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 4 Mon Jul 31 20:30:09 2006 MODEL 4 PARENT 2a61_A ATOM 2 N LEU 7 -11.130 -8.270 15.952 1.00 0.00 ATOM 3 CA LEU 7 -11.699 -8.432 14.642 1.00 0.00 ATOM 4 CB LEU 7 -12.632 -9.643 14.611 1.00 0.00 ATOM 5 CG LEU 7 -13.326 -9.929 13.277 1.00 0.00 ATOM 6 CD1 LEU 7 -12.303 -10.227 12.192 1.00 0.00 ATOM 7 CD2 LEU 7 -14.252 -11.130 13.399 1.00 0.00 ATOM 8 O LEU 7 -12.299 -6.665 13.169 1.00 0.00 ATOM 9 C LEU 7 -12.496 -7.181 14.274 1.00 0.00 ATOM 10 N GLN 8 -13.362 -6.682 15.195 1.00 0.00 ATOM 11 CA GLN 8 -14.106 -5.464 14.883 1.00 0.00 ATOM 12 CB GLN 8 -15.256 -5.270 15.873 1.00 0.00 ATOM 13 CG GLN 8 -16.385 -6.277 15.718 1.00 0.00 ATOM 14 CD GLN 8 -17.476 -6.094 16.754 1.00 0.00 ATOM 15 OE1 GLN 8 -17.377 -5.231 17.627 1.00 0.00 ATOM 16 NE2 GLN 8 -18.521 -6.907 16.661 1.00 0.00 ATOM 17 O GLN 8 -13.393 -3.319 14.174 1.00 0.00 ATOM 18 C GLN 8 -13.205 -4.241 14.959 1.00 0.00 ATOM 19 N LEU 9 -12.230 -4.250 15.877 1.00 0.00 ATOM 20 CA LEU 9 -11.167 -3.229 15.916 1.00 0.00 ATOM 21 CB LEU 9 -10.122 -3.582 16.976 1.00 0.00 ATOM 22 CG LEU 9 -8.950 -2.610 17.122 1.00 0.00 ATOM 23 CD1 LEU 9 -9.439 -1.241 17.566 1.00 0.00 ATOM 24 CD2 LEU 9 -7.956 -3.119 18.156 1.00 0.00 ATOM 25 O LEU 9 -10.317 -1.993 14.051 1.00 0.00 ATOM 26 C LEU 9 -10.425 -3.089 14.566 1.00 0.00 ATOM 27 N ALA 10 -9.951 -4.201 14.001 1.00 0.00 ATOM 28 CA ALA 10 -9.294 -4.223 12.691 1.00 0.00 ATOM 29 CB ALA 10 -8.865 -5.639 12.335 1.00 0.00 ATOM 30 O ALA 10 -9.714 -2.989 10.656 1.00 0.00 ATOM 31 C ALA 10 -10.180 -3.732 11.544 1.00 0.00 ATOM 32 N ALA 11 -11.438 -4.184 11.530 1.00 0.00 ATOM 33 CA ALA 11 -12.363 -3.794 10.457 1.00 0.00 ATOM 34 CB ALA 11 -13.661 -4.579 10.564 1.00 0.00 ATOM 35 O ALA 11 -12.870 -1.654 9.496 1.00 0.00 ATOM 36 C ALA 11 -12.704 -2.316 10.526 1.00 0.00 ATOM 37 N HIS 12 -12.836 -1.797 11.733 1.00 0.00 ATOM 38 CA HIS 12 -13.189 -0.385 11.891 1.00 0.00 ATOM 39 CB HIS 12 -13.574 -0.087 13.342 1.00 0.00 ATOM 40 CG HIS 12 -13.981 1.333 13.579 1.00 0.00 ATOM 41 CD2 HIS 12 -13.410 2.474 14.282 1.00 0.00 ATOM 42 ND1 HIS 12 -15.152 1.864 13.086 1.00 0.00 ATOM 43 CE1 HIS 12 -15.241 3.153 13.461 1.00 0.00 ATOM 44 NE2 HIS 12 -14.199 3.525 14.178 1.00 0.00 ATOM 45 O HIS 12 -12.225 1.500 10.820 1.00 0.00 ATOM 46 C HIS 12 -12.014 0.515 11.515 1.00 0.00 ATOM 47 N LEU 13 -10.793 0.178 11.948 1.00 0.00 ATOM 48 CA LEU 13 -9.620 