PFRMAT TS TARGET T0373 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 had a lot of trouble with T0373, because the terminal helices do METHOD not pack compactly in the monomer. We had to do all our optimization METHOD in a dimer context, in order to keep the monomer from collapsing. METHOD Unfortunately, the top few templates all had different dimerizations, METHOD so there was not a simple model to copy. METHOD METHOD Eventually, we gave up on determining exactly how the winged-helix METHOD monomers dimerized, and just submitted chain A from the 3 best dimers METHOD created so far, along with models from the top two alignments. There METHOD is fair agreement on the core of the model, but the N and C terminal METHOD helices are still very much in need of work. METHOD METHOD Model 1 is chain A of dimer/try9-opt2, optimized from dimeric alignments, METHOD stressing 1lnwA and 1s3jA. METHOD METHOD Model 2 is chain A of dimer/try6-opt2, optimized from dimeric alignments, METHOD stressing 2a61A and 1lnwA. METHOD METHOD Model 3 is chain A of dimer/try1-opt2, optimized from a chimeric METHOD monomer (opening up the C-terminal helix) superimposed on 2a61 to form METHOD a dimer. METHOD METHOD Model 4 is sidechain replacement by SCWRL on an alignment to 2a61A. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fbhA. REMARK 6 REMARK 6 T0373 model 5 Mon Jul 31 20:30:09 2006 MODEL 5 PARENT 2fbh_A ATOM 2 N HIS 12 -10.759 -10.045 1.608 1.00 0.00 ATOM 3 CA HIS 12 -11.256 -8.870 2.387 1.00 0.00 ATOM 4 CB HIS 12 -11.610 -9.285 3.817 1.00 0.00 ATOM 5 CG HIS 12 -12.852 -10.116 3.914 1.00 0.00 ATOM 6 CD2 HIS 12 -13.162 -11.474 4.336 1.00 0.00 ATOM 7 ND1 HIS 12 -14.096 -9.639 3.562 1.00 0.00 ATOM 8 CE1 HIS 12 -15.008 -10.608 3.758 1.00 0.00 ATOM 9 NE2 HIS 12 -14.454 -11.712 4.223 1.00 0.00 ATOM 10 O HIS 12 -10.367 -6.596 2.173 1.00 0.00 ATOM 11 C HIS 12 -10.139 -7.800 2.422 1.00 0.00 ATOM 12 N LEU 13 -8.883 -8.229 2.596 1.00 0.00 ATOM 13 CA LEU 13 -7.790 -7.280 2.618 1.00 0.00 ATOM 14 CB LEU 13 -6.469 -7.989 2.920 1.00 0.00 ATOM 15 CG LEU 13 -6.304 -8.539 4.338 1.00 0.00 ATOM 16 CD1 LEU 13 -5.035 -9.372 4.448 1.00 0.00 ATOM 17 CD2 LEU 13 -6.216 -7.404 5.347 1.00 0.00 ATOM 18 O LEU 13 -7.507 -5.359 1.193 1.00 0.00 ATOM 19 C LEU 13 -7.650 -6.567 1.263 1.00 0.00 ATOM 20 N ARG 14 -7.759 -7.354 0.184 1.00 0.00 ATOM 21 CA ARG 14 -7.565 -6.732 -1.156 1.00 0.00 ATOM 22 CB ARG 14 -7.545 -7.805 -2.247 1.00 0.00 ATOM 23 CG ARG 14 -6.298 -8.673 -2.240 1.00 0.00 ATOM 24 CD ARG 14 -6.379 -9.764 -3.296 1.00 0.00 ATOM 25 NE ARG 14 -5.190 -10.611 -3.300 1.00 0.00 ATOM 26 CZ ARG 14 -5.041 -11.685 -4.070 1.00 0.00 ATOM 27 NH1 ARG 14 -3.922 -12.396 -4.006 1.00 0.00 ATOM 28 NH2 ARG 14 -6.007 -12.045 -4.902 1.00 0.00 ATOM 29 O ARG 14 -8.467 -4.681 -2.102 1.00 0.00 ATOM 30 C ARG 14 -8.678 -5.763 -1.467 1.00 0.00 ATOM 31 N SER 15 -9.895 -6.157 -1.117 1.00 0.00 ATOM 32 CA SER 15 -11.063 -5.292 -1.369 1.00 0.00 ATOM 33 CB SER 15 -12.355 -6.002 -0.963 1.00 0.00 ATOM 34 OG SER 15 -12.599 -7.128 -1.789 1.00 0.00 ATOM 35 O SER 15 -11.393 -2.909 -1.146 1.00 0.00 ATOM 36 C SER 15 -11.017 -3.968 -0.590 1.00 0.00 ATOM 37 N GLN 16 -10.565 -4.038 0.668 1.00 0.00 ATOM 38 CA GLN 16 -10.480 -2.869 1.521 1.00 0.00 ATOM 39 CB GLN 16 -10.125 -3.275 2.953 1.00 0.00 ATOM 40 CG GLN 16 -11.235 -4.018 3.680 1.00 0.00 ATOM 41 CD GLN 16 -10.797 -4.531 5.038 1.00 0.00 ATOM 42 OE1 GLN 16 -9.627 -4.429 5.405 1.00 0.00 ATOM 43 NE2 GLN 16 -11.741 -5.087 5.789 1.00 0.00 ATOM 44 O GLN 16 -9.593 -0.754 0.859 1.00 0.00 ATOM 45 C GLN 16 -9.392 -1.946 0.967 1.00 0.00 ATOM 46 N VAL 17 -8.241 -2.531 0.613 1.00 0.00 ATOM 47 CA VAL 17 -7.145 -1.789 -0.010 1.00 0.00 ATOM 48 CB VAL 17 -5.952 -2.707 -0.332 1.00 0.00 ATOM 49 CG1 VAL 17 -4.912 -1.961 -1.154 1.00 0.00 ATOM 50 CG2 VAL 17 -5.293 -3.195 0.948 1.00 0.00 ATOM 51 O VAL 17 -7.333 0.034 -1.530 1.00 0.00 ATOM 52 C VAL 17 -7.613 -1.135 -1.332 1.00 0.00 ATOM 53 N THR 18 -8.263 -1.888 -2.214 1.00 0.00 ATOM 54 CA THR 18 -8.785 -1.324 -3.473 1.00 0.00 ATOM 55 CB THR 18 -9.541 -2.385 -4.296 1.00 0.00 ATOM 56 CG2 THR 18 -10.103 -1.771 -5.569 1.00 0.00 ATOM 57 OG1 THR 18 -8.645 -3.447 -4.648 1.00 0.00 ATOM 58 O THR 18 -9.699 0.822 -3.944 1.00 0.00 ATOM 59 C THR 18 -9.741 -0.191 -3.203 1.00 0.00 ATOM 60 N THR 19 -10.610 -0.355 -2.217 1.00 0.00 ATOM 61 CA THR 19 -11.639 0.704 -1.937 1.00 0.00 ATOM 62 CB THR 19 -12.630 0.252 -0.847 1.00 0.00 ATOM 63 CG2 THR 19 -13.635 1.355 -0.552 1.00 0.00 ATOM 64 OG1 THR 19 -13.334 -0.913 -1.293 1.00 0.00 ATOM 65 O THR 19 -11.277 3.088 -1.848 1.00 0.00 ATOM 66 C THR 19 -10.911 1.967 -1.460 1.00 0.00 ATOM 67 N LEU 20 -9.887 1.819 -0.613 1.00 0.00 ATOM 68 CA LEU 20 -9.205 2.987 -0.073 1.00 0.00 ATOM 69 CB LEU 20 -8.219 2.574 1.023 1.00 0.00 ATOM 70 CG LEU 20 -8.832 2.062 2.328 1.00 0.00 ATOM 71 CD1 LEU 20 -7.753 1.512 3.249 1.00 0.00 ATOM 72 CD2 LEU 20 -9.554 3.183 3.059 1.00 0.00 ATOM 73 O LEU 20 -8.530 4.919 -1.403 1.00 0.00 ATOM 74 C LEU 20 -8.432 3.691 -1.212 1.00 0.00 ATOM 75 N THR 21 -7.701 2.928 -2.006 1.00 0.00 ATOM 76 CA THR 21 -7.018 3.563 -3.160 1.00 0.00 ATOM 77 CB THR 21 -6.164 2.546 -3.940 1.00 0.00 ATOM 78 CG2 THR 21 -5.507 3.211 -5.139 1.00 0.00 ATOM 79 OG1 THR 21 -5.143 2.020 -3.084 1.00 0.00 ATOM 80 O THR 21 -7.671 5.212 -4.801 1.00 0.00 ATOM 81 C THR 21 -7.999 4.189 -4.187 1.00 0.00 ATOM 82 N ARG 22 -9.191 3.631 -4.333 1.00 0.00 ATOM 83 CA ARG 22 -10.221 4.230 -5.243 1.00 0.00 ATOM 84 CB ARG 22 -11.449 3.322 -5.333 1.00 0.00 ATOM 85 CG ARG 22 -11.214 2.035 -6.106 1.00 0.00 ATOM 86 CD ARG 22 -12.447 1.147 -6.090 1.00 0.00 