PFRMAT TS TARGET T0352 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 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 We did not get good fold-recognition hits for T0352, and undertaker METHOD seemed incapable of finding a compact packing of the helices, so we METHOD tried using ProteinShop to create a 5-helix bundle. The bundle had METHOD bad clashes and unrealistic loops, so we used undertaker and METHOD ProteinShop alternately to try to clean up the bundle. METHOD METHOD Model 1, try11-opt2, was heavily tweaked using ProteinShop to get the METHOD 5-helix bundle, then optimized with undertaker (mixing in some METHOD gromacs and rosetta sidechain packing to get out of local METHOD minima). There are some buried charges, which is not too METHOD encouraging, though most of the hydrophobics are also buried. METHOD The buried ASP residues are also near a HIS, so there may be a METHOD metal-binding site, though we don't have time to try to create METHOD one. METHOD METHOD Model 2, try5-opt2, is an earlier attempt at a 5-helix bundle, but one METHOD in which the middle helix broke. It broke at a proline, so METHOD this is not really so bad. METHOD METHOD Model 3, try4-opt2, is the best-scoring of our models before trying to use ProteinShop. METHOD METHOD Model 4, try2-opt2.gromacs0.repack-nonPC, isthe model that Rosetta METHOD likes best of the ones it has repacked sidechains for. METHOD METHOD Model 5, try1-opt2, is the fully automatic model. METHOD REMARK 6 REMARK 6 T0352 model 4 Wed Jul 19 22:47:56 2006 MODEL 4 PARENT 1jpa_A 1zd3_A 1sz2_A 1tbm_A 1zv1_A REMARK 7 REMARK 7 ALLPARENTS 1jpa_A 1zd3_A 1sz2_A 1tbm_A 1zv1_A 1jhg_A 1zbo_A REMARK 7 ALLPARENTS 2fur_A 2c4j_A 1vj5_A 2fiy_A 2ahe_A 1ihp 1b4p_A REMARK 7 ALLPARENTS 2esn_A 1m6j_A 1ufa_A 1bd8 1w1o_A 1mzb_A ATOM 1 N MET 1 27.942 29.869 14.154 1.00 0.00 ATOM 2 CA MET 1 27.544 29.122 12.976 1.00 0.00 ATOM 3 CB MET 1 27.120 27.707 13.365 1.00 0.00 ATOM 4 CG MET 1 26.907 26.766 12.188 1.00 0.00 ATOM 5 SD MET 1 28.372 26.612 11.147 1.00 0.00 ATOM 6 CE MET 1 29.467 25.706 12.238 1.00 0.00 ATOM 7 O MET 1 25.379 30.129 12.795 1.00 0.00 ATOM 8 C MET 1 26.407 29.822 12.223 1.00 0.00 ATOM 9 N THR 2 26.553 30.031 10.918 1.00 0.00 ATOM 10 CA THR 2 25.607 30.884 10.160 1.00 0.00 ATOM 11 CB THR 2 26.340 31.757 9.125 1.00 0.00 ATOM 12 CG2 THR 2 27.340 32.674 9.813 1.00 0.00 ATOM 13 OG1 THR 2 27.031 30.919 8.190 1.00 0.00 ATOM 14 O THR 2 23.408 30.680 9.227 1.00 0.00 ATOM 15 C THR 2 24.500 30.145 9.396 1.00 0.00 ATOM 16 N THR 3 24.773 28.916 8.978 1.00 0.00 ATOM 17 CA THR 3 23.798 28.159 8.172 1.00 0.00 ATOM 18 CB THR 3 24.485 27.062 7.337 1.00 0.00 ATOM 19 CG2 THR 3 25.485 27.676 6.371 1.00 0.00 ATOM 20 OG1 THR 3 25.164 26.149 8.208 1.00 0.00 ATOM 21 O THR 3 23.089 26.865 10.058 1.00 0.00 ATOM 22 C THR 3 22.743 27.528 9.077 1.00 0.00 ATOM 23 N HIS 4 21.522 27.514 8.548 1.00 0.00 ATOM 24 CA HIS 4 20.350 26.959 9.256 1.00 0.00 ATOM 25 CB HIS 4 19.050 27.349 8.554 1.00 0.00 ATOM 26 CG HIS 4 18.755 28.838 8.702 1.00 0.00 ATOM 27 CD2 HIS 4 18.629 29.751 7.742 1.00 0.00 ATOM 28 ND1 HIS 4 18.488 29.423 9.862 1.00 0.00 ATOM 29 CE1 HIS 4 18.246 30.703 9.651 1.00 0.00 ATOM 30 NE2 HIS 4 18.308 30.888 8.345 1.00 0.00 ATOM 31 O HIS 4 20.096 24.912 10.491 1.00 0.00 ATOM 32 C HIS 4 20.417 25.436 9.424 1.00 0.00 ATOM 33 N ASP 5 20.975 24.759 8.433 1.00 0.00 ATOM 34 CA ASP 5 21.109 23.289 8.476 1.00 0.00 ATOM 35 CB ASP 5 21.616 22.757 7.133 1.00 0.00 ATOM 36 CG ASP 5 20.586 22.798 6.011 1.00 0.00 ATOM 37 OD1 ASP 5 19.431 23.005 6.299 1.00 0.00 ATOM 38 OD2 ASP 5 20.981 22.779 4.870 1.00 0.00 ATOM 39 O ASP 5 21.685 21.893 10.340 1.00 0.00 ATOM 40 C ASP 5 22.034 22.793 9.581 1.00 0.00 ATOM 41 N ARG 6 23.147 23.502 9.749 1.00 0.00 ATOM 42 CA ARG 6 24.085 23.143 10.830 1.00 0.00 ATOM 43 CB ARG 6 25.449 23.793 10.646 1.00 0.00 ATOM 44 CG ARG 6 26.275 23.233 9.500 1.00 0.00 ATOM 45 CD ARG 6 27.569 23.927 9.281 1.00 0.00 ATOM 46 NE ARG 6 28.359 23.398 8.181 1.00 0.00 ATOM 47 CZ ARG 6 29.507 23.942 7.732 1.00 0.00 ATOM 48 NH1 ARG 6 29.985 25.047 8.259 1.00 0.00 ATOM 49 NH2 ARG 6 30.131 23.346 6.730 1.00 0.00 ATOM 50 O ARG 6 23.657 22.691 13.149 1.00 0.00 ATOM 51 C ARG 6 23.502 23.460 12.210 1.00 0.00 ATOM 52 N VAL 7 22.707 24.522 12.287 1.00 0.00 ATOM 53 CA VAL 7 21.918 24.855 13.493 1.00 0.00 ATOM 54 CB VAL 7 21.071 26.075 13.184 1.00 0.00 ATOM 55 CG1 VAL 7 20.203 26.496 14.354 1.00 0.00 ATOM 56 CG2 VAL 7 21.982 27.211 12.773 1.00 0.00 ATOM 57 O VAL 7 20.840 23.292 14.987 1.00 0.00 ATOM 58 C VAL 7 20.963 23.701 13.827 1.00 0.00 ATOM 59 N ARG 8 20.279 23.233 12.795 1.00 0.00 ATOM 60 CA ARG 8 19.347 22.104 12.907 1.00 0.00 ATOM 61 CB ARG 8 18.664 21.790 11.584 1.00 0.00 ATOM 62 CG ARG 8 17.641 22.821 11.132 1.00 0.00 ATOM 63 CD ARG 8 17.021 22.532 9.814 1.00 0.00 ATOM 64 NE ARG 8 16.075 23.538 9.360 1.00 0.00 ATOM 65 CZ ARG 8 15.461 23.524 8.161 1.00 0.00 ATOM 66 NH1 ARG 8 15.717 22.582 7.279 1.00 0.00 ATOM 67 NH2 ARG 8 14.611 24.496 7.883 1.00 0.00 ATOM 68 O ARG 8 19.540 20.334 14.496 1.00 0.00 ATOM 69 C ARG 8 20.004 20.856 13.479 1.00 0.00 ATOM 70 N LEU 9 21.181 20.570 12.936 1.00 0.00 ATOM 71 CA LEU 9 22.019 19.458 13.410 1.00 0.00 ATOM 72 CB LEU 9 23.285 19.345 12.552 1.00 0.00 ATOM 73 CG LEU 9 23.057 18.859 11.115 1.00 0.00 ATOM 74 CD1 LEU 9 24.349 18.966 10.316 1.00 0.00 ATOM 75 CD2 LEU 9 22.556 17.422 11.138 1.00 0.00 ATOM 76 O LEU 9 21.975 18.835 15.721 1.00 0.00 ATOM 77 C LEU 9 22.391 19.636 14.893 1.00 0.00 ATOM 78 N GLN 10 22.777 20.854 15.236 1.00 0.00 ATOM 79 CA GLN 10 23.205 21.137 16.617 1.00 0.00 ATOM 80 CB GLN 10 23.688 22.585 16.742 1.00 0.00 ATOM 81 CG GLN 10 25.090 22.822 16.205 1.00 0.00 ATOM 82 CD GLN 10 25.524 24.268 16.341 1.00 0.00 ATOM 83 OE1 GLN 10 25.809 24.744 17.444 1.00 0.00 ATOM 84 NE2 GLN 10 25.574 24.978 15.221 1.00 0.00 ATOM 85 O GLN 10 22.274 20.155 18.601 1.00 0.00 ATOM 86 C GLN 10 22.080 20.890 17.633 1.00 0.00 ATOM 87 N LEU 11 20.874 21.347 17.300 1.00 0.00 ATOM 88 CA LEU 11 19.696 21.105 18.156 1.00 0.00 ATOM 89 CB LEU 11 18.517 21.894 17.623 1.00 0.00 ATOM 90 CG LEU 11 17.313 21.820 18.555 1.00 0.00 ATOM 91 CD1 LEU 11 17.645 22.371 19.934 1.00 0.00 ATOM 92 CD2 LEU 11 16.254 22.658 17.886 1.00 0.00 ATOM 93 O LEU 11 18.947 19.151 19.335 1.00 0.00 ATOM 94 C LEU 11 19.319 19.624 18.260 1.00 0.00 ATOM 95 N GLN 12 19.413 