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 5 Sat Jun 7 10:52:49 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 31.856 23.263 4.560 1.00 0.00 ATOM 2 CA MET 1 32.209 23.509 3.153 1.00 0.00 ATOM 3 CB MET 1 33.419 22.660 2.714 1.00 0.00 ATOM 4 CG MET 1 33.237 21.155 2.560 1.00 0.00 ATOM 5 SD MET 1 34.704 20.364 1.817 1.00 0.00 ATOM 6 CE MET 1 34.103 18.700 1.815 1.00 0.00 ATOM 7 O MET 1 30.200 22.361 2.655 1.00 0.00 ATOM 8 C MET 1 30.973 23.247 2.288 1.00 0.00 ATOM 9 N TRP 2 30.907 23.861 1.108 1.00 0.00 ATOM 10 CA TRP 2 29.762 23.639 0.214 1.00 0.00 ATOM 11 CB TRP 2 29.752 24.524 -1.040 1.00 0.00 ATOM 12 CG TRP 2 28.350 24.516 -1.656 1.00 0.00 ATOM 13 CD1 TRP 2 27.933 24.017 -2.818 1.00 0.00 ATOM 14 CD2 TRP 2 27.219 25.031 -1.036 1.00 0.00 ATOM 15 CE2 TRP 2 26.159 24.807 -1.888 1.00 0.00 ATOM 16 CE3 TRP 2 27.032 25.670 0.174 1.00 0.00 ATOM 17 NE1 TRP 2 26.625 24.186 -2.961 1.00 0.00 ATOM 18 CZ2 TRP 2 24.889 25.264 -1.577 1.00 0.00 ATOM 19 CZ3 TRP 2 25.760 26.091 0.510 1.00 0.00 ATOM 20 CH2 TRP 2 24.702 25.903 -0.367 1.00 0.00 ATOM 21 O TRP 2 28.626 21.599 -0.168 1.00 0.00 ATOM 22 C TRP 2 29.686 22.186 -0.239 1.00 0.00 ATOM 23 N LYS 3 30.855 21.587 -0.473 1.00 0.00 ATOM 24 CA LYS 3 30.942 20.165 -0.836 1.00 0.00 ATOM 25 CB LYS 3 32.333 19.638 -1.110 1.00 0.00 ATOM 26 CG LYS 3 32.764 20.027 -2.512 1.00 0.00 ATOM 27 CD LYS 3 34.201 19.565 -2.672 1.00 0.00 ATOM 28 CE LYS 3 34.686 20.086 -4.004 1.00 0.00 ATOM 29 NZ LYS 3 36.021 19.617 -4.298 1.00 0.00 ATOM 30 O LYS 3 29.356 18.695 -0.142 1.00 0.00 ATOM 31 C LYS 3 30.340 19.272 0.239 1.00 0.00 ATOM 32 N ALA 4 30.665 19.508 1.517 1.00 0.00 ATOM 33 CA ALA 4 30.111 18.752 2.657 1.00 0.00 ATOM 34 CB ALA 4 30.792 19.140 3.978 1.00 0.00 ATOM 35 O ALA 4 27.859 17.994 3.141 1.00 0.00 ATOM 36 C ALA 4 28.592 18.932 2.830 1.00 0.00 ATOM 37 N VAL 5 28.124 20.160 2.659 1.00 0.00 ATOM 38 CA VAL 5 26.689 20.476 2.797 1.00 0.00 ATOM 39 CB VAL 5 26.498 21.992 2.973 1.00 0.00 ATOM 40 CG1 VAL 5 25.027 22.393 3.156 1.00 0.00 ATOM 41 CG2 VAL 5 27.307 22.483 4.175 1.00 0.00 ATOM 42 O VAL 5 24.959 19.161 1.763 1.00 0.00 ATOM 43 C VAL 5 25.915 19.916 1.590 1.00 0.00 ATOM 44 N MET 6 26.485 20.134 0.406 1.00 0.00 ATOM 45 CA MET 6 25.940 19.688 -0.889 1.00 0.00 ATOM 46 CB MET 6 26.766 20.231 -2.042 1.00 0.00 ATOM 47 CG MET 6 25.895 20.255 -3.286 1.00 0.00 ATOM 48 SD MET 6 24.462 21.385 -3.307 1.00 0.00 ATOM 49 CE MET 6 23.138 20.235 -3.641 1.00 0.00 ATOM 50 O MET 6 24.575 17.792 -1.466 1.00 0.00 ATOM 51 C MET 6 25.637 18.185 -0.985 1.00 0.00 ATOM 52 N ASN 7 26.436 17.416 -0.243 1.00 0.00 ATOM 53 CA ASN 7 26.294 15.960 -0.097 1.00 0.00 ATOM 54 CB ASN 7 27.160 15.436 1.047 1.00 0.00 ATOM 55 CG ASN 7 28.551 15.961 1.265 1.00 0.00 ATOM 56 ND2 ASN 7 29.167 15.625 2.360 1.00 0.00 ATOM 57 OD1 ASN 7 29.182 16.415 0.349 1.00 0.00 ATOM 58 O ASN 7 24.253 14.699 -0.178 1.00 0.00 ATOM 59 C ASN 7 24.903 15.558 0.394 1.00 0.00 ATOM 60 N ALA 8 24.622 16.042 1.609 1.00 0.00 ATOM 61 CA ALA 8 23.456 15.653 2.401 1.00 0.00 ATOM 62 CB ALA 8 23.481 16.391 3.748 1.00 0.00 ATOM 63 O ALA 8 21.203 15.147 1.747 1.00 0.00 ATOM 64 C ALA 8 22.151 15.915 1.645 1.00 0.00 ATOM 65 N TRP 9 22.169 16.964 0.823 1.00 0.00 ATOM 66 CA TRP 9 21.056 17.315 -0.058 1.00 0.00 ATOM 67 CB TRP 9 21.370 18.560 -0.886 1.00 0.00 ATOM 68 CG TRP 9 21.723 19.749 0.005 1.00 0.00 ATOM 69 CD1 TRP 9 22.921 20.235 0.193 1.00 0.00 ATOM 70 CD2 TRP 9 20.904 20.518 0.794 1.00 0.00 ATOM 71 CE2 TRP 9 21.701 21.458 1.431 1.00 0.00 ATOM 72 CE3 TRP 9 19.552 20.473 1.013 1.00 0.00 ATOM 73 NE1 TRP 9 22.943 21.239 1.051 1.00 0.00 ATOM 74 CZ2 TRP 9 21.144 22.394 2.293 1.00 0.00 ATOM 75 CZ3 TRP 9 19.011 21.385 1.889 1.00 0.00 ATOM 76 CH2 TRP 9 19.782 22.358 2.516 1.00 0.00 ATOM 77 O TRP 9 21.630 15.471 -1.530 1.00 0.00 ATOM 78 C TRP 9 20.742 16.164 -1.030 1.00 0.00 ATOM 79 N ASN 10 19.512 16.158 -1.496 1.00 0.00 ATOM 80 CA ASN 10 19.017 15.100 -2.387 1.00 0.00 ATOM 81 CB ASN 10 17.497 14.927 -2.234 1.00 0.00 ATOM 82 CG ASN 10 16.726 16.153 -2.726 1.00 0.00 ATOM 83 ND2 ASN 10 15.421 16.059 -2.744 1.00 0.00 ATOM 84 OD1 ASN 10 17.262 17.202 -3.038 1.00 0.00 ATOM 85 O ASN 10 19.051 14.515 -4.712 1.00 0.00 ATOM 86 C ASN 10 19.408 15.320 -3.861 1.00 0.00 ATOM 87 N GLY 11 20.126 16.416 -4.138 1.00 0.00 ATOM 88 CA GLY 11 20.494 16.821 -5.512 1.00 0.00 ATOM 89 O GLY 11 22.410 16.943 -6.940 1.00 0.00 ATOM 90 C GLY 11 21.981 16.613 -5.843 1.00 0.00 ATOM 91 N THR 12 22.678 15.862 -4.987 1.00 0.00 ATOM 92 CA THR 12 24.028 15.452 -5.344 1.00 0.00 ATOM 93 CB THR 12 25.075 16.464 -4.918 1.00 0.00 ATOM 94 CG2 THR 12 26.397 15.843 -4.480 1.00 0.00 ATOM 95 OG1 THR 12 25.259 17.192 -6.133 1.00 0.00 ATOM 96 O THR 12 24.721 13.374 -4.252 1.00 0.00 ATOM 97 C THR 12 24.306 13.955 -5.260 1.00 0.00 ATOM 98 N GLU 13 24.097 13.399 -6.438 1.00 0.00 ATOM 99 CA GLU 13 23.917 11.947 -6.578 1.00 0.00 ATOM 100 CB GLU 13 23.548 11.640 -8.024 1.00 0.00 ATOM 101 CG GLU 13 23.336 10.139 -8.258 1.00 0.00 ATOM 102 CD GLU 13 23.128 9.801 -9.725 1.00 0.00 ATOM 103 OE1 GLU 13 23.203 8.591 -10.016 1.00 0.00 ATOM 104 OE2 GLU 13 22.870 10.755 -10.517 1.00 0.00 ATOM 105 O GLU 13 25.121 10.194 -5.433 1.00 0.00 ATOM 106 C GLU 13 25.174 11.168 -6.180 1.00 0.00 ATOM 107 N SER 14 26.302 11.717 -6.596 1.00 0.00 ATOM 108 CA SER 14 27.612 11.119 -6.306 1.00 0.00 ATOM 109 CB SER 14 28.615 11.958 -7.060 1.00 0.00 ATOM 110 OG SER 14 28.480 13.350 -6.748 1.00 0.00 ATOM 111 O SER 14 28.882 10.266 -4.450 1.00 0.00 ATOM 112 C SER 14 27.986 11.034 -4.829 1.00 0.00 ATOM 113 N GLN 15 27.225 11.720 -3.987 1.00 0.00 ATOM 114 CA GLN 15 27.460 11.710 -2.533 1.00 0.00 ATOM 115 CB GLN 15 27.381 13.153 -2.029 1.00 0.00 ATOM 116 CG GLN 15 28.525 14.013 -2.583 1.00 0.00 ATOM 117 CD GLN 15 29.852 13.642 -1.946 1.00 0.00 ATOM 118 OE1 GLN 15 30.676 12.899 -2.450 1.00 0.00 ATOM 119 NE2 GLN 15 30.098 14.228 -0.812 1.00 0.00 ATOM 120 O GLN 15 26.547 10.723 -0.547 1.00 0.00 ATOM 121 C GLN 15 26.483 10.797 -1.775 1.00 0.00 ATOM 122 N SER 16 25.789 9.932 -2.506 1.00 0.00 ATOM 123 CA SER 16 24.829 9.008 -1.851 1.00 0.00 ATOM 124 CB SER 16 23.918 8.224 -2.782 1.00 0.00 ATOM 125 OG SER 16 24.662 7.321 -3.590 1.00 0.00 ATOM 126 O SER 16 25.074 7.866 0.220 1.00 0.00 ATOM 127 C SER 16 25.478 7.990 -0.929 1.00 0.00 ATOM 128 N LYS 17 26.549 7.358 -1.400 1.00 0.00 ATOM 129 CA LYS 17 27.230 6.356 -0.575 1.00 0.00 ATOM 130 CB LYS 17 28.136 5.506 -1.460 1.00 0.00 ATOM 131 CG LYS 17 28.643 4.247 -0.755 1.00 0.00 ATOM 132 CD LYS 17 29.460 3.421 -1.737 1.00 0.00 ATOM 133 CE LYS 17 30.108 2.270 -0.990 1.00 0.00 ATOM 134 NZ LYS 17 30.547 1.240 -1.936 1.00 0.00 ATOM 135 O LYS 17 27.647 6.616 1.719 1.00 0.00 ATOM 136 C LYS 17 27.925 7.031 0.604 1.00 0.00 ATOM 137 N ASN 18 28.616 8.150 0.331 1.00 0.00 ATOM 138 CA ASN 18 29.338 8.917 1.360 