ATOM 87 NE ARG 22 -12.237 -0.097 -6.827 1.00 0.00 ATOM 88 CZ ARG 22 -13.127 -1.081 -6.901 1.00 0.00 ATOM 89 NH1 ARG 22 -12.848 -2.177 -7.594 1.00 0.00 ATOM 90 NH2 ARG 22 -14.295 -0.967 -6.283 1.00 0.00 ATOM 91 O ARG 22 -10.831 6.540 -5.432 1.00 0.00 ATOM 92 C ARG 22 -10.626 5.565 -4.689 1.00 0.00 ATOM 93 N ARG 23 -10.819 5.596 -3.370 1.00 0.00 ATOM 94 CA ARG 23 -11.265 6.845 -2.735 1.00 0.00 ATOM 95 CB ARG 23 -11.571 6.613 -1.253 1.00 0.00 ATOM 96 CG ARG 23 -12.827 5.794 -1.000 1.00 0.00 ATOM 97 CD ARG 23 -13.027 5.535 0.483 1.00 0.00 ATOM 98 NE ARG 23 -14.228 4.745 0.743 1.00 0.00 ATOM 99 CZ ARG 23 -14.593 4.313 1.946 1.00 0.00 ATOM 100 NH1 ARG 23 -15.701 3.600 2.088 1.00 0.00 ATOM 101 NH2 ARG 23 -13.847 4.596 3.005 1.00 0.00 ATOM 102 O ARG 23 -10.440 9.102 -3.128 1.00 0.00 ATOM 103 C ARG 23 -10.172 7.945 -2.834 1.00 0.00 ATOM 104 N LEU 24 -8.929 7.551 -2.590 1.00 0.00 ATOM 105 CA LEU 24 -7.831 8.517 -2.745 1.00 0.00 ATOM 106 CB LEU 24 -6.499 7.885 -2.337 1.00 0.00 ATOM 107 CG LEU 24 -5.266 8.784 -2.431 1.00 0.00 ATOM 108 CD1 LEU 24 -5.405 9.989 -1.512 1.00 0.00 ATOM 109 CD2 LEU 24 -4.013 8.022 -2.027 1.00 0.00 ATOM 110 O LEU 24 -7.569 10.159 -4.497 1.00 0.00 ATOM 111 C LEU 24 -7.755 8.954 -4.220 1.00 0.00 ATOM 112 N ARG 25 -7.864 8.019 -5.161 1.00 0.00 ATOM 113 CA ARG 25 -7.798 8.389 -6.597 1.00 0.00 ATOM 114 CB ARG 25 -7.939 7.145 -7.477 1.00 0.00 ATOM 115 CG ARG 25 -6.732 6.221 -7.444 1.00 0.00 ATOM 116 CD ARG 25 -6.968 4.974 -8.279 1.00 0.00 ATOM 117 NE ARG 25 -5.828 4.063 -8.237 1.00 0.00 ATOM 118 CZ ARG 25 -5.802 2.869 -8.820 1.00 0.00 ATOM 119 NH1 ARG 25 -4.720 2.107 -8.727 1.00 0.00 ATOM 120 NH2 ARG 25 -6.859 2.438 -9.494 1.00 0.00 ATOM 121 O ARG 25 -8.694 10.323 -7.621 1.00 0.00 ATOM 122 C ARG 25 -8.931 9.358 -6.921 1.00 0.00 ATOM 123 N ARG 26 -10.128 9.125 -6.373 1.00 0.00 ATOM 124 CA ARG 26 -11.253 10.093 -6.511 1.00 0.00 ATOM 125 CB ARG 26 -12.489 9.588 -5.764 1.00 0.00 ATOM 126 CG ARG 26 -13.159 8.388 -6.413 1.00 0.00 ATOM 127 CD ARG 26 -14.349 7.911 -5.596 1.00 0.00 ATOM 128 NE ARG 26 -14.975 6.727 -6.181 1.00 0.00 ATOM 129 CZ ARG 26 -15.998 6.077 -5.635 1.00 0.00 ATOM 130 NH1 ARG 26 -16.503 5.009 -6.239 1.00 0.00 ATOM 131 NH2 ARG 26 -16.515 6.497 -4.488 1.00 0.00 ATOM 132 O ARG 26 -11.125 12.498 -6.627 1.00 0.00 ATOM 133 C ARG 26 -10.924 11.480 -5.949 1.00 0.00 ATOM 134 N GLU 27 -10.382 11.538 -4.727 1.00 0.00 ATOM 135 CA GLU 27 -10.081 12.852 -4.144 1.00 0.00 ATOM 136 CB GLU 27 -9.716 12.710 -2.665 1.00 0.00 ATOM 137 CG GLU 27 -10.834 12.146 -1.802 1.00 0.00 ATOM 138 CD GLU 27 -10.395 11.892 -0.373 1.00 0.00 ATOM 139 OE1 GLU 27 -9.209 12.134 -0.064 1.00 0.00 ATOM 140 OE2 GLU 27 -11.236 11.450 0.437 1.00 0.00 ATOM 141 O GLU 27 -8.875 14.810 -4.706 1.00 0.00 ATOM 142 C GLU 27 -8.930 13.571 -4.799 1.00 0.00 ATOM 146 N ALA 30 -8.632 15.694 -9.629 1.00 0.00 ATOM 147 CA ALA 30 -8.548 17.055 -10.204 1.00 0.00 ATOM 148 CB ALA 30 -8.979 18.092 -9.177 1.00 0.00 ATOM 149 O ALA 30 -6.858 18.300 -11.397 1.00 0.00 ATOM 150 C ALA 30 -7.114 17.355 -10.631 1.00 0.00 ATOM 151 N ASP 31 -6.178 16.562 -10.122 1.00 0.00 ATOM 152 CA ASP 31 -4.753 16.904 -10.317 1.00 0.00 ATOM 153 CB ASP 31 -3.898 16.299 -9.202 1.00 0.00 ATOM 154 CG ASP 31 -4.233 16.869 -7.837 1.00 0.00 ATOM 155 OD1 ASP 31 -4.325 18.109 -7.718 1.00 0.00 ATOM 156 OD2 ASP 31 -4.403 16.075 -6.888 1.00 0.00 ATOM 157 O ASP 31 -3.096 16.698 -12.031 1.00 0.00 ATOM 158 C ASP 31 -4.228 16.377 -11.648 1.00 0.00 ATOM 159 N PRO 32 -5.050 15.584 -12.330 1.00 0.00 ATOM 160 CA PRO 32 -4.676 15.017 -13.673 1.00 0.00 ATOM 161 CB PRO 32 -4.317 16.247 -14.509 1.00 0.00 ATOM 162 CG PRO 32 -3.807 17.237 -13.515 1.00 0.00 ATOM 163 CD PRO 32 -4.608 17.021 -12.261 1.00 0.00 ATOM 164 O PRO 32 -2.745 13.855 -14.564 1.00 0.00 ATOM 165 C PRO 32 -3.494 14.055 -13.589 1.00 0.00 ATOM 169 N LEU 38 0.214 9.680 -9.045 1.00 0.00 ATOM 170 CA LEU 38 0.176 10.386 -7.764 1.00 0.00 ATOM 171 CB LEU 38 -1.267 10.726 -7.382 1.00 0.00 ATOM 172 CG LEU 38 -1.968 11.773 -8.247 1.00 0.00 ATOM 173 CD1 LEU 38 -3.436 11.891 -7.865 1.00 0.00 ATOM 174 CD2 LEU 38 -1.319 13.139 -8.070 1.00 0.00 ATOM 175 O LEU 38 1.286 10.110 -5.621 1.00 0.00 ATOM 176 C LEU 38 0.778 9.542 -6.610 1.00 0.00 ATOM 177 N VAL 39 0.727 8.227 -6.774 1.00 0.00 ATOM 178 CA VAL 39 1.216 7.249 -5.781 1.00 0.00 ATOM 179 CB VAL 39 0.647 5.842 -6.049 1.00 0.00 ATOM 180 CG1 VAL 39 1.264 4.829 -5.098 1.00 0.00 ATOM 181 CG2 VAL 39 -0.861 5.831 -5.851 1.00 0.00 ATOM 182 O VAL 39 3.368 6.852 -4.770 1.00 0.00 ATOM 183 C VAL 39 2.759 7.113 -5.785 1.00 0.00 ATOM 184 N VAL 40 3.362 7.324 -6.952 1.00 0.00 ATOM 185 CA VAL 40 4.792 7.540 -7.072 1.00 0.00 ATOM 186 CB VAL 40 5.219 7.689 -8.545 1.00 0.00 ATOM 187 CG1 VAL 40 6.677 8.111 -8.637 1.00 0.00 ATOM 188 CG2 VAL 40 5.053 6.369 -9.283 1.00 0.00 ATOM 189 O VAL 40 6.118 8.752 -5.515 1.00 0.00 ATOM 190 C VAL 40 5.217 8.823 -6.330 1.00 0.00 ATOM 191 N LEU 41 4.552 9.982 -6.595 1.00 0.00 ATOM 192 CA LEU 41 4.774 11.241 -5.903 1.00 0.00 ATOM 193 CB LEU 41 3.766 12.294 -6.370 1.00 0.00 ATOM 194 CG LEU 41 3.941 12.815 -7.797 1.00 0.00 ATOM 195 CD1 LEU 41 2.783 13.722 -8.185 1.00 0.00 ATOM 196 CD2 LEU 41 5.232 13.609 -7.926 1.00 0.00 ATOM 197 O LEU 41 5.442 11.529 -3.630 1.00 0.00 ATOM 198 C LEU 41 4.622 11.073 -4.412 1.00 0.00 ATOM 199 N GLY 42 3.568 10.352 -4.020 1.00 0.00 ATOM 200 CA GLY 42 3.310 10.245 -2.581 1.00 0.00 ATOM 201 O GLY 42 4.980 9.930 -0.925 1.00 0.00 ATOM 202 C GLY 42 4.472 9.498 -1.952 1.00 0.00 ATOM 203 N ALA 43 4.929 8.415 -2.584 1.00 0.00 ATOM 204 CA ALA 43 6.017 7.641 -2.033 1.00 0.00 ATOM 205 CB ALA 43 