18.926 17.131 1.00 0.00 ATOM 96 CA GLN 12 19.157 17.478 17.092 1.00 0.00 ATOM 97 CB GLN 12 19.218 16.962 15.652 1.00 0.00 ATOM 98 CG GLN 12 18.060 17.413 14.778 1.00 0.00 ATOM 99 CD GLN 12 18.224 16.984 13.333 1.00 0.00 ATOM 100 OE1 GLN 12 19.253 16.421 12.951 1.00 0.00 ATOM 101 NE2 GLN 12 17.210 17.253 12.518 1.00 0.00 ATOM 102 O GLN 12 19.810 15.959 18.844 1.00 0.00 ATOM 103 C GLN 12 20.171 16.711 17.964 1.00 0.00 ATOM 104 N ALA 13 21.449 17.050 17.862 1.00 0.00 ATOM 105 CA ALA 13 22.448 16.389 18.721 1.00 0.00 ATOM 106 CB ALA 13 23.848 16.897 18.413 1.00 0.00 ATOM 107 O ALA 13 22.185 15.692 21.027 1.00 0.00 ATOM 108 C ALA 13 22.168 16.619 20.218 1.00 0.00 ATOM 109 N LEU 14 21.776 17.859 20.528 1.00 0.00 ATOM 110 CA LEU 14 21.470 18.247 21.910 1.00 0.00 ATOM 111 CB LEU 14 21.281 19.766 22.006 1.00 0.00 ATOM 112 CG LEU 14 22.569 20.572 22.221 1.00 0.00 ATOM 113 CD1 LEU 14 23.780 19.730 21.844 1.00 0.00 ATOM 114 CD2 LEU 14 22.518 21.845 21.390 1.00 0.00 ATOM 115 O LEU 14 20.236 17.002 23.551 1.00 0.00 ATOM 116 C LEU 14 20.225 17.528 22.438 1.00 0.00 ATOM 117 N GLU 15 19.190 17.412 21.596 1.00 0.00 ATOM 118 CA GLU 15 17.961 16.704 21.989 1.00 0.00 ATOM 119 CB GLU 15 16.910 16.800 20.881 1.00 0.00 ATOM 120 CG GLU 15 15.579 16.145 21.219 1.00 0.00 ATOM 121 CD GLU 15 14.584 16.324 20.106 1.00 0.00 ATOM 122 OE1 GLU 15 14.921 16.946 19.128 1.00 0.00 ATOM 123 OE2 GLU 15 13.525 15.746 20.184 1.00 0.00 ATOM 124 O GLU 15 17.769 14.726 23.346 1.00 0.00 ATOM 125 C GLU 15 18.242 15.227 22.320 1.00 0.00 ATOM 126 N ALA 16 19.066 14.607 21.488 1.00 0.00 ATOM 127 CA ALA 16 19.439 13.187 21.648 1.00 0.00 ATOM 128 CB ALA 16 20.326 12.781 20.476 1.00 0.00 ATOM 129 O ALA 16 19.720 12.093 23.748 1.00 0.00 ATOM 130 C ALA 16 20.172 12.903 22.946 1.00 0.00 ATOM 131 N LEU 17 21.159 13.750 23.187 1.00 0.00 ATOM 132 CA LEU 17 21.973 13.629 24.401 1.00 0.00 ATOM 133 CB LEU 17 23.177 14.577 24.328 1.00 0.00 ATOM 134 CG LEU 17 24.241 14.203 23.289 1.00 0.00 ATOM 135 CD1 LEU 17 25.284 15.308 23.187 1.00 0.00 ATOM 136 CD2 LEU 17 24.891 12.883 23.679 1.00 0.00 ATOM 137 O LEU 17 21.262 13.188 26.661 1.00 0.00 ATOM 138 C LEU 17 21.171 13.911 25.662 1.00 0.00 ATOM 139 N LEU 18 20.318 14.925 25.586 1.00 0.00 ATOM 140 CA LEU 18 19.426 15.284 26.706 1.00 0.00 ATOM 141 CB LEU 18 18.638 16.557 26.369 1.00 0.00 ATOM 142 CG LEU 18 19.470 17.845 26.321 1.00 0.00 ATOM 143 CD1 LEU 18 18.622 18.995 25.797 1.00 0.00 ATOM 144 CD2 LEU 18 20.002 18.158 27.711 1.00 0.00 ATOM 145 O LEU 18 18.337 13.779 28.211 1.00 0.00 ATOM 146 C LEU 18 18.473 14.154 27.042 1.00 0.00 ATOM 147 N ARG 19 17.857 13.575 26.014 1.00 0.00 ATOM 148 CA ARG 19 16.929 12.447 26.180 1.00 0.00 ATOM 149 CB ARG 19 16.213 12.096 24.883 1.00 0.00 ATOM 150 CG ARG 19 15.203 13.129 24.412 1.00 0.00 ATOM 151 CD ARG 19 14.487 12.761 23.162 1.00 0.00 ATOM 152 NE ARG 19 13.571 13.776 22.671 1.00 0.00 ATOM 153 CZ ARG 19 12.317 13.960 23.127 1.00 0.00 ATOM 154 NH1 ARG 19 11.812 13.179 24.057 1.00 0.00 ATOM 155 NH2 ARG 19 11.596 14.934 22.599 1.00 0.00 ATOM 156 O ARG 19 17.121 10.607 27.699 1.00 0.00 ATOM 157 C ARG 19 17.641 11.222 26.777 1.00 0.00 ATOM 158 N GLU 20 18.901 11.070 26.385 1.00 0.00 ATOM 159 CA GLU 20 19.761 9.995 26.906 1.00 0.00 ATOM 160 CB GLU 20 21.100 9.974 26.166 1.00 0.00 ATOM 161 CG GLU 20 22.031 8.844 26.583 1.00 0.00 ATOM 162 CD GLU 20 23.290 8.841 25.761 1.00 0.00 ATOM 163 OE1 GLU 20 23.412 9.673 24.894 1.00 0.00 ATOM 164 OE2 GLU 20 24.176 8.081 26.070 1.00 0.00 ATOM 165 O GLU 20 20.031 9.101 29.111 1.00 0.00 ATOM 166 C GLU 20 20.022 10.113 28.410 1.00 0.00 ATOM 167 N HIS 21 20.117 11.349 28.901 1.00 0.00 ATOM 168 CA HIS 21 20.451 11.624 30.303 1.00 0.00 ATOM 169 CB HIS 21 21.714 12.486 30.400 1.00 0.00 ATOM 170 CG HIS 21 22.935 11.831 29.833 1.00 0.00 ATOM 171 CD2 HIS 21 23.621 12.063 28.689 1.00 0.00 ATOM 172 ND1 HIS 21 23.588 10.797 30.470 1.00 0.00 ATOM 173 CE1 HIS 21 24.625 10.420 29.742 1.00 0.00 ATOM 174 NE2 HIS 21 24.666 11.172 28.657 1.00 0.00 ATOM 175 O HIS 21 19.601 12.821 32.201 1.00 0.00 ATOM 176 C HIS 21 19.340 12.317 31.105 1.00 0.00 ATOM 177 N GLN 22 18.116 12.295 30.581 1.00 0.00 ATOM 178 CA GLN 22 16.943 12.931 31.234 1.00 0.00 ATOM 179 CB GLN 22 16.575 12.184 32.519 1.00 0.00 ATOM 180 CG GLN 22 16.116 10.754 32.298 1.00 0.00 ATOM 181 CD GLN 22 14.783 10.679 31.577 1.00 0.00 ATOM 182 OE1 GLN 22 13.822 11.358 31.949 1.00 0.00 ATOM 183 NE2 GLN 22 14.716 9.850 30.543 1.00 0.00 ATOM 184 O GLN 22 16.808 14.905 32.619 1.00 0.00 ATOM 185 C GLN 22 17.189 14.406 31.565 1.00 0.00 ATOM 186 N HIS 23 17.781 15.109 30.595 1.00 0.00 ATOM 187 CA HIS 23 18.108 16.527 30.782 1.00 0.00 ATOM 188 CB HIS 23 19.598 16.795 30.527 1.00 0.00 ATOM 189 CG HIS 23 20.657 16.176 31.426 1.00 0.00 ATOM 190 CD2 HIS 23 20.503 15.599 32.605 1.00 0.00 ATOM 191 ND1 HIS 23 21.946 16.164 31.105 1.00 0.00 ATOM 192 CE1 HIS 23 22.591 15.566 32.093 1.00 0.00 ATOM 193 NE2 HIS 23 21.705 15.204 33.013 1.00 0.00 ATOM 194 O HIS 23 17.604 18.376 29.274 1.00 0.00 ATOM 195 C HIS 23 17.204 17.446 29.952 1.00 0.00 ATOM 196 N TRP 24 15.929 17.130 29.933 1.00 0.00 ATOM 197 CA TRP 24 14.929 17.876 29.151 1.00 0.00 ATOM 198 CB TRP 24 14.199 16.893 28.246 1.00 0.00 ATOM 199 CG TRP 24 13.169 17.523 27.296 1.00 0.00 ATOM 200 CD1 TRP 24 13.163 18.763 26.822 1.00 0.00 ATOM 201 CD2 TRP 24 11.997 16.913 26.887 1.00 0.00 ATOM 202 CE2 TRP 24 11.312 17.862 26.142 1.00 0.00 ATOM 203 CE3 TRP 24 11.453 15.645 27.059 1.00 0.00 ATOM 204 NE1 TRP 24 12.040 18.977 26.137 1.00 0.00 ATOM 205 CZ2 TRP 24 10.099 17.556 25.560 1.00 0.00 ATOM 206 CZ3 TRP 24 10.236 15.330 26.481 1.00 0.00 ATOM 207 CH2 TRP 24 9.576 16.287 25.724 1.00 0.00 ATOM 208 O TRP 24 13.622 17.934 31.144 1.00 0.00 ATOM 209 C TRP 24 13.885 18.475 30.087 1.00 0.00 ATOM 210 N ARG 25 13.189 19.474 29.582 1.00 0.00 ATOM 211 CA ARG 25 11.942 19.895 30.241 1.00 0.00 ATOM 212 CB ARG 25 11.389 21.185 29.655 1.00 0.00 ATOM 213 CG ARG 25 11.916 22.458 30.299 1.00 0.00 ATOM 214 CD ARG 25 13.348 22.735 30.022 1.00 0.00 ATOM 215 NE ARG 25 13.806 24.042 30.467 1.00 0.00 ATOM 216 CZ ARG 25 15.059 24.511 30.303 1.00 0.00 ATOM 217 NH1 ARG 25 15.990 23.772 29.743 1.00 0.00 ATOM 218 NH2 ARG 25 15.333 25.727 30.744 1.00 0.00 ATOM 219 O ARG 25 10.806 17.975 29.282 1.00 0.00 ATOM 220 C ARG 25 10.888 18.764 30.216 1.00 0.00 ATOM 221 N ASN 26 10.112 18.721 31.299 