0.930 11.461 1.00 0.00 ATOM 49 CB LEU 13 -8.337 0.387 12.092 1.00 0.00 ATOM 50 CG LEU 13 -8.153 0.647 13.588 1.00 0.00 ATOM 51 CD1 LEU 13 -6.936 -0.097 14.117 1.00 0.00 ATOM 52 CD2 LEU 13 -7.955 2.132 13.855 1.00 0.00 ATOM 53 O LEU 13 -9.076 1.824 9.330 1.00 0.00 ATOM 54 C LEU 13 -9.461 0.840 9.957 1.00 0.00 ATOM 55 N ARG 14 -9.729 -0.337 9.371 1.00 0.00 ATOM 56 CA ARG 14 -9.655 -0.477 7.918 1.00 0.00 ATOM 57 CB ARG 14 -10.101 -1.876 7.491 1.00 0.00 ATOM 58 CG ARG 14 -9.122 -2.979 7.856 1.00 0.00 ATOM 59 CD ARG 14 -9.659 -4.347 7.470 1.00 0.00 ATOM 60 NE ARG 14 -8.740 -5.421 7.838 1.00 0.00 ATOM 61 CZ ARG 14 -9.001 -6.715 7.679 1.00 0.00 ATOM 62 NH1 ARG 14 -8.105 -7.621 8.046 1.00 0.00 ATOM 63 NH2 ARG 14 -10.157 -7.098 7.155 1.00 0.00 ATOM 64 O ARG 14 -10.136 1.162 6.193 1.00 0.00 ATOM 65 C ARG 14 -10.552 0.536 7.194 1.00 0.00 ATOM 66 N SER 15 -11.776 0.695 7.680 1.00 0.00 ATOM 67 CA SER 15 -12.718 1.569 6.992 1.00 0.00 ATOM 68 CB SER 15 -14.141 1.336 7.506 1.00 0.00 ATOM 69 OG SER 15 -14.598 0.036 7.174 1.00 0.00 ATOM 70 O SER 15 -12.491 3.871 6.343 1.00 0.00 ATOM 71 C SER 15 -12.337 3.035 7.235 1.00 0.00 ATOM 72 N GLN 16 -11.825 3.338 8.440 1.00 0.00 ATOM 73 CA GLN 16 -11.380 4.712 8.730 1.00 0.00 ATOM 74 CB GLN 16 -10.879 4.820 10.171 1.00 0.00 ATOM 75 CG GLN 16 -11.976 4.724 11.218 1.00 0.00 ATOM 76 CD GLN 16 -11.430 4.700 12.634 1.00 0.00 ATOM 77 OE1 GLN 16 -10.217 4.676 12.840 1.00 0.00 ATOM 78 NE2 GLN 16 -12.326 4.706 13.613 1.00 0.00 ATOM 79 O GLN 16 -10.263 6.198 7.202 1.00 0.00 ATOM 80 C GLN 16 -10.242 5.116 7.789 1.00 0.00 ATOM 81 N VAL 17 -9.246 4.238 7.690 1.00 0.00 ATOM 82 CA VAL 17 -8.039 4.503 6.915 1.00 0.00 ATOM 83 CB VAL 17 -7.000 3.379 7.087 1.00 0.00 ATOM 84 CG1 VAL 17 -5.835 3.579 6.129 1.00 0.00 ATOM 85 CG2 VAL 17 -6.457 3.367 8.508 1.00 0.00 ATOM 86 O VAL 17 -7.831 5.496 4.750 1.00 0.00 ATOM 87 C VAL 17 -8.363 4.613 5.425 1.00 0.00 ATOM 88 N THR 18 -9.246 3.733 4.934 1.00 0.00 ATOM 89 CA THR 18 -9.759 3.755 3.560 1.00 0.00 ATOM 90 CB THR 18 -10.816 2.658 3.334 1.00 0.00 ATOM 91 CG2 THR 18 -11.362 2.730 1.916 1.00 0.00 ATOM 92 OG1 THR 18 -10.223 1.370 3.539 1.00 0.00 ATOM 93 O THR 18 -10.084 5.691 2.223 1.00 0.00 ATOM 94 C THR 18 -10.410 5.095 3.241 1.00 0.00 ATOM 95 N THR 19 -11.309 5.579 4.108 1.00 0.00 ATOM 96 CA THR 19 -12.035 6.829 3.838 1.00 0.00 ATOM 97 CB THR 19 -13.082 7.122 4.928 1.00 0.00 ATOM 98 