6.219 6.363 -2.833 1.00 0.00 ATOM 206 O ALA 43 8.160 8.273 -1.095 1.00 0.00 ATOM 207 C ALA 43 7.360 8.387 -2.035 1.00 0.00 ATOM 208 N ILE 44 7.588 9.205 -3.063 1.00 0.00 ATOM 209 CA ILE 44 8.758 10.063 -3.062 1.00 0.00 ATOM 210 CB ILE 44 8.873 10.864 -4.372 1.00 0.00 ATOM 211 CG1 ILE 44 9.175 9.928 -5.544 1.00 0.00 ATOM 212 CG2 ILE 44 9.992 11.889 -4.274 1.00 0.00 ATOM 213 CD1 ILE 44 9.042 10.584 -6.901 1.00 0.00 ATOM 214 O ILE 44 9.737 11.387 -1.329 1.00 0.00 ATOM 215 C ILE 44 8.710 11.058 -1.929 1.00 0.00 ATOM 216 N ASP 45 7.530 11.581 -1.657 1.00 0.00 ATOM 217 CA ASP 45 7.373 12.603 -0.635 1.00 0.00 ATOM 218 CB ASP 45 5.942 13.143 -0.634 1.00 0.00 ATOM 219 CG ASP 45 5.602 13.894 -1.907 1.00 0.00 ATOM 220 OD1 ASP 45 6.403 14.759 -2.319 1.00 0.00 ATOM 221 OD2 ASP 45 4.534 13.615 -2.492 1.00 0.00 ATOM 222 O ASP 45 8.074 12.732 1.674 1.00 0.00 ATOM 223 C ASP 45 7.677 12.003 0.735 1.00 0.00 ATOM 224 N ARG 46 7.411 10.712 0.850 1.00 0.00 ATOM 225 CA ARG 46 7.435 10.056 2.175 1.00 0.00 ATOM 226 CB ARG 46 6.403 8.929 2.235 1.00 0.00 ATOM 227 CG ARG 46 4.963 9.398 2.111 1.00 0.00 ATOM 228 CD ARG 46 3.994 8.227 2.161 1.00 0.00 ATOM 229 NE ARG 46 2.606 8.661 2.025 1.00 0.00 ATOM 230 CZ ARG 46 1.584 7.838 1.810 1.00 0.00 ATOM 231 NH1 ARG 46 0.354 8.322 1.701 1.00 0.00 ATOM 232 NH2 ARG 46 1.795 6.534 1.707 1.00 0.00 ATOM 233 O ARG 46 8.936 9.129 3.776 1.00 0.00 ATOM 234 C ARG 46 8.732 9.426 2.587 1.00 0.00 ATOM 235 N LEU 47 9.604 9.169 1.634 1.00 0.00 ATOM 236 CA LEU 47 10.906 8.691 2.062 1.00 0.00 ATOM 237 CB LEU 47 11.408 7.594 1.121 1.00 0.00 ATOM 238 CG LEU 47 10.527 6.350 0.998 1.00 0.00 ATOM 239 CD1 LEU 47 11.103 5.381 -0.023 1.00 0.00 ATOM 240 CD2 LEU 47 10.426 5.628 2.333 1.00 0.00 ATOM 241 O LEU 47 11.848 10.752 1.318 1.00 0.00 ATOM 242 C LEU 47 11.954 9.782 2.080 1.00 0.00 ATOM 243 N GLY 48 12.904 9.748 3.024 1.00 0.00 ATOM 244 CA GLY 48 13.904 10.853 2.977 1.00 0.00 ATOM 245 O GLY 48 15.508 11.580 1.338 1.00 0.00 ATOM 246 C GLY 48 15.008 10.621 1.949 1.00 0.00 ATOM 247 N GLY 49 15.385 9.355 1.775 1.00 0.00 ATOM 248 CA GLY 49 16.327 9.003 0.717 1.00 0.00 ATOM 249 O GLY 49 14.443 9.046 -0.751 1.00 0.00 ATOM 250 C GLY 49 15.655 9.150 -0.645 1.00 0.00 ATOM 251 N ASP 50 16.473 9.404 -1.663 1.00 0.00 ATOM 252 CA ASP 50 16.026 9.418 -3.040 1.00 0.00 ATOM 253 CB ASP 50 16.866 10.394 -3.867 1.00 0.00 ATOM 254 CG ASP 50 16.651 11.839 -3.459 1.00 0.00 ATOM 255 OD1 ASP 50 15.480 12.239 -3.289 1.00 0.00 ATOM 256 OD2 ASP 50 17.652 12.570 -3.312 1.00 0.00 ATOM 257 O ASP 50 17.314 7.503 -3.536 1.00 0.00 ATOM 258 C ASP 50 16.192 8.010 -3.552 1.00 0.00 ATOM 259 N VAL 51 15.085 7.342 -3.972 1.00 0.00 ATOM 260 CA VAL 51 15.180 5.936 -4.344 1.00 0.00 ATOM 261 CB VAL 51 13.799 5.255 -4.338 1.00 0.00 ATOM 262 CG1 VAL 51 13.170 5.336 -2.956 1.00 0.00 ATOM 263 CG2 VAL 51 12.867 5.935 -5.330 1.00 0.00 ATOM 264 O VAL 51 15.728 6.615 -6.594 1.00 0.00 ATOM 265 C VAL 51 15.760 5.725 -5.729 1.00 0.00 ATOM 266 N THR 52 16.266 4.534 -5.973 1.00 0.00 ATOM 267 CA THR 52 16.551 4.171 -7.353 1.00 0.00 ATOM 268 CB THR 52 17.540 2.993 -7.434 1.00 0.00 ATOM 269 CG2 THR 52 18.832 3.332 -6.709 1.00 0.00 ATOM 270 OG1 THR 52 16.956 1.833 -6.828 1.00 0.00 ATOM 271 O THR 52 14.230 3.645 -7.237 1.00 0.00 ATOM 272 C THR 52 15.197 3.780 -7.960 1.00 0.00 ATOM 273 N PRO 53 15.163 3.533 -9.270 1.00 0.00 ATOM 274 CA PRO 53 13.936 3.074 -9.953 1.00 0.00 ATOM 275 CB PRO 53 14.356 2.945 -11.419 1.00 0.00 ATOM 276 CG PRO 53 15.462 3.933 -11.580 1.00 0.00 ATOM 277 CD PRO 53 16.254 3.882 -10.304 1.00 0.00 ATOM 278 O PRO 53 12.264 1.543 -9.189 1.00 0.00 ATOM 279 C PRO 53 13.459 1.748 -9.396 1.00 0.00 ATOM 280 N SER 54 14.420 0.869 -9.127 1.00 0.00 ATOM 281 CA SER 54 14.179 -0.440 -8.519 1.00 0.00 ATOM 282 CB SER 54 15.495 -1.200 -8.342 1.00 0.00 ATOM 283 OG SER 54 16.069 -1.524 -9.596 1.00 0.00 ATOM 284 O SER 54 12.630 -1.126 -6.815 1.00 0.00 ATOM 285 C SER 54 13.521 -0.351 -7.131 1.00 0.00 ATOM 286 N GLU 55 13.952 0.611 -6.319 1.00 0.00 ATOM 287 CA GLU 55 13.402 0.793 -4.985 1.00 0.00 ATOM 288 CB GLU 55 14.252 1.783 -4.186 1.00 0.00 ATOM 289 CG GLU 55 15.622 1.250 -3.797 1.00 0.00 ATOM 290 CD GLU 55 16.481 2.296 -3.115 1.00 0.00 ATOM 291 OE1 GLU 55 16.034 3.457 -3.011 1.00 0.00 ATOM 292 OE2 GLU 55 17.603 1.954 -2.685 1.00 0.00 ATOM 293 O GLU 55 11.059 0.908 -4.319 1.00 0.00 ATOM 294 C GLU 55 11.968 1.340 -5.043 1.00 0.00 ATOM 295 N LEU 56 11.760 2.270 -5.966 1.00 0.00 ATOM 296 CA LEU 56 10.470 2.937 -6.087 1.00 0.00 ATOM 297 CB LEU 56 10.571 4.128 -7.041 1.00 0.00 ATOM 298 CG LEU 56 9.292 4.944 -7.243 1.00 0.00 ATOM 299 CD1 LEU 56 8.822 5.542 -5.925 1.00 0.00 ATOM 300 CD2 LEU 56 9.532 6.084 -8.222 1.00 0.00 ATOM 301 O LEU 56 8.249 2.035 -6.209 1.00 0.00 ATOM 302 C LEU 56 9.397 1.983 -6.629 1.00 0.00 ATOM 303 N ALA 57 9.794 1.114 -7.545 1.00 0.00 ATOM 304 CA ALA 57 8.894 0.164 -8.167 1.00 0.00 ATOM 305 CB ALA 57 9.613 -0.608 -9.263 1.00 0.00 ATOM 306 O ALA 57 7.195 -1.013 -6.906 1.00 0.00 ATOM 307 C ALA 57 8.404 -0.813 -7.081 1.00 0.00 ATOM 308 N ALA 58 9.360 -1.372 -6.333 1.00 0.00 ATOM 309 CA ALA 58 9.081 -2.179 -5.140 1.00 0.00 ATOM 310 CB ALA 58 10.329 -2.302 -4.280 1.00 0.00 ATOM 311 O ALA 58 6.921 -2.160 -4.115 1.00 0.00 ATOM 312 C ALA 58 7.985 -1.553 -4.295 1.00 0.00 ATOM 313 N ALA 59 8.195 -0.326 -3.831 1.00 0.00 ATOM 314 CA ALA 59 7.294 0.246 -2.841 1.00 0.00 ATOM 315 CB ALA 59 7.945 1.437 -2.155 1.00 0.00 ATOM 316 O ALA 59 4.961 0.722 -2.658 1.00 0.00 ATOM 317 C ALA 59 5.962 0.755 -3.379 1.00 0.00 ATOM 321 N ARG 63 5.749 -3.109 -11.692 1.00 0.00 ATOM 322 CA ARG 63 6.921 -3.591 -12.449 