1.00 0.00 ATOM 222 CA ASN 26 9.054 17.716 31.555 1.00 0.00 ATOM 223 CB ASN 26 9.165 17.139 32.954 1.00 0.00 ATOM 224 CG ASN 26 10.389 16.289 33.163 1.00 0.00 ATOM 225 ND2 ASN 26 10.769 16.145 34.408 1.00 0.00 ATOM 226 OD1 ASN 26 10.937 15.712 32.218 1.00 0.00 ATOM 227 O ASN 26 7.017 17.768 30.385 1.00 0.00 ATOM 228 C ASN 26 7.606 18.195 31.369 1.00 0.00 ATOM 229 N ASP 27 6.993 18.978 32.285 1.00 0.00 ATOM 230 CA ASP 27 5.575 19.474 32.261 1.00 0.00 ATOM 231 CB ASP 27 5.374 20.503 33.387 1.00 0.00 ATOM 232 CG ASP 27 5.252 19.855 34.742 1.00 0.00 ATOM 233 OD1 ASP 27 5.095 18.617 34.756 1.00 0.00 ATOM 234 OD2 ASP 27 5.328 20.604 35.735 1.00 0.00 ATOM 235 O ASP 27 6.147 21.170 30.931 1.00 0.00 ATOM 236 C ASP 27 5.298 20.319 31.027 1.00 0.00 ATOM 237 N GLU 28 4.078 20.577 30.542 1.00 0.00 ATOM 238 CA GLU 28 3.865 21.450 29.350 1.00 0.00 ATOM 239 CB GLU 28 2.363 21.630 29.117 1.00 0.00 ATOM 240 CG GLU 28 1.969 22.514 27.933 1.00 0.00 ATOM 241 CD GLU 28 0.448 22.655 27.799 1.00 0.00 ATOM 242 OE1 GLU 28 -0.309 22.124 28.632 1.00 0.00 ATOM 243 OE2 GLU 28 0.044 23.189 26.745 1.00 0.00 ATOM 244 O GLU 28 5.170 23.250 28.399 1.00 0.00 ATOM 245 C GLU 28 4.527 22.864 29.388 1.00 0.00 ATOM 246 N PRO 29 4.431 23.605 30.506 1.00 0.00 ATOM 247 CA PRO 29 5.095 24.917 30.630 1.00 0.00 ATOM 248 CB PRO 29 4.752 25.393 32.037 1.00 0.00 ATOM 249 CG PRO 29 3.423 24.720 32.339 1.00 0.00 ATOM 250 CD PRO 29 3.617 23.352 31.713 1.00 0.00 ATOM 251 O PRO 29 7.245 25.618 29.817 1.00 0.00 ATOM 252 C PRO 29 6.612 24.769 30.427 1.00 0.00 ATOM 253 N GLN 30 7.172 23.644 30.871 1.00 0.00 ATOM 254 CA GLN 30 8.581 23.311 30.658 1.00 0.00 ATOM 255 CB GLN 30 8.970 22.154 31.572 1.00 0.00 ATOM 256 CG GLN 30 8.824 22.456 33.067 1.00 0.00 ATOM 257 CD GLN 30 9.109 21.193 33.866 1.00 0.00 ATOM 258 OE1 GLN 30 9.260 20.105 33.359 1.00 0.00 ATOM 259 NE2 GLN 30 9.177 21.326 35.157 1.00 0.00 ATOM 260 O GLN 30 9.817 23.795 28.707 1.00 0.00 ATOM 261 C GLN 30 8.957 23.057 29.171 1.00 0.00 ATOM 262 N PRO 31 8.387 22.074 28.410 1.00 0.00 ATOM 263 CA PRO 31 8.608 21.803 26.996 1.00 0.00 ATOM 264 CB PRO 31 7.593 20.725 26.575 1.00 0.00 ATOM 265 CG PRO 31 7.516 19.849 27.796 1.00 0.00 ATOM 266 CD PRO 31 7.568 20.957 28.819 1.00 0.00 ATOM 267 O PRO 31 9.223 23.388 25.453 1.00 0.00 ATOM 268 C PRO 31 8.328 23.053 26.199 1.00 0.00 ATOM 269 N HIS 32 7.288 23.825 26.538 1.00 0.00 ATOM 270 CA HIS 32 7.040 25.079 25.805 1.00 0.00 ATOM 271 CB HIS 32 5.749 25.745 26.292 1.00 0.00 ATOM 272 CG HIS 32 5.442 27.037 25.601 1.00 0.00 ATOM 273 CD2 HIS 32 5.510 28.319 26.034 1.00 0.00 ATOM 274 ND1 HIS 32 5.001 27.097 24.296 1.00 0.00 ATOM 275 CE1 HIS 32 4.812 28.360 23.955 1.00 0.00 ATOM 276 NE2 HIS 32 5.115 29.120 24.991 1.00 0.00 ATOM 277 O HIS 32 8.721 26.581 24.944 1.00 0.00 ATOM 278 C HIS 32 8.204 26.060 25.939 1.00 0.00 ATOM 279 N GLN 33 8.691 26.170 27.163 1.00 0.00 ATOM 280 CA GLN 33 9.849 27.031 27.437 1.00 0.00 ATOM 281 CB GLN 33 10.075 27.162 28.946 1.00 0.00 ATOM 282 CG GLN 33 11.220 28.084 29.326 1.00 0.00 ATOM 283 CD GLN 33 11.372 28.228 30.829 1.00 0.00 ATOM 284 OE1 GLN 33 10.654 27.591 31.603 1.00 0.00 ATOM 285 NE2 GLN 33 12.307 29.073 31.249 1.00 0.00 ATOM 286 O GLN 33 11.904 27.258 26.228 1.00 0.00 ATOM 287 C GLN 33 11.122 26.507 26.785 1.00 0.00 ATOM 288 N PHE 34 11.304 25.200 26.838 1.00 0.00 ATOM 289 CA PHE 34 12.457 24.560 26.207 1.00 0.00 ATOM 290 CB PHE 34 12.495 23.102 26.606 1.00 0.00 ATOM 291 CG PHE 34 13.711 22.354 26.079 1.00 0.00 ATOM 292 CD1 PHE 34 14.916 22.345 26.769 1.00 0.00 ATOM 293 CD2 PHE 34 13.549 21.620 24.916 1.00 0.00 ATOM 294 CE1 PHE 34 15.960 21.594 26.229 1.00 0.00 ATOM 295 CE2 PHE 34 14.585 20.856 24.418 1.00 0.00 ATOM 296 CZ PHE 34 15.798 20.854 25.079 1.00 0.00 ATOM 297 O PHE 34 13.359 25.100 24.048 1.00 0.00 ATOM 298 C PHE 34 12.387 24.684 24.682 1.00 0.00 ATOM 299 N ASN 35 11.184 24.494 24.152 1.00 0.00 ATOM 300 CA ASN 35 10.928 24.655 22.734 1.00 0.00 ATOM 301 CB ASN 35 9.509 24.252 22.377 1.00 0.00 ATOM 302 CG ASN 35 9.275 22.768 22.411 1.00 0.00 ATOM 303 ND2 ASN 35 8.021 22.394 22.436 1.00 0.00 ATOM 304 OD1 ASN 35 10.216 21.969 22.339 1.00 0.00 ATOM 305 O ASN 35 11.717 26.183 21.254 1.00 0.00 ATOM 306 C ASN 35 11.199 26.064 22.314 1.00 0.00 ATOM 307 N SER 36 10.875 27.099 23.072 1.00 0.00 ATOM 308 CA SER 36 11.250 28.467 22.685 1.00 0.00 ATOM 309 CB SER 36 10.563 29.473 23.589 1.00 0.00 ATOM 310 OG SER 36 9.171 29.465 23.421 1.00 0.00 ATOM 311 O SER 36 13.334 29.267 21.771 1.00 0.00 ATOM 312 C SER 36 12.774 28.716 22.715 1.00 0.00 ATOM 313 N THR 37 13.429 28.146 23.724 1.00 0.00 ATOM 314 CA THR 37 14.903 28.253 23.908 1.00 0.00 ATOM 315 CB THR 37 15.396 27.577 25.190 1.00 0.00 ATOM 316 CG2 THR 37 16.914 27.632 25.382 1.00 0.00 ATOM 317 OG1 THR 37 14.795 28.217 26.313 1.00 0.00 ATOM 318 O THR 37 16.653 28.149 22.286 1.00 0.00 ATOM 319 C THR 37 15.635 27.616 22.737 1.00 0.00 ATOM 320 N GLN 38 15.142 26.475 22.283 1.00 0.00 ATOM 321 CA GLN 38 15.767 25.780 21.143 1.00 0.00 ATOM 322 CB GLN 38 14.959 24.536 20.765 1.00 0.00 ATOM 323 CG GLN 38 15.038 23.410 21.782 1.00 0.00 ATOM 324 CD GLN 38 14.165 22.228 21.406 1.00 0.00 ATOM 325 OE1 GLN 38 14.488 21.465 20.492 1.00 0.00 ATOM 326 NE2 GLN 38 13.049 22.072 22.108 1.00 0.00 ATOM 327 O GLN 38 16.980 27.111 19.588 1.00 0.00 ATOM 328 C GLN 38 15.862 26.759 19.952 1.00 0.00 ATOM 329 N PRO 39 14.753 27.396 19.511 1.00 0.00 ATOM 330 CA PRO 39 14.720 28.468 18.520 1.00 0.00 ATOM 331 CB PRO 39 13.262 28.884 18.345 1.00 0.00 ATOM 332 CG PRO 39 12.567 27.553 18.400 1.00 0.00 ATOM 333 CD PRO 39 13.425 26.849 19.436 1.00 0.00 ATOM 334 O PRO 39 16.218 30.165 17.921 1.00 0.00 ATOM 335 C PRO 39 15.527 29.696 18.820 1.00 0.00 ATOM 336 N PHE 40 15.389 30.163 20.048 1.00 0.00 ATOM 337 CA PHE 40 16.081 31.387 20.457 1.00 0.00 ATOM 338 CB PHE 40 15.546 31.879 21.803 1.00 0.00 ATOM 339 CG PHE 40 14.345 32.774 21.687 1.00 0.00 ATOM 340 CD1 PHE 40 13.140 32.423 22.277 1.00 0.00 ATOM 341 CD2 PHE 40 14.417 33.969 20.986 1.00 0.00 ATOM 342 CE1 PHE 40 12.035 33.246 22.170 1.00 0.00 ATOM 343 CE2 PHE 40 13.315 34.794 20.878 1.00 0.00 ATOM 344 CZ PHE 40 12.122 34.431 21.471 1.00 0.00 ATOM 345 O PHE 40 18.326 32.005 20.024 1.00 0.00 ATOM 346 C PHE 40 17.597 31.178 20.546 1.00 0.00 ATOM 347 N PHE 41 18.060 30.034 21.061 1.00 0.00 ATOM 348 CA PHE 41 19.505 29.709 21.045 1.00 0.00 ATOM 349 CB