CG2 THR 19 -13.790 8.439 4.649 1.00 0.00 ATOM 99 OG1 THR 19 -14.053 6.069 4.956 1.00 0.00 ATOM 100 O THR 19 -11.268 8.901 2.902 1.00 0.00 ATOM 101 C THR 19 -11.114 8.038 3.779 1.00 0.00 ATOM 102 N LEU 20 -10.168 8.121 4.711 1.00 0.00 ATOM 103 CA LEU 20 -9.279 9.257 4.661 1.00 0.00 ATOM 104 CB LEU 20 -8.437 9.335 5.937 1.00 0.00 ATOM 105 CG LEU 20 -9.188 9.691 7.222 1.00 0.00 ATOM 106 CD1 LEU 20 -8.273 9.560 8.431 1.00 0.00 ATOM 107 CD2 LEU 20 -9.699 11.123 7.166 1.00 0.00 ATOM 108 O LEU 20 -7.986 10.160 2.890 1.00 0.00 ATOM 109 C LEU 20 -8.332 9.145 3.462 1.00 0.00 ATOM 110 N THR 21 -7.894 7.927 3.134 1.00 0.00 ATOM 111 CA THR 21 -7.017 7.712 1.953 1.00 0.00 ATOM 112 CB THR 21 -6.660 6.225 1.776 1.00 0.00 ATOM 113 CG2 THR 21 -5.799 6.026 0.539 1.00 0.00 ATOM 114 OG1 THR 21 -5.938 5.764 2.924 1.00 0.00 ATOM 115 O THR 21 -7.163 8.968 -0.105 1.00 0.00 ATOM 116 C THR 21 -7.727 8.191 0.673 1.00 0.00 ATOM 117 N ARG 22 -8.968 7.733 0.480 1.00 0.00 ATOM 118 CA ARG 22 -9.754 8.063 -0.693 1.00 0.00 ATOM 119 CB ARG 22 -11.090 7.319 -0.669 1.00 0.00 ATOM 120 CG ARG 22 -10.972 5.823 -0.914 1.00 0.00 ATOM 121 CD ARG 22 -12.323 5.137 -0.804 1.00 0.00 ATOM 122 NE ARG 22 -12.223 3.695 -1.008 1.00 0.00 ATOM 123 CZ ARG 22 -13.244 2.849 -0.895 1.00 0.00 ATOM 124 NH1 ARG 22 -13.058 1.553 -1.099 1.00 0.00 ATOM 125 NH2 ARG 22 -14.447 3.306 -0.576 1.00 0.00 ATOM 126 O ARG 22 -9.869 10.184 -1.810 1.00 0.00 ATOM 127 C ARG 22 -10.047 9.548 -0.760 1.00 0.00 ATOM 128 N ARG 23 -10.434 10.120 0.366 1.00 0.00 ATOM 129 CA ARG 23 -10.734 11.540 0.413 1.00 0.00 ATOM 130 CB ARG 23 -11.128 11.957 1.831 1.00 0.00 ATOM 131 CG ARG 23 -11.450 13.435 1.977 1.00 0.00 ATOM 132 CD ARG 23 -12.660 13.823 1.141 1.00 0.00 ATOM 133 NE ARG 23 -13.050 15.214 1.356 1.00 0.00 ATOM 134 CZ ARG 23 -13.936 15.865 0.607 1.00 0.00 ATOM 135 NH1 ARG 23 -14.230 17.129 0.877 1.00 0.00 ATOM 136 NH2 ARG 23 -14.526 15.250 -0.409 1.00 0.00 ATOM 137 O ARG 23 -9.715 13.351 -0.803 1.00 0.00 ATOM 138 C ARG 23 -9.555 12.447 -0.001 1.00 0.00 ATOM 139 N LEU 24 -8.388 12.170 0.567 1.00 0.00 ATOM 140 CA LEU 24 -7.132 12.829 0.237 1.00 0.00 ATOM 141 CB LEU 24 -5.983 12.230 1.050 1.00 0.00 ATOM 142 CG LEU 24 -4.599 12.839 0.817 1.00 0.00 ATOM 143 CD1 LEU 24 -4.590 14.314 1.188 1.00 0.00 ATOM 144 CD2 LEU 24 -3.551 12.130 1.662 1.00 0.00 ATOM 145 O LEU 24 -6.362 13.671 -1.845 1.00 0.00 ATOM 146 C LEU 24 -6.774 