1.00 0.00 ATOM 323 CB ARG 63 6.475 -4.387 -13.676 1.00 0.00 ATOM 324 CG ARG 63 5.840 -5.729 -13.350 1.00 0.00 ATOM 325 CD ARG 63 5.345 -6.426 -14.607 1.00 0.00 ATOM 326 NE ARG 63 4.221 -5.718 -15.219 1.00 0.00 ATOM 327 CZ ARG 63 3.712 -6.016 -16.410 1.00 0.00 ATOM 328 NH1 ARG 63 2.690 -5.317 -16.886 1.00 0.00 ATOM 329 NH2 ARG 63 4.225 -7.009 -17.122 1.00 0.00 ATOM 330 O ARG 63 7.213 -1.314 -13.109 1.00 0.00 ATOM 331 C ARG 63 7.758 -2.399 -12.907 1.00 0.00 ATOM 332 N SER 64 9.062 -2.614 -13.089 1.00 0.00 ATOM 333 CA SER 64 9.990 -1.576 -13.537 1.00 0.00 ATOM 334 CB SER 64 11.372 -2.174 -13.804 1.00 0.00 ATOM 335 OG SER 64 12.274 -1.184 -14.271 1.00 0.00 ATOM 336 O SER 64 9.613 0.400 -14.804 1.00 0.00 ATOM 337 C SER 64 9.632 -0.829 -14.813 1.00 0.00 ATOM 338 N SER 65 9.420 -1.554 -15.927 1.00 0.00 ATOM 339 CA SER 65 8.906 -0.931 -17.168 1.00 0.00 ATOM 340 CB SER 65 8.579 -2.001 -18.210 1.00 0.00 ATOM 341 OG SER 65 7.529 -2.844 -17.764 1.00 0.00 ATOM 342 O SER 65 7.428 0.889 -17.779 1.00 0.00 ATOM 343 C SER 65 7.615 -0.085 -17.035 1.00 0.00 ATOM 344 N ASN 66 6.712 -0.505 -16.149 1.00 0.00 ATOM 345 CA ASN 66 5.546 0.284 -15.849 1.00 0.00 ATOM 346 CB ASN 66 4.602 -0.485 -14.924 1.00 0.00 ATOM 347 CG ASN 66 3.885 -1.618 -15.632 1.00 0.00 ATOM 348 ND2 ASN 66 3.396 -2.582 -14.861 1.00 0.00 ATOM 349 OD1 ASN 66 3.775 -1.624 -16.858 1.00 0.00 ATOM 350 O ASN 66 5.544 2.635 -15.568 1.00 0.00 ATOM 351 C ASN 66 5.981 1.553 -15.172 1.00 0.00 ATOM 352 N LEU 67 6.849 1.444 -14.162 1.00 0.00 ATOM 353 CA LEU 67 7.300 2.678 -13.478 1.00 0.00 ATOM 354 CB LEU 67 8.284 2.339 -12.357 1.00 0.00 ATOM 355 CG LEU 67 8.823 3.520 -11.549 1.00 0.00 ATOM 356 CD1 LEU 67 7.691 4.251 -10.843 1.00 0.00 ATOM 357 CD2 LEU 67 9.811 3.045 -10.494 1.00 0.00 ATOM 358 O LEU 67 7.873 4.808 -14.389 1.00 0.00 ATOM 359 C LEU 67 8.006 3.622 -14.496 1.00 0.00 ATOM 360 N ALA 68 8.787 3.096 -15.428 1.00 0.00 ATOM 361 CA ALA 68 9.519 3.973 -16.364 1.00 0.00 ATOM 362 CB ALA 68 10.265 3.141 -17.396 1.00 0.00 ATOM 363 O ALA 68 8.855 6.071 -17.238 1.00 0.00 ATOM 364 C ALA 68 8.550 4.903 -17.101 1.00 0.00 ATOM 365 N ALA 69 7.420 4.355 -17.557 1.00 0.00 ATOM 366 CA ALA 69 6.344 5.163 -18.184 1.00 0.00 ATOM 367 CB ALA 69 5.208 4.264 -18.647 1.00 0.00 ATOM 368 O ALA 69 5.546 7.324 -17.685 1.00 0.00 ATOM 369 C ALA 69 5.736 6.190 -17.263 1.00 0.00 ATOM 370 N LEU 70 5.364 5.785 -16.023 1.00 0.00 ATOM 371 CA LEU 70 4.881 6.686 -14.999 1.00 0.00 ATOM 372 CB LEU 70 4.685 5.940 -13.678 1.00 0.00 ATOM 373 CG LEU 70 3.514 4.957 -13.622 1.00 0.00 ATOM 374 CD1 LEU 70 3.548 4.154 -12.332 1.00 0.00 ATOM 375 CD2 LEU 70 2.186 5.698 -13.686 1.00 0.00 ATOM 376 O LEU 70 5.450 8.956 -14.747 1.00 0.00 ATOM 377 C LEU 70 5.856 7.804 -14.768 1.00 0.00 ATOM 378 N LEU 71 7.146 7.443 -14.672 1.00 0.00 ATOM 379 CA LEU 71 8.170 8.447 -14.394 1.00 0.00 ATOM 380 CB LEU 71 9.529 7.780 -14.173 1.00 0.00 ATOM 381 CG LEU 71 9.676 6.950 -12.896 1.00 0.00 ATOM 382 CD1 LEU 71 11.001 6.203 -12.889 1.00 0.00 ATOM 383 CD2 LEU 71 9.627 7.844 -11.666 1.00 0.00 ATOM 384 O LEU 71 8.477 10.607 -15.371 1.00 0.00 ATOM 385 C LEU 71 8.278 9.426 -15.603 1.00 0.00 ATOM 386 N ARG 72 8.189 8.916 -16.842 1.00 0.00 ATOM 387 CA ARG 72 8.266 9.818 -18.046 1.00 0.00 ATOM 388 CB ARG 72 8.055 9.015 -19.331 1.00 0.00 ATOM 389 CG ARG 72 9.214 8.097 -19.687 1.00 0.00 ATOM 390 CD ARG 72 8.908 7.278 -20.930 1.00 0.00 ATOM 391 NE ARG 72 10.001 6.369 -21.269 1.00 0.00 ATOM 392 CZ ARG 72 9.960 5.492 -22.265 1.00 0.00 ATOM 393 NH1 ARG 72 11.002 4.705 -22.500 1.00 0.00 ATOM 394 NH2 ARG 72 8.877 5.402 -23.026 1.00 0.00 ATOM 395 O ARG 72 7.388 12.081 -18.173 1.00 0.00 ATOM 396 C ARG 72 7.171 10.893 -17.936 1.00 0.00 ATOM 397 N GLU 73 5.978 10.454 -17.547 1.00 0.00 ATOM 398 CA GLU 73 4.888 11.363 -17.298 1.00 0.00 ATOM 399 CB GLU 73 3.662 10.603 -16.785 1.00 0.00 ATOM 400 CG GLU 73 2.447 11.479 -16.538 1.00 0.00 ATOM 401 CD GLU 73 1.244 10.688 -16.065 1.00 0.00 ATOM 402 OE1 GLU 73 1.358 9.450 -15.942 1.00 0.00 ATOM 403 OE2 GLU 73 0.187 11.305 -15.816 1.00 0.00 ATOM 404 O GLU 73 5.013 13.598 -16.535 1.00 0.00 ATOM 405 C GLU 73 5.197 12.426 -16.270 1.00 0.00 ATOM 406 N LEU 74 5.711 12.034 -15.109 1.00 0.00 ATOM 407 CA LEU 74 5.946 12.975 -14.071 1.00 0.00 ATOM 408 CB LEU 74 6.313 12.258 -12.770 1.00 0.00 ATOM 409 CG LEU 74 5.197 11.456 -12.099 1.00 0.00 ATOM 410 CD1 LEU 74 5.739 10.655 -10.926 1.00 0.00 ATOM 411 CD2 LEU 74 4.108 12.383 -11.580 1.00 0.00 ATOM 412 O LEU 74 7.120 15.069 -14.159 1.00 0.00 ATOM 413 C LEU 74 7.125 13.924 -14.473 1.00 0.00 ATOM 414 N GLU 75 8.116 13.346 -15.130 1.00 0.00 ATOM 415 CA GLU 75 9.339 14.102 -15.547 1.00 0.00 ATOM 416 CB GLU 75 10.382 13.150 -16.139 1.00 0.00 ATOM 417 CG GLU 75 11.686 13.825 -16.531 1.00 0.00 ATOM 418 CD GLU 75 12.714 12.843 -17.059 1.00 0.00 ATOM 419 OE1 GLU 75 12.408 11.634 -17.108 1.00 0.00 ATOM 420 OE2 GLU 75 13.824 13.284 -17.422 1.00 0.00 ATOM 421 O GLU 75 9.397 16.349 -16.608 1.00 0.00 ATOM 422 C GLU 75 8.946 15.154 -16.617 1.00 0.00 ATOM 423 N ARG 76 8.076 14.720 -17.536 1.00 0.00 ATOM 424 CA ARG 76 7.512 15.647 -18.536 1.00 0.00 ATOM 425 CB ARG 76 6.467 14.935 -19.397 1.00 0.00 ATOM 426 CG ARG 76 7.047 13.914 -20.362 1.00 0.00 ATOM 427 CD ARG 76 5.951 13.186 -21.121 1.00 0.00 ATOM 428 NE ARG 76 6.492 12.183 -22.037 1.00 0.00 ATOM 429 CZ ARG 76 5.749 11.334 -22.738 1.00 0.00 ATOM 430 NH1 ARG 76 6.329 10.457 -23.546 1.00 0.00 ATOM 431 NH2 ARG 76 4.428 11.364 -22.632 1.00 0.00 ATOM 432 O ARG 76 6.851 17.968 -18.496 1.00 0.00 ATOM 433 C ARG 76 6.818 16.873 -17.926 1.00 0.00 ATOM 434 N GLY 77 6.226 16.683 -16.750 1.00 0.00 ATOM 435 CA GLY 77 5.510 17.731 -16.028 1.00 0.00 ATOM 436 O GLY 77 6.048 19.400 -14.308 1.00 0.00 ATOM 437 C GLY 77 6.466 18.495 -15.065 1.00 0.00 ATOM 438 N GLY 78 7.772 18.177 -15.114 1.00 0.00 ATOM 439 CA GLY 78 8.745 18.882 -14.288 1.00 0.00 ATOM 440 O GLY 78 9.021 19.380 -11.945 1.00 0.00 ATOM 441 C GLY 78 8.616 18.567 -12.781 1.00 0.00 ATOM 442 N LEU 79 8.050 17.408 -12.462 1.00 0.00 ATOM 443 CA LEU 79 7.799 17.021 -11.049 1.00 0.00 ATOM 444 CB LEU 79 6.504 16.214 -10.935 1.00 0.00 ATOM 445 CG LEU 79 5.218 16.936 -11.342 1.00 0.00 ATOM 446 CD1 LEU 79 4.027 15.992 -11.272 1.00 0.00 ATOM 447 CD2 LEU 79 4.946 18.112 -10.416 1.00 0.00 ATOM 448 O LEU 79 9.169 16.121 -9.221 1.00 0.00 ATOM 449 C LEU 79 8.932 16.159 -10.469 1.00 0.00 ATOM 450 N ILE 80 9.604 15.405 -11.345 1.00 0.00 ATOM 451 CA ILE 80 10.739 14.617 -10.909 1.00 0.00 ATOM 452 CB ILE 80 10.413 13.112 -10.907 1.00 0.00 ATOM 453 CG1 ILE 80 10.037 12.644 -12.315 1.00 0.00 ATOM 454 CG2 ILE 80 9.246 12.821 -9.975 1.00 0.00 ATOM 455 CD1 ILE 80 9.904 11.144 -12.445 1.00 0.00 ATOM 456 O ILE 80 11.788 15.233 -12.957 1.00 0.00 ATOM 457 C ILE 80 11.952 14.815 -11.821 1.00 0.00 ATOM 458 N VAL 81 13.135 14.500 -11.291 1.00 0.00 ATOM 459 CA VAL 81 14.385 14.357 -12.076 1.00 0.00 ATOM 460 CB VAL 81 15.383 15.487 -11.759 1.00 0.00 ATOM 461 CG1 VAL 81 14.898 16.804 -12.344 1.00 0.00 ATOM 462 CG2 VAL 81 15.536 15.655 -10.254 1.00 0.00 ATOM 463 O VAL 81 14.779 12.465 -10.641 1.00 0.00 ATOM 464 C VAL 81 15.025 13.039 -11.739 1.00 0.00 ATOM 468 N ALA 84 22.211 11.664 -10.199 1.00 0.00 ATOM 469 CA ALA 84 23.221 10.990 -9.366 1.00 0.00 ATOM 470 CB ALA 84 24.589 11.065 -10.026 1.00 0.00 ATOM 471 O ALA 84 23.049 12.947 -7.999 1.00 0.00 ATOM 472 C ALA 84 23.219 11.723 -8.044 1.00 0.00 ATOM 473 N ASP 85 23.376 10.985 -6.955 1.00 0.00 ATOM 474 CA ASP 85 23.234 11.603 -5.640 1.00 0.00 ATOM 475 CB ASP 85 22.094 10.947 -4.860 1.00 0.00 ATOM 476 CG ASP 85 20.733 11.234 -5.466 1.00 0.00 ATOM 477 OD1 ASP 85 20.642 12.140 -6.321 1.00 0.00 ATOM 478 OD2 ASP 85 19.758 10.554 -5.083 1.00 0.00 ATOM 479 O ASP 85 24.538 12.121 -3.688 1.00 0.00 ATOM 480 C ASP 85 24.483 11.502 -4.743 1.00 0.00 ATOM 481 N PRO 86 25.472 10.715 -5.164 1.00 0.00 ATOM 482 CA PRO 86 26.727 10.617 -4.408 1.00 0.00 ATOM 483 CB PRO 86 26.471 9.483 -3.413 1.00 0.00 ATOM 484 CG PRO 86 24.989 9.460 -3.245 1.00 0.00 ATOM 485 CD PRO 86 24.413 9.786 -4.594 1.00 0.00 ATOM 486 O PRO 86 27.667 9.833 -6.468 1.00 0.00 ATOM 487 C PRO 86 27.880 10.299 -5.337 1.00 0.00 ATOM 488 N GLN 87 29.089 10.539 -4.824 1.00 0.00 ATOM 489 CA GLN 87 30.350 10.154 -5.449 1.00 0.00 ATOM 490 CB GLN 87 31.528 10.506 -4.540 1.00 0.00 ATOM 491 CG GLN 87 31.794 11.998 -4.418 1.00 0.00 ATOM 492 CD GLN 87 32.918 12.313 -3.449 1.00 0.00 ATOM 493 OE1 GLN 87 33.483 11.414 -2.828 1.00 0.00 ATOM 494 NE2 GLN 87 33.245 13.593 -3.321 1.00 0.00 ATOM 495 O GLN 87 31.090 8.189 -6.649 1.00 0.00 ATOM 496 C GLN 87 30.399 8.638 -5.726 1.00 0.00 ATOM 497 N ASP 88 29.645 7.874 -4.931 1.00 0.00 ATOM 498 CA ASP 88 29.513 6.397 -5.047 1.00 0.00 ATOM 499 CB ASP 88 30.098 5.708 -3.812 1.00 0.00 ATOM 500 CG ASP 88 29.365 6.078 -2.538 1.00 0.00 ATOM 501 OD1 ASP 88 28.420 6.892 -2.610 1.00 0.00 ATOM 502 OD2 ASP 88 29.736 5.553 -1.467 1.00 0.00 ATOM 503 O ASP 88 27.702 4.822 -4.837 1.00 0.00 ATOM 504 C ASP 88 28.057 5.960 -5.173 1.00 0.00 ATOM 505 N GLY 89 27.200 6.881 -5.617 1.00 0.00 ATOM 506 CA GLY 89 25.846 6.523 -6.038 1.00 0.00 ATOM 507 O GLY 89 24.968 8.371 -7.355 1.00 0.00 ATOM 508 C GLY 89 25.593 7.285 -7.322 1.00 0.00 ATOM 509 N ARG 90 26.103 6.666 -8.374 1.00 0.00 ATOM 510 CA ARG 90 26.169 7.223 -9.705 1.00 0.00 ATOM 511 CB ARG 90 27.432 6.744 -10.423 1.00 0.00 ATOM 512 CG ARG 90 28.727 7.222 -9.787 1.00 0.00 ATOM 513 CD ARG 90 29.939 6.696 -10.542 1.00 0.00 ATOM 514 NE ARG 90 31.193 7.131 -9.930 1.00 0.00 ATOM 515 CZ ARG 90 32.387 6.639 -10.245 1.00 0.00 ATOM 516 NH1 ARG 90 33.474 7.096 -9.637 1.00 0.00 ATOM 517 NH2 ARG 90 32.492 5.691 -11.167 1.00 0.00 ATOM 518 O ARG 90 24.761 7.458 -11.617 1.00 0.00 ATOM 519 C ARG 90 24.982 6.829 -10.572 1.00 0.00 ATOM 520 N ARG 91 24.263 5.772 -10.173 1.00 0.00 ATOM 521 CA ARG 91 23.013 5.381 -10.813 1.00 0.00 ATOM 522 CB ARG 91 22.441 4.127 -10.150 1.00 0.00 ATOM 523 CG ARG 91 23.263 2.870 -10.386 1.00 0.00 ATOM 524 CD ARG 91 22.692 1.686 -9.622 1.00 0.00 ATOM 525 NE ARG 91 22.786 1.870 -8.176 1.00 0.00 ATOM 526 CZ ARG 91 22.158 1.110 -7.284 1.00 0.00 ATOM 527 NH1 ARG 91 22.304 1.351 -5.989 1.00 0.00 ATOM 528 NH2 ARG 91 21.388 0.109 -7.690 1.00 0.00 ATOM 529 O ARG 91 22.213 7.447 -9.873 1.00 0.00 ATOM 530 C ARG 91 22.025 6.526 -10.672 1.00 0.00 ATOM 531 N THR 92 20.979 6.472 -11.469 1.00 0.00 ATOM 532 CA THR 92 19.994 7.526 -11.417 1.00 0.00 ATOM 533 CB THR 92 19.149 7.572 -12.704 1.00 0.00 ATOM 534 CG2 THR 92 18.112 8.682 -12.620 1.00 0.00 ATOM 535 OG1 THR 92 20.001 7.817 -13.830 1.00 0.00 ATOM 536 O THR 92 18.622 6.088 -9.991 1.00 0.00 ATOM 537 C THR 92 19.080 7.248 -10.213 1.00 0.00 ATOM 538 N ARG 93 18.881 8.305 -9.420 1.00 0.00 ATOM 539 CA ARG 93 17.965 8.297 -8.312 1.00 0.00 ATOM 540 CB ARG 93 18.677 8.719 -7.025 1.00 0.00 ATOM 541 CG ARG 93 19.835 7.818 -6.632 1.00 0.00 ATOM 542 CD ARG 93 19.348 6.433 -6.238 1.00 0.00 ATOM 543 NE ARG 93 20.410 5.630 -5.638 1.00 0.00 ATOM 544 CZ ARG 93 21.313 4.945 -6.333 1.00 0.00 ATOM 545 NH1 ARG 93 22.242 4.242 -5.700 1.00 0.00 ATOM 546 NH2 ARG 93 21.284 4.966 -7.658 1.00 0.00 ATOM 547 O ARG 93 17.066 10.230 -9.404 1.00 0.00 ATOM 548 C ARG 93 16.858 9.274 -8.636 1.00 0.00 ATOM 549 N VAL 94 15.673 