 17.909 1.00 0.00 ATOM 486 C ILE 61 19.173 27.251 18.924 1.00 0.00 ATOM 487 N ASN 62 19.247 28.551 19.152 1.00 0.00 ATOM 488 CA ASN 62 19.768 29.450 18.116 1.00 0.00 ATOM 489 CB ASN 62 19.079 30.795 18.277 1.00 0.00 ATOM 490 CG ASN 62 19.501 31.705 17.131 1.00 0.00 ATOM 491 ND2 ASN 62 19.177 32.950 17.253 1.00 0.00 ATOM 492 OD1 ASN 62 20.097 31.327 16.148 1.00 0.00 ATOM 493 O ASN 62 21.807 30.236 19.142 1.00 0.00 ATOM 494 C ASN 62 21.290 29.604 18.216 1.00 0.00 ATOM 495 N VAL 63 22.012 29.071 17.234 1.00 0.00 ATOM 496 CA VAL 63 23.476 29.234 17.217 1.00 0.00 ATOM 497 CB VAL 63 24.178 27.991 17.800 1.00 0.00 ATOM 498 CG1 VAL 63 23.815 27.558 19.222 1.00 0.00 ATOM 499 CG2 VAL 63 23.762 26.778 17.012 1.00 0.00 ATOM 500 O VAL 63 24.389 28.739 15.023 1.00 0.00 ATOM 501 C VAL 63 23.920 29.594 15.775 1.00 0.00 ATOM 502 N PRO 64 23.740 30.854 15.365 1.00 0.00 ATOM 503 CA PRO 64 24.145 31.290 14.022 1.00 0.00 ATOM 504 CB PRO 64 23.424 32.647 13.886 1.00 0.00 ATOM 505 CG PRO 64 23.402 33.175 15.286 1.00 0.00 ATOM 506 CD PRO 64 23.113 31.947 16.135 1.00 0.00 ATOM 507 O PRO 64 26.123 31.309 12.707 1.00 0.00 ATOM 508 C PRO 64 25.664 31.482 13.816 1.00 0.00 ATOM 509 N TYR 65 26.357 31.992 14.768 1.00 0.00 ATOM 510 CA TYR 65 27.815 32.187 14.688 1.00 0.00 ATOM 511 CB TYR 65 28.259 33.239 15.710 1.00 0.00 ATOM 512 CG TYR 65 27.688 34.601 15.389 1.00 0.00 ATOM 513 CD1 TYR 65 26.529 35.062 15.975 1.00 0.00 ATOM 514 CD2 TYR 65 28.350 35.371 14.455 1.00 0.00 ATOM 515 CE1 TYR 65 26.003 36.290 15.641 1.00 0.00 ATOM 516 CE2 TYR 65 27.822 36.612 14.139 1.00 0.00 ATOM 517 CZ TYR 65 26.654 37.070 14.721 1.00 0.00 ATOM 518 OH TYR 65 26.163 38.292 14.443 1.00 0.00 ATOM 519 O TYR 65 28.060 30.149 15.934 1.00 0.00 ATOM 520 C TYR 65 28.508 30.883 15.054 1.00 0.00 ATOM 521 N ARG 66 29.610 30.612 14.361 1.00 0.00 ATOM 522 CA ARG 66 30.406 29.411 14.570 1.00 0.00 ATOM 523 CB ARG 66 31.607 29.416 13.578 1.00 0.00 ATOM 524 CG ARG 66 32.518 28.197 13.666 1.00 0.00 ATOM 525 CD ARG 66 33.356 28.046 12.401 1.00 0.00 ATOM 526 NE ARG 66 33.886 29.327 11.946 1.00 0.00 ATOM 527 CZ ARG 66 33.650 29.850 10.747 1.00 0.00 ATOM 528 NH1 ARG 66 32.890 29.202 9.871 1.00 0.00 ATOM 529 NH2 ARG 66 34.163 31.030 10.424 1.00 0.00 ATOM 530 O ARG 66 30.910 28.218 16.621 1.00 0.00 ATOM 531 C ARG 66 30.953 29.281 16.015 1.00 0.00 ATOM 532 N SER 67 31.527 30.368 16.515 1.00 0.00 ATOM 533 CA SER 67 32.083 30.431 17.880 1.00 0.00 ATOM 534 CB SER 67 32.637 31.822 18.168 1.00 0.00 ATOM 535 OG SER 67 31.587 32.789 18.146 1.00 0.00 ATOM 536 O SER 67 31.327 29.361 19.914 1.00 0.00 ATOM 537 C SER 67 31.026 30.068 18.943 1.00 0.00 ATOM 538 N HIS 68 29.782 30.510 18.729 1.00 0.00 ATOM 539 CA HIS 68 28.680 30.209 19.656 1.00 0.00 ATOM 540 CB HIS 68 27.471 31.058 19.271 1.00 0.00 ATOM 541 CG HIS 68 26.316 31.062 20.267 1.00 0.00 ATOM 542 CD2 HIS 68 25.375 30.167 20.525 1.00 0.00 ATOM 543 ND1 HIS 68 26.092 32.107 21.043 1.00 0.00 ATOM 544 CE1 HIS 68 25.063 31.826 21.825 1.00 0.00 ATOM 545 NE2 HIS 68 24.571 30.646 21.480 1.00 0.00 ATOM 546 O HIS 68 28.394 28.122 20.625 1.00 0.00 ATOM 547 C HIS 68 28.370 28.710 19.563 1.00 0.00 ATOM 548 N PRO 69 28.064 28.091 18.410 1.00 0.00 ATOM 549 CA PRO 69 27.851 26.663 18.204 1.00 0.00 ATOM 550 CB PRO 69 27.750 26.431 16.694 1.00 0.00 ATOM 551 CG PRO 69 27.038 27.670 16.206 1.00 0.00 ATOM 552 CD PRO 69 27.531 28.692 17.198 1.00 0.00 ATOM 553 O PRO 69 28.720 24.791 19.429 1.00 0.00 ATOM 554 C PRO 69 28.973 25.817 18.801 1.00 0.00 ATOM 555 N ASP 70 30.212 26.275 18.581 1.00 0.00 ATOM 556 CA ASP 70 31.372 25.550 19.086 1.00 0.00 ATOM 557 CB ASP 70 32.661 25.885 18.346 1.00 0.00 ATOM 558 CG ASP 70 33.754 24.967 18.873 1.00 0.00 ATOM 559 OD1 ASP 70 34.463 25.465 19.748 1.00 0.00 ATOM 560 OD2 ASP 70 33.724 23.778 18.527 