12.687 -1.227 1.00 0.00 ATOM 147 N ARG 25 -6.951 11.497 -1.793 1.00 0.00 ATOM 148 CA ARG 25 -6.523 11.239 -3.210 1.00 0.00 ATOM 149 CB ARG 25 -6.516 9.736 -3.503 1.00 0.00 ATOM 150 CG ARG 25 -5.422 8.968 -2.778 1.00 0.00 ATOM 151 CD ARG 25 -5.525 7.476 -3.047 1.00 0.00 ATOM 152 NE ARG 25 -6.726 6.894 -2.453 1.00 0.00 ATOM 153 CZ ARG 25 -7.034 5.602 -2.506 1.00 0.00 ATOM 154 NH1 ARG 25 -8.149 5.163 -1.936 1.00 0.00 ATOM 155 NH2 ARG 25 -6.228 4.752 -3.128 1.00 0.00 ATOM 156 O ARG 25 -7.066 11.823 -5.489 1.00 0.00 ATOM 157 C ARG 25 -7.405 11.868 -4.303 1.00 0.00 ATOM 158 N ARG 26 -8.528 12.450 -3.883 1.00 0.00 ATOM 159 CA ARG 26 -9.474 13.167 -4.766 1.00 0.00 ATOM 160 CB ARG 26 -10.684 13.656 -3.968 1.00 0.00 ATOM 161 CG ARG 26 -11.620 12.547 -3.515 1.00 0.00 ATOM 162 CD ARG 26 -12.750 13.094 -2.658 1.00 0.00 ATOM 163 NE ARG 26 -13.646 12.037 -2.194 1.00 0.00 ATOM 164 CZ ARG 26 -14.649 12.228 -1.344 1.00 0.00 ATOM 165 NH1 ARG 26 -15.412 11.207 -0.978 1.00 0.00 ATOM 166 NH2 ARG 26 -14.887 13.440 -0.861 1.00 0.00 ATOM 167 O ARG 26 -9.179 14.787 -6.521 1.00 0.00 ATOM 168 C ARG 26 -8.806 14.382 -5.414 1.00 0.00 ATOM 169 N GLU 27 -7.794 14.949 -4.751 1.00 0.00 ATOM 170 CA GLU 27 -7.014 16.038 -5.346 1.00 0.00 ATOM 171 CB GLU 27 -6.058 16.638 -4.314 1.00 0.00 ATOM 172 CG GLU 27 -6.752 17.363 -3.172 1.00 0.00 ATOM 173 CD GLU 27 -7.605 18.522 -3.649 1.00 0.00 ATOM 174 OE1 GLU 27 -7.067 19.408 -4.347 1.00 0.00 ATOM 175 OE2 GLU 27 -8.813 18.543 -3.329 1.00 0.00 ATOM 176 O GLU 27 -5.806 16.460 -7.390 1.00 0.00 ATOM 177 C GLU 27 -6.138 15.623 -6.557 1.00 0.00 ATOM 178 N ALA 28 -5.787 14.341 -6.666 1.00 0.00 ATOM 179 CA ALA 28 -5.008 13.872 -7.795 1.00 0.00 ATOM 180 CB ALA 28 -4.749 12.380 -7.678 1.00 0.00 ATOM 181 O ALA 28 -5.016 14.145 -10.191 1.00 0.00 ATOM 182 C ALA 28 -5.681 14.095 -9.163 1.00 0.00 ATOM 183 N GLN 29 -7.002 14.191 -9.157 1.00 0.00 ATOM 184 CA GLN 29 -7.776 14.472 -10.347 1.00 0.00 ATOM 185 CB GLN 29 -9.274 14.449 -10.031 1.00 0.00 ATOM 186 CG GLN 29 -9.824 13.062 -9.737 1.00 0.00 ATOM 187 CD GLN 29 -11.280 13.091 -9.318 1.00 0.00 ATOM 188 OE1 GLN 29 -11.869 14.161 -9.158 1.00 0.00 ATOM 189 NE2 GLN 29 -11.867 11.913 -9.141 1.00 0.00 ATOM 190 O GLN 29 -7.377 16.041 -12.100 1.00 0.00 ATOM 191 C GLN 29 -7.423 15.840 -10.897 1.00 0.00 ATOM 192 N ALA 30 -7.180 16.790 -10.001 1.00 0.00 ATOM 193 CA ALA 30 -6.821 18.143 -10.383 1.00 