8.999 -8.117 1.00 0.00 ATOM 550 CA VAL 94 14.528 9.804 -8.523 1.00 0.00 ATOM 551 CB VAL 94 13.253 8.950 -8.646 1.00 0.00 ATOM 552 CG1 VAL 94 12.065 9.818 -9.032 1.00 0.00 ATOM 553 CG2 VAL 94 13.432 7.878 -9.710 1.00 0.00 ATOM 554 O VAL 94 14.278 10.539 -6.293 1.00 0.00 ATOM 555 C VAL 94 14.351 10.845 -7.461 1.00 0.00 ATOM 556 N SER 95 14.350 12.098 -7.848 1.00 0.00 ATOM 557 CA SER 95 14.281 13.174 -6.906 1.00 0.00 ATOM 558 CB SER 95 15.569 13.999 -6.940 1.00 0.00 ATOM 559 OG SER 95 16.685 13.217 -6.550 1.00 0.00 ATOM 560 O SER 95 12.850 14.341 -8.473 1.00 0.00 ATOM 561 C SER 95 13.087 14.066 -7.287 1.00 0.00 ATOM 562 N LEU 96 12.379 14.579 -6.289 1.00 0.00 ATOM 563 CA LEU 96 11.377 15.604 -6.540 1.00 0.00 ATOM 564 CB LEU 96 10.470 15.775 -5.319 1.00 0.00 ATOM 565 CG LEU 96 9.610 14.568 -4.940 1.00 0.00 ATOM 566 CD1 LEU 96 8.853 14.832 -3.647 1.00 0.00 ATOM 567 CD2 LEU 96 8.594 14.267 -6.032 1.00 0.00 ATOM 568 O LEU 96 13.071 17.282 -6.298 1.00 0.00 ATOM 569 C LEU 96 12.002 16.943 -6.837 1.00 0.00 ATOM 570 N SER 97 11.267 17.745 -7.582 1.00 0.00 ATOM 571 CA SER 97 11.639 19.129 -7.828 1.00 0.00 ATOM 572 CB SER 97 11.308 19.525 -9.267 1.00 0.00 ATOM 573 OG SER 97 9.911 19.481 -9.500 1.00 0.00 ATOM 574 O SER 97 9.813 19.772 -6.382 1.00 0.00 ATOM 575 C SER 97 10.897 20.090 -6.896 1.00 0.00 ATOM 576 N SER 98 11.457 21.294 -6.698 1.00 0.00 ATOM 577 CA SER 98 10.776 22.393 -6.015 1.00 0.00 ATOM 578 CB SER 98 11.572 23.691 -6.161 1.00 0.00 ATOM 579 OG SER 98 12.820 23.603 -5.495 1.00 0.00 ATOM 580 O SER 98 8.435 22.837 -5.815 1.00 0.00 ATOM 581 C SER 98 9.367 22.641 -6.588 1.00 0.00 ATOM 582 N GLU 99 9.212 22.545 -7.910 1.00 0.00 ATOM 583 CA GLU 99 7.895 22.645 -8.535 1.00 0.00 ATOM 584 CB GLU 99 7.983 22.320 -10.026 1.00 0.00 ATOM 585 CG GLU 99 8.770 23.336 -10.839 1.00 0.00 ATOM 586 CD GLU 99 8.888 22.950 -12.299 1.00 0.00 ATOM 587 OE1 GLU 99 8.386 21.868 -12.671 1.00 0.00 ATOM 588 OE2 GLU 99 9.482 23.729 -13.074 1.00 0.00 ATOM 589 O GLU 99 5.736 22.012 -7.843 1.00 0.00 ATOM 590 C GLU 99 6.923 21.697 -7.916 1.00 0.00 ATOM 594 N ASN 103 2.361 20.694 -5.030 1.00 0.00 ATOM 595 CA ASN 103 1.599 19.539 -5.402 1.00 0.00 ATOM 596 CB ASN 103 2.170 18.908 -6.673 1.00 0.00 ATOM 597 CG ASN 103 1.876 19.728 -7.914 1.00 0.00 ATOM 598 ND2 ASN 103 2.642 19.491 -8.972 1.00 0.00 ATOM 599 OD1 ASN 103 0.971 20.562 -7.918 1.00 0.00 ATOM 600 O ASN 103 0.540 17.987 -3.913 1.00 0.00 ATOM 601 C ASN 103 1.610 18.467 -4.304 1.00 0.00 ATOM 602 N LEU 104 2.788 18.047 -3.867 1.00 0.00 ATOM 603 CA LEU 104 2.894 17.050 -2.788 1.00 0.00 ATOM 604 CB LEU 104 4.362 16.799 -2.434 1.00 0.00 ATOM 605 CG LEU 104 5.196 16.066 -3.484 1.00 0.00 ATOM 606 CD1 LEU 104 6.665 16.044 -3.086 1.00 0.00 ATOM 607 CD2 LEU 104 4.726 14.629 -3.640 1.00 0.00 ATOM 608 O LEU 104 1.535 16.695 -0.850 1.00 0.00 ATOM 609 C LEU 104 2.182 17.518 -1.534 1.00 0.00 ATOM 610 N TYR 105 2.313 18.801 -1.191 1.00 0.00 ATOM 611 CA TYR 105 1.568 19.280 -0.002 1.00 0.00 ATOM 612 CB TYR 105 1.739 20.792 0.165 1.00 0.00 ATOM 613 CG TYR 105 0.976 21.368 1.336 1.00 0.00 ATOM 614 CD1 TYR 105 1.470 21.262 2.630 1.00 0.00 ATOM 615 CD2 TYR 105 -0.237 22.017 1.143 1.00 0.00 ATOM 616 CE1 TYR 105 0.777 21.787 3.705 1.00 0.00 ATOM 617 CE2 TYR 105 -0.942 22.549 2.206 1.00 0.00 ATOM 618 CZ TYR 105 -0.424 22.428 3.495 1.00 0.00 ATOM 619 OH TYR 105 -1.114 22.951 4.564 1.00 0.00 ATOM 620 O TYR 105 -0.617 18.556 0.868 1.00 0.00 ATOM 621 C TYR 105 0.047 18.986 -0.117 1.00 0.00 ATOM 622 N GLY 106 -0.531 19.274 -1.289 1.00 0.00 ATOM 623 CA GLY 106 -1.916 19.007 -1.518 1.00 0.00 ATOM 624 O GLY 106 -3.240 17.155 -0.922 1.00 0.00 ATOM 625 C GLY 106 -2.246 17.523 -1.493 1.00 0.00 ATOM 626 N ASN 107 -1.435 16.706 -2.117 1.00 0.00 ATOM 627 CA ASN 107 -1.629 15.254 -2.109 1.00 0.00 ATOM 628 CB ASN 107 -0.544 14.562 -2.936 1.00 0.00 ATOM 629 CG ASN 107 -0.733 14.763 -4.427 1.00 0.00 ATOM 630 ND2 ASN 107 0.336 14.568 -5.190 1.00 0.00 ATOM 631 OD1 ASN 107 -1.830 15.088 -4.885 1.00 0.00 ATOM 632 O ASN 107 -2.433 13.878 -0.281 1.00 0.00 ATOM 633 C ASN 107 -1.568 14.682 -0.682 1.00 0.00 ATOM 634 N ARG 108 -0.594 15.137 0.111 1.00 0.00 ATOM 635 CA ARG 108 -0.553 14.647 1.496 1.00 0.00 ATOM 636 CB ARG 108 0.697 15.164 2.211 1.00 0.00 ATOM 637 CG ARG 108 1.993 14.530 1.731 1.00 0.00 ATOM 638 CD ARG 108 3.198 15.143 2.424 1.00 0.00 ATOM 639 NE ARG 108 4.452 14.548 1.970 1.00 0.00 ATOM 640 CZ ARG 108 5.656 14.955 2.359 1.00 0.00 ATOM 641 NH1 ARG 108 6.741 14.354 1.892 1.00 0.00 ATOM 642 NH2 ARG 108 5.772 15.963 3.212 1.00 0.00 ATOM 643 O ARG 108 -2.267 14.321 3.113 1.00 0.00 ATOM 644 C ARG 108 -1.759 15.095 2.314 1.00 0.00 ATOM 645 N ALA 109 -2.204 16.324 2.119 1.00 0.00 ATOM 646 CA ALA 109 -3.334 16.830 2.869 1.00 0.00 ATOM 647 CB ALA 109 -3.598 18.285 2.512 1.00 0.00 ATOM 648 O ALA 109 -5.358 15.540 3.353 1.00 0.00 ATOM 649 C ALA 109 -4.556 15.958 2.495 1.00 0.00 ATOM 650 N LYS 110 -4.674 15.674 1.200 1.00 0.00 ATOM 651 CA LYS 110 -5.868 14.874 0.767 1.00 0.00 ATOM 652 CB LYS 110 -5.973 14.855 -0.759 1.00 0.00 ATOM 653 CG LYS 110 -6.367 16.189 -1.370 1.00 0.00 ATOM 654 CD LYS 110 -6.459 16.097 -2.886 1.00 0.00 ATOM 655 CE LYS 110 -6.818 17.440 -3.499 1.00 0.00 ATOM 656 NZ LYS 110 -6.889 17.371 -4.986 1.00 0.00 ATOM 657 O LYS 110 -6.747 12.861 1.732 1.00 0.00 ATOM 658 C LYS 110 -5.758 13.426 1.261 1.00 0.00 ATOM 659 N ARG 111 -4.549 12.853 1.241 1.00 0.00 ATOM 660 CA ARG 111 -4.339 11.495 1.757 1.00 0.00 ATOM 661 CB ARG 111 -2.893 11.052 1.525 1.00 0.00 ATOM 662 CG ARG 111 -2.557 10.764 0.071 1.00 0.00 ATOM 663 CD ARG 111 -1.219 10.055 -0.056 1.00 0.00 