1.00 0.00 ATOM 561 O ASP 70 31.543 24.704 21.322 1.00 0.00 ATOM 562 C ASP 70 31.454 25.699 20.602 1.00 0.00 ATOM 563 N ALA 71 31.455 26.947 21.165 1.00 0.00 ATOM 564 CA ALA 71 31.456 27.204 22.589 1.00 0.00 ATOM 565 CB ALA 71 31.378 28.695 22.907 1.00 0.00 ATOM 566 O ALA 71 30.369 25.958 24.322 1.00 0.00 ATOM 567 C ALA 71 30.235 26.566 23.262 1.00 0.00 ATOM 568 N PHE 72 29.135 26.531 22.513 1.00 0.00 ATOM 569 CA PHE 72 27.872 25.930 22.957 1.00 0.00 ATOM 570 CB PHE 72 26.705 26.365 22.068 1.00 0.00 ATOM 571 CG PHE 72 25.349 26.052 22.676 1.00 0.00 ATOM 572 CD1 PHE 72 25.003 26.475 23.946 1.00 0.00 ATOM 573 CD2 PHE 72 24.451 25.342 21.913 1.00 0.00 ATOM 574 CE1 PHE 72 23.745 26.191 24.457 1.00 0.00 ATOM 575 CE2 PHE 72 23.205 25.033 22.422 1.00 0.00 ATOM 576 CZ PHE 72 22.854 25.462 23.700 1.00 0.00 ATOM 577 O PHE 72 27.825 23.810 24.013 1.00 0.00 ATOM 578 C PHE 72 27.968 24.414 22.969 1.00 0.00 ATOM 579 N ALA 73 28.594 23.880 21.917 1.00 0.00 ATOM 580 CA ALA 73 28.863 22.441 21.808 1.00 0.00 ATOM 581 CB ALA 73 29.574 22.179 20.484 1.00 0.00 ATOM 582 O ALA 73 29.614 20.811 23.428 1.00 0.00 ATOM 583 C ALA 73 29.737 21.947 22.979 1.00 0.00 ATOM 584 N LEU 74 30.707 22.782 23.327 1.00 0.00 ATOM 585 CA LEU 74 31.680 22.495 24.385 1.00 0.00 ATOM 586 CB LEU 74 32.952 23.288 24.190 1.00 0.00 ATOM 587 CG LEU 74 33.817 22.825 23.023 1.00 0.00 ATOM 588 CD1 LEU 74 34.834 23.921 22.710 1.00 0.00 ATOM 589 CD2 LEU 74 34.535 21.508 23.346 1.00 0.00 ATOM 590 O LEU 74 31.953 22.597 26.714 1.00 0.00 ATOM 591 C LEU 74 31.172 22.785 25.801 1.00 0.00 ATOM 592 N ASP 75 30.014 23.417 25.970 1.00 0.00 ATOM 593 CA ASP 75 29.435 23.615 27.304 1.00 0.00 ATOM 594 CB ASP 75 28.189 24.521 27.179 1.00 0.00 ATOM 595 CG ASP 75 27.585 24.976 28.518 1.00 0.00 ATOM 596 OD1 ASP 75 28.026 24.481 29.577 1.00 0.00 ATOM 597 OD2 ASP 75 26.639 25.817 28.492 1.00 0.00 ATOM 598 O ASP 75 28.007 21.713 27.403 1.00 0.00 ATOM 599 C ASP 75 29.087 22.178 27.734 1.00 0.00 ATOM 600 N PRO 76 30.139 21.443 28.431 1.00 0.00 ATOM 601 CA PRO 76 30.612 20.042 28.259 1.00 0.00 ATOM 602 CB PRO 76 30.243 19.412 29.597 1.00 0.00 ATOM 603 CG PRO 76 30.446 20.553 30.557 1.00 0.00 ATOM 604 CD PRO 76 29.798 21.711 29.827 1.00 0.00 ATOM 605 O PRO 76 28.833 19.463 26.756 1.00 0.00 ATOM 606 C PRO 76 29.968 19.214 27.144 1.00 0.00 ATOM 607 N LEU 77 30.572 18.099 26.731 1.00 0.00 ATOM 608 CA LEU 77 29.980 17.296 25.635 1.00 0.00 ATOM 609 CB LEU 77 30.868 16.137 25.194 1.00 0.00 ATOM 610 CG LEU 77 32.088 16.588 24.415 1.00 0.00 ATOM 611 CD1 LEU 77 33.037 15.428 24.130 1.00 0.00 ATOM 612 CD2 LEU 77 31.631 17.273 23.130 1.00 0.00 ATOM 613 O LEU 77 27.617 16.852 25.400 1.00 0.00 ATOM 614 C LEU 77 28.636 16.722 26.072 1.00 0.00 ATOM 615 N GLU 78 28.675 16.165 27.278 1.00 0.00 ATOM 616 CA GLU 78 27.453 15.588 27.862 1.00 0.00 ATOM 617 CB GLU 78 27.786 14.772 29.097 1.00 0.00 ATOM 618 CG GLU 78 28.670 13.573 28.782 1.00 0.00 ATOM 619 CD GLU 78 29.019 12.776 30.042 1.00 0.00 ATOM 620 OE1 GLU 78 28.577 13.155 31.149 1.00 0.00 ATOM 621 OE2 GLU 78 29.671 11.753 29.793 1.00 0.00 ATOM 622 O GLU 78 25.233 16.434 27.837 1.00 0.00 ATOM 623 C GLU 78 26.396 16.655 28.158 1.00 0.00 ATOM 624 N PHE 79 26.808 17.772 28.772 1.00 0.00 ATOM 625 CA PHE 79 25.875 18.868 29.105 1.00 0.00 ATOM 626 CB PHE 79 26.583 19.997 29.846 1.00 0.00 ATOM 627 CG PHE 79 25.617 21.139 30.189 1.00 0.00 ATOM 628 CD1 PHE 79 24.770 21.069 31.294 1.00 0.00 ATOM 629 CD2 PHE 79 25.575 22.270 29.396 1.00 0.00 ATOM 630 CE1 PHE 79 23.907 22.077 31.620 1.00 0.00 ATOM 631 CE2 PHE 79 24.715 23.302 29.721 1.00 0.00 ATOM 632 CZ PHE 79 23.893 23.196 30.828 1.00 0.00 ATOM 633 O PHE 79 23.999 19.620 27.813 1.00 0.00 ATOM 634 C PHE 79 25.206 19.386 27.839 1.00 0.00 ATOM 635 N GLU 80 25.998 19.568 26.763 1.00 0.00 