1.00 0.00 ATOM 139 CB ASN 18 30.378 9.861 0.781 1.00 0.00 ATOM 140 CG ASN 18 31.604 9.088 0.318 1.00 0.00 ATOM 141 ND2 ASN 18 32.324 9.692 -0.579 1.00 0.00 ATOM 142 OD1 ASN 18 31.963 8.000 0.735 1.00 0.00 ATOM 143 O ASN 18 29.005 10.042 3.492 1.00 0.00 ATOM 144 C ASN 18 28.505 9.635 2.435 1.00 0.00 ATOM 145 N VAL 19 27.264 9.921 2.066 1.00 0.00 ATOM 146 CA VAL 19 26.356 10.621 2.997 1.00 0.00 ATOM 147 CB VAL 19 26.285 12.116 2.659 1.00 0.00 ATOM 148 CG1 VAL 19 25.573 12.931 3.750 1.00 0.00 ATOM 149 CG2 VAL 19 27.701 12.692 2.549 1.00 0.00 ATOM 150 O VAL 19 24.118 10.180 2.199 1.00 0.00 ATOM 151 C VAL 19 25.029 9.855 2.964 1.00 0.00 ATOM 152 N SER 20 25.036 8.765 3.721 1.00 0.00 ATOM 153 CA SER 20 23.923 7.820 3.934 1.00 0.00 ATOM 154 CB SER 20 24.402 6.969 5.115 1.00 0.00 ATOM 155 OG SER 20 23.322 6.192 5.603 1.00 0.00 ATOM 156 O SER 20 22.605 9.598 4.842 1.00 0.00 ATOM 157 C SER 20 22.586 8.493 4.296 1.00 0.00 ATOM 158 N ASN 21 21.506 7.697 4.327 1.00 0.00 ATOM 159 CA ASN 21 20.214 8.121 4.915 1.00 0.00 ATOM 160 CB ASN 21 19.149 7.028 4.967 1.00 0.00 ATOM 161 CG ASN 21 18.616 6.783 3.563 1.00 0.00 ATOM 162 ND2 ASN 21 17.975 5.656 3.382 1.00 0.00 ATOM 163 OD1 ASN 21 18.899 7.496 2.615 1.00 0.00 ATOM 164 O ASN 21 19.637 9.582 6.706 1.00 0.00 ATOM 165 C ASN 21 20.317 8.619 6.339 1.00 0.00 ATOM 166 N ILE 22 21.247 8.029 7.091 1.00 0.00 ATOM 167 CA ILE 22 21.444 8.422 8.487 1.00 0.00 ATOM 168 CB ILE 22 22.522 7.589 9.205 1.00 0.00 ATOM 169 CG1 ILE 22 22.321 7.762 10.717 1.00 0.00 ATOM 170 CG2 ILE 22 23.950 7.952 8.764 1.00 0.00 ATOM 171 CD1 ILE 22 23.191 6.856 11.582 1.00 0.00 ATOM 172 O ILE 22 21.596 10.423 9.725 1.00 0.00 ATOM 173 C ILE 22 21.749 9.927 8.628 1.00 0.00 ATOM 174 N GLN 23 22.340 10.519 7.587 1.00 0.00 ATOM 175 CA GLN 23 22.792 11.933 7.634 1.00 0.00 ATOM 176 CB GLN 23 24.104 12.099 6.857 1.00 0.00 ATOM 177 CG GLN 23 25.230 11.206 7.367 1.00 0.00 ATOM 178 CD GLN 23 25.608 11.504 8.808 1.00 0.00 ATOM 179 OE1 GLN 23 25.799 12.625 9.240 1.00 0.00 ATOM 180 NE2 GLN 23 25.755 10.457 9.575 1.00 0.00 ATOM 181 O GLN 23 22.014 14.137 6.972 1.00 0.00 ATOM 182 C GLN 23 21.773 12.926 7.056 1.00 0.00 ATOM 183 N SER 24 20.588 12.397 6.799 1.00 0.00 ATOM 184 CA SER 24 19.461 13.139 6.202 1.00 0.00 ATOM 185 CB SER 24 19.256 12.734 4.739 1.00 0.00 ATOM 186 OG SER 24 20.397 13.107 3.967 1.00 0.00 ATOM 187 O SER 24 17.947 11.712 7.401 1.00 0.00 ATOM 188 C SER 24 18.171 12.837 6.960 1.00 0.00 ATOM 189 N TYR 25 17.356 13.863 7.108 1.00 0.00 ATOM 190 CA TYR 25 16.014 13.692 7.707 1.00 0.00 ATOM 191 CB TYR 25 15.916 14.290 9.122 1.00 0.00 ATOM 192 CG TYR 25 16.390 13.330 10.208 1.00 0.00 ATOM 193 CD1 TYR 25 15.537 12.518 10.914 1.00 0.00 ATOM 194 CD2 TYR 25 17.723 13.218 10.485 1.00 0.00 ATOM 195 CE1 TYR 25 16.022 11.624 11.842 1.00 0.00 ATOM 196 CE2 TYR 25 18.239 12.327 11.434 1.00 0.00 ATOM 197 CZ TYR 25 17.362 11.506 12.124 1.00 0.00 ATOM 198 OH TYR 25 17.803 10.609 13.049 1.00 0.00 ATOM 199 O TYR 25 15.177 15.353 6.196 1.00 0.00 ATOM 200 C TYR 25 14.947 14.316 6.814 1.00 0.00 ATOM 201 N SER 26 13.822 13.624 6.733 1.00 0.00 ATOM 202 CA SER 26 12.700 14.093 5.916 1.00 0.00 ATOM 203 CB SER 26 12.011 12.882 5.276 1.00 0.00 ATOM 204 OG SER 26 11.262 12.138 6.229 1.00 0.00 ATOM 205 O SER 26 11.785 14.926 7.991 1.00 0.00 ATOM 206 C SER 26 11.708 14.907 6.762 1.00 0.00 ATOM 207 N PHE 27 10.709 15.443 6.075 1.00 0.00 ATOM 208 CA PHE 27 9.590 16.121 6.737 1.00 0.00 ATOM 209 CB PHE 27 8.650 16.634 5.651 1.00 0.00 ATOM 210 CG PHE 27 7.390 17.229 6.261 1.00 0.00 ATOM 211 CD1 PHE 27 7.387 18.538 6.709 1.00 0.00 ATOM 212 CD2 PHE 27 6.246 16.457 6.397 1.00 0.00 ATOM 213 CE1 PHE 27 6.250 19.092 7.278 1.00 0.00 ATOM 214 CE2 PHE 27 5.113 17.044 6.931 1.00 0.00 ATOM 215 CZ PHE 27 5.105 18.332 7.385 1.00 0.00 ATOM 216 O PHE 27 8.654 15.481 8.884 1.00 0.00 ATOM 217 C PHE 27 8.866 15.175 7.699 1.00 0.00 ATOM 218 N GLU 28 8.610 13.960 7.214 1.00 0.00 ATOM 219 CA GLU 28 7.933 12.905 7.998 1.00 0.00 ATOM 220 CB GLU 28 7.733 11.636 7.169 1.00 0.00 ATOM 221 CG GLU 28 6.719 11.855 6.047 1.00 0.00 ATOM 222 CD GLU 28 6.498 10.623 5.162 1.00 0.00 ATOM 223 OE1 GLU 28 7.189 9.603 5.365 1.00 0.00 ATOM 224 OE2 GLU 28 5.499 10.673 4.428 1.00 0.00 ATOM 225 O GLU 28 8.094 12.406 10.341 1.00 0.00 ATOM 226 C GLU 28 8.702 12.526 9.266 1.00 0.00 ATOM 227 N ASP 29 10.020 12.427 9.148 1.00 0.00 ATOM 228 CA ASP 29 10.863 12.093 10.311 1.00 0.00 ATOM 229 CB ASP 29 12.290 11.830 9.855 1.00 0.00 ATOM 230 CG ASP 29 12.444 10.521 9.088 1.00 0.00 ATOM 231 OD1 ASP 29 11.970 9.481 9.599 1.00 0.00 ATOM 232 OD2 ASP 29 13.012 10.606 7.989 1.00 0.00 ATOM 233 O ASP 29 10.629 12.850 12.578 1.00 0.00 ATOM 234 C ASP 29 10.851 13.174 11.399 1.00 0.00 ATOM 235 N MET 30 10.856 14.428 10.966 1.00 0.00 ATOM 236 CA MET 30 10.805 15.577 11.889 1.00 0.00 ATOM 237 CB MET 30 11.019 16.872 11.119 1.00 0.00 ATOM 238 CG MET 30 11.906 17.820 11.932 1.00 0.00 ATOM 239 SD MET 30 13.551 17.141 12.372 1.00 0.00 ATOM 240 CE MET 30 14.265 16.989 10.750 1.00 0.00 ATOM 241 O MET 30 9.405 15.770 13.851 1.00 0.00 ATOM 242 C MET 30 9.461 15.667 12.623 1.00 0.00 ATOM 243 N LYS 31 8.405 15.513 11.847 1.00 0.00 ATOM 244 CA LYS 31 7.040 15.552 12.401 1.00 0.00 ATOM 245 CB LYS 31 6.046 15.478 11.253 1.00 0.00 ATOM 246 CG LYS 31 4.631 15.442 11.819 1.00 0.00 ATOM 247 CD LYS 31 3.642 15.263 10.692 1.00 0.00 ATOM 248 CE LYS 31 2.496 14.317 11.019 1.00 0.00 ATOM 249 NZ LYS 31 1.652 14.859 12.080 1.00 0.00 ATOM 250 O LYS 31 6.299 14.734 14.516 1.00 0.00 ATOM 251 C LYS 31 6.846 14.450 13.453 1.00 0.00 ATOM 252 N ARG 32 7.405 13.273 13.195 1.00 0.00 ATOM 253 CA ARG 32 7.335 12.178 14.175 1.00 0.00 ATOM 254 CB ARG 32 7.885 10.877 13.635 1.00 0.00 ATOM 255 CG ARG 32 7.076 10.213 12.535 1.00 0.00 ATOM 256 CD ARG 32 7.968 9.143 11.935 1.00 0.00 ATOM 257 NE ARG 32 7.276 8.474 10.845 1.00 0.00 ATOM 258 CZ ARG 32 7.878 7.704 9.934 1.00 0.00 ATOM 259 NH1 ARG 32 9.191 7.505 9.945 1.00 0.00 ATOM 260 NH2 ARG 32 7.150 7.108 9.006 1.00 0.00 ATOM 261 O ARG 32 7.548 12.278 16.552 1.00 0.00 ATOM 262 C ARG 32 8.071 12.506 15.471 1.00 0.00 ATOM 263 N ILE 33 9.249 13.122 15.363 1.00 0.00 ATOM 264 CA ILE 33 10.016 13.555 16.539 1.00 0.00 ATOM 265 CB ILE 33 11.384 14.142 16.148 1.00 0.00 ATOM 266 CG1 ILE 33 12.259 13.011 15.589 1.00 0.00 ATOM 267 CG2 ILE 33 12.080 14.854 17.325 1.00 0.00 ATOM 268 CD1 ILE 33 13.547 13.495 14.938 1.00 0.00 ATOM 269 O ILE 33 9.052 14.384 18.576 1.00 0.00 ATOM 270 C ILE 33 9.198 14.559 17.361 1.00 0.00 ATOM 271 N VAL 34 8.660 15.562 16.688 1.00 0.00 ATOM 272 CA VAL 34 7.855 16.607 17.363 1.00 0.00 ATOM 273 CB VAL 34 7.408 17.729 16.427 1.00 0.00 ATOM 274 CG1 VAL 34 6.438 18.714 17.089 1.00 0.00 ATOM 275 CG2 VAL 34 8.609 18.504 15.881 1.00 0.00 ATOM 276 O VAL 34 6.305 16.283 19.146 1.00 0.00 