PHE 41 19.765 28.389 21.773 1.00 0.00 ATOM 350 CG PHE 41 21.157 27.858 21.586 1.00 0.00 ATOM 351 CD1 PHE 41 22.248 28.532 22.113 1.00 0.00 ATOM 352 CD2 PHE 41 21.379 26.684 20.883 1.00 0.00 ATOM 353 CE1 PHE 41 23.530 28.044 21.943 1.00 0.00 ATOM 354 CE2 PHE 41 22.658 26.193 20.710 1.00 0.00 ATOM 355 CZ PHE 41 23.736 26.875 21.242 1.00 0.00 ATOM 356 O PHE 41 21.048 30.103 19.232 1.00 0.00 ATOM 357 C PHE 41 19.968 29.651 19.597 1.00 0.00 ATOM 358 N MET 42 19.158 28.943 18.817 1.00 0.00 ATOM 359 CA MET 42 19.469 28.765 17.405 1.00 0.00 ATOM 360 CB MET 42 18.387 27.930 16.760 1.00 0.00 ATOM 361 CG MET 42 18.519 26.477 17.229 1.00 0.00 ATOM 362 SD MET 42 17.530 25.392 16.153 1.00 0.00 ATOM 363 CE MET 42 15.864 25.783 16.599 1.00 0.00 ATOM 364 O MET 42 20.502 30.252 15.862 1.00 0.00 ATOM 365 C MET 42 19.609 30.110 16.687 1.00 0.00 ATOM 366 N ASP 43 18.735 31.037 17.054 1.00 0.00 ATOM 367 CA ASP 43 18.803 32.416 16.562 1.00 0.00 ATOM 368 CB ASP 43 17.441 32.862 16.026 1.00 0.00 ATOM 369 CG ASP 43 17.030 32.197 14.719 1.00 0.00 ATOM 370 OD1 ASP 43 17.827 32.172 13.811 1.00 0.00 ATOM 371 OD2 ASP 43 15.989 31.584 14.691 1.00 0.00 ATOM 372 O ASP 43 18.491 34.030 18.348 1.00 0.00 ATOM 373 C ASP 43 19.269 33.429 17.610 1.00 0.00 ATOM 374 N THR 44 20.580 33.615 17.640 1.00 0.00 ATOM 375 CA THR 44 21.163 34.648 18.517 1.00 0.00 ATOM 376 CB THR 44 22.701 34.567 18.540 1.00 0.00 ATOM 377 CG2 THR 44 23.254 34.521 17.123 1.00 0.00 ATOM 378 OG1 THR 44 23.233 35.710 19.220 1.00 0.00 ATOM 379 O THR 44 20.613 36.233 16.869 1.00 0.00 ATOM 380 C THR 44 20.736 36.032 18.063 1.00 0.00 ATOM 381 N MET 45 20.606 36.959 19.016 1.00 0.00 ATOM 382 CA MET 45 20.196 38.335 18.682 1.00 0.00 ATOM 383 CB MET 45 18.906 38.694 19.417 1.00 0.00 ATOM 384 CG MET 45 18.359 40.077 19.090 1.00 0.00 ATOM 385 SD MET 45 17.017 40.571 20.188 1.00 0.00 ATOM 386 CE MET 45 17.914 40.864 21.710 1.00 0.00 ATOM 387 O MET 45 21.112 40.572 18.502 1.00 0.00 ATOM 388 C MET 45 21.230 39.442 18.984 1.00 0.00 ATOM 389 N GLU 46 22.208 39.105 19.826 1.00 0.00 ATOM 390 CA GLU 46 23.289 40.051 20.156 1.00 0.00 ATOM 391 CB GLU 46 23.081 40.593 21.574 1.00 0.00 ATOM 392 CG GLU 46 21.769 41.307 21.824 1.00 0.00 ATOM 393 CD GLU 46 21.647 41.778 23.271 1.00 0.00 ATOM 394 OE1 GLU 46 22.598 41.639 24.078 1.00 0.00 ATOM 395 OE2 GLU 46 20.570 42.330 23.544 1.00 0.00 ATOM 396 O GLU 46 24.888 38.253 19.925 1.00 0.00 ATOM 397 C GLU 46 24.707 39.466 20.024 1.00 0.00 ATOM 398 N PRO 47 25.740 40.314 20.086 1.00 0.00 ATOM 399 CA PRO 47 27.139 39.854 19.971 1.00 0.00 ATOM 400 CB PRO 47 27.990 41.104 20.086 1.00 0.00 ATOM 401 CG PRO 47 27.059 42.284 19.815 1.00 0.00 ATOM 402 CD PRO 47 25.675 41.786 20.158 1.00 0.00 ATOM 403 O PRO 47 28.208 37.864 20.736 1.00 0.00 ATOM 404 C PRO 47 27.524 38.838 21.049 1.00 0.00 ATOM 405 N LEU 48 27.064 39.067 22.287 1.00 0.00 ATOM 406 CA LEU 48 27.235 38.083 23.383 1.00 0.00 ATOM 407 CB LEU 48 26.574 38.599 24.668 1.00 0.00 ATOM 408 CG LEU 48 27.277 39.791 25.330 1.00 0.00 ATOM 409 CD1 LEU 48 26.432 40.322 26.480 1.00 0.00 ATOM 410 CD2 LEU 48 28.650 39.362 25.823 1.00 0.00 ATOM 411 O LEU 48 27.367 35.686 23.189 1.00 0.00 ATOM 412 C LEU 48 26.674 36.697 23.054 1.00 0.00 ATOM 413 N GLU 49 25.489 36.690 22.473 1.00 0.00 ATOM 414 CA GLU 49 24.750 35.493 22.054 1.00 0.00 ATOM 415 CB GLU 49 23.312 35.856 21.677 1.00 0.00 ATOM 416 CG GLU 49 22.428 36.233 22.858 1.00 0.00 ATOM 417 CD GLU 49 21.034 36.572 22.410 1.00 0.00 ATOM 418 OE1 GLU 49 20.428 35.762 21.751 1.00 0.00 ATOM 419 OE2 GLU 49 20.532 37.592 22.819 1.00 0.00 ATOM 420 O GLU 49 25.588 33.596 20.866 1.00 0.00 ATOM 421 C GLU 49 25.448 34.814 20.888 1.00 0.00 ATOM 422 N TRP 50 25.944 35.634 19.973 1.00 0.00 ATOM 423 CA TRP 50 26.652 35.130 18.785 1.00 0.00 ATOM 424 CB TRP 50 26.930 36.272 17.806 1.00 0.00 ATOM 425 CG TRP 50 27.642 35.834 16.562 1.00 0.00 ATOM 426 CD1 TRP 50 27.072 35.329 15.432 1.00 0.00 ATOM 427 CD2 TRP 50 29.055 35.863 16.322 1.00 0.00 ATOM 428 CE2 TRP 50 29.268 35.361 15.026 1.00 0.00 ATOM 429 CE3 TRP 50 30.161 36.268 17.079 1.00 0.00 ATOM 430 NE1 TRP 50 28.040 35.039 14.503 1.00 0.00 ATOM 431 CZ2 TRP 50 30.533 35.249 14.472 1.00 0.00 ATOM 432 CZ3 TRP 50 31.428 36.157 16.523 1.00 0.00 ATOM 433 CH2 TRP 50 31.609 35.663 15.256 1.00 0.00 ATOM 434 O TRP 50 28.282 33.379 18.652 1.00 0.00 ATOM 435 C TRP 50 27.965 34.439 19.174 1.00 0.00 ATOM 436 N LEU 51 28.662 35.047 20.135 1.00 0.00 ATOM 437 CA LEU 51 29.855 34.442 20.767 1.00 0.00 ATOM 438 CB LEU 51 30.433 35.390 21.825 1.00 0.00 ATOM 439 CG LEU 51 31.095 36.660 21.272 1.00 0.00 ATOM 440 CD1 LEU 51 31.458 37.599 22.415 1.00 0.00 ATOM 441 CD2 LEU 51 32.332 36.280 20.473 1.00 0.00 ATOM 442 O LEU 51 30.221 32.094 21.100 1.00 0.00 ATOM 443 C LEU 51 29.553 33.080 21.403 1.00 0.00 ATOM 444 N GLN 52 28.452 33.010 22.141 1.00 0.00 ATOM 445 CA GLN 52 27.985 31.735 22.735 1.00 0.00 ATOM 446 CB GLN 52 26.785 31.978 23.654 1.00 0.00 ATOM 447 CG GLN 52 27.125 32.710 24.941 1.00 0.00 ATOM 448 CD GLN 52 25.894 33.030 25.767 1.00 0.00 ATOM 449 OE1 GLN 52 24.762 32.789 25.339 1.00 0.00 ATOM 450 NE2 GLN 52 26.108 33.579 26.958 1.00 0.00 ATOM 451 O GLN 52 28.080 29.603 21.652 1.00 0.00 ATOM 452 C GLN 52 27.609 30.728 21.656 1.00 0.00 ATOM 453 N TRP 53 26.964 31.267 20.618 1.00 0.00 ATOM 454 CA TRP 53 26.567 30.550 19.430 1.00 0.00 ATOM 455 CB TRP 53 25.842 31.499 18.500 1.00 0.00 ATOM 456 CG TRP 53 25.188 30.944 17.243 1.00 0.00 ATOM 457 CD1 TRP 53 25.252 31.598 16.093 1.00 0.00 ATOM 458 CD2 TRP 53 24.459 29.776 17.015 1.00 0.00 ATOM 459 CE2 TRP 53 24.157 29.817 15.676 1.00 0.00 ATOM 460 CE3 TRP 53 24.023 28.690 17.755 1.00 0.00 ATOM 461 NE1 TRP 53 24.670 30.913 15.148 1.00 0.00 ATOM 462 CZ2 TRP 53 23.441 28.798 15.103 1.00 0.00 ATOM 463 CZ3 TRP 53 23.303 27.663 17.186 1.00 0.00 ATOM 464 CH2 TRP 53 23.017 27.710 15.850 1.00 0.00 ATOM 465 O TRP 53 27.562 28.762 18.581 1.00 0.00 ATOM 466 C TRP 53 27.780 29.927 18.766 1.00 0.00 ATOM 467 N VAL 54 28.895 30.631 18.482 1.00 0.00 ATOM 468 CA VAL 54 30.195 30.130 17.925 1.00 0.00 ATOM 469 CB VAL 54 31.145 31.291 17.577 1.00 0.00 ATOM 470 CG1 VAL 54 32.520 30.758 17.199 1.00 0.00 ATOM 471 CG2 VAL 54 30.571 32.128 16.445 1.00 0.00 ATOM 472 O VAL 54 31.651 28.253 18.359 1.00 0.00 ATOM 473 C VAL 54 30.982 29.172 18.841 1.00 0.00 ATOM 474 N LEU 55 30.997 29.460 20.133 1.00 0.00 ATOM 475 