ATOM 664 NE ARG 111 -0.110 10.895 0.391 1.00 0.00 ATOM 665 CZ ARG 111 0.531 11.760 -0.389 1.00 0.00 ATOM 666 NH1 ARG 111 1.528 12.482 0.104 1.00 0.00 ATOM 667 NH2 ARG 111 0.172 11.903 -1.657 1.00 0.00 ATOM 668 O ARG 111 -5.284 10.488 3.766 1.00 0.00 ATOM 669 C ARG 111 -4.638 11.445 3.305 1.00 0.00 ATOM 670 N GLU 112 -4.247 12.489 4.040 1.00 0.00 ATOM 671 CA GLU 112 -4.631 12.606 5.457 1.00 0.00 ATOM 672 CB GLU 112 -4.032 13.873 6.072 1.00 0.00 ATOM 673 CG GLU 112 -2.525 13.820 6.262 1.00 0.00 ATOM 674 CD GLU 112 -1.954 15.133 6.755 1.00 0.00 ATOM 675 OE1 GLU 112 -2.725 16.108 6.879 1.00 0.00 ATOM 676 OE2 GLU 112 -0.734 15.190 7.019 1.00 0.00 ATOM 677 O GLU 112 -6.668 12.036 6.560 1.00 0.00 ATOM 678 C GLU 112 -6.137 12.675 5.639 1.00 0.00 ATOM 679 N GLU 113 -6.829 13.395 4.769 1.00 0.00 ATOM 680 CA GLU 113 -8.288 13.453 4.856 1.00 0.00 ATOM 681 CB GLU 113 -8.855 14.369 3.771 1.00 0.00 ATOM 682 CG GLU 113 -10.366 14.525 3.815 1.00 0.00 ATOM 683 CD GLU 113 -10.886 15.467 2.747 1.00 0.00 ATOM 684 OE1 GLU 113 -10.063 16.007 1.979 1.00 0.00 ATOM 685 OE2 GLU 113 -12.118 15.662 2.678 1.00 0.00 ATOM 686 O GLU 113 -9.823 11.628 5.409 1.00 0.00 ATOM 687 C GLU 113 -8.925 12.044 4.674 1.00 0.00 ATOM 688 N TRP 114 -8.472 11.318 3.663 1.00 0.00 ATOM 689 CA TRP 114 -9.049 9.979 3.408 1.00 0.00 ATOM 690 CB TRP 114 -8.410 9.347 2.168 1.00 0.00 ATOM 691 CG TRP 114 -6.972 8.973 2.360 1.00 0.00 ATOM 692 CD1 TRP 114 -5.882 9.760 2.123 1.00 0.00 ATOM 693 CD2 TRP 114 -6.467 7.717 2.827 1.00 0.00 ATOM 694 CE2 TRP 114 -5.061 7.814 2.849 1.00 0.00 ATOM 695 CE3 TRP 114 -7.065 6.518 3.229 1.00 0.00 ATOM 696 NE1 TRP 114 -4.729 9.073 2.415 1.00 0.00 ATOM 697 CZ2 TRP 114 -4.246 6.762 3.258 1.00 0.00 ATOM 698 CZ3 TRP 114 -6.252 5.476 3.633 1.00 0.00 ATOM 699 CH2 TRP 114 -4.859 5.601 3.645 1.00 0.00 ATOM 700 O TRP 114 -9.623 8.366 5.101 1.00 0.00 ATOM 701 C TRP 114 -8.763 9.106 4.655 1.00 0.00 ATOM 702 N LEU 115 -7.539 9.198 5.180 1.00 0.00 ATOM 703 CA LEU 115 -7.129 8.356 6.372 1.00 0.00 ATOM 704 CB LEU 115 -5.672 8.634 6.749 1.00 0.00 ATOM 705 CG LEU 115 -5.124 7.863 7.951 1.00 0.00 ATOM 706 CD1 LEU 115 -5.153 6.366 7.689 1.00 0.00 ATOM 707 CD2 LEU 115 -3.685 8.266 8.238 1.00 0.00 ATOM 708 O LEU 115 -8.619 7.779 8.141 1.00 0.00 ATOM 709 C LEU 115 -8.014 8.690 7.547 1.00 0.00 ATOM 710 N VAL 116 -8.185 9.976 7.829 1.00 0.00 ATOM 711 CA VAL 116 -9.152 10.403 8.870 1.00 0.00 ATOM 712 CB VAL 116 -9.329 11.933 8.882 1.00 0.00 ATOM 713 CG1 VAL 116 -10.473 12.328 9.803 1.00 0.00 ATOM 714 CG2 VAL 116 -8.060 12.612 9.372 1.00 0.00 ATOM 715 O VAL 116 -11.198 9.249 9.583 1.00 0.00 ATOM 716 C VAL 116 -10.547 9.796 8.661 1.00 0.00 ATOM 717 N ARG 117 -11.083 9.926 7.454 1.00 0.00 ATOM 718 CA ARG 117 -12.421 9.493 7.258 1.00 0.00 ATOM 719 CB ARG 117 -12.946 9.970 5.904 1.00 0.00 ATOM 720 CG ARG 117 -13.204 11.466 5.829 1.00 0.00 ATOM 721 CD ARG 117 -13.648 11.883 4.437 1.00 0.00 ATOM 722 NE ARG 117 -13.896 13.319 4.347 1.00 0.00 ATOM 723 CZ ARG 117 -14.218 13.954 3.225 1.00 0.00 ATOM 724 NH1 ARG 117 -14.425 15.264 3.239 1.00 0.00 ATOM 725 NH2 ARG 117 -14.334 13.277 2.091 1.00 0.00 ATOM 726 O ARG 117 -13.562 7.429 7.832 1.00 0.00 ATOM 727 C ARG 117 -12.576 7.952 7.284 1.00 0.00 ATOM 728 N ALA 118 -11.655 7.224 6.696 1.00 0.00 ATOM 729 CA ALA 118 -11.791 5.761 6.657 1.00 0.00 ATOM 730 CB ALA 118 -10.768 5.158 5.707 1.00 0.00 ATOM 731 O ALA 118 -12.118 4.086 8.294 1.00 0.00 ATOM 732 C ALA 118 -11.571 5.133 8.061 1.00 0.00 ATOM 733 N MET 119 -10.863 5.840 8.934 1.00 0.00 ATOM 734 CA MET 119 -10.616 5.352 10.337 1.00 0.00 ATOM 735 CB MET 119 -9.312 5.936 10.885 1.00 0.00 ATOM 736 CG MET 119 -8.068 5.500 10.128 1.00 0.00 ATOM 737 SD MET 119 -7.835 3.712 10.144 1.00 0.00 ATOM 738 CE MET 119 -7.476 3.433 11.877 1.00 0.00 ATOM 739 O MET 119 -11.652 5.448 12.474 1.00 0.00 ATOM 740 C MET 119 -11.723 5.750 11.264 1.00 0.00 ATOM 741 N ALA 121 -12.755 6.441 10.722 1.00 0.00 ATOM 742 CA ALA 121 -13.868 6.830 11.619 1.00 0.00 ATOM 743 CB ALA 121 -14.998 7.460 10.818 1.00 0.00 ATOM 744 O ALA 121 -14.804 4.638 11.800 1.00 0.00 ATOM 745 C ALA 121 -14.456 5.669 12.373 1.00 0.00 ATOM 746 N CYS 122 -14.580 5.863 13.705 1.00 0.00 ATOM 747 CA CYS 122 -15.257 4.812 14.503 1.00 0.00 ATOM 748 CB CYS 122 -16.371 4.155 13.686 1.00 0.00 ATOM 749 SG CYS 122 -17.732 5.263 13.254 1.00 0.00 ATOM 750 O CYS 122 -14.753 2.781 15.604 1.00 0.00 ATOM 751 C CYS 122 -14.318 3.702 14.949 1.00 0.00 ATOM 755 N GLU 125 -8.200 3.463 18.605 1.00 0.00 ATOM 756 CA GLU 125 -6.774 3.546 18.423 1.00 0.00 ATOM 757 CB GLU 125 -6.179 4.618 19.338 1.00 0.00 ATOM 758 CG GLU 125 -6.529 6.042 18.937 1.00 0.00 ATOM 759 CD GLU 125 -6.027 7.069 19.933 1.00 0.00 ATOM 760 OE1 GLU 125 -5.469 6.663 20.975 1.00 0.00 ATOM 761 OE2 GLU 125 -6.191 8.279 19.672 1.00 0.00 ATOM 762 O GLU 125 -5.155 1.733 18.066 1.00 0.00 ATOM 763 C GLU 125 -6.131 2.170 18.767 1.00 0.00 ATOM 764 N SER 126 -6.620 1.528 19.800 1.00 0.00 ATOM 765 CA SER 126 -6.011 0.212 20.181 1.00 0.00 ATOM 766 CB SER 126 -6.617 -0.301 21.490 1.00 0.00 ATOM 767 OG SER 126 -6.276 0.544 22.575 1.00 0.00 ATOM 768 O SER 126 -5.348 -1.696 18.813 1.00 0.00 ATOM 769 C SER 126 -6.238 -0.838 19.135 1.00 0.00 ATOM 770 N GLU 127 -7.454 -0.820 18.607 1.00 0.00 ATOM 771 CA GLU 127 -7.783 -1.792 17.565 1.00 0.00 ATOM 772 CB GLU 127 -9.280 -1.758 17.254 1.00 0.00 ATOM 773 CG GLU 127 -10.159 -2.308 18.366 1.00 0.00 ATOM 774 CD GLU 127 -11.637 -2.146 18.075 1.00 0.00 ATOM 775 OE1 GLU 127 -11.975 -1.538 17.037 1.00 0.00 ATOM 776 OE2 GLU 127 -12.458 -2.626 18.884 1.00 0.00 ATOM 777 O GLU 127 -6.621 -2.503 15.615 