ATOM 277 C VAL 34 6.637 15.961 18.021 1.00 0.00 ATOM 278 N GLY 35 5.992 15.069 17.295 1.00 0.00 ATOM 279 CA GLY 35 4.781 14.445 17.835 1.00 0.00 ATOM 280 O GLY 35 4.215 13.267 19.871 1.00 0.00 ATOM 281 C GLY 35 5.058 13.473 18.991 1.00 0.00 ATOM 282 N LYS 36 6.205 12.816 18.918 1.00 0.00 ATOM 283 CA LYS 36 6.665 11.875 19.958 1.00 0.00 ATOM 284 CB LYS 36 7.718 10.924 19.402 1.00 0.00 ATOM 285 CG LYS 36 7.098 10.053 18.314 1.00 0.00 ATOM 286 CD LYS 36 8.026 8.952 17.840 1.00 0.00 ATOM 287 CE LYS 36 9.252 9.522 17.146 1.00 0.00 ATOM 288 NZ LYS 36 9.965 8.418 16.542 1.00 0.00 ATOM 289 O LYS 36 7.284 12.035 22.261 1.00 0.00 ATOM 290 C LYS 36 7.263 12.594 21.165 1.00 0.00 ATOM 291 N HIS 37 7.781 13.793 20.902 1.00 0.00 ATOM 292 CA HIS 37 8.346 14.665 21.947 1.00 0.00 ATOM 293 CB HIS 37 7.264 14.961 22.997 1.00 0.00 ATOM 294 CG HIS 37 6.067 15.710 22.406 1.00 0.00 ATOM 295 CD2 HIS 37 4.809 15.301 22.359 1.00 0.00 ATOM 296 ND1 HIS 37 6.093 16.938 21.890 1.00 0.00 ATOM 297 CE1 HIS 37 4.868 17.291 21.533 1.00 0.00 ATOM 298 NE2 HIS 37 4.067 16.264 21.822 1.00 0.00 ATOM 299 O HIS 37 9.936 14.283 23.732 1.00 0.00 ATOM 300 C HIS 37 9.627 14.083 22.559 1.00 0.00 ATOM 301 N ASP 38 10.370 13.360 21.725 1.00 0.00 ATOM 302 CA ASP 38 11.595 12.735 22.222 1.00 0.00 ATOM 303 CB ASP 38 11.812 11.338 21.624 1.00 0.00 ATOM 304 CG ASP 38 12.887 10.595 22.430 1.00 0.00 ATOM 305 OD1 ASP 38 12.587 10.161 23.556 1.00 0.00 ATOM 306 OD2 ASP 38 14.014 10.578 21.941 1.00 0.00 ATOM 307 O ASP 38 12.873 14.223 20.847 1.00 0.00 ATOM 308 C ASP 38 12.743 13.713 21.973 1.00 0.00 ATOM 309 N PRO 39 13.534 13.946 23.031 1.00 0.00 ATOM 310 CA PRO 39 14.786 14.710 22.937 1.00 0.00 ATOM 311 CB PRO 39 15.254 14.857 24.390 1.00 0.00 ATOM 312 CG PRO 39 14.269 14.135 25.297 1.00 0.00 ATOM 313 CD PRO 39 13.413 13.306 24.359 1.00 0.00 ATOM 314 O PRO 39 16.996 13.993 22.314 1.00 0.00 ATOM 315 C PRO 39 15.794 13.874 22.128 1.00 0.00 ATOM 316 N ASN 40 15.291 13.078 21.188 1.00 0.00 ATOM 317 CA ASN 40 16.007 12.092 20.369 1.00 0.00 ATOM 318 CB ASN 40 15.059 11.423 19.369 1.00 0.00 ATOM 319 CG ASN 40 15.674 10.199 18.709 1.00 0.00 ATOM 320 ND2 ASN 40 15.377 10.047 17.465 1.00 0.00 ATOM 321 OD1 ASN 40 16.416 9.360 19.197 1.00 0.00 ATOM 322 O ASN 40 18.267 12.176 19.585 1.00 0.00 ATOM 323 C ASN 40 17.176 12.718 19.632 1.00 0.00 ATOM 324 N VAL 41 16.947 13.964 19.268 1.00 0.00 ATOM 325 CA VAL 41 17.987 14.817 18.691 1.00 0.00 ATOM 326 CB VAL 41 17.976 14.843 17.151 1.00 0.00 ATOM 327 CG1 VAL 41 18.191 13.470 16.520 1.00 0.00 ATOM 328 CG2 VAL 41 16.625 15.351 16.667 1.00 0.00 ATOM 329 O VAL 41 16.676 16.744 19.327 1.00 0.00 ATOM 330 C VAL 41 17.787 16.232 19.219 1.00 0.00 ATOM 331 N VAL 42 18.931 16.846 19.462 1.00 0.00 ATOM 332 CA VAL 42 18.959 18.292 19.720 1.00 0.00 ATOM 333 CB VAL 42 20.248 18.692 20.449 1.00 0.00 ATOM 334 CG1 VAL 42 20.349 20.191 20.655 1.00 0.00 ATOM 335 CG2 VAL 42 20.375 17.993 21.806 1.00 0.00 ATOM 336 O VAL 42 19.496 18.619 17.386 1.00 0.00 ATOM 337 C VAL 42 18.816 18.978 18.350 1.00 0.00 ATOM 338 N LEU 43 17.910 19.944 18.308 1.00 0.00 ATOM 339 CA LEU 43 17.652 20.712 17.080 1.00 0.00 ATOM 340 CB LEU 43 16.150 20.831 16.786 1.00 0.00 ATOM 341 CG LEU 43 15.424 19.490 16.636 1.00 0.00 ATOM 342 CD1 LEU 43 13.919 19.741 16.458 1.00 0.00 ATOM 343 CD2 LEU 43 15.921 18.712 15.420 1.00 0.00 ATOM 344 O LEU 43 17.892 22.858 18.156 1.00 0.00 ATOM 345 C LEU 43 18.257 22.103 17.258 1.00 0.00 ATOM 346 N VAL 44 19.262 22.388 16.439 1.00 0.00 ATOM 347 CA VAL 44 20.010 23.643 16.562 1.00 0.00 ATOM 348 CB VAL 44 21.484 23.363 16.842 1.00 0.00 ATOM 349 CG1 VAL 44 22.278 24.665 16.907 1.00 0.00 ATOM 350 CG2 VAL 44 21.709 22.521 18.098 1.00 0.00 ATOM 351 O VAL 44 20.074 23.978 14.182 1.00 0.00 ATOM 352 C VAL 44 19.811 24.460 15.279 1.00 0.00 ATOM 353 N ASP 45 19.355 25.690 15.485 1.00 0.00 ATOM 354 CA ASP 45 19.106 26.619 14.367 1.00 0.00 ATOM 355 CB ASP 45 17.765 27.332 14.586 1.00 0.00 ATOM 356 CG ASP 45 17.285 28.155 13.371 1.00 0.00 ATOM 357 OD1 ASP 45 18.041 28.330 12.394 1.00 0.00 ATOM 358 OD2 ASP 45 16.189 28.732 13.470 1.00 0.00 ATOM 359 O ASP 45 20.483 28.402 15.229 1.00 0.00 ATOM 360 C ASP 45 20.217 27.669 14.280 1.00 0.00 ATOM 361 N VAL 46 20.762 27.814 13.071 1.00 0.00 ATOM 362 CA VAL 46 21.855 28.767 12.767 1.00 0.00 ATOM 363 CB VAL 46 22.830 28.222 11.720 1.00 0.00 ATOM 364 CG1 VAL 46 23.561 27.005 12.239 1.00 0.00 ATOM 365 CG2 VAL 46 22.123 27.958 10.387 1.00 0.00 ATOM 366 O VAL 46 22.304 30.978 11.903 1.00 0.00 ATOM 367 C VAL 46 21.456 30.185 12.321 1.00 0.00 ATOM 368 N ARG 47 20.153 30.415 12.177 1.00 0.00 ATOM 369 CA ARG 47 19.665 31.723 11.719 1.00 0.00 ATOM 370 CB ARG 47 18.150 31.739 11.585 1.00 0.00 ATOM 371 CG ARG 47 17.685 30.851 10.434 1.00 0.00 ATOM 372 CD ARG 47 16.169 30.917 10.404 1.00 0.00 ATOM 373 NE ARG 47 15.707 32.193 9.844 1.00 0.00 ATOM 374 CZ ARG 47 14.440 32.602 9.835 1.00 0.00 ATOM 375 NH1 ARG 47 14.100 33.767 9.305 1.00 0.00 ATOM 376 NH2 ARG 47 13.480 31.859 10.352 1.00 0.00 ATOM 377 O ARG 47 20.546 32.569 13.813 1.00 0.00 ATOM 378 C ARG 47 20.098 32.828 12.695 1.00 0.00 ATOM 379 N GLU 48 20.058 34.061 12.198 1.00 0.00 ATOM 380 CA GLU 48 20.340 35.225 13.040 1.00 0.00 ATOM 381 CB GLU 48 20.249 36.522 12.241 1.00 0.00 ATOM 382 CG GLU 48 21.396 36.672 11.242 1.00 0.00 ATOM 383 CD GLU 48 21.301 37.971 10.429 1.00 0.00 ATOM 384 OE1 GLU 48 20.379 38.771 10.672 1.00 0.00 ATOM 385 OE2 GLU 48 22.223 38.184 9.631 1.00 0.00 ATOM 386 O GLU 48 18.173 34.864 14.033 1.00 0.00 ATOM 387 C GLU 48 19.322 35.284 14.195 1.00 0.00 ATOM 388 N PRO 49 19.747 35.814 15.336 1.00 0.00 ATOM 389 CA PRO 49 18.912 35.816 16.533 1.00 0.00 ATOM 390 CB PRO 49 19.759 36.580 17.517 1.00 0.00 ATOM 391 CG PRO 49 21.208 36.309 17.150 1.00 0.00 ATOM 392 CD PRO 49 21.120 36.270 15.631 1.00 0.00 ATOM 393 O PRO 49 16.585 36.086 17.052 1.00 0.00 ATOM 394 C PRO 49 17.543 36.508 16.423 1.00 0.00 ATOM 395 N SER 50 17.444 37.578 15.630 1.00 0.00 ATOM 396 CA SER 50 16.196 38.368 15.558 1.00 0.00 ATOM 397 CB SER 50 16.460 39.632 14.762 1.00 0.00 ATOM 398 OG SER 50 17.241 40.602 15.438 1.00 0.00 ATOM 399 O SER 50 13.934 37.573 15.579 1.00 0.00 ATOM 400 C SER 50 14.992 37.624 14.949 1.00 0.00 ATOM 401 N GLU 51 15.221 36.946 13.826 1.00 0.00 ATOM 402 CA GLU 51 14.162 36.132 13.194 1.00 0.00 ATOM 403 CB GLU 51 14.531 35.699 11.775 1.00 0.00 ATOM 404 CG GLU 51 14.321 36.797 10.729 1.00 0.00 ATOM 405 CD GLU 51 12.847 37.135 10.518 1.00 0.00 ATOM 406 OE1 GLU 51 12.170 36.325 9.827 1.00 0.00 ATOM 407 OE2 GLU 51 12.456 38.199 11.037 1.00 0.00 ATOM 408 O GLU 51 12.629 34.614 14.230 1.00 0.00 ATOM 409 C GLU 51 13.808 34.894 14.029 1.00 0.00 ATOM 410 N TYR 52 14.846 34.304 14.637 1.00 0.00 ATOM 411 CA TYR 52 14.693 33.200 15.603 1.00 0.00 ATOM 412 CB TYR 52 16.077 32.868 