CA LEU 55 31.669 28.582 21.111 1.00 0.00 ATOM 476 CB LEU 55 31.608 29.204 22.512 1.00 0.00 ATOM 477 CG LEU 55 32.458 30.466 22.704 1.00 0.00 ATOM 478 CD1 LEU 55 32.174 31.085 24.065 1.00 0.00 ATOM 479 CD2 LEU 55 33.931 30.113 22.568 1.00 0.00 ATOM 480 O LEU 55 31.777 26.166 21.126 1.00 0.00 ATOM 481 C LEU 55 31.068 27.176 21.145 1.00 0.00 ATOM 482 N ILE 56 29.754 27.135 21.018 1.00 0.00 ATOM 483 CA ILE 56 29.022 25.859 20.958 1.00 0.00 ATOM 484 CB ILE 56 27.499 26.081 20.960 1.00 0.00 ATOM 485 CG1 ILE 56 27.075 26.866 22.204 1.00 0.00 ATOM 486 CG2 ILE 56 26.767 24.749 20.893 1.00 0.00 ATOM 487 CD1 ILE 56 27.175 26.075 23.489 1.00 0.00 ATOM 488 O ILE 56 29.397 23.760 19.923 1.00 0.00 ATOM 489 C ILE 56 29.335 24.965 19.744 1.00 0.00 ATOM 490 N PRO 57 29.436 25.477 18.506 1.00 0.00 ATOM 491 CA PRO 57 29.718 24.773 17.261 1.00 0.00 ATOM 492 CB PRO 57 29.929 25.865 16.211 1.00 0.00 ATOM 493 CG PRO 57 28.943 26.918 16.637 1.00 0.00 ATOM 494 CD PRO 57 29.206 26.838 18.130 1.00 0.00 ATOM 495 O PRO 57 30.900 22.757 17.337 1.00 0.00 ATOM 496 C PRO 57 30.980 23.968 17.444 1.00 0.00 ATOM 497 N ARG 58 32.037 24.589 17.970 1.00 0.00 ATOM 498 CA ARG 58 33.272 23.829 18.221 1.00 0.00 ATOM 499 CB ARG 58 34.436 24.733 18.599 1.00 0.00 ATOM 500 CG ARG 58 34.979 25.586 17.464 1.00 0.00 ATOM 501 CD ARG 58 36.074 26.508 17.859 1.00 0.00 ATOM 502 NE ARG 58 36.577 27.345 16.782 1.00 0.00 ATOM 503 CZ ARG 58 37.523 28.293 16.927 1.00 0.00 ATOM 504 NH1 ARG 58 38.044 28.554 18.105 1.00 0.00 ATOM 505 NH2 ARG 58 37.896 28.970 15.855 1.00 0.00 ATOM 506 O ARG 58 33.556 21.611 19.141 1.00 0.00 ATOM 507 C ARG 58 33.057 22.728 19.274 1.00 0.00 ATOM 508 N MET 59 32.364 23.108 20.344 1.00 0.00 ATOM 509 CA MET 59 32.078 22.170 21.450 1.00 0.00 ATOM 510 CB MET 59 31.355 22.895 22.584 1.00 0.00 ATOM 511 CG MET 59 32.215 23.900 23.337 1.00 0.00 ATOM 512 SD MET 59 33.638 23.134 24.138 1.00 0.00 ATOM 513 CE MET 59 32.832 22.175 25.416 1.00 0.00 ATOM 514 O MET 59 31.568 19.844 21.441 1.00 0.00 ATOM 515 C MET 59 31.246 20.955 21.032 1.00 0.00 ATOM 516 N HIS 60 30.261 21.203 20.174 1.00 0.00 ATOM 517 CA HIS 60 29.404 20.136 19.622 1.00 0.00 ATOM 518 CB HIS 60 28.318 20.729 18.719 1.00 0.00 ATOM 519 CG HIS 60 27.719 19.688 17.762 1.00 0.00 ATOM 520 CD2 HIS 60 26.656 18.927 17.926 1.00 0.00 ATOM 521 ND1 HIS 60 28.277 19.384 16.605 1.00 0.00 ATOM 522 CE1 HIS 60 27.575 18.409 16.036 1.00 0.00 ATOM 523 NE2 HIS 60 26.550 18.148 16.842 1.00 0.00 ATOM 524 O HIS 60 30.185 17.914 19.235 1.00 0.00 ATOM 525 C HIS 60 30.244 19.086 18.876 1.00 0.00 ATOM 526 N ASP 61 31.184 19.567 18.078 1.00 0.00 ATOM 527 CA ASP 61 32.031 18.686 17.267 1.00 0.00 ATOM 528 CB ASP 61 32.864 19.504 16.277 1.00 0.00 ATOM 529 CG ASP 61 32.068 20.088 15.118 1.00 0.00 ATOM 530 OD1 ASP 61 30.945 19.686 14.932 1.00 0.00 ATOM 531 OD2 ASP 61 32.527 21.038 14.528 1.00 0.00 ATOM 532 O ASP 61 32.941 16.606 18.073 1.00 0.00 ATOM 533 C ASP 61 32.951 17.833 18.150 1.00 0.00 ATOM 534 N LEU 62 33.565 18.467 19.142 1.00 0.00 ATOM 535 CA LEU 62 34.429 17.747 20.101 1.00 0.00 ATOM 536 CB LEU 62 35.026 18.730 21.116 1.00 0.00 ATOM 537 CG LEU 62 35.938 18.098 22.177 1.00 0.00 ATOM 538 CD1 LEU 62 37.142 17.447 21.511 1.00 0.00 ATOM 539 CD2 LEU 62 36.381 19.165 23.167 1.00 0.00 ATOM 540 O LEU 62 34.139 15.488 20.916 1.00 0.00 ATOM 541 C LEU 62 33.680 16.631 20.842 1.00 0.00 ATOM 542 N LEU 63 32.510 16.985 21.361 1.00 0.00 ATOM 543 CA LEU 63 31.670 16.034 22.117 1.00 0.00 ATOM 544 CB LEU 63 30.494 16.769 22.770 1.00 0.00 ATOM 545 CG LEU 63 30.882 17.849 23.789 1.00 0.00 ATOM 546 CD1 LEU 63 29.631 18.484 24.379 1.00 0.00 ATOM 547 CD2 LEU 63 31.740 17.230 24.882 1.00 0.00 ATOM 548 O LEU 63 31.225 13.727 21.666 1.00 0.00 ATOM 549 C LEU 63 31.137 14.893 21.261 1.00 0.00 ATOM 550 N ASP 64 30.766 15.218 20.027 1.00 0.00 ATOM 551 CA ASP 64 30.255 14.203 19.080 1.00 0.00 ATOM 552 CB ASP 64 29.735 14.872 17.805 1.00 0.00 ATOM 553 CG ASP 64 29.063 13.920 16.824 1.00 0.00 ATOM 554 OD1 ASP 64 28.071 13.330 17.184 1.00 0.00 ATOM 555 OD2 ASP 64 29.448 13.909 15.680 1.00 0.00 ATOM 556 O ASP 64 31.065 11.961 18.753 1.00 0.00 ATOM 557 C ASP 64 31.298 13.162 18.705 1.00 0.00 ATOM 558 N ASN 65 32.513 13.668 18.547 1.00 0.00 ATOM 559 CA ASN 65 33.673 12.815 18.247 1.00 0.00 ATOM 560 CB ASN 65 34.833 13.628 17.704 1.00 0.00 ATOM 561 CG ASN 65 34.615 14.135 16.305 1.00 0.00 ATOM 562 ND2 ASN 65 35.418 15.095 15.921 1.00 0.00 ATOM 563 OD1 ASN 65 33.779 13.614 15.557 1.00 0.00 ATOM 564 O ASN 65 35.042 11.148 19.304 1.00 0.00 ATOM 565 C ASN 65 34.157 12.003 19.437 1.00 0.00 ATOM 566 N LYS 66 33.624 12.369 20.598 1.00 0.00 ATOM 567 CA LYS 66 33.945 11.761 21.891 1.00 0.00 ATOM 568 CB LYS 66 33.301 10.379 22.008 1.00 0.00 ATOM 569 CG LYS 66 31.779 10.389 21.968 1.00 0.00 ATOM 570 CD LYS 66 31.213 8.980 22.064 1.00 0.00 ATOM 571 CE LYS 66 29.694 8.986 21.984 1.00 0.00 ATOM 572 NZ LYS 66 29.132 7.607 21.965 1.00 0.00 ATOM 573 O LYS 66 36.095 10.650 22.359 1.00 0.00 ATOM 574 C LYS 66 35.491 11.677 22.043 1.00 0.00 ATOM 575 N GLN 67 36.125 12.810 21.746 1.00 0.00 ATOM 576 CA GLN 67 37.607 12.922 21.778 1.00 0.00 ATOM 577 CB GLN 67 38.178 13.787 20.703 1.00 0.00 ATOM 578 CG GLN 67 37.908 13.088 19.419 1.00 0.00 ATOM 579 CD GLN 67 38.591 11.743 19.350 1.00 0.00 ATOM 580 OE1 GLN 67 39.793 11.592 19.425 1.00 0.00 ATOM 581 NE2 GLN 67 37.733 10.775 19.269 1.00 0.00 ATOM 582 O GLN 67 37.311 14.533 23.375 1.00 0.00 ATOM 583 C GLN 67 38.099 13.666 22.961 1.00 0.00 ATOM 584 N PRO 68 39.375 13.364 23.354 1.00 0.00 ATOM 585 CA PRO 68 39.815 13.647 24.695 1.00 0.00 ATOM 586 CB PRO 68 41.253 13.433 25.024 1.00 0.00 ATOM 587 CG PRO 68 41.077 12.041 24.434 1.00 0.00 ATOM 588 CD PRO 68 40.284 12.231 23.111 1.00 0.00 ATOM 589 O PRO 68 38.911 15.571 24.998 1.00 0.00 ATOM 590 C PRO 68 39.028 14.472 25.541 1.00 0.00 ATOM 591 N LEU 69 38.257 13.397 25.735 1.00 0.00 ATOM 592 CA LEU 69 37.364 13.162 26.837 1.00 0.00 ATOM 593 CB LEU 69 36.045 13.913 26.618 1.00 0.00 ATOM 594 CG LEU 69 35.329 13.604 25.297 1.00 0.00 ATOM 595 CD1 LEU 69 34.551 12.301 25.417 1.00 0.00 ATOM 596 CD2 LEU 69 34.400 14.756 24.940 1.00 0.00 ATOM 597 O LEU 69 36.231 10.945 26.790 1.00 0.00 ATOM 598 C LEU 69 36.794 11.849 27.431 1.00 0.00 ATOM 599 N PRO 70 36.672 11.940 28.762 1.00 0.00 ATOM 600 CA PRO 70 35.811 11.062 29.550 1.00 0.00 ATOM 601 CB PRO 70 36.273 