ATOM 636 CA GLU 80 25.482 20.073 25.499 1.00 0.00 ATOM 637 CB GLU 80 26.636 20.215 24.500 1.00 0.00 ATOM 638 CG GLU 80 26.172 20.675 23.104 1.00 0.00 ATOM 639 CD GLU 80 25.480 22.049 23.087 1.00 0.00 ATOM 640 OE1 GLU 80 25.596 22.770 24.093 1.00 0.00 ATOM 641 OE2 GLU 80 24.784 22.308 22.087 1.00 0.00 ATOM 642 O GLU 80 23.457 19.359 24.426 1.00 0.00 ATOM 643 C GLU 80 24.555 19.034 24.881 1.00 0.00 ATOM 644 N LYS 81 24.934 17.840 24.899 1.00 0.00 ATOM 645 CA LYS 81 24.130 16.777 24.319 1.00 0.00 ATOM 646 CB LYS 81 24.466 17.013 22.836 1.00 0.00 ATOM 647 CG LYS 81 25.626 16.272 22.197 1.00 0.00 ATOM 648 CD LYS 81 25.379 16.239 20.700 1.00 0.00 ATOM 649 CE LYS 81 26.278 15.166 20.105 1.00 0.00 ATOM 650 NZ LYS 81 26.443 15.198 18.665 1.00 0.00 ATOM 651 O LYS 81 25.475 15.135 25.439 1.00 0.00 ATOM 652 C LYS 81 24.357 15.451 25.034 1.00 0.00 ATOM 653 N GLN 82 23.256 14.682 25.208 1.00 0.00 ATOM 654 CA GLN 82 23.343 13.395 25.888 1.00 0.00 ATOM 655 CB GLN 82 22.070 13.196 26.703 1.00 0.00 ATOM 656 CG GLN 82 22.261 13.709 28.125 1.00 0.00 ATOM 657 CD GLN 82 23.559 13.217 28.778 1.00 0.00 ATOM 658 OE1 GLN 82 24.132 12.169 28.520 1.00 0.00 ATOM 659 NE2 GLN 82 24.119 14.075 29.569 1.00 0.00 ATOM 660 O GLN 82 22.658 11.677 24.370 1.00 0.00 ATOM 661 C GLN 82 23.592 12.280 24.884 1.00 0.00 ATOM 662 N ILE 83 24.869 12.067 24.583 1.00 0.00 ATOM 663 CA ILE 83 25.311 11.099 23.564 1.00 0.00 ATOM 664 CB ILE 83 26.736 11.479 23.116 1.00 0.00 ATOM 665 CG1 ILE 83 26.721 12.873 22.477 1.00 0.00 ATOM 666 CG2 ILE 83 27.212 10.449 22.106 1.00 0.00 ATOM 667 CD1 ILE 83 28.109 13.432 22.144 1.00 0.00 ATOM 668 O ILE 83 24.762 8.884 23.412 1.00 0.00 ATOM 669 C ILE 83 25.352 9.691 24.076 1.00 0.00 ATOM 670 N GLY 84 25.752 9.380 25.168 1.00 0.00 ATOM 671 CA GLY 84 25.518 8.257 26.087 1.00 0.00 ATOM 672 O GLY 84 23.451 7.217 25.720 1.00 0.00 ATOM 673 C GLY 84 23.989 8.161 26.269 1.00 0.00 ATOM 674 N ILE 85 23.470 9.491 26.234 1.00 0.00 ATOM 675 CA ILE 85 22.273 9.988 26.954 1.00 0.00 ATOM 676 CB ILE 85 20.908 9.461 26.468 1.00 0.00 ATOM 677 CG1 ILE 85 20.706 7.993 26.751 1.00 0.00 ATOM 678 CG2 ILE 85 20.386 9.916 25.134 1.00 0.00 ATOM 679 CD1 ILE 85 19.333 7.737 27.368 1.00 0.00 ATOM 680 O ILE 85 23.539 9.622 28.923 1.00 0.00 ATOM 681 C ILE 85 22.412 9.822 28.477 1.00 0.00 ATOM 682 N PRO 86 21.335 9.849 29.280 1.00 0.00 ATOM 683 CA PRO 86 21.390 9.271 30.631 1.00 0.00 ATOM 684 CB PRO 86 20.092 9.709 31.294 1.00 0.00 ATOM 685 CG PRO 86 19.152 9.852 30.109 1.00 0.00 ATOM 686 CD PRO 86 20.057 10.594 29.138 1.00 0.00 ATOM 687 O PRO 86 22.098 7.246 31.707 1.00 0.00 ATOM 688 C PRO 86 21.700 7.777 30.666 1.00 0.00 ATOM 689 N LYS 87 21.432 7.060 29.525 1.00 0.00 ATOM 690 CA LYS 87 21.674 5.625 29.457 1.00 0.00 ATOM 691 CB LYS 87 20.348 4.884 29.796 1.00 0.00 ATOM 692 CG LYS 87 19.656 5.271 31.081 1.00 0.00 ATOM 693 CD LYS 87 20.495 4.960 32.302 1.00 0.00 ATOM 694 CE LYS 87 19.669 5.086 33.576 1.00 0.00 ATOM 695 NZ LYS 87 18.612 4.048 33.681 1.00 0.00 ATOM 696 O LYS 87 22.191 5.591 27.104 1.00 0.00 ATOM 697 C LYS 87 22.532 5.280 28.236 1.00 0.00 ATOM 698 N PRO 88 23.520 4.421 28.428 1.00 0.00 ATOM 699 CA PRO 88 24.433 4.019 27.342 1.00 0.00 ATOM 700 CB PRO 88 25.476 3.217 28.085 1.00 0.00 ATOM 701 CG PRO 88 24.693 2.565 29.230 1.00 0.00 ATOM 702 CD PRO 88 23.806 3.707 29.685 1.00 0.00 ATOM 703 O PRO 88 24.320 3.241 25.098 1.00 0.00 ATOM 704 C PRO 88 23.754 3.275 26.189 1.00 0.00 ATOM 705 N ASP 89 22.561 2.722 26.432 1.00 0.00 ATOM 706 CA ASP 89 21.783 2.021 25.392 1.00 0.00 ATOM 707 CB ASP 89 20.725 1.055 25.948 1.00 0.00 ATOM 708 CG ASP 89 21.238 -0.003 26.918 1.00 0.00 ATOM 709 OD1 ASP 89 22.445 -0.301 26.857 1.00 0.00 ATOM 710 OD2 ASP 89 20.406 -0.625 27.612 1.00 0.00 ATOM 711 O ASP 89 20.637 2.594 23.356 1.00 0.00 