16.176 1.00 0.00 ATOM 413 CG TYR 52 16.047 31.891 17.362 1.00 0.00 ATOM 414 CD1 TYR 52 16.244 30.536 17.148 1.00 0.00 ATOM 415 CD2 TYR 52 15.956 32.382 18.663 1.00 0.00 ATOM 416 CE1 TYR 52 16.406 29.676 18.219 1.00 0.00 ATOM 417 CE2 TYR 52 16.101 31.510 19.746 1.00 0.00 ATOM 418 CZ TYR 52 16.358 30.170 19.524 1.00 0.00 ATOM 419 OH TYR 52 16.778 29.391 20.554 1.00 0.00 ATOM 420 O TYR 52 12.623 33.116 16.792 1.00 0.00 ATOM 421 C TYR 52 13.736 33.607 16.722 1.00 0.00 ATOM 422 N SER 53 13.970 34.784 17.282 1.00 0.00 ATOM 423 CA SER 53 13.126 35.292 18.391 1.00 0.00 ATOM 424 CB SER 53 13.703 36.589 18.957 1.00 0.00 ATOM 425 OG SER 53 14.991 36.280 19.488 1.00 0.00 ATOM 426 O SER 53 10.764 35.185 18.740 1.00 0.00 ATOM 427 C SER 53 11.663 35.511 17.980 1.00 0.00 ATOM 428 N ILE 54 11.453 35.993 16.757 1.00 0.00 ATOM 429 CA ILE 54 10.087 36.158 16.221 1.00 0.00 ATOM 430 CB ILE 54 10.073 36.852 14.837 1.00 0.00 ATOM 431 CG1 ILE 54 10.674 38.265 14.937 1.00 0.00 ATOM 432 CG2 ILE 54 8.675 36.891 14.204 1.00 0.00 ATOM 433 CD1 ILE 54 10.080 39.126 16.052 1.00 0.00 ATOM 434 O ILE 54 8.238 34.705 16.600 1.00 0.00 ATOM 435 C ILE 54 9.385 34.820 16.169 1.00 0.00 ATOM 436 N VAL 55 10.171 33.863 15.691 1.00 0.00 ATOM 437 CA VAL 55 9.762 32.485 15.576 1.00 0.00 ATOM 438 CB VAL 55 8.591 32.512 14.622 1.00 0.00 ATOM 439 CG1 VAL 55 8.850 32.773 13.118 1.00 0.00 ATOM 440 CG2 VAL 55 7.981 31.295 15.244 1.00 0.00 ATOM 441 O VAL 55 11.461 31.627 14.138 1.00 0.00 ATOM 442 C VAL 55 10.834 31.455 15.182 1.00 0.00 ATOM 443 N HIS 56 10.716 30.274 15.807 1.00 0.00 ATOM 444 CA HIS 56 11.586 29.101 15.555 1.00 0.00 ATOM 445 CB HIS 56 13.014 29.473 15.993 1.00 0.00 ATOM 446 CG HIS 56 13.062 29.779 17.496 1.00 0.00 ATOM 447 CD2 HIS 56 13.519 29.000 18.448 1.00 0.00 ATOM 448 ND1 HIS 56 12.682 30.894 18.101 1.00 0.00 ATOM 449 CE1 HIS 56 12.959 30.832 19.387 1.00 0.00 ATOM 450 NE2 HIS 56 13.486 29.650 19.606 1.00 0.00 ATOM 451 O HIS 56 10.641 27.916 17.381 1.00 0.00 ATOM 452 C HIS 56 11.078 27.820 16.250 1.00 0.00 ATOM 453 N ILE 57 11.469 26.636 15.699 1.00 0.00 ATOM 454 CA ILE 57 10.899 25.306 16.040 1.00 0.00 ATOM 455 CB ILE 57 11.438 24.092 15.248 1.00 0.00 ATOM 456 CG1 ILE 57 11.315 24.369 13.739 1.00 0.00 ATOM 457 CG2 ILE 57 10.704 22.780 15.580 1.00 0.00 ATOM 458 CD1 ILE 57 11.950 23.371 12.771 1.00 0.00 ATOM 459 O ILE 57 11.846 25.165 18.182 1.00 0.00 ATOM 460 C ILE 57 10.790 25.078 17.549 1.00 0.00 ATOM 461 N PRO 58 9.643 24.665 18.131 1.00 0.00 ATOM 462 CA PRO 58 9.607 24.410 19.585 1.00 0.00 ATOM 463 CB PRO 58 8.235 23.815 19.865 1.00 0.00 ATOM 464 CG PRO 58 7.380 24.425 18.760 1.00 0.00 ATOM 465 CD PRO 58 8.317 24.364 17.554 1.00 0.00 ATOM 466 O PRO 58 10.988 22.515 19.074 1.00 0.00 ATOM 467 C PRO 58 10.700 23.381 19.899 1.00 0.00 ATOM 468 N ALA 59 11.418 23.626 20.995 1.00 0.00 ATOM 469 CA ALA 59 12.553 22.800 21.482 1.00 0.00 ATOM 470 CB ALA 59 12.267 21.284 21.386 1.00 0.00 ATOM 471 O ALA 59 14.894 22.374 21.085 1.00 0.00 ATOM 472 C ALA 59 13.912 23.053 20.800 1.00 0.00 ATOM 473 N SER 60 13.997 24.084 19.963 1.00 0.00 ATOM 474 CA SER 60 15.256 24.420 19.271 1.00 0.00 ATOM 475 CB SER 60 14.964 25.144 17.980 1.00 0.00 ATOM 476 OG SER 60 14.331 26.374 18.281 1.00 0.00 ATOM 477 O SER 60 15.791 25.915 21.090 1.00 0.00 ATOM 478 C SER 60 16.207 25.278 20.119 1.00 0.00 ATOM 479 N ILE 61 17.480 25.230 19.739 1.00 0.00 ATOM 480 CA ILE 61 18.526 26.078 20.342 1.00 0.00 ATOM 481 CB ILE 61 19.641 25.203 20.954 1.00 0.00 ATOM 482 CG1 ILE 61 19.051 24.318 22.064 1.00 0.00 ATOM 483 CG2 ILE 61 20.785 26.083 21.511 1.00 0.00 ATOM 484 CD1 ILE 61 19.962 23.177 22.482 1.00 0.00 ATOM 485 O ILE 61 19.482 26.347 18.167 1.00 0.00 ATOM 486 C ILE 61 19.107 26.902 19.196 1.00 0.00 ATOM 487 N ASN 62 19.328 28.188 19.449 1.00 0.00 ATOM 488 CA ASN 62 19.912 29.076 18.438 1.00 0.00 ATOM 489 CB ASN 62 19.326 30.465 18.637 1.00 0.00 ATOM 490 CG ASN 62 19.723 31.461 17.562 1.00 0.00 ATOM 491 ND2 ASN 62 19.433 31.148 16.316 1.00 0.00 ATOM 492 OD1 ASN 62 20.313 32.486 17.855 1.00 0.00 ATOM 493 O ASN 62 21.976 29.540 19.595 1.00 0.00 ATOM 494 C ASN 62 21.435 29.181 18.550 1.00 0.00 ATOM 495 N VAL 63 22.090 28.956 17.411 1.00 0.00 ATOM 496 CA VAL 63 23.530 29.193 17.239 1.00 0.00 ATOM 497 CB VAL 63 24.347 27.892 17.223 1.00 0.00 ATOM 498 CG1 VAL 63 25.846 28.170 17.180 1.00 0.00 ATOM 499 CG2 VAL 63 24.061 27.013 18.438 1.00 0.00 ATOM 500 O VAL 63 23.937 29.390 14.887 1.00 0.00 ATOM 501 C VAL 63 23.715 29.990 15.930 1.00 0.00 ATOM 502 N PRO 64 23.596 31.316 15.968 1.00 0.00 ATOM 503 CA PRO 64 23.719 32.188 14.778 1.00 0.00 ATOM 504 CB PRO 64 23.810 33.599 15.332 1.00 0.00 ATOM 505 CG PRO 64 22.847 33.458 16.494 1.00 0.00 ATOM 506 CD PRO 64 23.203 32.106 17.126 1.00 0.00 ATOM 507 O PRO 64 26.087 31.963 14.662 1.00 0.00 ATOM 508 C PRO 64 25.026 31.844 14.063 1.00 0.00 ATOM 509 N TYR 65 24.938 31.669 12.755 1.00 0.00 ATOM 510 CA TYR 65 26.093 31.160 11.994 1.00 0.00 ATOM 511 CB TYR 65 25.757 31.003 10.501 1.00 0.00 ATOM 512 CG TYR 65 25.634 32.348 9.785 1.00 0.00 ATOM 513 CD1 TYR 65 26.757 32.951 9.222 1.00 0.00 ATOM 514 CD2 TYR 65 24.412 33.001 9.730 1.00 0.00 ATOM 515 CE1 TYR 65 26.659 34.180 8.593 1.00 0.00 ATOM 516 CE2 TYR 65 24.313 34.230 9.102 1.00 0.00 ATOM 517 CZ TYR 65 25.430 34.811 8.523 1.00 0.00 ATOM 518 OH TYR 65 25.357 36.022 7.921 1.00 0.00 ATOM 519 O TYR 65 28.486 31.518 12.066 1.00 0.00 ATOM 520 C TYR 65 27.367 32.005 12.113 1.00 0.00 ATOM 521 N ARG 66 27.185 33.332 12.163 1.00 0.00 ATOM 522 CA ARG 66 28.344 34.244 12.125 1.00 0.00 ATOM 523 CB ARG 66 27.934 35.697 11.954 1.00 0.00 ATOM 524 CG ARG 66 27.233 36.256 13.184 1.00 0.00 ATOM 525 CD ARG 66 26.850 37.703 12.900 1.00 0.00 ATOM 526 NE ARG 66 26.236 38.302 14.088 1.00 0.00 ATOM 527 CZ ARG 66 24.988 38.086 14.490 1.00 0.00 ATOM 528 NH1 ARG 66 24.517 38.673 15.574 1.00 0.00 ATOM 529 NH2 ARG 66 24.181 37.280 13.808 1.00 0.00 ATOM 530 O ARG 66 30.425 34.449 13.300 1.00 0.00 ATOM 531 C ARG 66 29.263 34.060 13.347 1.00 0.00 ATOM 532 N SER 67 28.687 33.579 14.451 1.00 0.00 ATOM 533 CA SER 67 29.433 33.333 15.692 1.00 0.00 ATOM 534 CB SER 67 28.521 32.846 16.826 1.00 0.00 ATOM 535 OG SER 67 28.015 31.542 16.513 1.00 0.00 ATOM 536 O SER 67 31.414 32.225 16.441 1.00 0.00 ATOM 537 C SER 67 30.588 32.325 15.544 1.00 0.00 ATOM 538 N HIS 68 30.515 31.488 14.501 1.00 0.00 ATOM 539 CA HIS 68 31.537 30.470 14.198 1.00 0.00 ATOM 540 CB HIS 68 30.961 29.075 14.495 1.00 0.00 ATOM 541 CG HIS 68 30.623 28.878 15.979 1.00 0.00 ATOM 542 CD2 HIS 68 29.418 28.822 16.525 1.00 0.00 ATOM 543 ND1 HIS 68 31.516 28.677 16.938 1.00 0.00 ATOM 544 CE1 HIS 68 30.865 28.534 18.075 1.00 0.00 ATOM 545 NE2 HIS 68 29.571 28.618 17.834 1.00 0.00 ATOM 546 O HIS 68 31.720 29.713 11.902 1.00 0.00 ATOM 547 C HIS 68 31.969 30.591 12.720 1.00 