11.252 30.989 1.00 0.00 ATOM 602 CG PRO 70 36.808 12.678 31.012 1.00 0.00 ATOM 603 CD PRO 70 37.473 12.811 29.645 1.00 0.00 ATOM 604 O PRO 70 34.008 12.577 28.946 1.00 0.00 ATOM 605 C PRO 70 34.345 11.483 29.377 1.00 0.00 ATOM 606 N GLY 71 33.462 10.580 29.753 1.00 0.00 ATOM 607 CA GLY 71 31.996 10.769 29.716 1.00 0.00 ATOM 608 O GLY 71 30.841 12.805 30.245 1.00 0.00 ATOM 609 C GLY 71 31.556 11.906 30.655 1.00 0.00 ATOM 610 N ALA 72 32.208 11.985 31.815 1.00 0.00 ATOM 611 CA ALA 72 31.980 13.055 32.804 1.00 0.00 ATOM 612 CB ALA 72 32.785 12.732 34.059 1.00 0.00 ATOM 613 O ALA 72 31.673 15.376 32.271 1.00 0.00 ATOM 614 C ALA 72 32.418 14.398 32.226 1.00 0.00 ATOM 615 N PHE 73 33.543 14.329 31.518 1.00 0.00 ATOM 616 CA PHE 73 34.065 15.419 30.739 1.00 0.00 ATOM 617 CB PHE 73 35.156 15.101 29.734 1.00 0.00 ATOM 618 CG PHE 73 35.899 16.255 29.064 1.00 0.00 ATOM 619 CD1 PHE 73 37.220 16.317 29.387 1.00 0.00 ATOM 620 CD2 PHE 73 35.412 17.103 28.092 1.00 0.00 ATOM 621 CE1 PHE 73 38.083 17.223 28.805 1.00 0.00 ATOM 622 CE2 PHE 73 36.259 18.015 27.481 1.00 0.00 ATOM 623 CZ PHE 73 37.595 18.087 27.839 1.00 0.00 ATOM 624 O PHE 73 33.188 16.975 29.721 1.00 0.00 ATOM 625 C PHE 73 32.985 15.828 29.808 1.00 0.00 ATOM 626 N ALA 74 32.467 15.018 28.883 1.00 0.00 ATOM 627 CA ALA 74 31.493 15.437 27.845 1.00 0.00 ATOM 628 CB ALA 74 31.173 14.226 26.960 1.00 0.00 ATOM 629 O ALA 74 29.645 17.005 27.948 1.00 0.00 ATOM 630 C ALA 74 30.182 16.002 28.400 1.00 0.00 ATOM 631 N VAL 75 29.761 15.360 29.478 1.00 0.00 ATOM 632 CA VAL 75 28.536 15.765 30.200 1.00 0.00 ATOM 633 CB VAL 75 28.172 14.758 31.307 1.00 0.00 ATOM 634 CG1 VAL 75 27.029 15.291 32.157 1.00 0.00 ATOM 635 CG2 VAL 75 27.802 13.413 30.702 1.00 0.00 ATOM 636 O VAL 75 27.847 18.017 30.606 1.00 0.00 ATOM 637 C VAL 75 28.695 17.156 30.821 1.00 0.00 ATOM 638 N ALA 76 29.819 17.366 31.494 1.00 0.00 ATOM 639 CA ALA 76 30.152 18.667 32.109 1.00 0.00 ATOM 640 CB ALA 76 31.512 18.595 32.804 1.00 0.00 ATOM 641 O ALA 76 29.420 20.846 31.444 1.00 0.00 ATOM 642 C ALA 76 30.119 19.894 31.140 1.00 0.00 ATOM 643 N PRO 77 30.716 19.848 29.935 1.00 0.00 ATOM 644 CA PRO 77 30.783 20.813 28.840 1.00 0.00 ATOM 645 CB PRO 77 31.516 20.167 27.649 1.00 0.00 ATOM 646 CG PRO 77 32.438 19.221 28.343 1.00 0.00 ATOM 647 CD PRO 77 31.483 18.780 29.431 1.00 0.00 ATOM 648 O PRO 77 29.000 22.187 28.257 1.00 0.00 ATOM 649 C PRO 77 29.386 21.029 28.356 1.00 0.00 ATOM 650 N TYR 78 28.611 19.954 28.156 1.00 0.00 ATOM 651 CA TYR 78 27.228 20.141 27.697 1.00 0.00 ATOM 652 CB TYR 78 26.575 18.788 27.403 1.00 0.00 ATOM 653 CG TYR 78 25.247 18.892 26.687 1.00 0.00 ATOM 654 CD1 TYR 78 24.769 20.117 26.243 1.00 0.00 ATOM 655 CD2 TYR 78 24.474 17.764 26.456 1.00 0.00 ATOM 656 CE1 TYR 78 23.557 20.218 25.590 1.00 0.00 ATOM 657 CE2 TYR 78 23.260 17.852 25.803 1.00 0.00 ATOM 658 CZ TYR 78 22.804 19.081 25.371 1.00 0.00 ATOM 659 OH TYR 78 21.596 19.174 24.720 1.00 0.00 ATOM 660 O TYR 78 25.647 21.820 28.363 1.00 0.00 ATOM 661 C TYR 78 26.391 20.911 28.729 1.00 0.00 ATOM 662 N TYR 79 26.634 20.612 30.000 1.00 0.00 ATOM 663 CA TYR 79 25.970 21.283 31.131 1.00 0.00 ATOM 664 CB TYR 79 26.353 20.613 32.452 1.00 0.00 ATOM 665 CG TYR 79 25.736 21.262 33.670 1.00 0.00 ATOM 666 CD1 TYR 79 24.417 21.014 34.019 1.00 0.00 ATOM 667 CD2 TYR 79 26.476 22.120 34.470 1.00 0.00 ATOM 668 CE1 TYR 79 23.848 21.605 35.131 1.00 0.00 ATOM 669 CE2 TYR 79 25.919 22.715 35.584 1.00 0.00 ATOM 670 CZ TYR 79 24.604 22.456 35.912 1.00 0.00 ATOM 671 OH TYR 79 24.043 23.046 37.022 1.00 0.00 ATOM 672 O TYR 79 25.464 23.646 31.241 1.00 0.00 ATOM 673 C TYR 79 26.334 22.778 31.165 1.00 0.00 ATOM 674 N GLU 80 27.622 23.065 31.039 1.00 0.00 ATOM 675 CA GLU 80 28.098 24.449 31.022 1.00 0.00 ATOM 676 CB GLU 80 29.624 24.490 30.922 1.00 0.00 ATOM 677 CG GLU 80 30.349 24.036 32.181 1.00 0.00 ATOM 678 CD GLU 80 31.837 23.991 31.970 1.00 0.00 ATOM 679 OE1 GLU 80 32.269 24.232 30.869 1.00 0.00 ATOM 680 OE2 GLU 80 32.549 23.826 32.933 1.00 0.00 ATOM 681 O GLU 80 27.005 26.357 30.042 1.00 0.00 ATOM 682 C GLU 80 27.476 25.232 29.868 1.00 0.00 ATOM 683 N MET 81 27.335 24.562 28.733 1.00 0.00 ATOM 684 CA MET 81 26.811 25.207 27.531 1.00 0.00 ATOM 685 CB MET 81 27.031 24.312 26.313 1.00 0.00 ATOM 686 CG MET 81 28.485 24.182 25.882 1.00 0.00 ATOM 687 SD MET 81 28.660 23.478 24.229 1.00 0.00 ATOM 688 CE MET 81 28.317 21.753 24.558 1.00 0.00 ATOM 689 O MET 81 24.916 26.659 27.451 1.00 0.00 ATOM 690 C MET 81 25.325 25.535 27.689 1.00 0.00 ATOM 691 N ALA 82 24.586 24.540 28.174 1.00 0.00 ATOM 692 CA ALA 82 23.142 24.694 28.455 1.00 0.00 ATOM 693 CB ALA 82 22.598 23.344 28.924 1.00 0.00 ATOM 694 O ALA 82 21.943 26.537 29.480 1.00 0.00 ATOM 695 C ALA 82 22.885 25.757 29.527 1.00 0.00 ATOM 696 N LEU 83 23.800 25.830 30.492 1.00 0.00 ATOM 697 CA LEU 83 23.743 26.835 31.549 1.00 0.00 ATOM 698 CB LEU 83 24.813 26.549 32.610 1.00 0.00 ATOM 699 CG LEU 83 24.866 27.552 33.770 1.00 0.00 ATOM 700 CD1 LEU 83 23.544 27.543 34.527 1.00 0.00 ATOM 701 CD2 LEU 83 26.021 27.198 34.696 1.00 0.00 ATOM 702 O LEU 83 23.086 29.131 31.168 1.00 0.00 ATOM 703 C LEU 83 23.920 28.242 30.967 1.00 0.00 ATOM 704 N ALA 84 24.982 28.351 30.177 1.00 0.00 ATOM 705 CA ALA 84 25.300 29.588 29.469 1.00 0.00 ATOM 706 CB ALA 84 26.517 29.488 28.559 1.00 0.00 ATOM 707 O ALA 84 23.971 31.182 28.665 1.00 0.00 ATOM 708 C ALA 84 24.138 29.991 28.599 1.00 0.00 ATOM 709 N THR 85 23.433 29.084 27.922 1.00 0.00 ATOM 710 CA THR 85 22.253 29.368 27.061 1.00 0.00 ATOM 711 CB THR 85 21.896 28.159 26.175 1.00 0.00 ATOM 712 CG2 THR 85 20.665 28.459 25.334 1.00 0.00 ATOM 713 OG1 THR 85 22.999 27.855 25.311 1.00 0.00 ATOM 714 O THR 85 20.178 30.583 27.413 1.00 0.00 ATOM 715 C THR 85 20.988 29.758 27.839 1.00 0.00 ATOM 716 N ASP 86 20.854 29.174 29.022 1.00 0.00 ATOM 717 CA ASP 86 19.729 29.459 29.927 1.00 0.00 ATOM 718 CB ASP 86 19.738 28.492 31.113 1.00 0.00 ATOM 719 CG ASP 86 19.318 27.069 30.769 1.00 0.00 ATOM 720 OD1 ASP 86 18.799 26.867 29.697 1.00 0.00 ATOM 721 OD2 ASP 86 19.658 26.176 31.508 1.00 0.00 ATOM 722 O ASP 86 18.670 31.525 30.530 1.00 0.00 ATOM 723 C ASP 86 19.727 30.900 30.457 1.00 0.00 ATOM 724 N HIS 87 20.908 31.413 30.800 1.00 0.00 ATOM 725 CA HIS 87 21.041 32.848 31.193 1.00 0.00 ATOM 726 CB HIS 87 22.480 33.215 31.611 1.00 0.00 ATOM 727 CG HIS 87 22.580 34.666 32.105 1.00 