0.00 ATOM 194 CB ALA 30 -6.694 19.026 -9.151 1.00 0.00 ATOM 195 O ALA 30 -5.240 19.087 -11.888 1.00 0.00 ATOM 196 C ALA 30 -5.484 18.178 -11.129 1.00 0.00 ATOM 197 N ASP 31 -4.611 17.201 -10.888 1.00 0.00 ATOM 198 CA ASP 31 -3.266 17.176 -11.473 1.00 0.00 ATOM 199 CB ASP 31 -2.233 16.756 -10.424 1.00 0.00 ATOM 200 CG ASP 31 -2.146 17.733 -9.269 1.00 0.00 ATOM 201 OD1 ASP 31 -2.054 18.951 -9.526 1.00 0.00 ATOM 202 OD2 ASP 31 -2.170 17.281 -8.105 1.00 0.00 ATOM 203 O ASP 31 -2.123 16.240 -13.315 1.00 0.00 ATOM 204 C ASP 31 -3.120 16.220 -12.629 1.00 0.00 ATOM 205 N PRO 32 -4.097 15.344 -12.818 1.00 0.00 ATOM 206 CA PRO 32 -3.946 14.217 -13.735 1.00 0.00 ATOM 207 CB PRO 32 -3.474 14.861 -15.040 1.00 0.00 ATOM 208 CG PRO 32 -2.675 16.043 -14.605 1.00 0.00 ATOM 209 CD PRO 32 -3.343 16.566 -13.364 1.00 0.00 ATOM 210 O PRO 32 -2.421 12.423 -14.192 1.00 0.00 ATOM 211 C PRO 32 -2.953 13.156 -13.309 1.00 0.00 ATOM 212 N VAL 33 -2.681 13.068 -11.989 1.00 0.00 ATOM 213 CA VAL 33 -1.695 12.064 -11.457 1.00 0.00 ATOM 214 CB VAL 33 -1.005 12.574 -10.178 1.00 0.00 ATOM 215 CG1 VAL 33 -0.067 11.514 -9.620 1.00 0.00 ATOM 216 CG2 VAL 33 -0.192 13.826 -10.474 1.00 0.00 ATOM 217 O VAL 33 -3.398 10.713 -10.451 1.00 0.00 ATOM 218 C VAL 33 -2.364 10.741 -11.111 1.00 0.00 ATOM 219 N GLN 34 -1.827 9.638 -11.615 1.00 0.00 ATOM 220 CA GLN 34 -2.489 8.354 -11.389 1.00 0.00 ATOM 221 CB GLN 34 -2.084 7.345 -12.465 1.00 0.00 ATOM 222 CG GLN 34 -2.452 7.765 -13.880 1.00 0.00 ATOM 223 CD GLN 34 -3.943 7.969 -14.058 1.00 0.00 ATOM 224 OE1 GLN 34 -4.744 7.097 -13.721 1.00 0.00 ATOM 225 NE2 GLN 34 -4.322 9.126 -14.588 1.00 0.00 ATOM 226 O GLN 34 -1.065 8.252 -9.423 1.00 0.00 ATOM 227 C GLN 34 -2.078 7.806 -10.001 1.00 0.00 ATOM 228 N PHE 35 -2.861 6.848 -9.445 1.00 0.00 ATOM 229 CA PHE 35 -2.470 6.195 -8.149 1.00 0.00 ATOM 230 CB PHE 35 -3.356 4.978 -7.873 1.00 0.00 ATOM 231 CG PHE 35 -2.997 4.240 -6.616 1.00 0.00 ATOM 232 CD1 PHE 35 -3.428 4.696 -5.382 1.00 0.00 ATOM 233 CD2 PHE 35 -2.228 3.090 -6.666 1.00 0.00 ATOM 234 CE1 PHE 35 -3.100 4.016 -4.225 1.00 0.00 ATOM 235 CE2 PHE 35 -1.899 2.410 -5.509 1.00 0.00 ATOM 236 CZ PHE 35 -2.331 2.869 -4.292 1.00 0.00 ATOM 237 O PHE 35 -0.327 5.898 -7.032 1.00 0.00 ATOM 238 C PHE 35 -1.008 5.673 -8.057 1.00 0.00 ATOM 239 N SER 36 -0.536 4.985 -9.101 1.00 0.00 ATOM 240 CA SER 36 0.814 4.470 -9.116 1.00 0.00 ATOM 241 CB SER 36 1.023 