0.00 ATOM 548 N PRO 69 32.583 31.727 12.368 1.00 0.00 ATOM 549 CA PRO 69 32.905 32.077 10.978 1.00 0.00 ATOM 550 CB PRO 69 33.382 33.521 11.022 1.00 0.00 ATOM 551 CG PRO 69 33.977 33.623 12.402 1.00 0.00 ATOM 552 CD PRO 69 33.107 32.751 13.283 1.00 0.00 ATOM 553 O PRO 69 34.582 30.334 10.929 1.00 0.00 ATOM 554 C PRO 69 33.904 31.134 10.320 1.00 0.00 ATOM 555 N ASP 70 33.834 31.087 9.002 1.00 0.00 ATOM 556 CA ASP 70 34.744 30.279 8.182 1.00 0.00 ATOM 557 CB ASP 70 34.361 30.488 6.710 1.00 0.00 ATOM 558 CG ASP 70 32.871 30.769 6.435 1.00 0.00 ATOM 559 OD1 ASP 70 32.647 31.551 5.497 1.00 0.00 ATOM 560 OD2 ASP 70 32.005 30.187 7.126 1.00 0.00 ATOM 561 O ASP 70 37.144 30.050 8.554 1.00 0.00 ATOM 562 C ASP 70 36.178 30.793 8.385 1.00 0.00 ATOM 563 N ALA 71 36.275 32.116 8.241 1.00 0.00 ATOM 564 CA ALA 71 37.542 32.861 8.341 1.00 0.00 ATOM 565 CB ALA 71 37.335 34.324 7.978 1.00 0.00 ATOM 566 O ALA 71 39.366 32.664 9.876 1.00 0.00 ATOM 567 C ALA 71 38.159 32.814 9.730 1.00 0.00 ATOM 568 N PHE 72 37.304 32.906 10.737 1.00 0.00 ATOM 569 CA PHE 72 37.751 32.765 12.126 1.00 0.00 ATOM 570 CB PHE 72 37.096 33.835 12.991 1.00 0.00 ATOM 571 CG PHE 72 37.694 35.208 12.789 1.00 0.00 ATOM 572 CD1 PHE 72 38.793 35.547 13.564 1.00 0.00 ATOM 573 CD2 PHE 72 37.180 36.073 11.851 1.00 0.00 ATOM 574 CE1 PHE 72 39.390 36.781 13.394 1.00 0.00 ATOM 575 CE2 PHE 72 37.790 37.307 11.662 1.00 0.00 ATOM 576 CZ PHE 72 38.895 37.654 12.437 1.00 0.00 ATOM 577 O PHE 72 36.174 31.024 12.510 1.00 0.00 ATOM 578 C PHE 72 37.310 31.415 12.679 1.00 0.00 ATOM 579 N ALA 73 38.134 30.759 13.453 1.00 0.00 ATOM 580 CA ALA 73 37.658 29.523 14.085 1.00 0.00 ATOM 581 CB ALA 73 38.580 28.361 13.723 1.00 0.00 ATOM 582 O ALA 73 38.523 30.252 16.174 1.00 0.00 ATOM 583 C ALA 73 37.578 29.752 15.583 1.00 0.00 ATOM 584 N LEU 74 36.434 29.469 16.183 1.00 0.00 ATOM 585 CA LEU 74 36.370 29.575 17.645 1.00 0.00 ATOM 586 CB LEU 74 34.891 29.795 18.020 1.00 0.00 ATOM 587 CG LEU 74 34.331 31.236 17.914 1.00 0.00 ATOM 588 CD1 LEU 74 34.891 32.132 19.016 1.00 0.00 ATOM 589 CD2 LEU 74 34.526 31.902 16.547 1.00 0.00 ATOM 590 O LEU 74 36.315 27.260 17.977 1.00 0.00 ATOM 591 C LEU 74 36.975 28.254 18.149 1.00 0.00 ATOM 592 N ASP 75 38.322 28.203 18.238 1.00 0.00 ATOM 593 CA ASP 75 39.140 26.994 18.503 1.00 0.00 ATOM 594 CB ASP 75 40.356 27.275 19.399 1.00 0.00 ATOM 595 CG ASP 75 40.026 27.613 20.845 1.00 0.00 ATOM 596 OD1 ASP 75 40.128 28.820 21.144 1.00 0.00 ATOM 597 OD2 ASP 75 39.697 26.685 21.612 1.00 0.00 ATOM 598 O ASP 75 37.365 25.927 19.718 1.00 0.00 ATOM 599 C ASP 75 38.383 25.773 19.041 1.00 0.00 ATOM 600 N PRO 76 38.823 24.550 18.782 1.00 0.00 ATOM 601 CA PRO 76 38.061 23.363 19.215 1.00 0.00 ATOM 602 CB PRO 76 39.054 22.249 19.018 1.00 0.00 ATOM 603 CG PRO 76 39.731 22.707 17.732 1.00 0.00 ATOM 604 CD PRO 76 40.024 24.159 18.025 1.00 0.00 ATOM 605 O PRO 76 36.385 23.171 20.891 1.00 0.00 ATOM 606 C PRO 76 37.572 23.403 20.665 1.00 0.00 ATOM 607 N LEU 77 38.396 23.918 21.568 1.00 0.00 ATOM 608 CA LEU 77 37.962 24.116 22.966 1.00 0.00 ATOM 609 CB LEU 77 39.099 24.630 23.844 1.00 0.00 ATOM 610 CG LEU 77 40.230 23.638 24.055 1.00 0.00 ATOM 611 CD1 LEU 77 41.306 24.399 24.816 1.00 0.00 ATOM 612 CD2 LEU 77 39.788 22.434 24.890 1.00 0.00 ATOM 613 O LEU 77 35.789 24.818 23.732 1.00 0.00 ATOM 614 C LEU 77 36.801 25.115 23.092 1.00 0.00 ATOM 615 N GLU 78 36.911 26.229 22.378 1.00 0.00 ATOM 616 CA GLU 78 35.857 27.262 22.314 1.00 0.00 ATOM 617 CB GLU 78 36.271 28.417 21.398 1.00 0.00 ATOM 618 CG GLU 78 37.373 29.268 21.985 1.00 0.00 ATOM 619 CD GLU 78 36.955 29.926 23.287 1.00 0.00 ATOM 620 OE1 GLU 78 35.921 30.633 23.245 1.00 0.00 ATOM 621 OE2 GLU 78 37.740 29.763 24.261 1.00 0.00 ATOM 622 O GLU 78 33.479 26.875 22.338 1.00 0.00 ATOM 623 C GLU 78 34.546 26.727 21.744 1.00 0.00 ATOM 624 N PHE 79 34.674 26.004 20.636 1.00 0.00 ATOM 625 CA PHE 79 33.494 25.394 19.995 1.00 0.00 ATOM 626 CB PHE 79 33.888 24.535 18.820 1.00 0.00 ATOM 627 CG PHE 79 34.164 25.231 17.514 1.00 0.00 ATOM 628 CD1 PHE 79 33.200 26.051 16.955 1.00 0.00 ATOM 629 CD2 PHE 79 35.373 25.015 16.884 1.00 0.00 ATOM 630 CE1 PHE 79 33.479 26.677 15.757 1.00 0.00 ATOM 631 CE2 PHE 79 35.656 25.652 15.695 1.00 0.00 ATOM 632 CZ PHE 79 34.710 26.495 15.133 1.00 0.00 ATOM 633 O PHE 79 31.565 24.509 21.095 1.00 0.00 ATOM 634 C PHE 79 32.787 24.419 20.940 1.00 0.00 ATOM 635 N GLU 80 33.583 23.595 21.623 1.00 0.00 ATOM 636 CA GLU 80 33.054 22.633 22.593 1.00 0.00 ATOM 637 CB GLU 80 34.159 21.838 23.271 1.00 0.00 ATOM 638 CG GLU 80 34.793 20.806 22.350 1.00 0.00 ATOM 639 CD GLU 80 36.025 20.135 22.957 1.00 0.00 ATOM 640 OE1 GLU 80 36.395 20.450 24.106 1.00 0.00 ATOM 641 OE2 GLU 80 36.613 19.291 22.241 1.00 0.00 ATOM 642 O GLU 80 31.151 22.969 24.038 1.00 0.00 ATOM 643 C GLU 80 32.290 23.337 23.720 1.00 0.00 ATOM 644 N LYS 81 32.866 24.441 24.170 1.00 0.00 ATOM 645 CA LYS 81 32.252 25.262 25.226 1.00 0.00 ATOM 646 CB LYS 81 33.196 26.395 25.625 1.00 0.00 ATOM 647 CG LYS 81 34.404 25.876 26.401 1.00 0.00 ATOM 648 CD LYS 81 35.318 27.056 26.748 1.00 0.00 ATOM 649 CE LYS 81 36.515 26.588 27.558 1.00 0.00 ATOM 650 NZ LYS 81 37.380 27.730 27.914 1.00 0.00 ATOM 651 O LYS 81 29.939 25.907 25.445 1.00 0.00 ATOM 652 C LYS 81 30.941 25.867 24.730 1.00 0.00 ATOM 653 N GLN 82 30.982 26.293 23.470 1.00 0.00 ATOM 654 CA GLN 82 29.835 26.876 22.803 1.00 0.00 ATOM 655 CB GLN 82 30.054 27.358 21.357 1.00 0.00 ATOM 656 CG GLN 82 28.805 28.086 20.779 1.00 0.00 ATOM 657 CD GLN 82 28.558 29.521 21.249 1.00 0.00 ATOM 658 OE1 GLN 82 27.822 30.294 20.675 1.00 0.00 ATOM 659 NE2 GLN 82 29.303 29.978 22.227 1.00 0.00 ATOM 660 O GLN 82 27.708 26.394 22.658 1.00 0.00 ATOM 661 C GLN 82 28.747 25.843 22.743 1.00 0.00 ATOM 662 N ILE 83 28.920 24.574 22.408 1.00 0.00 ATOM 663 CA ILE 83 27.819 23.569 22.378 1.00 0.00 ATOM 664 CB ILE 83 28.359 22.289 21.725 1.00 0.00 ATOM 665 CG1 ILE 83 28.963 22.644 20.364 1.00 0.00 ATOM 666 CG2 ILE 83 27.320 21.179 21.543 1.00 0.00 ATOM 667 CD1 ILE 83 27.968 23.211 19.361 1.00 0.00 ATOM 668 O ILE 83 26.089 23.171 24.026 1.00 0.00 ATOM 669 C ILE 83 27.285 23.252 23.783 1.00 0.00 ATOM 670 N GLY 84 28.223 23.141 24.712 1.00 0.00 ATOM 671 CA GLY 84 27.915 22.858 26.116 1.00 0.00 ATOM 672 O GLY 84 26.087 23.697 27.470 1.00 0.00 ATOM 673 C GLY 84 27.075 23.957 26.779 1.00 0.00 ATOM 674 N ILE 85 27.461 25.200 26.531 1.00 0.00 ATOM 675 CA ILE 85 26.748 26.367 27.100 1.00 0.00 ATOM 676 CB ILE 85 27.688 27.581 26.968 1.00 0.00 ATOM 677 CG1 ILE 85 28.847 27.345 27.956 1.00 0.00 ATOM 678 CG2 ILE 85 26.994 28.930 27.179 1.00 0.00 ATOM 679 CD1 ILE 85 29.961 28.386 27.920 1.00 0.00 ATOM 680 O ILE 85 24.438 27.134 27.262 1.00 0.00 ATOM 681 C ILE 85 25.275 26.509 26.615 1.00 0.00 ATOM 682 N PRO 86 24.946 26.024 25.422 1.00 0.00 ATOM 