0.00 ATOM 728 CD2 HIS 87 23.132 35.722 31.504 1.00 0.00 ATOM 729 ND1 HIS 87 22.115 35.060 33.285 1.00 0.00 ATOM 730 CE1 HIS 87 22.387 36.345 33.421 1.00 0.00 ATOM 731 NE2 HIS 87 23.020 36.766 32.324 1.00 0.00 ATOM 732 O HIS 87 19.696 34.668 30.420 1.00 0.00 ATOM 733 C HIS 87 20.512 33.808 30.093 1.00 0.00 ATOM 734 N PRO 88 20.891 33.643 28.816 1.00 0.00 ATOM 735 CA PRO 88 20.437 34.351 27.610 1.00 0.00 ATOM 736 CB PRO 88 21.014 33.566 26.438 1.00 0.00 ATOM 737 CG PRO 88 22.357 33.132 26.964 1.00 0.00 ATOM 738 CD PRO 88 21.976 32.807 28.385 1.00 0.00 ATOM 739 O PRO 88 18.230 35.230 27.497 1.00 0.00 ATOM 740 C PRO 88 18.939 34.235 27.484 1.00 0.00 ATOM 741 N GLN 89 18.421 33.020 27.640 1.00 0.00 ATOM 742 CA GLN 89 16.971 32.856 27.530 1.00 0.00 ATOM 743 CB GLN 89 16.610 31.385 27.669 1.00 0.00 ATOM 744 CG GLN 89 15.114 31.229 27.464 1.00 0.00 ATOM 745 CD GLN 89 14.659 31.522 26.039 1.00 0.00 ATOM 746 OE1 GLN 89 15.283 31.115 25.075 1.00 0.00 ATOM 747 NE2 GLN 89 13.554 32.212 25.932 1.00 0.00 ATOM 748 O GLN 89 15.332 34.462 28.266 1.00 0.00 ATOM 749 C GLN 89 16.240 33.698 28.584 1.00 0.00 ATOM 750 N ARG 90 16.717 33.617 29.823 1.00 0.00 ATOM 751 CA ARG 90 16.144 34.401 30.925 1.00 0.00 ATOM 752 CB ARG 90 16.817 34.100 32.255 1.00 0.00 ATOM 753 CG ARG 90 16.443 32.712 32.772 1.00 0.00 ATOM 754 CD ARG 90 17.177 32.484 34.088 1.00 0.00 ATOM 755 NE ARG 90 16.902 31.141 34.615 1.00 0.00 ATOM 756 CZ ARG 90 17.532 30.580 35.644 1.00 0.00 ATOM 757 NH1 ARG 90 17.213 29.385 36.091 1.00 0.00 ATOM 758 NH2 ARG 90 18.475 31.195 36.324 1.00 0.00 ATOM 759 O ARG 90 15.221 36.617 30.902 1.00 0.00 ATOM 760 C ARG 90 16.201 35.907 30.685 1.00 0.00 ATOM 761 N ALA 91 17.351 36.354 30.200 1.00 0.00 ATOM 762 CA ALA 91 17.596 37.773 29.924 1.00 0.00 ATOM 763 CB ALA 91 19.077 37.909 29.563 1.00 0.00 ATOM 764 O ALA 91 15.955 39.312 29.047 1.00 0.00 ATOM 765 C ALA 91 16.663 38.335 28.825 1.00 0.00 ATOM 766 N LEU 92 16.500 37.546 27.770 1.00 0.00 ATOM 767 CA LEU 92 15.592 37.888 26.657 1.00 0.00 ATOM 768 CB LEU 92 15.837 36.954 25.466 1.00 0.00 ATOM 769 CG LEU 92 17.181 37.145 24.752 1.00 0.00 ATOM 770 CD1 LEU 92 17.380 36.052 23.712 1.00 0.00 ATOM 771 CD2 LEU 92 17.223 38.521 24.104 1.00 0.00 ATOM 772 O LEU 92 13.354 38.723 26.696 1.00 0.00 ATOM 773 C LEU 92 14.118 37.828 27.060 1.00 0.00 ATOM 774 N ILE 93 13.750 36.845 27.875 1.00 0.00 ATOM 775 CA ILE 93 12.360 36.753 28.385 1.00 0.00 ATOM 776 CB ILE 93 12.155 35.492 29.242 1.00 0.00 ATOM 777 CG1 ILE 93 12.252 34.234 28.374 1.00 0.00 ATOM 778 CG2 ILE 93 10.813 35.545 29.956 1.00 0.00 ATOM 779 CD1 ILE 93 12.330 32.949 29.167 1.00 0.00 ATOM 780 O ILE 93 10.950 38.580 29.067 1.00 0.00 ATOM 781 C ILE 93 12.024 38.005 29.211 1.00 0.00 ATOM 782 N LEU 94 12.961 38.405 30.058 1.00 0.00 ATOM 783 CA LEU 94 12.810 39.579 30.938 1.00 0.00 ATOM 784 CB LEU 94 14.014 39.694 31.880 1.00 0.00 ATOM 785 CG LEU 94 14.099 38.614 32.966 1.00 0.00 ATOM 786 CD1 LEU 94 15.425 38.723 33.708 1.00 0.00 ATOM 787 CD2 LEU 94 12.929 38.766 33.927 1.00 0.00 ATOM 788 O LEU 94 11.658 41.582 30.274 1.00 0.00 ATOM 789 C LEU 94 12.646 40.870 30.133 1.00 0.00 ATOM 790 N ALA 95 13.549 41.058 29.165 1.00 0.00 ATOM 791 CA ALA 95 13.502 42.228 28.265 1.00 0.00 ATOM 792 CB ALA 95 14.722 42.241 27.344 1.00 0.00 ATOM 793 O ALA 95 11.556 43.235 27.250 1.00 0.00 ATOM 794 C ALA 95 12.217 42.210 27.426 1.00 0.00 ATOM 795 N GLU 96 11.830 41.012 26.998 1.00 0.00 ATOM 796 CA GLU 96 10.608 40.790 26.214 1.00 0.00 ATOM 797 CB GLU 96 10.517 39.329 25.766 1.00 0.00 ATOM 798 CG GLU 96 9.308 39.012 24.897 1.00 0.00 ATOM 799 CD GLU 96 9.310 37.573 24.464 1.00 0.00 ATOM 800 OE1 GLU 96 10.221 36.866 24.819 1.00 0.00 ATOM 801 OE2 GLU 96 8.345 37.150 23.872 1.00 0.00 ATOM 802 O GLU 96 8.512 41.804 26.477 1.00 0.00 ATOM 803 C GLU 96 9.388 41.179 27.029 1.00 0.00 ATOM 804 N LEU 97 9.306 40.759 28.276 1.00 0.00 ATOM 805 CA LEU 97 8.175 41.084 29.161 1.00 0.00 ATOM 806 CB LEU 97 8.279 40.288 30.468 1.00 0.00 ATOM 807 CG LEU 97 8.047 38.778 30.332 1.00 0.00 ATOM 808 CD1 LEU 97 8.356 38.081 31.652 1.00 0.00 ATOM 809 CD2 LEU 97 6.609 38.519 29.909 1.00 0.00 ATOM 810 O LEU 97 7.009 43.168 29.387 1.00 0.00 ATOM 811 C LEU 97 8.084 42.579 29.477 1.00 0.00 ATOM 812 N GLU 98 9.254 43.165 29.714 1.00 0.00 ATOM 813 CA GLU 98 9.399 44.595 30.034 1.00 0.00 ATOM 814 CB GLU 98 10.838 44.906 30.451 1.00 0.00 ATOM 815 CG GLU 98 11.238 44.336 31.804 1.00 0.00 ATOM 816 CD GLU 98 12.695 44.572 32.088 1.00 0.00 ATOM 817 OE1 GLU 98 13.371 45.091 31.232 1.00 0.00 ATOM 818 OE2 GLU 98 13.110 44.339 33.199 1.00 0.00 ATOM 819 O GLU 98 8.316 46.493 29.019 1.00 0.00 ATOM 820 C GLU 98 8.997 45.484 28.853 1.00 0.00 ATOM 821 N LYS 99 9.422 45.067 27.664 1.00 0.00 ATOM 822 CA LYS 99 9.153 45.758 26.391 1.00 0.00 ATOM 823 CB LYS 99 10.412 45.793 25.525 1.00 0.00 ATOM 824 CG LYS 99 11.557 46.593 26.129 1.00 0.00 ATOM 825 CD LYS 99 12.719 46.615 25.151 1.00 0.00 ATOM 826 CE LYS 99 13.871 47.428 25.714 1.00 0.00 ATOM 827 NZ LYS 99 14.994 47.482 24.790 1.00 0.00 ATOM 828 O LYS 99 7.770 45.613 24.443 1.00 0.00 ATOM 829 C LYS 99 8.079 45.092 25.512 1.00 0.00 ATOM 830 N LEU 100 7.371 44.117 26.068 1.00 0.00 ATOM 831 CA LEU 100 6.367 43.302 25.361 1.00 0.00 ATOM 832 CB LEU 100 5.593 42.388 26.325 1.00 0.00 ATOM 833 CG LEU 100 4.545 41.552 25.587 1.00 0.00 ATOM 834 CD1 LEU 100 5.196 40.674 24.534 1.00 0.00 ATOM 835 CD2 LEU 100 3.709 40.736 26.550 1.00 0.00 ATOM 836 O LEU 100 5.198 43.861 23.383 1.00 0.00 ATOM 837 C LEU 100 5.354 44.118 24.564 1.00 0.00 ATOM 838 N ASP 101 4.747 45.109 25.201 1.00 0.00 ATOM 839 CA ASP 101 3.707 45.900 24.526 1.00 0.00 ATOM 840 CB ASP 101 3.059 46.883 25.506 1.00 0.00 ATOM 841 CG ASP 101 2.141 46.234 26.533 1.00 0.00 ATOM 842 OD1 ASP 101 1.811 45.084 26.363 1.00 0.00 ATOM 843 OD2 ASP 101 1.904 46.835 27.552 1.00 0.00 ATOM 844 O ASP 101 3.639 46.597 22.266 1.00 0.00 ATOM 845 C ASP 101 4.235 46.665 23.330 1.00 0.00 ATOM 846 N ALA 102 5.363 47.334 23.503 1.00 0.00 ATOM 847 CA ALA 102 5.995 48.072 22.393 1.00 0.00 ATOM 848 CB ALA 102 7.203 48.849 22.885 1.00 0.00 ATOM 849 O ALA 102 6.048 47.391 20.110 1.00 0.00 ATOM 850 C ALA 102 6.424 47.139 21.252 1.00 0.00 ATOM 851 N LEU 103 7.093 46.051 21.624 1.00 0.00 ATOM 852 CA LEU 103 7.522 45.040 20.641 1.00 0.00 ATOM 853 CB LEU 103 8.393 43.974 21.314 1.00 0.00 ATOM 854 CG LEU 103 9.763 44.467 