ATOM 712 C ASP 89 21.141 3.009 24.405 1.00 0.00 ATOM 713 N SER 90 21.016 4.270 24.794 1.00 0.00 ATOM 714 CA SER 90 20.320 5.225 23.919 1.00 0.00 ATOM 715 CB SER 90 19.209 6.013 24.615 1.00 0.00 ATOM 716 OG SER 90 18.408 5.329 25.588 1.00 0.00 ATOM 717 O SER 90 22.480 6.047 23.345 1.00 0.00 ATOM 718 C SER 90 21.272 6.127 23.178 1.00 0.00 ATOM 719 N ALA 91 20.645 7.065 22.334 1.00 0.00 ATOM 720 CA ALA 91 21.493 7.941 21.564 1.00 0.00 ATOM 721 CB ALA 91 21.569 7.471 20.100 1.00 0.00 ATOM 722 O ALA 91 20.079 9.770 22.286 1.00 0.00 ATOM 723 C ALA 91 21.084 9.394 21.701 1.00 0.00 ATOM 724 N LYS 92 22.056 10.200 21.355 1.00 0.00 ATOM 725 CA LYS 92 21.861 11.624 21.124 1.00 0.00 ATOM 726 CB LYS 92 23.068 12.375 21.650 1.00 0.00 ATOM 727 CG LYS 92 22.870 13.866 21.637 1.00 0.00 ATOM 728 CD LYS 92 21.697 14.238 22.520 1.00 0.00 ATOM 729 CE LYS 92 21.592 15.732 22.342 1.00 0.00 ATOM 730 NZ LYS 92 20.768 16.361 23.340 1.00 0.00 ATOM 731 O LYS 92 22.949 11.389 19.025 1.00 0.00 ATOM 732 C LYS 92 21.967 11.826 19.634 1.00 0.00 ATOM 733 N GLU 93 21.115 12.717 19.151 1.00 0.00 ATOM 734 CA GLU 93 21.191 13.086 17.736 1.00 0.00 ATOM 735 CB GLU 93 20.058 12.407 16.970 1.00 0.00 ATOM 736 CG GLU 93 20.069 10.877 17.108 1.00 0.00 ATOM 737 CD GLU 93 18.932 10.194 16.354 1.00 0.00 ATOM 738 OE1 GLU 93 18.101 10.931 15.792 1.00 0.00 ATOM 739 OE2 GLU 93 19.067 8.959 16.209 1.00 0.00 ATOM 740 O GLU 93 20.702 15.288 18.537 1.00 0.00 ATOM 741 C GLU 93 21.120 14.610 17.610 1.00 0.00 ATOM 742 N LEU 94 21.830 15.123 16.627 1.00 0.00 ATOM 743 CA LEU 94 21.757 16.559 16.311 1.00 0.00 ATOM 744 CB LEU 94 23.137 17.203 16.254 1.00 0.00 ATOM 745 CG LEU 94 23.903 17.163 17.570 1.00 0.00 ATOM 746 CD1 LEU 94 25.295 17.677 17.275 1.00 0.00 ATOM 747 CD2 LEU 94 23.232 18.000 18.651 1.00 0.00 ATOM 748 O LEU 94 21.410 15.986 14.013 1.00 0.00 ATOM 749 C LEU 94 21.105 16.726 14.939 1.00 0.00 ATOM 750 N ILE 95 20.235 17.733 14.850 1.00 0.00 ATOM 751 CA ILE 95 19.630 18.135 13.569 1.00 0.00 ATOM 752 CB ILE 95 18.111 17.917 13.601 1.00 0.00 ATOM 753 CG1 ILE 95 17.862 16.433 13.850 1.00 0.00 ATOM 754 CG2 ILE 95 17.426 18.372 12.296 1.00 0.00 ATOM 755 CD1 ILE 95 16.442 16.208 14.327 1.00 0.00 ATOM 756 O ILE 95 19.653 20.456 14.171 1.00 0.00 ATOM 757 C ILE 95 19.976 19.603 13.343 1.00 0.00 ATOM 758 N PHE 96 20.561 19.905 12.189 1.00 0.00 ATOM 759 CA PHE 96 20.931 21.274 11.868 1.00 0.00 ATOM 760 CB PHE 96 22.373 21.331 11.367 1.00 0.00 ATOM 761 CG PHE 96 23.361 20.900 12.451 1.00 0.00 ATOM 762 CD1 PHE 96 23.627 19.553 12.662 1.00 0.00 ATOM 763 CD2 PHE 96 23.991 21.853 13.245 1.00 0.00 ATOM 764 CE1 PHE 96 24.498 19.165 13.662 1.00 0.00 ATOM 765 CE2 PHE 96 24.871 21.467 14.248 1.00 0.00 ATOM 766 CZ PHE 96 25.127 20.117 14.456 1.00 0.00 ATOM 767 O PHE 96 19.582 21.382 9.879 1.00 0.00 ATOM 768 C PHE 96 19.978 21.969 10.887 1.00 0.00 ATOM 769 N TYR 97 19.617 23.212 11.185 1.00 0.00 ATOM 770 CA TYR 97 18.717 23.967 10.321 1.00 0.00 ATOM 771 CB TYR 97 17.439 24.283 11.071 1.00 0.00 ATOM 772 CG TYR 97 16.479 23.146 11.196 1.00 0.00 ATOM 773 CD1 TYR 97 16.569 22.362 12.324 1.00 0.00 ATOM 774 CD2 TYR 97 15.373 23.132 10.376 1.00 0.00 ATOM 775 CE1 TYR 97 15.539 21.496 12.644 1.00 0.00 ATOM 776 CE2 TYR 97 14.314 22.356 10.767 1.00 0.00 ATOM 777 CZ TYR 97 14.415 21.481 11.841 1.00 0.00 ATOM 778 OH TYR 97 13.477 20.537 12.069 1.00 0.00 ATOM 779 O TYR 97 19.988 25.888 10.907 1.00 0.00 ATOM 780 C TYR 97 19.250 25.367 10.074 1.00 0.00 ATOM 781 N CYS 98 18.556 26.026 9.153 1.00 0.00 ATOM 782 CA CYS 98 18.614 27.474 8.953 1.00 0.00 ATOM 783 CB CYS 98 19.930 27.930 8.323 1.00 0.00 ATOM 784 SG CYS 98 20.218 27.223 6.680 1.00 0.00 ATOM 785 O CYS 98 16.444 27.100 7.974 1.00 0.00 ATOM 786 C CYS 98 17.396 27.884 8.103 1.00 0.00 ATOM 787 N ALA 99 17.492 29.010 