683 CA PRO 86 23.573 25.977 24.910 1.00 0.00 ATOM 684 CB PRO 86 23.648 26.206 23.389 1.00 0.00 ATOM 685 CG PRO 86 25.054 25.815 23.033 1.00 0.00 ATOM 686 CD PRO 86 25.766 26.301 24.292 1.00 0.00 ATOM 687 O PRO 86 21.668 24.595 24.892 1.00 0.00 ATOM 688 C PRO 86 22.812 24.719 25.303 1.00 0.00 ATOM 689 N LYS 87 23.447 23.800 26.057 1.00 0.00 ATOM 690 CA LYS 87 22.864 22.483 26.411 1.00 0.00 ATOM 691 CB LYS 87 21.484 22.648 27.069 1.00 0.00 ATOM 692 CG LYS 87 21.487 23.609 28.254 1.00 0.00 ATOM 693 CD LYS 87 20.092 23.675 28.844 1.00 0.00 ATOM 694 CE LYS 87 20.024 24.737 29.930 1.00 0.00 ATOM 695 NZ LYS 87 18.710 24.818 30.542 1.00 0.00 ATOM 696 O LYS 87 21.786 20.703 25.201 1.00 0.00 ATOM 697 C LYS 87 22.747 21.462 25.244 1.00 0.00 ATOM 698 N PRO 88 23.464 21.629 24.120 1.00 0.00 ATOM 699 CA PRO 88 23.741 20.514 23.196 1.00 0.00 ATOM 700 CB PRO 88 23.894 21.094 21.791 1.00 0.00 ATOM 701 CG PRO 88 23.937 22.598 21.964 1.00 0.00 ATOM 702 CD PRO 88 23.143 22.729 23.226 1.00 0.00 ATOM 703 O PRO 88 26.033 19.912 23.755 1.00 0.00 ATOM 704 C PRO 88 24.876 19.559 23.552 1.00 0.00 ATOM 705 N ASP 89 24.407 18.341 23.761 1.00 0.00 ATOM 706 CA ASP 89 25.279 17.214 24.126 1.00 0.00 ATOM 707 CB ASP 89 24.555 16.240 25.054 1.00 0.00 ATOM 708 CG ASP 89 25.433 15.067 25.529 1.00 0.00 ATOM 709 OD1 ASP 89 26.567 14.924 25.013 1.00 0.00 ATOM 710 OD2 ASP 89 24.890 14.266 26.318 1.00 0.00 ATOM 711 O ASP 89 24.914 15.899 22.126 1.00 0.00 ATOM 712 C ASP 89 25.710 16.509 22.836 1.00 0.00 ATOM 713 N SER 90 26.984 16.739 22.518 1.00 0.00 ATOM 714 CA SER 90 27.657 16.169 21.339 1.00 0.00 ATOM 715 CB SER 90 29.111 16.638 21.263 1.00 0.00 ATOM 716 OG SER 90 29.895 16.124 22.350 1.00 0.00 ATOM 717 O SER 90 27.802 14.074 20.187 1.00 0.00 ATOM 718 C SER 90 27.642 14.638 21.266 1.00 0.00 ATOM 719 N ALA 91 27.539 13.994 22.431 1.00 0.00 ATOM 720 CA ALA 91 27.428 12.518 22.506 1.00 0.00 ATOM 721 CB ALA 91 27.799 12.025 23.904 1.00 0.00 ATOM 722 O ALA 91 25.850 10.840 21.814 1.00 0.00 ATOM 723 C ALA 91 26.027 12.011 22.108 1.00 0.00 ATOM 724 N LYS 92 25.084 12.917 21.940 1.00 0.00 ATOM 725 CA LYS 92 23.705 12.551 21.585 1.00 0.00 ATOM 726 CB LYS 92 22.744 13.209 22.571 1.00 0.00 ATOM 727 CG LYS 92 22.914 12.649 23.981 1.00 0.00 ATOM 728 CD LYS 92 21.869 13.315 24.865 1.00 0.00 ATOM 729 CE LYS 92 22.068 12.754 26.252 1.00 0.00 ATOM 730 NZ LYS 92 21.079 13.286 27.175 1.00 0.00 ATOM 731 O LYS 92 24.022 13.804 19.545 1.00 0.00 ATOM 732 C LYS 92 23.367 12.962 20.152 1.00 0.00 ATOM 733 N GLU 93 22.280 12.404 19.647 1.00 0.00 ATOM 734 CA GLU 93 21.822 12.660 18.278 1.00 0.00 ATOM 735 CB GLU 93 20.626 11.804 17.919 1.00 0.00 ATOM 736 CG GLU 93 20.846 10.306 17.893 1.00 0.00 ATOM 737 CD GLU 93 19.629 9.541 17.367 1.00 0.00 ATOM 738 OE1 GLU 93 18.516 10.101 17.275 1.00 0.00 ATOM 739 OE2 GLU 93 19.871 8.385 17.034 1.00 0.00 ATOM 740 O GLU 93 20.833 14.714 19.069 1.00 0.00 ATOM 741 C GLU 93 21.395 14.106 18.149 1.00 0.00 ATOM 742 N LEU 94 21.723 14.616 16.980 1.00 0.00 ATOM 743 CA LEU 94 21.522 16.038 16.647 1.00 0.00 ATOM 744 CB LEU 94 22.841 16.811 16.810 1.00 0.00 ATOM 745 CG LEU 94 23.597 16.657 18.143 1.00 0.00 ATOM 746 CD1 LEU 94 24.801 17.591 18.169 1.00 0.00 ATOM 747 CD2 LEU 94 22.765 16.986 19.371 1.00 0.00 ATOM 748 O LEU 94 21.584 15.506 14.299 1.00 0.00 ATOM 749 C LEU 94 21.054 16.151 15.194 1.00 0.00 ATOM 750 N ILE 95 19.986 16.925 15.022 1.00 0.00 ATOM 751 CA ILE 95 19.543 17.381 13.693 1.00 0.00 ATOM 752 CB ILE 95 18.074 16.992 13.405 1.00 0.00 ATOM 753 CG1 ILE 95 17.880 15.464 13.437 1.00 0.00 ATOM 754 CG2 ILE 95 17.616 17.535 12.048 1.00 0.00 ATOM 755 CD1 ILE 95 16.416 15.016 13.378 1.00 0.00 ATOM 756 O ILE 95 19.478 19.557 14.751 1.00 0.00 ATOM 757 C ILE 95 19.723 18.902 13.738 1.00 0.00 ATOM 758 N PHE 96 20.224 19.432 12.633 1.00 0.00 ATOM 759 CA PHE 96 20.373 20.882 12.492 1.00 0.00 ATOM 760 CB PHE 96 21.803 21.249 12.096 1.00 0.00 ATOM 761 CG PHE 96 22.776 21.067 13.257 1.00 0.00 ATOM 762 CD1 PHE 96 23.673 20.008 13.208 1.00 0.00 ATOM 763 CD2 PHE 96 22.850 21.969 14.309 1.00 0.00 ATOM 764 CE1 PHE 96 24.622 19.883 14.213 1.00 0.00 ATOM 765 CE2 PHE 96 23.803 21.815 15.316 1.00 0.00 ATOM 766 CZ PHE 96 24.697 20.760 15.276 1.00 0.00 ATOM 767 O PHE 96 18.879 20.606 10.637 1.00 0.00 ATOM 768 C PHE 96 19.385 21.387 11.448 1.00 0.00 ATOM 769 N TYR 97 19.091 22.678 11.517 1.00 0.00 ATOM 770 CA TYR 97 18.140 23.294 10.590 1.00 0.00 ATOM 771 CB TYR 97 16.681 23.019 11.008 1.00 0.00 ATOM 772 CG TYR 97 16.193 23.876 12.173 1.00 0.00 ATOM 773 CD1 TYR 97 15.452 25.023 11.914 1.00 0.00 ATOM 774 CD2 TYR 97 16.449 23.509 13.481 1.00 0.00 ATOM 775 CE1 TYR 97 14.959 25.795 12.965 1.00 0.00 ATOM 776 CE2 TYR 97 15.957 24.267 14.536 1.00 0.00 ATOM 777 CZ TYR 97 15.199 25.401 14.266 1.00 0.00 ATOM 778 OH TYR 97 14.699 26.162 15.272 1.00 0.00 ATOM 779 O TYR 97 19.077 25.424 11.274 1.00 0.00 ATOM 780 C TYR 97 18.365 24.802 10.486 1.00 0.00 ATOM 781 N CYS 98 17.812 25.335 9.416 1.00 0.00 ATOM 782 CA CYS 98 17.785 26.794 9.208 1.00 0.00 ATOM 783 CB CYS 98 18.963 27.174 8.300 1.00 0.00 ATOM 784 SG CYS 98 18.819 26.388 6.646 1.00 0.00 ATOM 785 O CYS 98 15.502 26.268 8.619 1.00 0.00 ATOM 786 C CYS 98 16.414 27.100 8.605 1.00 0.00 ATOM 787 N ALA 99 16.301 28.218 7.912 1.00 0.00 ATOM 788 CA ALA 99 15.034 28.534 7.228 1.00 0.00 ATOM 789 CB ALA 99 14.397 29.794 7.810 1.00 0.00 ATOM 790 O ALA 99 14.734 29.659 5.179 1.00 0.00 ATOM 791 C ALA 99 15.210 28.668 5.723 1.00 0.00 ATOM 792 N SER 100 16.059 27.806 5.151 1.00 0.00 ATOM 793 CA SER 100 16.352 27.732 3.701 1.00 0.00 ATOM 794 CB SER 100 15.058 27.751 2.818 1.00 0.00 ATOM 795 OG SER 100 14.292 28.966 2.784 1.00 0.00 ATOM 796 O SER 100 17.897 28.609 2.072 1.00 0.00 ATOM 797 C SER 100 17.490 28.657 3.232 1.00 0.00 ATOM 798 N GLY 101 18.293 29.143 4.196 1.00 0.00 ATOM 799 CA GLY 101 19.487 29.979 3.951 1.00 0.00 ATOM 800 O GLY 101 21.847 29.768 3.646 1.00 0.00 ATOM 801 C GLY 101 20.763 29.191 3.614 1.00 0.00 ATOM 802 N LYS 102 20.617 27.884 3.395 1.00 0.00 ATOM 803 CA LYS 102 21.718 26.987 3.004 1.00 0.00 ATOM 804 CB LYS 102 22.295 27.457 1.668 1.00 0.00 ATOM 805 CG LYS 102 21.334 27.642 0.510 1.00 0.00 ATOM 806 CD LYS 102 22.121 28.216 -0.657 1.00 0.00 ATOM 807 CE LYS 102 21.192 28.374 -1.827 1.00 0.00 ATOM 808 NZ LYS 102 21.931 28.912 -2.964 1.00 0.00 ATOM 809 O LYS 102 24.042 26.984 3.714 1.00 0.00 ATOM 810 C LYS 102 22.854 26.971 4.045 1.00 0.00 ATOM 811 N ARG 103 22.469 27.063 5.309 1.00 0.00 ATOM 812 CA ARG 103 23.430 27.082 6.421 1.00 0.00 ATOM 813 CB ARG 103 23.341 28.393 7.221 1.00 0.00 ATOM 814 CG ARG 103 23.447 29.668 6.398 1.00 0.00 ATOM 815 CD ARG 103 22.948 30.841 7.233 1.00 0.00 ATOM 816 NE ARG 103 22.955 32.038 6.383 1.00 0.00 ATOM 817 CZ ARG 103 22.373 33.202 6.705 1.00 0.00 ATOM 818 NH1 ARG 103 