21.782 1.00 0.00 ATOM 855 CD1 LEU 103 10.419 43.366 22.606 1.00 0.00 ATOM 856 CD2 LEU 103 10.711 44.806 20.626 1.00 0.00 ATOM 857 O LEU 103 6.293 44.309 18.706 1.00 0.00 ATOM 858 C LEU 103 6.337 44.370 19.926 1.00 0.00 ATOM 859 N PHE 104 5.324 44.035 20.714 1.00 0.00 ATOM 860 CA PHE 104 4.090 43.440 20.181 1.00 0.00 ATOM 861 CB PHE 104 3.169 43.006 21.323 1.00 0.00 ATOM 862 CG PHE 104 1.875 42.398 20.860 1.00 0.00 ATOM 863 CD1 PHE 104 1.829 41.085 20.417 1.00 0.00 ATOM 864 CD2 PHE 104 0.703 43.138 20.867 1.00 0.00 ATOM 865 CE1 PHE 104 0.640 40.524 19.992 1.00 0.00 ATOM 866 CE2 PHE 104 -0.488 42.580 20.442 1.00 0.00 ATOM 867 CZ PHE 104 -0.518 41.271 20.004 1.00 0.00 ATOM 868 O PHE 104 2.842 44.034 18.228 1.00 0.00 ATOM 869 C PHE 104 3.359 44.417 19.256 1.00 0.00 ATOM 870 N ALA 105 3.270 45.664 19.701 1.00 0.00 ATOM 871 CA ALA 105 2.568 46.696 18.940 1.00 0.00 ATOM 872 CB ALA 105 2.584 47.939 19.815 1.00 0.00 ATOM 873 O ALA 105 2.556 47.142 16.582 1.00 0.00 ATOM 874 C ALA 105 3.239 46.954 17.591 1.00 0.00 ATOM 875 N ASP 106 4.563 47.035 17.589 1.00 0.00 ATOM 876 CA ASP 106 5.334 47.262 16.363 1.00 0.00 ATOM 877 CB ASP 106 6.589 48.084 16.663 1.00 0.00 ATOM 878 CG ASP 106 7.408 48.453 15.433 1.00 0.00 ATOM 879 OD1 ASP 106 7.063 48.016 14.361 1.00 0.00 ATOM 880 OD2 ASP 106 8.272 49.290 15.549 1.00 0.00 ATOM 881 O ASP 106 6.757 45.334 15.977 1.00 0.00 ATOM 882 C ASP 106 5.695 45.916 15.735 1.00 0.00 ATOM 883 N ASP 107 4.793 45.460 14.877 1.00 0.00 ATOM 884 CA ASP 107 4.920 44.136 14.257 1.00 0.00 ATOM 885 CB ASP 107 3.715 43.847 13.357 1.00 0.00 ATOM 886 CG ASP 107 2.423 43.560 14.109 1.00 0.00 ATOM 887 OD1 ASP 107 2.484 43.351 15.298 1.00 0.00 ATOM 888 OD2 ASP 107 1.375 43.703 13.527 1.00 0.00 ATOM 889 O ASP 107 6.881 42.926 13.568 1.00 0.00 ATOM 890 C ASP 107 6.200 43.940 13.426 1.00 0.00 ATOM 891 N ALA 108 6.503 44.911 12.576 1.00 0.00 ATOM 892 CA ALA 108 7.716 44.827 11.743 1.00 0.00 ATOM 893 CB ALA 108 7.828 46.010 10.790 1.00 0.00 ATOM 894 O ALA 108 9.877 43.936 12.355 1.00 0.00 ATOM 895 C ALA 108 8.982 44.741 12.597 1.00 0.00 ATOM 896 N SER 109 8.985 45.471 13.708 1.00 0.00 ATOM 897 CA SER 109 10.141 45.473 14.620 1.00 0.00 ATOM 898 CB SER 109 10.016 46.609 15.617 1.00 0.00 ATOM 899 OG SER 109 11.092 46.642 16.515 1.00 0.00 ATOM 900 O SER 109 11.474 43.731 15.614 1.00 0.00 ATOM 901 C SER 109 10.339 44.153 15.396 1.00 0.00 ATOM 902 N LEU 110 9.242 43.494 15.738 1.00 0.00 ATOM 903 CA LEU 110 9.297 42.246 16.533 1.00 0.00 ATOM 904 CB LEU 110 7.888 41.752 16.863 1.00 0.00 ATOM 905 CG LEU 110 7.897 40.606 17.876 1.00 0.00 ATOM 906 CD1 LEU 110 8.375 41.089 19.244 1.00 0.00 ATOM 907 CD2 LEU 110 6.484 40.049 18.023 1.00 0.00 ATOM 908 O LEU 110 10.869 40.432 16.489 1.00 0.00 ATOM 909 C LEU 110 10.107 41.139 15.839 1.00 0.00 ATOM 910 N GLU 111 10.033 41.119 14.506 1.00 0.00 ATOM 911 CA GLU 111 10.814 40.173 13.676 1.00 0.00 ATOM 912 CB GLU 111 10.466 40.346 12.196 1.00 0.00 ATOM 913 CG GLU 111 11.183 39.379 11.265 1.00 0.00 ATOM 914 CD GLU 111 10.760 39.581 9.837 1.00 0.00 ATOM 915 OE1 GLU 111 9.935 40.429 9.596 1.00 0.00 ATOM 916 OE2 GLU 111 11.343 38.969 8.972 1.00 0.00 ATOM 917 O GLU 111 13.024 39.379 14.137 1.00 0.00 ATOM 918 C GLU 111 12.317 40.346 13.874 1.00 0.00 ATOM 919 N HIS 112 12.738 41.602 13.839 1.00 0.00 ATOM 920 CA HIS 112 14.152 41.987 14.003 1.00 0.00 ATOM 921 CB HIS 112 14.324 43.501 13.833 1.00 0.00 ATOM 922 CG HIS 112 15.735 43.969 14.006 1.00 0.00 ATOM 923 CD2 HIS 112 16.332 44.655 15.007 1.00 0.00 ATOM 924 ND1 HIS 112 16.716 43.736 13.064 1.00 0.00 ATOM 925 CE1 HIS 112 17.855 44.261 13.481 1.00 0.00 ATOM 926 NE2 HIS 112 17.648 44.823 14.657 1.00 0.00 ATOM 927 O HIS 112 15.694 40.887 15.497 1.00 0.00 ATOM 928 C HIS 112 14.669 41.537 15.378 1.00 0.00 ATOM 929 N HIS 113 13.829 41.772 16.386 1.00 0.00 ATOM 930 CA HIS 113 14.117 41.407 17.782 1.00 0.00 ATOM 931 CB HIS 113 12.994 41.885 18.709 1.00 0.00 ATOM 932 CG HIS 113 13.232 41.572 20.153 1.00 0.00 ATOM 933 CD2 HIS 113 13.910 42.247 21.112 1.00 0.00 ATOM 934 ND1 HIS 113 12.740 40.436 20.760 1.00 0.00 ATOM 935 CE1 HIS 113 13.105 40.425 22.030 1.00 0.00 ATOM 936 NE2 HIS 113 13.815 41.513 22.268 1.00 0.00 ATOM 937 O HIS 113 15.225 39.445 18.589 1.00 0.00 ATOM 938 C HIS 113 14.310 39.889 17.925 1.00 0.00 ATOM 939 N HIS 114 13.458 39.128 17.270 1.00 0.00 ATOM 940 CA HIS 114 13.480 37.668 17.405 1.00 0.00 ATOM 941 CB HIS 114 12.116 37.070 17.049 1.00 0.00 ATOM 942 CG HIS 114 11.030 37.427 18.016 1.00 0.00 ATOM 943 CD2 HIS 114 11.085 37.928 19.273 1.00 0.00 ATOM 944 ND1 HIS 114 9.692 37.276 17.721 1.00 0.00 ATOM 945 CE1 HIS 114 8.970 37.669 18.757 1.00 0.00 ATOM 946 NE2 HIS 114 9.792 38.069 19.709 1.00 0.00 ATOM 947 O HIS 114 14.995 35.929 17.048 1.00 0.00 ATOM 948 C HIS 114 14.531 36.948 16.570 1.00 0.00 ATOM 949 N HIS 115 14.793 37.494 15.375 1.00 0.00 ATOM 950 CA HIS 115 15.660 36.861 14.381 1.00 0.00 ATOM 951 CB HIS 115 14.997 36.873 13.000 1.00 0.00 ATOM 952 CG HIS 115 13.733 36.074 12.932 1.00 0.00 ATOM 953 CD2 HIS 115 13.514 34.779 12.605 1.00 0.00 ATOM 954 ND1 HIS 115 12.497 36.611 13.227 1.00 0.00 ATOM 955 CE1 HIS 115 11.571 35.679 13.082 1.00 0.00 ATOM 956 NE2 HIS 115 12.161 34.559 12.706 1.00 0.00 ATOM 957 O HIS 115 17.880 36.735 13.428 1.00 0.00 ATOM 958 C HIS 115 17.084 37.369 14.119 1.00 0.00 ATOM 959 N HIS 116 17.288 38.618 14.511 1.00 0.00 ATOM 960 CA HIS 116 18.572 39.306 14.225 1.00 0.00 ATOM 961 CB HIS 116 18.531 40.755 14.721 1.00 0.00 ATOM 962 CG HIS 116 19.790 41.519 14.451 1.00 0.00 ATOM 963 CD2 HIS 116 20.749 41.981 15.286 1.00 0.00 ATOM 964 ND1 HIS 116 20.176 41.890 13.180 1.00 0.00 ATOM 965 CE1 HIS 116 21.320 42.548 13.246 1.00 0.00 ATOM 966 NE2 HIS 116 21.689 42.616 14.512 1.00 0.00 ATOM 967 O HIS 116 19.594 38.350 16.067 1.00 0.00 ATOM 968 C HIS 116 19.700 38.537 14.877 1.00 0.00 ATOM 969 N HIS 117 20.711 38.180 14.089 1.00 0.00 ATOM 970 CA HIS 117 21.962 37.573 14.594 1.00 0.00 ATOM 971 CB HIS 117 22.865 37.100 13.446 1.00 0.00 ATOM 972 CG HIS 117 22.224 36.061 12.506 1.00 0.00 ATOM 973 CD2 HIS 117 21.419 36.271 11.467 1.00 0.00 ATOM 974 ND1 HIS 117 22.321 34.742 12.695 1.00 0.00 ATOM 975 CE1 HIS 117 21.604 34.168 11.733 1.00 0.00 ATOM 976 NE2 HIS 117 21.033 35.104 10.974 1.00 0.00 ATOM 977 O HIS 117 22.326 39.692 15.691 1.00 0.00 ATOM 978 C HIS 117 22.754 38.530 15.524 1.00 0.00 TER END