7.396 1.00 0.00 ATOM 788 CA ALA 99 16.367 29.501 6.580 1.00 0.00 ATOM 789 CB ALA 99 16.609 30.899 6.021 1.00 0.00 ATOM 790 O ALA 99 14.967 28.210 5.177 1.00 0.00 ATOM 791 C ALA 99 16.116 28.552 5.418 1.00 0.00 ATOM 792 N SER 100 17.208 28.175 4.752 1.00 0.00 ATOM 793 CA SER 100 17.125 27.322 3.567 1.00 0.00 ATOM 794 CB SER 100 17.420 28.195 2.347 1.00 0.00 ATOM 795 OG SER 100 18.826 28.341 2.129 1.00 0.00 ATOM 796 O SER 100 17.913 25.197 2.755 1.00 0.00 ATOM 797 C SER 100 17.971 26.041 3.638 1.00 0.00 ATOM 798 N GLY 101 18.646 25.822 4.768 1.00 0.00 ATOM 799 CA GLY 101 19.536 24.654 4.987 1.00 0.00 ATOM 800 O GLY 101 21.924 24.217 4.975 1.00 0.00 ATOM 801 C GLY 101 21.003 24.934 4.594 1.00 0.00 ATOM 802 N LYS 102 21.252 26.099 3.993 1.00 0.00 ATOM 803 CA LYS 102 22.561 26.388 3.374 1.00 0.00 ATOM 804 CB LYS 102 22.442 27.631 2.504 1.00 0.00 ATOM 805 CG LYS 102 23.791 27.992 1.879 1.00 0.00 ATOM 806 CD LYS 102 23.682 29.224 0.994 1.00 0.00 ATOM 807 CE LYS 102 23.324 30.489 1.771 1.00 0.00 ATOM 808 NZ LYS 102 24.425 30.919 2.640 1.00 0.00 ATOM 809 O LYS 102 24.559 25.608 4.469 1.00 0.00 ATOM 810 C LYS 102 23.662 26.446 4.442 1.00 0.00 ATOM 811 N ARG 103 23.555 27.439 5.325 1.00 0.00 ATOM 812 CA ARG 103 24.504 27.591 6.443 1.00 0.00 ATOM 813 CB ARG 103 24.208 28.865 7.228 1.00 0.00 ATOM 814 CG ARG 103 25.376 29.093 8.176 1.00 0.00 ATOM 815 CD ARG 103 25.072 30.245 9.115 1.00 0.00 ATOM 816 NE ARG 103 26.194 30.387 10.052 1.00 0.00 ATOM 817 CZ ARG 103 27.431 30.822 9.763 1.00 0.00 ATOM 818 NH1 ARG 103 27.756 31.164 8.536 1.00 0.00 ATOM 819 NH2 ARG 103 28.304 31.083 10.723 1.00 0.00 ATOM 820 O ARG 103 25.494 26.149 8.094 1.00 0.00 ATOM 821 C ARG 103 24.501 26.416 7.425 1.00 0.00 ATOM 822 N GLY 104 23.341 25.764 7.524 1.00 0.00 ATOM 823 CA GLY 104 23.150 24.542 8.345 1.00 0.00 ATOM 824 O GLY 104 24.738 22.801 8.856 1.00 0.00 ATOM 825 C GLY 104 24.192 23.472 7.976 1.00 0.00 ATOM 826 N GLY 105 24.605 23.507 6.706 1.00 0.00 ATOM 827 CA GLY 105 25.643 22.634 6.148 1.00 0.00 ATOM 828 O GLY 105 27.728 21.876 7.104 1.00 0.00 ATOM 829 C GLY 105 27.024 22.839 6.805 1.00 0.00 ATOM 830 N GLU 106 27.389 24.102 7.043 1.00 0.00 ATOM 831 CA GLU 106 28.668 24.409 7.714 1.00 0.00 ATOM 832 CB GLU 106 28.903 25.900 7.790 1.00 0.00 ATOM 833 CG GLU 106 29.186 26.511 6.424 1.00 0.00 ATOM 834 CD GLU 106 29.266 28.035 6.538 1.00 0.00 ATOM 835 OE1 GLU 106 29.096 28.595 7.632 1.00 0.00 ATOM 836 OE2 GLU 106 29.499 28.653 5.500 1.00 0.00 ATOM 837 O GLU 106 29.734 23.291 9.548 1.00 0.00 ATOM 838 C GLU 106 28.724 23.860 9.134 1.00 0.00 ATOM 839 N ALA 107 27.663 24.102 9.921 1.00 0.00 ATOM 840 CA ALA 107 27.600 23.628 11.299 1.00 0.00 ATOM 841 CB ALA 107 26.359 24.144 12.029 1.00 0.00 ATOM 842 O ALA 107 28.343 21.543 12.179 1.00 0.00 ATOM 843 C ALA 107 27.625 22.108 11.367 1.00 0.00 ATOM 844 N GLN 108 26.965 21.460 10.410 1.00 0.00 ATOM 845 CA GLN 108 26.935 19.984 10.325 1.00 0.00 ATOM 846 CB GLN 108 25.920 19.590 9.248 1.00 0.00 ATOM 847 CG GLN 108 25.464 18.138 9.387 1.00 0.00 ATOM 848 CD GLN 108 26.348 17.124 8.640 1.00 0.00 ATOM 849 OE1 GLN 108 27.282 17.431 7.905 1.00 0.00 ATOM 850 NE2 GLN 108 26.035 15.863 8.838 1.00 0.00 ATOM 851 O GLN 108 28.799 18.541 10.755 1.00 0.00 ATOM 852 C GLN 108 28.347 19.426 10.041 1.00 0.00 ATOM 853 N LYS 109 29.084 20.108 9.168 1.00 0.00 ATOM 854 CA LYS 109 30.479 19.752 8.854 1.00 0.00 ATOM 855 CB LYS 109 30.964 20.584 7.682 1.00 0.00 ATOM 856 CG LYS 109 30.412 20.099 6.356 1.00 0.00 ATOM 857 CD LYS 109 31.036 20.973 5.280 1.00 0.00 ATOM 858 CE LYS 109 30.529 20.571 3.911 1.00 0.00 ATOM 859 NZ LYS 109 31.105 21.422 2.858 1.00 0.00 ATOM 860 O LYS 109 32.168 19.074 10.426 1.00 0.00 ATOM 861 C LYS 109 31.405 19.962 10.058 1.00 0.00 ATOM 862 N VAL 110 31.284 21.128 10.690 1.00 0.00 