1.00 0.00 ATOM 778 C GLU 127 -7.036 -1.528 16.243 1.00 0.00 ATOM 779 N ARG 128 -6.850 -0.255 15.886 1.00 0.00 ATOM 780 CA ARG 128 -5.999 0.110 14.775 1.00 0.00 ATOM 781 CB ARG 128 -5.867 1.630 14.675 1.00 0.00 ATOM 782 CG ARG 128 -5.074 2.109 13.470 1.00 0.00 ATOM 783 CD ARG 128 -4.873 3.614 13.504 1.00 0.00 ATOM 784 NE ARG 128 -4.019 4.029 14.616 1.00 0.00 ATOM 785 CZ ARG 128 -2.695 3.921 14.621 1.00 0.00 ATOM 786 NH1 ARG 128 -2.001 4.325 15.677 1.00 0.00 ATOM 787 NH2 ARG 128 -2.066 3.413 13.571 1.00 0.00 ATOM 788 O ARG 128 -4.004 -1.031 14.066 1.00 0.00 ATOM 789 C ARG 128 -4.594 -0.511 14.993 1.00 0.00 ATOM 790 N ALA 129 -4.049 -0.287 16.182 1.00 0.00 ATOM 791 CA ALA 129 -2.705 -0.799 16.478 1.00 0.00 ATOM 792 CB ALA 129 -2.301 -0.438 17.898 1.00 0.00 ATOM 793 O ALA 129 -1.584 -2.854 15.817 1.00 0.00 ATOM 794 C ALA 129 -2.604 -2.307 16.353 1.00 0.00 ATOM 795 N LEU 130 -3.633 -3.003 16.848 1.00 0.00 ATOM 796 CA LEU 130 -3.696 -4.440 16.765 1.00 0.00 ATOM 797 CB LEU 130 -4.930 -4.964 17.502 1.00 0.00 ATOM 798 CG LEU 130 -5.136 -6.482 17.483 1.00 0.00 ATOM 799 CD1 LEU 130 -3.975 -7.189 18.163 1.00 0.00 ATOM 800 CD2 LEU 130 -6.416 -6.859 18.212 1.00 0.00 ATOM 801 O LEU 130 -3.072 -5.776 14.860 1.00 0.00 ATOM 802 C LEU 130 -3.774 -4.852 15.297 1.00 0.00 ATOM 803 N LEU 131 -4.641 -4.168 14.535 1.00 0.00 ATOM 804 CA LEU 131 -4.805 -4.471 13.085 1.00 0.00 ATOM 805 CB LEU 131 -5.791 -3.493 12.442 1.00 0.00 ATOM 806 CG LEU 131 -6.045 -3.674 10.945 1.00 0.00 ATOM 807 CD1 LEU 131 -6.650 -5.041 10.663 1.00 0.00 ATOM 808 CD2 LEU 131 -7.008 -2.614 10.430 1.00 0.00 ATOM 809 O LEU 131 -3.033 -5.181 11.642 1.00 0.00 ATOM 810 C LEU 131 -3.430 -4.341 12.393 1.00 0.00 ATOM 811 N ALA 132 -2.697 -3.271 12.673 1.00 0.00 ATOM 812 CA ALA 132 -1.378 -3.088 12.111 1.00 0.00 ATOM 813 CB ALA 132 -0.772 -1.781 12.597 1.00 0.00 ATOM 814 O ALA 132 0.318 -4.631 11.588 1.00 0.00 ATOM 815 C ALA 132 -0.420 -4.173 12.476 1.00 0.00 ATOM 816 N ALA 133 -0.443 -4.645 13.728 1.00 0.00 ATOM 817 CA ALA 133 0.468 -5.756 14.125 1.00 0.00 ATOM 818 CB ALA 133 0.341 -6.038 15.614 1.00 0.00 ATOM 819 O ALA 133 1.017 -7.770 12.914 1.00 0.00 ATOM 820 C ALA 133 0.117 -7.046 13.348 1.00 0.00 ATOM 821 N LEU 137 -1.160 -7.350 13.162 1.00 0.00 ATOM 822 CA LEU 137 -1.548 -8.524 12.331 1.00 0.00 ATOM 823 CB LEU 137 -3.072 -8.647 12.257 1.00 0.00 ATOM 824 CG LEU 137 -3.619 -9.805 11.419 1.00 0.00 ATOM 825 CD1 LEU 137 -3.171 -11.141 11.991 1.00 0.00 ATOM 826 CD2 LEU 137 -5.140 -9.783 11.398 1.00 0.00 ATOM 827 O LEU 137 -0.381 -9.285 10.391 1.00 0.00 ATOM 828 C LEU 137 -1.009 -8.379 10.917 1.00 0.00 ATOM 829 N LEU 138 -1.288 -7.227 10.273 1.00 0.00 ATOM 830 CA LEU 138 -0.751 -6.984 8.913 1.00 0.00 ATOM 831 CB LEU 138 -1.136 -5.584 8.429 1.00 0.00 ATOM 832 CG LEU 138 -2.617 -5.358 8.117 1.00 0.00 ATOM 833 CD1 LEU 138 -2.886 -3.890 7.825 1.00 0.00 ATOM 834 CD2 LEU 138 -3.042 -6.171 6.905 1.00 0.00 ATOM 835 O LEU 138 1.315 -7.654 7.884 1.00 0.00 ATOM 836 C LEU 138 0.789 -7.079 8.837 1.00 0.00 ATOM 837 N THR 139 1.497 -6.548 9.845 1.00 0.00 ATOM 838 CA THR 139 2.977 -6.617 9.839 1.00 0.00 ATOM 839 CB THR 139 3.581 -5.880 11.049 1.00 0.00 ATOM 840 CG2 THR 139 5.097 -5.998 11.042 1.00 0.00 ATOM 841 OG1 THR 139 3.224 -4.493 10.994 1.00 0.00 ATOM 842 O THR 139 4.460 -8.362 9.216 1.00 0.00 ATOM 843 C THR 139 3.456 -8.068 9.893 1.00 0.00 ATOM 844 N ARG 140 2.765 -8.935 10.634 1.00 0.00 ATOM 845 CA ARG 140 3.157 -10.373 10.712 1.00 0.00 ATOM 846 CB ARG 140 2.370 -11.084 11.816 1.00 0.00 ATOM 847 CG ARG 140 2.774 -10.682 13.224 1.00 0.00 ATOM 848 CD ARG 140 1.902 -11.364 14.265 1.00 0.00 ATOM 849 NE ARG 140 2.276 -10.985 15.626 1.00 0.00 ATOM 850 CZ ARG 140 1.624 -11.377 16.716 1.00 0.00 ATOM 851 NH1 ARG 140 2.038 -10.983 17.913 1.00 0.00 ATOM 852 NH2 ARG 140 0.563 -12.164 16.607 1.00 0.00 ATOM 853 O ARG 140 3.698 -11.857 8.920 1.00 0.00 ATOM 854 C ARG 140 2.882 -11.068 9.418 1.00 0.00 ATOM 855 N LEU 141 1.739 -10.746 8.809 1.00 0.00 ATOM 856 CA LEU 141 1.441 -11.335 7.472 1.00 0.00 ATOM 857 CB LEU 141 0.090 -10.836 6.955 1.00 0.00 ATOM 858 CG LEU 141 -0.341 -11.348 5.579 1.00 0.00 ATOM 859 CD1 LEU 141 -0.489 -12.861 5.590 1.00 0.00 ATOM 860 CD2 LEU 141 -1.676 -10.741 5.174 1.00 0.00 ATOM 861 O LEU 141 3.125 -11.722 5.767 1.00 0.00 ATOM 862 C LEU 141 2.535 -10.917 6.516 1.00 0.00 ATOM 863 N ALA 142 2.827 -9.615 6.463 1.00 0.00 ATOM 864 CA ALA 142 3.929 -9.200 5.597 1.00 0.00 ATOM 865 CB ALA 142 4.168 -7.703 5.724 1.00 0.00 ATOM 866 O ALA 142 5.997 -10.236 4.925 1.00 0.00 ATOM 867 C ALA 142 5.281 -9.864 5.883 1.00 0.00 ATOM 868 N GLN 143 5.621 -10.039 7.162 1.00 0.00 ATOM 869 CA GLN 143 6.911 -10.725 7.491 1.00 0.00 ATOM 870 CB GLN 143 7.167 -10.688 8.999 1.00 0.00 ATOM 871 CG GLN 143 7.494 -9.306 9.541 1.00 0.00 ATOM 872 CD GLN 143 7.632 -9.288 11.050 1.00 0.00 ATOM 873 OE1 GLN 143 7.383 -10.293 11.717 1.00 0.00 ATOM 874 NE2 GLN 143 8.028 -8.143 11.593 1.00 0.00 ATOM 875 O GLN 143 7.884 -12.695 6.537 1.00 0.00 ATOM 876 C GLN 143 6.842 -12.153 7.041 1.00 0.00 ATOM 877 N PHE 144 5.670 -12.790 7.185 1.00 0.00 ATOM 878 CA PHE 144 5.535 -14.202 6.754 1.00 0.00 ATOM 879 CB PHE 144 4.132 -14.727 7.070 1.00 0.00 ATOM 880 CG PHE 144 3.934 -16.173 6.721 1.00 0.00 ATOM 881 CD1 PHE 144 4.432 -17.172 7.539 1.00 0.00 ATOM 882 CD2 PHE 144 3.248 -16.536 5.575 1.00 0.00 ATOM 883 CE1 PHE 144 4.250 -18.504 7.218 1.00 0.00 ATOM 884 CE2 PHE 144 3.066 -17.868 5.254 1.00 0.00 ATOM 885 CZ PHE 144 3.564 -18.850 6.070 1.00 0.00 ATOM 886 O PHE 144 6.331 -15.301 4.739 1.00 0.00 ATOM 887 C PHE 144 5.772 -14.291 5.261 1.00 0.00 TER END