21.726 33.381 7.842 1.00 0.00 ATOM 819 NH2 ARG 103 22.425 34.208 5.866 1.00 0.00 ATOM 820 O ARG 103 23.724 25.888 8.507 1.00 0.00 ATOM 821 C ARG 103 23.206 25.906 7.389 1.00 0.00 ATOM 822 N GLY 104 22.481 24.896 6.907 1.00 0.00 ATOM 823 CA GLY 104 22.191 23.691 7.683 1.00 0.00 ATOM 824 O GLY 104 23.448 21.910 8.733 1.00 0.00 ATOM 825 C GLY 104 23.407 22.766 7.841 1.00 0.00 ATOM 826 N GLY 105 24.394 22.971 6.979 1.00 0.00 ATOM 827 CA GLY 105 25.598 22.118 6.981 1.00 0.00 ATOM 828 O GLY 105 27.826 22.001 7.836 1.00 0.00 ATOM 829 C GLY 105 26.844 22.718 7.661 1.00 0.00 ATOM 830 N GLU 106 26.785 23.978 8.074 1.00 0.00 ATOM 831 CA GLU 106 27.877 24.549 8.891 1.00 0.00 ATOM 832 CB GLU 106 27.816 26.081 8.994 1.00 0.00 ATOM 833 CG GLU 106 28.114 26.796 7.678 1.00 0.00 ATOM 834 CD GLU 106 29.473 26.418 7.062 1.00 0.00 ATOM 835 OE1 GLU 106 30.489 26.509 7.781 1.00 0.00 ATOM 836 OE2 GLU 106 29.465 25.833 5.955 1.00 0.00 ATOM 837 O GLU 106 28.985 23.643 10.825 1.00 0.00 ATOM 838 C GLU 106 27.918 23.938 10.287 1.00 0.00 ATOM 839 N ALA 107 26.746 23.620 10.823 1.00 0.00 ATOM 840 CA ALA 107 26.697 22.903 12.103 1.00 0.00 ATOM 841 CB ALA 107 25.278 22.981 12.612 1.00 0.00 ATOM 842 O ALA 107 28.008 21.001 12.779 1.00 0.00 ATOM 843 C ALA 107 27.165 21.450 11.989 1.00 0.00 ATOM 844 N GLN 108 26.803 20.807 10.880 1.00 0.00 ATOM 845 CA GLN 108 27.358 19.482 10.544 1.00 0.00 ATOM 846 CB GLN 108 26.771 18.992 9.240 1.00 0.00 ATOM 847 CG GLN 108 25.287 18.664 9.308 1.00 0.00 ATOM 848 CD GLN 108 24.804 18.212 7.935 1.00 0.00 ATOM 849 OE1 GLN 108 25.469 18.262 6.906 1.00 0.00 ATOM 850 NE2 GLN 108 23.585 17.761 7.929 1.00 0.00 ATOM 851 O GLN 108 29.563 18.725 11.054 1.00 0.00 ATOM 852 C GLN 108 28.890 19.516 10.404 1.00 0.00 ATOM 853 N LYS 109 29.422 20.561 9.766 1.00 0.00 ATOM 854 CA LYS 109 30.872 20.726 9.603 1.00 0.00 ATOM 855 CB LYS 109 31.161 21.918 8.684 1.00 0.00 ATOM 856 CG LYS 109 32.656 22.072 8.395 1.00 0.00 ATOM 857 CD LYS 109 32.955 23.270 7.489 1.00 0.00 ATOM 858 CE LYS 109 34.461 23.446 7.251 1.00 0.00 ATOM 859 NZ LYS 109 34.768 24.648 6.448 1.00 0.00 ATOM 860 O LYS 109 32.609 20.257 11.213 1.00 0.00 ATOM 861 C LYS 109 31.582 20.897 10.951 1.00 0.00 ATOM 862 N VAL 110 31.037 21.782 11.780 1.00 0.00 ATOM 863 CA VAL 110 31.564 22.053 13.137 1.00 0.00 ATOM 864 CB VAL 110 30.765 23.162 13.856 1.00 0.00 ATOM 865 CG1 VAL 110 31.218 23.361 15.307 1.00 0.00 ATOM 866 CG2 VAL 110 30.909 24.508 13.144 1.00 0.00 ATOM 867 O VAL 110 32.607 20.393 14.528 1.00 0.00 ATOM 868 C VAL 110 31.582 20.768 13.974 1.00 0.00 ATOM 869 N ALA 111 30.455 20.062 13.988 1.00 0.00 ATOM 870 CA ALA 111 30.339 18.802 14.757 1.00 0.00 ATOM 871 CB ALA 111 28.916 18.270 14.711 1.00 0.00 ATOM 872 O ALA 111 31.973 17.051 15.047 1.00 0.00 ATOM 873 C ALA 111 31.302 17.722 14.253 1.00 0.00 ATOM 874 N SER 112 31.467 17.663 12.932 1.00 0.00 ATOM 875 CA SER 112 32.409 16.731 12.308 1.00 0.00 ATOM 876 CB SER 112 32.306 16.849 10.800 1.00 0.00 ATOM 877 OG SER 112 30.994 16.485 10.367 1.00 0.00 ATOM 878 O SER 112 34.527 16.094 13.180 1.00 0.00 ATOM 879 C SER 112 33.847 17.016 12.738 1.00 0.00 ATOM 880 N SER 113 34.233 18.285 12.739 1.00 0.00 ATOM 881 CA SER 113 35.583 18.676 13.232 1.00 0.00 ATOM 882 CB SER 113 35.945 20.127 12.917 1.00 0.00 ATOM 883 OG SER 113 35.096 21.040 13.594 1.00 0.00 ATOM 884 O SER 113 36.977 18.299 15.150 1.00 0.00 ATOM 885 C SER 113 35.835 18.407 14.727 1.00 0.00 ATOM 886 N HIS 114 34.739 18.228 15.461 1.00 0.00 ATOM 887 CA HIS 114 34.771 17.782 16.868 1.00 0.00 ATOM 888 CB HIS 114 33.821 18.626 17.728 1.00 0.00 ATOM 889 CG HIS 114 34.388 20.016 17.961 1.00 0.00 ATOM 890 CD2 HIS 114 34.914 20.499 19.088 1.00 0.00 ATOM 891 ND1 HIS 114 34.526 20.926 17.009 1.00 0.00 ATOM 892 CE1 HIS 114 35.172 21.940 17.530 1.00 0.00 ATOM 893 NE2 HIS 114 35.395 21.702 18.821 1.00 0.00 ATOM 894 O HIS 114 34.162 15.780 18.114 1.00 0.00 ATOM 895 C HIS 114 34.502 16.278 17.044 1.00 0.00 ATOM 896 N GLY 115 34.630 15.542 15.942 1.00 0.00 ATOM 897 CA GLY 115 34.551 14.066 15.881 1.00 0.00 ATOM 898 O GLY 115 33.031 12.213 16.024 1.00 0.00 ATOM 899 C GLY 115 33.147 13.433 15.904 1.00 0.00 ATOM 900 N TYR 116 32.135 14.207 15.538 1.00 0.00 ATOM 901 CA TYR 116 30.737 13.725 15.425 1.00 0.00 ATOM 902 CB TYR 116 29.831 14.445 16.440 1.00 0.00 ATOM 903 CG TYR 116 28.379 13.949 16.393 1.00 0.00 ATOM 904 CD1 TYR 116 28.057 12.722 16.951 1.00 0.00 ATOM 905 CD2 TYR 116 27.361 14.711 15.848 1.00 0.00 ATOM 906 CE1 TYR 116 26.751 12.256 16.977 1.00 0.00 ATOM 907 CE2 TYR 116 26.054 14.245 15.874 1.00 0.00 ATOM 908 CZ TYR 116 25.739 13.025 16.432 1.00 0.00 ATOM 909 OH TYR 116 24.461 12.572 16.429 1.00 0.00 ATOM 910 O TYR 116 29.688 14.976 13.650 1.00 0.00 ATOM 911 C TYR 116 30.239 13.930 13.993 1.00 0.00 ATOM 912 N SER 117 30.449 12.919 13.163 1.00 0.00 ATOM 913 CA SER 117 30.075 13.007 11.731 1.00 0.00 ATOM 914 CB SER 117 30.843 11.992 10.907 1.00 0.00 ATOM 915 OG SER 117 30.383 10.690 11.265 1.00 0.00 ATOM 916 O SER 117 28.131 12.822 10.325 1.00 0.00 ATOM 917 C SER 117 28.568 12.797 11.473 1.00 0.00 ATOM 918 N ASN 118 27.867 12.388 12.527 1.00 0.00 ATOM 919 CA ASN 118 26.470 11.909 12.459 1.00 0.00 ATOM 920 CB ASN 118 26.194 10.977 13.619 1.00 0.00 ATOM 921 CG ASN 118 26.840 9.638 13.365 1.00 0.00 ATOM 922 ND2 ASN 118 27.091 8.963 14.429 1.00 0.00 ATOM 923 OD1 ASN 118 27.122 9.229 12.257 1.00 0.00 ATOM 924 O ASN 118 24.186 12.552 12.632 1.00 0.00 ATOM 925 C ASN 118 25.350 12.926 12.456 1.00 0.00 ATOM 926 N THR 119 25.668 14.203 12.374 1.00 0.00 ATOM 927 CA THR 119 24.561 15.166 12.330 1.00 0.00 ATOM 928 CB THR 119 25.003 16.606 12.555 1.00 0.00 ATOM 929 CG2 THR 119 25.592 16.737 13.933 1.00 0.00 ATOM 930 OG1 THR 119 26.029 16.942 11.633 1.00 0.00 ATOM 931 O THR 119 24.375 14.733 9.958 1.00 0.00 ATOM 932 C THR 119 23.815 15.015 11.018 1.00 0.00 ATOM 933 N SER 120 22.529 15.216 11.118 1.00 0.00 ATOM 934 CA SER 120 21.691 15.140 9.925 1.00 0.00 ATOM 935 CB SER 120 20.601 14.171 10.224 1.00 0.00 ATOM 936 OG SER 120 21.007 12.826 10.159 1.00 0.00 ATOM 937 O SER 120 20.835 17.268 10.598 1.00 0.00 ATOM 938 C SER 120 21.055 16.486 9.671 1.00 0.00 ATOM 939 N LEU 121 20.851 16.762 8.394 1.00 0.00 ATOM 940 CA LEU 121 20.256 18.049 8.009 1.00 0.00 ATOM 941 CB LEU 121 20.943 18.633 6.768 1.00 0.00 ATOM 942 CG LEU 121 20.270 19.920 6.264 1.00 0.00 ATOM 943 CD1 LEU 121 20.226 21.011 7.325 1.00 0.00 ATOM 944 CD2 LEU 121 20.956 20.412 5.003 1.00 0.00 ATOM 945 O LEU 121 18.370 16.912 7.075 1.00 0.00 ATOM 946 C LEU 121 18.777 17.865 7.739 1.00 0.00 ATOM 947 N TYR 122 17.985 18.781 8.265 1.00 0.00 ATOM 948 CA TYR 122 16.595 18.871 7.830 1.00 0.00 ATOM 949 CB TYR 122 15.711 19.463 8.925 1.00 0.00 ATOM 950 CG TYR 122 14.225 19.494 8.524 1.00 0.00 ATOM 951 CD1 TYR 122 13.688 18.609 7.595 1.00 