ATOM 863 CA VAL 110 32.059 21.460 11.899 1.00 0.00 ATOM 864 CB VAL 110 31.855 22.940 12.287 1.00 0.00 ATOM 865 CG1 VAL 110 32.557 23.334 13.584 1.00 0.00 ATOM 866 CG2 VAL 110 32.364 23.874 11.184 1.00 0.00 ATOM 867 O VAL 110 32.524 20.052 13.820 1.00 0.00 ATOM 868 C VAL 110 31.657 20.545 13.084 1.00 0.00 ATOM 869 N ALA 111 30.361 20.307 13.258 1.00 0.00 ATOM 870 CA ALA 111 29.892 19.395 14.308 1.00 0.00 ATOM 871 CB ALA 111 28.368 19.248 14.286 1.00 0.00 ATOM 872 O ALA 111 31.011 17.405 15.037 1.00 0.00 ATOM 873 C ALA 111 30.476 17.994 14.102 1.00 0.00 ATOM 874 N SER 112 30.507 17.576 12.832 1.00 0.00 ATOM 875 CA SER 112 31.076 16.266 12.479 1.00 0.00 ATOM 876 CB SER 112 30.845 15.908 11.017 1.00 0.00 ATOM 877 OG SER 112 29.453 15.661 10.804 1.00 0.00 ATOM 878 O SER 112 33.115 15.302 13.323 1.00 0.00 ATOM 879 C SER 112 32.568 16.241 12.756 1.00 0.00 ATOM 880 N SER 113 33.293 17.283 12.308 1.00 0.00 ATOM 881 CA SER 113 34.733 17.378 12.553 1.00 0.00 ATOM 882 CB SER 113 35.332 18.615 11.890 1.00 0.00 ATOM 883 OG SER 113 34.842 19.827 12.457 1.00 0.00 ATOM 884 O SER 113 36.147 16.892 14.422 1.00 0.00 ATOM 885 C SER 113 35.093 17.387 14.036 1.00 0.00 ATOM 886 N HIS 114 34.255 18.030 14.892 1.00 0.00 ATOM 887 CA HIS 114 34.537 18.109 16.315 1.00 0.00 ATOM 888 CB HIS 114 33.892 19.354 16.919 1.00 0.00 ATOM 889 CG HIS 114 34.618 20.636 16.540 1.00 0.00 ATOM 890 CD2 HIS 114 35.481 21.339 17.271 1.00 0.00 ATOM 891 ND1 HIS 114 34.558 21.178 15.339 1.00 0.00 ATOM 892 CE1 HIS 114 35.394 22.204 15.307 1.00 0.00 ATOM 893 NE2 HIS 114 35.988 22.287 16.484 1.00 0.00 ATOM 894 O HIS 114 34.168 16.800 18.315 1.00 0.00 ATOM 895 C HIS 114 34.076 16.863 17.091 1.00 0.00 ATOM 896 N GLY 115 33.648 15.846 16.347 1.00 0.00 ATOM 897 CA GLY 115 33.304 14.536 16.909 1.00 0.00 ATOM 898 O GLY 115 31.592 13.393 18.076 1.00 0.00 ATOM 899 C GLY 115 31.882 14.401 17.441 1.00 0.00 ATOM 900 N TYR 116 30.990 15.327 17.095 1.00 0.00 ATOM 901 CA TYR 116 29.594 15.218 17.512 1.00 0.00 ATOM 902 CB TYR 116 28.926 16.603 17.559 1.00 0.00 ATOM 903 CG TYR 116 29.600 17.510 18.606 1.00 0.00 ATOM 904 CD1 TYR 116 30.755 18.185 18.242 1.00 0.00 ATOM 905 CD2 TYR 116 29.090 17.718 19.888 1.00 0.00 ATOM 906 CE1 TYR 116 31.390 19.019 19.146 1.00 0.00 ATOM 907 CE2 TYR 116 29.734 18.571 20.784 1.00 0.00 ATOM 908 CZ TYR 116 30.905 19.207 20.417 1.00 0.00 ATOM 909 OH TYR 116 31.635 19.894 21.337 1.00 0.00 ATOM 910 O TYR 116 29.025 14.144 15.395 1.00 0.00 ATOM 911 C TYR 116 28.904 14.185 16.614 1.00 0.00 ATOM 912 N SER 117 28.131 13.343 17.281 1.00 0.00 ATOM 913 CA SER 117 27.635 12.148 16.637 1.00 0.00 ATOM 914 CB SER 117 27.386 10.939 17.611 1.00 0.00 ATOM 915 OG SER 117 28.580 10.506 18.187 1.00 0.00 ATOM 916 O SER 117 25.334 12.819 16.556 1.00 0.00 ATOM 917 C SER 117 26.252 12.218 16.005 1.00 0.00 ATOM 918 N ASN 118 26.210 11.423 14.881 1.00 0.00 ATOM 919 CA ASN 118 24.934 11.220 14.196 1.00 0.00 ATOM 920 CB ASN 118 23.989 10.207 14.822 1.00 0.00 ATOM 921 CG ASN 118 22.726 10.114 13.968 1.00 0.00 ATOM 922 ND2 ASN 118 21.658 9.827 14.643 1.00 0.00 ATOM 923 OD1 ASN 118 22.685 10.414 12.791 1.00 0.00 ATOM 924 O ASN 118 23.500 13.012 14.878 1.00 0.00 ATOM 925 C ASN 118 24.226 12.549 13.989 1.00 0.00 ATOM 926 N THR 119 24.556 13.175 12.873 1.00 0.00 ATOM 927 CA THR 119 24.029 14.506 12.557 1.00 0.00 ATOM 928 CB THR 119 25.155 15.555 12.576 1.00 0.00 ATOM 929 CG2 THR 119 25.904 15.579 13.911 1.00 0.00 ATOM 930 OG1 THR 119 26.075 15.250 11.543 1.00 0.00 ATOM 931 O THR 119 23.782 13.917 10.225 1.00 0.00 ATOM 932 C THR 119 23.316 14.498 11.206 1.00 0.00 ATOM 933 N SER 120 22.219 15.229 11.161 1.00 0.00 ATOM 934 CA SER 120 21.467 15.396 9.914 1.00 0.00 ATOM 935 CB SER 120 20.043 14.955 10.050 1.00 0.00 ATOM 936 OG SER 120 19.296 15.686 11.042 1.00 0.00 ATOM 937 O SER 120 21.298 17.719 10.402 1.00 0.00 ATOM 938 C SER 120 21.304 16.845 9.534 1.00 0.00 ATOM 939 N LEU 121 20.794 16.980 8.322 1.00 0.00 ATOM 940 CA LEU 121 20.273 18.281 7.953 1.00 0.00 ATOM 941 CB LEU 121 21.279 18.995 7.034 1.00 0.00 ATOM 942 CG LEU 121 21.586 18.729 5.554 1.00 0.00 ATOM 943 CD1 LEU 121 23.087 18.790 5.318 1.00 0.00 ATOM 944 CD2 LEU 121 20.950 17.523 4.902 1.00 0.00 ATOM 945 O LEU 121 18.367 17.017 7.267 1.00 0.00 ATOM 946 C LEU 121 18.786 18.091 7.706 1.00 0.00 ATOM 947 N TYR 122 17.982 19.077 8.010 1.00 0.00 ATOM 948 CA TYR 122 16.559 18.940 7.739 1.00 0.00 ATOM 949 CB TYR 122 15.767 19.785 8.737 1.00 0.00 ATOM 950 CG TYR 122 14.275 19.870 8.471 1.00 0.00 ATOM 951 CD1 TYR 122 13.450 18.757 8.631 1.00 0.00 ATOM 952 CD2 TYR 122 13.685 21.081 8.096 1.00 0.00 ATOM 953 CE1 TYR 122 12.067 18.848 8.432 1.00 0.00 ATOM 954 CE2 TYR 122 12.306 21.184 7.892 1.00 0.00 ATOM 955 CZ TYR 122 11.503 20.065 8.063 1.00 0.00 ATOM 956 OH TYR 122 10.141 20.173 7.885 1.00 0.00 ATOM 957 O TYR 122 16.342 20.780 6.201 1.00 0.00 ATOM 958 C TYR 122 16.197 19.570 6.391 1.00 0.00 ATOM 959 N PRO 123 15.914 18.674 5.428 1.00 0.00 ATOM 960 CA PRO 123 15.600 18.955 4.021 1.00 0.00 ATOM 961 CB PRO 123 15.048 17.663 3.432 1.00 0.00 ATOM 962 CG PRO 123 15.716 16.564 4.226 1.00 0.00 ATOM 963 CD PRO 123 15.980 17.218 5.571 1.00 0.00 ATOM 964 O PRO 123 13.481 19.950 4.506 1.00 0.00 ATOM 965 C PRO 123 14.538 20.036 3.907 1.00 0.00 ATOM 966 N GLY 124 14.901 21.020 3.107 1.00 0.00 ATOM 967 CA GLY 124 14.006 22.135 2.826 1.00 0.00 ATOM 968 O GLY 124 13.252 24.193 3.636 1.00 0.00 ATOM 969 C GLY 124 13.877 23.192 3.938 1.00 0.00 ATOM 970 N SER 125 14.499 22.965 5.119 1.00 0.00 ATOM 971 CA SER 125 14.696 23.941 6.216 1.00 0.00 ATOM 972 CB SER 125 15.533 25.143 5.734 1.00 0.00 ATOM 973 OG SER 125 14.784 25.865 4.756 1.00 0.00 ATOM 974 O SER 125 12.338 23.796 6.679 1.00 0.00 ATOM 975 C SER 125 13.373 24.429 6.830 1.00 0.00 ATOM 976 N MET 126 13.431 25.557 7.534 1.00 0.00 ATOM 977 CA MET 126 12.253 26.145 8.207 1.00 0.00 ATOM 978 CB MET 126 12.667 27.349 9.058 1.00 0.00 ATOM 979 CG MET 126 11.500 27.864 9.900 1.00 0.00 ATOM 980 SD MET 126 10.883 26.617 11.083 1.00 0.00 ATOM 981 CE MET 126 12.126 26.810 12.329 1.00 0.00 ATOM 982 O MET 126 9.960 26.572 7.726 1.00 0.00 ATOM 983 C MET 126 11.111 26.575 7.274 1.00 0.00 ATOM 984 N ASN 127 11.449 27.274 6.200 1.00 0.00 ATOM 985 CA ASN 127 10.443 27.788 5.255 1.00 0.00 ATOM 986 CB ASN 127 11.139 28.381 4.040 1.00 0.00 ATOM 987 CG ASN 127 11.831 29.707 4.379 1.00 0.00 ATOM 988 ND2 ASN 127 12.773 30.049 3.550 1.00 0.00 ATOM 989 OD1 ASN 127 11.591 30.415 5.356 1.00 0.00 ATOM 990 O ASN 127 8.250 26.833 5.024 1.00 0.00 ATOM 991 C ASN 127 9.464 26.671 4.898 1.00 0.00 ATOM 992 N ASP 128 9.970 25.535 4.501 1.00 0.00 ATOM 993 CA ASP 128 9.131 24.412 4.112 1.00 0.00 ATOM 994 CB ASP 128 9.933 23.481 3.214 1.00 0.00 ATOM 995 CG ASP 128 10.321 24.019 1.826 1.00 0.00 ATOM 996 OD1 ASP 128 9.661 24.987 1.396 1.00 0.00 ATOM 997 OD2 ASP 128 11.239 23.421 1.208 1.00 0.00 ATOM 998 O ASP 128 7.355 23.158 5.093 1.00 0.00 ATOM 999 C ASP 128 8.436 23.728 5.277 1.00 0.00 ATOM 1000 N TRP 129 9.097 23.698 6.486 1.00 0.00 ATOM 1001 CA TRP 129 8.564 23.040 7.671 1.00 0.00 ATOM 1002 CB TRP 129 9.595 23.127 8.804 1.00 0.00 ATOM 1003 CG TRP 129 9.029 22.734 10.164 1.00 0.00 ATOM 1004 CD1 TRP 129 8.868 23.617 11.156 1.00 0.00 ATOM 1005 CD2 TRP 129 8.421 21.542 10.558 1.00 0.00 ATOM 1006 CE2 TRP 129 7.934 21.809 11.816 1.00 0.00 ATOM 1007 CE3 TRP 129 8.217 20.269 10.024 1.00 0.00 ATOM 1008 NE1 TRP 129 8.205 23.057 12.161 1.00 0.00 ATOM 1009 CZ2 TRP 129 7.320 20.815 12.515 1.00 0.00 ATOM 1010 CZ3 TRP 129 7.562 19.273 10.739 1.00 0.00 ATOM 1011 CH2 TRP 129 7.102 19.542 12.014 