0.00 ATOM 952 CD2 TYR 122 13.402 20.429 9.122 1.00 0.00 ATOM 953 CE1 TYR 122 12.344 18.671 7.254 1.00 0.00 ATOM 954 CE2 TYR 122 12.060 20.503 8.789 1.00 0.00 ATOM 955 CZ TYR 122 11.533 19.622 7.851 1.00 0.00 ATOM 956 OH TYR 122 10.224 19.624 7.580 1.00 0.00 ATOM 957 O TYR 122 16.534 20.969 6.705 1.00 0.00 ATOM 958 C TYR 122 16.576 19.750 6.563 1.00 0.00 ATOM 959 N PRO 123 16.661 19.170 5.362 1.00 0.00 ATOM 960 CA PRO 123 16.803 19.944 4.115 1.00 0.00 ATOM 961 CB PRO 123 16.847 18.923 2.982 1.00 0.00 ATOM 962 CG PRO 123 16.100 17.721 3.527 1.00 0.00 ATOM 963 CD PRO 123 16.348 17.770 5.031 1.00 0.00 ATOM 964 O PRO 123 15.830 22.077 3.604 1.00 0.00 ATOM 965 C PRO 123 15.640 20.898 3.907 1.00 0.00 ATOM 966 N GLY 124 14.438 20.411 4.205 1.00 0.00 ATOM 967 CA GLY 124 13.225 21.207 4.086 1.00 0.00 ATOM 968 O GLY 124 13.147 23.596 4.436 1.00 0.00 ATOM 969 C GLY 124 13.329 22.480 4.937 1.00 0.00 ATOM 970 N SER 125 13.744 22.276 6.192 1.00 0.00 ATOM 971 CA SER 125 14.008 23.386 7.128 1.00 0.00 ATOM 972 CB SER 125 15.071 24.322 6.527 1.00 0.00 ATOM 973 OG SER 125 16.373 23.773 6.602 1.00 0.00 ATOM 974 O SER 125 11.599 23.726 7.139 1.00 0.00 ATOM 975 C SER 125 12.715 24.160 7.431 1.00 0.00 ATOM 976 N MET 126 12.883 25.394 7.901 1.00 0.00 ATOM 977 CA MET 126 11.757 26.259 8.272 1.00 0.00 ATOM 978 CB MET 126 12.234 27.509 8.980 1.00 0.00 ATOM 979 CG MET 126 12.862 27.229 10.340 1.00 0.00 ATOM 980 SD MET 126 13.467 28.750 11.169 1.00 0.00 ATOM 981 CE MET 126 11.933 29.543 11.627 1.00 0.00 ATOM 982 O MET 126 9.647 26.557 7.207 1.00 0.00 ATOM 983 C MET 126 10.861 26.662 7.097 1.00 0.00 ATOM 984 N ASN 127 11.445 27.054 5.963 1.00 0.00 ATOM 985 CA ASN 127 10.602 27.416 4.812 1.00 0.00 ATOM 986 CB ASN 127 11.514 27.947 3.728 1.00 0.00 ATOM 987 CG ASN 127 10.726 28.240 2.476 1.00 0.00 ATOM 988 ND2 ASN 127 9.995 29.316 2.509 1.00 0.00 ATOM 989 OD1 ASN 127 10.698 27.431 1.573 1.00 0.00 ATOM 990 O ASN 127 8.536 26.445 4.044 1.00 0.00 ATOM 991 C ASN 127 9.719 26.249 4.324 1.00 0.00 ATOM 992 N ASP 128 10.277 25.049 4.346 1.00 0.00 ATOM 993 CA ASP 128 9.507 23.853 3.977 1.00 0.00 ATOM 994 CB ASP 128 10.384 22.635 3.858 1.00 0.00 ATOM 995 CG ASP 128 9.628 21.328 3.662 1.00 0.00 ATOM 996 OD1 ASP 128 9.177 21.118 2.522 1.00 0.00 ATOM 997 OD2 ASP 128 9.475 20.618 4.677 1.00 0.00 ATOM 998 O ASP 128 7.307 23.111 4.530 1.00 0.00 ATOM 999 C ASP 128 8.376 23.518 4.952 1.00 0.00 ATOM 1000 N TRP 129 8.589 23.795 6.230 1.00 0.00 ATOM 1001 CA TRP 129 7.563 23.560 7.248 1.00 0.00 ATOM 1002 CB TRP 129 8.158 23.830 8.630 1.00 0.00 ATOM 1003 CG TRP 129 7.160 23.611 9.776 1.00 0.00 ATOM 1004 CD1 TRP 129 6.687 24.562 10.571 1.00 0.00 ATOM 1005 CD2 TRP 129 6.674 22.409 10.267 1.00 0.00 ATOM 1006 CE2 TRP 129 5.932 22.718 11.399 1.00 0.00 ATOM 1007 CE3 TRP 129 6.729 21.108 9.812 1.00 0.00 ATOM 1008 NE1 TRP 129 5.972 24.029 11.567 1.00 0.00 ATOM 1009 CZ2 TRP 129 5.242 21.730 12.084 1.00 0.00 ATOM 1010 CZ3 TRP 129 6.029 20.114 10.485 1.00 0.00 ATOM 1011 CH2 TRP 129 5.301 20.425 11.621 1.00 0.00 ATOM 1012 O TRP 129 5.188 23.906 6.952 1.00 0.00 ATOM 1013 C TRP 129 6.307 24.413 6.957 1.00 0.00 ATOM 1014 N VAL 130 6.553 25.634 6.487 1.00 0.00 ATOM 1015 CA VAL 130 5.435 26.518 6.085 1.00 0.00 ATOM 1016 CB VAL 130 5.903 27.973 5.896 1.00 0.00 ATOM 1017 CG1 VAL 130 4.769 28.893 5.452 1.00 0.00 ATOM 1018 CG2 VAL 130 6.405 28.523 7.226 1.00 0.00 ATOM 1019 O VAL 130 3.481 26.000 4.784 1.00 0.00 ATOM 1020 C VAL 130 4.704 25.959 4.859 1.00 0.00 ATOM 1021 N SER 131 5.476 25.410 3.922 1.00 0.00 ATOM 1022 CA SER 131 4.889 24.788 2.726 1.00 0.00 ATOM 1023 CB SER 131 6.018 24.410 1.769 1.00 0.00 ATOM 1024 OG SER 131 6.445 23.055 1.896 1.00 0.00 ATOM 1025 O SER 131 3.014 23.268 2.478 1.00 0.00 ATOM 1026 C SER 131 4.042 23.559 3.089 1.00 0.00 ATOM 1027 N HIS 132 4.427 22.921 4.186 1.00 0.00 ATOM 1028 CA HIS 132 3.682 21.763 4.670 1.00 0.00 ATOM 1029 CB HIS 132 4.655 20.676 5.100 1.00 0.00 ATOM 1030 CG HIS 132 5.272 19.967 3.888 1.00 0.00 ATOM 1031 CD2 HIS 132 6.554 19.965 3.528 1.00 0.00 ATOM 1032 ND1 HIS 132 4.596 19.251 2.980 1.00 0.00 ATOM 1033 CE1 HIS 132 5.466 18.821 2.077 1.00 0.00 ATOM 1034 NE2 HIS 132 6.674 19.260 2.410 1.00 0.00 ATOM 1035 O HIS 132 1.985 21.184 6.208 1.00 0.00 ATOM 1036 C HIS 132 2.583 22.107 5.674 1.00 0.00 ATOM 1037 N GLY 133 2.165 23.379 5.695 1.00 0.00 ATOM 1038 CA GLY 133 1.022 23.855 6.484 1.00 0.00 ATOM 1039 O GLY 133 0.397 24.752 8.603 1.00 0.00 ATOM 1040 C GLY 133 1.321 24.323 7.921 1.00 0.00 ATOM 1041 N GLY 134 2.580 24.236 8.344 1.00 0.00 ATOM 1042 CA GLY 134 3.034 24.708 9.676 1.00 0.00 ATOM 1043 O GLY 134 3.080 26.934 8.753 1.00 0.00 ATOM 1044 C GLY 134 3.006 26.237 9.769 1.00 0.00 ATOM 1045 N ASP 135 3.009 26.734 10.999 1.00 0.00 ATOM 1046 CA ASP 135 3.005 28.190 11.208 1.00 0.00 ATOM 1047 CB ASP 135 1.974 28.549 12.275 1.00 0.00 ATOM 1048 CG ASP 135 1.848 30.064 12.328 1.00 0.00 ATOM 1049 OD1 ASP 135 2.684 30.698 12.962 1.00 0.00 ATOM 1050 OD2 ASP 135 0.954 30.622 11.680 1.00 0.00 ATOM 1051 O ASP 135 4.704 28.259 12.810 1.00 0.00 ATOM 1052 C ASP 135 4.376 28.628 11.702 1.00 0.00 ATOM 1053 N LYS 136 5.010 29.526 10.953 1.00 0.00 ATOM 1054 CA LYS 136 6.272 30.206 11.268 1.00 0.00 ATOM 1055 CB LYS 136 6.751 31.334 10.374 1.00 0.00 ATOM 1056 CG LYS 136 5.762 31.612 9.261 1.00 0.00 ATOM 1057 CD LYS 136 5.935 33.057 8.881 1.00 0.00 ATOM 1058 CE LYS 136 4.720 33.461 8.067 1.00 0.00 ATOM 1059 NZ LYS 136 4.556 34.902 8.113 1.00 0.00 ATOM 1060 O LYS 136 6.651 30.079 13.407 1.00 0.00 ATOM 1061 C LYS 136 6.165 30.820 12.629 1.00 0.00 ATOM 1062 N LEU 137 5.176 31.653 12.926 1.00 0.00 ATOM 1063 CA LEU 137 4.974 32.277 14.250 1.00 0.00 ATOM 1064 CB LEU 137 3.720 33.123 14.165 1.00 0.00 ATOM 1065 CG LEU 137 3.342 33.788 15.479 1.00 0.00 ATOM 1066 CD1 LEU 137 4.350 34.879 15.860 1.00 0.00 ATOM 1067 CD2 LEU 137 1.905 34.240 15.280 1.00 0.00 ATOM 1068 O LEU 137 5.378 31.698 16.495 1.00 0.00 ATOM 1069 C LEU 137 4.874 31.322 15.459 1.00 0.00 ATOM 1070 N ASP 138 4.176 30.198 15.369 1.00 0.00 ATOM 1071 CA ASP 138 4.060 29.207 16.473 1.00 0.00 ATOM 1072 CB ASP 138 2.615 28.710 16.610 1.00 0.00 ATOM 1073 CG ASP 138 2.352 27.980 17.944 1.00 0.00 ATOM 1074 OD1 ASP 138 2.825 28.461 18.997 1.00 0.00 ATOM 1075 OD2 ASP 138 1.547 27.017 17.923 1.00 0.00 ATOM 1076 O ASP 138 5.024 27.081 17.114 1.00 0.00 ATOM 1077 C ASP 138 5.014 28.011 16.306 1.00 0.00 ATOM 1078 N LEU 139 5.713 28.037 15.175 1.00 0.00 ATOM 1079 CA LEU 139 6.763 27.127 14.760 1.00 0.00 ATOM 1080 CB LEU 139 7.350 27.481 13.382 1.00 0.00 ATOM 1081 CG LEU 139 8.651 26.854 12.911 1.00 0.00 ATOM 1082 CD1 LEU 139 8.431 25.362 12.829 1.00 0.00 ATOM 1083 CD2 LEU 139 9.104 27.427 11.581 1.00 0.00 ATOM 1084 O LEU 139 7.920 28.141 16.648 1.00 0.00 ATOM 1085 C LEU 139 7.851 27.241 15.789 1.00 0.00 TER END