1.00 0.00 ATOM 1012 O TRP 129 6.340 22.924 8.578 1.00 0.00 ATOM 1013 C TRP 129 7.259 23.650 8.190 1.00 0.00 ATOM 1014 N VAL 130 7.242 24.980 8.268 1.00 0.00 ATOM 1015 CA VAL 130 6.085 25.721 8.827 1.00 0.00 ATOM 1016 CB VAL 130 6.276 27.235 8.761 1.00 0.00 ATOM 1017 CG1 VAL 130 5.047 28.056 9.165 1.00 0.00 ATOM 1018 CG2 VAL 130 7.342 27.523 9.776 1.00 0.00 ATOM 1019 O VAL 130 3.742 25.221 8.724 1.00 0.00 ATOM 1020 C VAL 130 4.776 25.449 8.095 1.00 0.00 ATOM 1021 N SER 131 4.821 25.472 6.767 1.00 0.00 ATOM 1022 CA SER 131 3.636 25.224 5.975 1.00 0.00 ATOM 1023 CB SER 131 3.852 25.491 4.491 1.00 0.00 ATOM 1024 OG SER 131 4.750 24.547 3.933 1.00 0.00 ATOM 1025 O SER 131 1.896 23.563 5.877 1.00 0.00 ATOM 1026 C SER 131 3.079 23.801 6.126 1.00 0.00 ATOM 1027 N HIS 132 3.933 22.866 6.531 1.00 0.00 ATOM 1028 CA HIS 132 3.507 21.482 6.711 1.00 0.00 ATOM 1029 CB HIS 132 4.586 20.488 6.489 1.00 0.00 ATOM 1030 CG HIS 132 4.916 20.439 5.038 1.00 0.00 ATOM 1031 CD2 HIS 132 5.771 21.160 4.276 1.00 0.00 ATOM 1032 ND1 HIS 132 4.174 19.667 4.169 1.00 0.00 ATOM 1033 CE1 HIS 132 4.603 19.871 2.938 1.00 0.00 ATOM 1034 NE2 HIS 132 5.574 20.768 2.973 1.00 0.00 ATOM 1035 O HIS 132 2.058 20.498 8.355 1.00 0.00 ATOM 1036 C HIS 132 3.037 21.210 8.155 1.00 0.00 ATOM 1037 N GLY 133 3.786 21.698 9.131 1.00 0.00 ATOM 1038 CA GLY 133 3.506 21.391 10.540 1.00 0.00 ATOM 1039 O GLY 133 4.332 22.677 12.346 1.00 0.00 ATOM 1040 C GLY 133 3.514 22.632 11.441 1.00 0.00 ATOM 1041 N GLY 134 2.525 23.502 11.263 1.00 0.00 ATOM 1042 CA GLY 134 2.479 24.771 12.028 1.00 0.00 ATOM 1043 O GLY 134 2.953 25.210 14.329 1.00 0.00 ATOM 1044 C GLY 134 2.359 24.501 13.516 1.00 0.00 ATOM 1045 N ASP 135 1.604 23.473 13.928 1.00 0.00 ATOM 1046 CA ASP 135 1.417 23.119 15.332 1.00 0.00 ATOM 1047 CB ASP 135 0.307 22.070 15.464 1.00 0.00 ATOM 1048 CG ASP 135 0.613 20.657 14.958 1.00 0.00 ATOM 1049 OD1 ASP 135 1.675 20.432 14.329 1.00 0.00 ATOM 1050 OD2 ASP 135 -0.207 19.771 15.243 1.00 0.00 ATOM 1051 O ASP 135 2.672 22.247 17.216 1.00 0.00 ATOM 1052 C ASP 135 2.680 22.583 16.024 1.00 0.00 ATOM 1053 N LYS 136 3.702 22.311 15.233 1.00 0.00 ATOM 1054 CA LYS 136 4.942 21.872 15.871 1.00 0.00 ATOM 1055 CB LYS 136 5.547 20.676 15.151 1.00 0.00 ATOM 1056 CG LYS 136 4.695 19.473 14.839 1.00 0.00 ATOM 1057 CD LYS 136 4.388 18.858 16.183 1.00 0.00 ATOM 1058 CE LYS 136 3.447 17.711 15.953 1.00 0.00 ATOM 1059 NZ LYS 136 3.000 17.218 17.254 1.00 0.00 ATOM 1060 O LYS 136 7.151 22.756 15.721 1.00 0.00 ATOM 1061 C LYS 136 5.955 23.000 15.869 1.00 0.00 ATOM 1062 N LEU 137 5.441 24.218 15.769 1.00 0.00 ATOM 1063 CA LEU 137 6.294 25.397 15.831 1.00 0.00 ATOM 1064 CB LEU 137 6.684 25.682 14.385 1.00 0.00 ATOM 1065 CG LEU 137 7.259 27.069 14.223 1.00 0.00 ATOM 1066 CD1 LEU 137 8.150 27.221 13.003 1.00 0.00 ATOM 1067 CD2 LEU 137 5.984 27.847 13.996 1.00 0.00 ATOM 1068 O LEU 137 4.423 26.809 16.448 1.00 0.00 ATOM 1069 C LEU 137 5.598 26.500 16.654 1.00 0.00 ATOM 1070 N ASP 138 6.422 27.183 17.421 1.00 0.00 ATOM 1071 CA ASP 138 5.973 28.380 18.150 1.00 0.00 ATOM 1072 CB ASP 138 5.943 28.135 19.661 1.00 0.00 ATOM 1073 CG ASP 138 7.300 27.900 20.332 1.00 0.00 ATOM 1074 OD1 ASP 138 8.285 28.542 19.925 1.00 0.00 ATOM 1075 OD2 ASP 138 7.333 27.033 21.230 1.00 0.00 ATOM 1076 O ASP 138 7.866 29.464 17.158 1.00 0.00 ATOM 1077 C ASP 138 6.752 29.598 17.658 1.00 0.00 ATOM 1078 N LEU 139 6.158 30.751 17.833 1.00 0.00 ATOM 1079 CA LEU 139 6.800 31.994 17.403 1.00 0.00 ATOM 1080 CB LEU 139 5.786 33.137 17.250 1.00 0.00 ATOM 1081 CG LEU 139 4.778 32.960 16.112 1.00 0.00 ATOM 1082 CD1 LEU 139 3.731 34.068 16.200 1.00 0.00 ATOM 1083 CD2 LEU 139 5.402 33.111 14.739 1.00 0.00 ATOM 1084 O LEU 139 7.898 31.634 19.511 1.00 0.00 ATOM 1085 C LEU 139 7.840 32.343 18.484 1.00 0.00 TER END