3.550 -10.321 1.00 0.00 ATOM 242 OG SER 36 0.229 2.382 -10.215 1.00 0.00 ATOM 243 O SER 36 2.869 5.556 -8.536 1.00 0.00 ATOM 244 C SER 36 1.826 5.603 -9.202 1.00 0.00 ATOM 245 N GLN 37 1.519 6.632 -9.994 1.00 0.00 ATOM 246 CA GLN 37 2.375 7.813 -10.027 1.00 0.00 ATOM 247 CB GLN 37 1.840 8.833 -11.035 1.00 0.00 ATOM 248 CG GLN 37 1.994 8.414 -12.487 1.00 0.00 ATOM 249 CD GLN 37 1.354 9.394 -13.448 1.00 0.00 ATOM 250 OE1 GLN 37 0.708 10.356 -13.032 1.00 0.00 ATOM 251 NE2 GLN 37 1.530 9.153 -14.744 1.00 0.00 ATOM 252 O GLN 37 3.522 8.961 -8.271 1.00 0.00 ATOM 253 C GLN 37 2.454 8.504 -8.667 1.00 0.00 ATOM 254 N LEU 38 1.320 8.646 -7.993 1.00 0.00 ATOM 255 CA LEU 38 1.317 9.255 -6.669 1.00 0.00 ATOM 256 CB LEU 38 -0.114 9.392 -6.145 1.00 0.00 ATOM 257 CG LEU 38 -0.273 10.033 -4.766 1.00 0.00 ATOM 258 CD1 LEU 38 0.264 11.456 -4.769 1.00 0.00 ATOM 259 CD2 LEU 38 -1.738 10.078 -4.358 1.00 0.00 ATOM 260 O LEU 38 2.794 8.995 -4.780 1.00 0.00 ATOM 261 C LEU 38 2.103 8.435 -5.626 1.00 0.00 ATOM 262 N VAL 39 1.981 7.114 -5.701 1.00 0.00 ATOM 263 CA VAL 39 2.743 6.215 -4.825 1.00 0.00 ATOM 264 CB VAL 39 2.446 4.738 -5.136 1.00 0.00 ATOM 265 CG1 VAL 39 3.387 3.830 -4.360 1.00 0.00 ATOM 266 CG2 VAL 39 1.016 4.389 -4.752 1.00 0.00 ATOM 267 O VAL 39 5.009 6.360 -3.979 1.00 0.00 ATOM 268 C VAL 39 4.277 6.413 -4.977 1.00 0.00 ATOM 269 N VAL 40 4.747 6.612 -6.214 1.00 0.00 ATOM 270 CA VAL 40 6.151 7.004 -6.448 1.00 0.00 ATOM 271 CB VAL 40 6.460 7.122 -7.953 1.00 0.00 ATOM 272 CG1 VAL 40 7.844 7.716 -8.166 1.00 0.00 ATOM 273 CG2 VAL 40 6.417 5.754 -8.614 1.00 0.00 ATOM 274 O VAL 40 7.480 8.504 -5.117 1.00 0.00 ATOM 275 C VAL 40 6.463 8.356 -5.806 1.00 0.00 ATOM 276 N LEU 41 5.596 9.337 -6.025 1.00 0.00 ATOM 277 CA LEU 41 5.863 10.695 -5.512 1.00 0.00 ATOM 278 CB LEU 41 4.802 11.676 -6.016 1.00 0.00 ATOM 279 CG LEU 41 4.827 11.991 -7.512 1.00 0.00 ATOM 280 CD1 LEU 41 3.620 12.830 -7.905 1.00 0.00 ATOM 281 CD2 LEU 41 6.084 12.767 -7.878 1.00 0.00 ATOM 282 O LEU 41 6.718 11.396 -3.410 1.00 0.00 ATOM 283 C LEU 41 5.851 10.743 -4.009 1.00 0.00 ATOM 284 N GLY 42 4.865 10.077 -3.382 1.00 0.00 ATOM 285 CA GLY 42 4.781 10.090 -1.921 1.00 0.00 ATOM 286 O GLY 42 6.330 9.727 -0.166 1.00 0.00 ATOM 287 C GLY 42 5.888 9.311 -1.218 1.00 0.00 ATOM 288 N ALA 43 6.349 8.223 -1.831 1.00 0.00 ATOM 289 CA ALA 43 7.518 7.492 -1.351 1.00 0.00 ATOM 290 CB ALA 43 7.799 6.293 -2.244 1.00 0.00 ATOM 291 O ALA 43 9.511 8.344 -0.320 1.00 0.00 ATOM 292 C ALA 43 8.785 8.343 -1.329 1.00 0.00 ATOM 293 N ILE 44 9.024 9.085 -2.410 1.00 0.00 ATOM 294 CA ILE 44 10.195 9.933 -2.499 1.00 0.00 ATOM 295 CB ILE 44 10.407 10.452 -3.933 1.00 0.00 ATOM 296 CG1 ILE 44 10.780 9.301 -4.868 1.00 0.00 ATOM 297 CG2 ILE 44 11.528 11.482 -3.966 1.00 0.00 ATOM 298 CD1 ILE 44 10.748 9.671 -6.335 1.00 0.00 ATOM 299 O ILE 44 10.955 11.603 -0.955 1.00 0.00 ATOM 300 C ILE 44 9.997 11.124 -1.561 1.00 0.00 ATOM 301 N ASP 45 8.762 11.606 -1.442 1.00 0.00 ATOM 302 CA ASP 45 8.484 12.732 -0.567 1.00 0.00 ATOM 303 CB ASP 45 6.994 13.080 -0.599 1.00 0.00 ATOM 304 CG ASP 45 6.580 13.747 -1.896 1.00 0.00 ATOM 305 OD1 ASP 45 7.474 14.153 -2.668 1.00 0.00 ATOM 306 OD2 ASP 45 5.360 13.864 -2.142 1.00 0.00 ATOM 307 O ASP 45 9.438 13.228 1.582 1.00 0.00 ATOM 308 C ASP 45 8.869 12.404 0.880 1.00 0.00 ATOM 309 N ARG 46 8.560 11.184 1.293 1.00 0.00 ATOM 310 CA ARG 46 8.791 10.790 2.680 1.00 0.00 ATOM 311 CB ARG 46 7.782 9.723 3.109 1.00 0.00 ATOM 312 CG ARG 46 6.348 10.222 3.193 1.00 0.00 ATOM 313 CD ARG 46 5.390 9.093 3.540 1.00 0.00 ATOM 314 NE ARG 46 4.005 9.553 3.607 1.00 0.00 ATOM 315 CZ ARG 46 2.970 8.766 3.878 1.00 0.00 ATOM 316 NH1 ARG 46 1.744 9.272 3.917 1.00 0.00 ATOM 317 NH2 ARG 46 3.162 7.475 4.109 1.00 0.00 ATOM 318 O ARG 46 10.745 10.448 4.013 1.00 0.00 ATOM 319 C ARG 46 10.175 10.211 2.928 1.00 0.00 ATOM 320 N GLY 48 10.710 9.450 1.975 1.00 0.00 ATOM 321 CA GLY 48 11.973 8.742 2.186 1.00 0.00 ATOM 322 O GLY 48 14.297 8.868 1.588 1.00 0.00 ATOM 323 C GLY 48 13.147 9.284 1.389 1.00 0.00 ATOM 327 N VAL 51 15.172 7.858 -4.785 1.00 0.00 ATOM 328 CA VAL 51 14.962 6.456 -5.002 1.00 0.00 ATOM 329 CB VAL 51 13.463 6.104 -5.006 1.00 0.00 ATOM 330 CG1 VAL 51 13.258 4.650 -5.403 1.00 0.00 ATOM 331 CG2 VAL 51 12.863 6.313 -3.622 1.00 0.00 ATOM 332 O VAL 51 15.405 6.794 -7.359 1.00 0.00 ATOM 333 C VAL 51 15.558 6.067 -6.349 1.00 0.00 ATOM 334 N THR 52 16.208 4.894 -6.370 1.00 0.00 ATOM 335 CA THR 52 16.692 4.327 -7.645 1.00 0.00 ATOM 336 CB THR 52 17.717 3.203 -7.410 1.00 0.00 ATOM 337 CG2 THR 52 18.895 3.717 -6.597 1.00 0.00 ATOM 338 OG1 THR 52 17.095 2.126 -6.698 1.00 0.00 ATOM 339 O THR 52 14.487 3.391 -7.766 1.00 0.00 ATOM 340 C THR 52 15.483 3.761 -8.396 1.00 0.00 ATOM 341 N PRO 53 15.577 3.662 -9.737 1.00 0.00 ATOM 342 CA PRO 53 14.472 3.112 -10.511 1.00 0.00 ATOM 343 CB PRO 53 14.969 3.166 -11.957 1.00 0.00 ATOM 344 CG PRO 53 15.935 4.303 -11.979 1.00 0.00 ATOM 345 CD PRO 53 16.670 4.250 -10.668 1.00 0.00 ATOM 346 O PRO 53 12.965 1.355 -10.070 1.00 0.00 ATOM 347 C PRO 53 14.122 1.682 -10.117 1.00 0.00 ATOM 348 N SER 54 15.121 0.838 -9.820 1.00 0.00 ATOM 349 CA SER 54 14.896 -0.491 -9.259 1.00 0.00 ATOM 350 CB SER 54 16.230 -1.186 -8.975 1.00 0.00 ATOM 351 OG SER 54 16.931 -1.454 -10.178 1.00 0.00 ATOM 352 O SER 54 13.327 -1.428 -7.772 1.00 0.00 ATOM 353 C SER 54 14.129 -0.536 -7.953 1.00 0.00 ATOM 354 N GLU 55 14.391 0.405 -7.034 1.00 0.00 ATOM 355 CA GLU 55 13.656 0.509 -5.759 1.00 0.00 ATOM 356 CB GLU 55 14.276 1.588 -4.869 1.00 0.00 ATOM 357 CG GLU 55 15.645 1.227 -4.316 1.00 0.00 ATOM 358 CD GLU 55 16.281 2.366 -3.543 1.00 0.00 ATOM 359 OE1 GLU 55 15.682 3.461 -3.500 1.00 0.00 ATOM 360 OE2 GLU 55 17.376 2.163 -2.979 1.00 0.00 ATOM 361 O GLU 55 11.273 0.386 -5.251 1.00 0.00 ATOM 362 C GLU 55 12.170 0.874 -5.958 1.00 0.00 ATOM 363 N LEU 56 11.894 1.738 -6.922 1.00 0.00 ATOM 364 CA LEU 56 10.504 2.071 -7.287 1.00 0.00 ATOM 365 CB LEU 56 10.479 3.178 -8.343 1.00 0.00 ATOM 366 CG LEU 56 10.918 4.568 -7.879 1.00 0.00 ATOM 367 CD1 LEU 56 11.019 5.521 -9.060 1.00 0.00 ATOM 368 CD2 LEU 56 9.921 5.144 -6.885 1.00 0.00 ATOM 369 O LEU 56 8.590 0.654 -7.573 1.00 0.00 ATOM 370 C LEU 56 9.760 0.857 -7.862 1.00 0.00 ATOM 371 N ALA 57 10.454 0.056 -8.670 1.00 0.00 ATOM 372 CA ALA 57 9.913 -1.192 -9.224 1.00 0.00 ATOM 373 CB ALA 57 10.949 -1.875 -10.102 1.00 0.00 ATOM 374 O ALA 57 8.414 -2.791 -8.118 1.00 0.00 ATOM 375 C ALA 57 9.503 -2.195 -8.099 1.00 0.00 ATOM 376 N ALA 58 10.372 -2.327 -7.094 1.00 0.00 ATOM 377 CA ALA 58 10.135 -3.222 -5.946 1.00 0.00 ATOM 378 CB ALA 58 11.378 -3.307 -5.073 1.00 0.00 ATOM 379 O ALA 58 8.118 -3.463 -4.715 1.00 0.00 ATOM 380 C ALA 58 8.979 -2.686 -5.109 1.00 0.00 ATOM 381 N ALA 59 8.971 -1.375 -4.859 1.00 0.00 ATOM 382 CA ALA 59 7.912 -0.698 -4.112 1.00 0.00 ATOM 383 CB ALA 59 8.169 0.800 -4.068 1.00 0.00 ATOM 384 O ALA 59 5.568 -1.271 -4.008 1.00 0.00 ATOM 385 C ALA 59 6.526 -0.889 -4.710 1.00 0.00 ATOM 386 N GLU 60 6.402 -0.587 -6.005 1.00 0.00 ATOM 387 CA GLU 60 5.111 -0.746 -6.675 1.00 0.00 ATOM 388 CB GLU 60 5.117 -0.026 -8.026 1.00 0.00 ATOM 389 CG GLU 60 5.133 1.490 -7.922 1.00 0.00 ATOM 390 CD GLU 60 5.232 2.165 -9.276 1.00 0.00 ATOM 391 OE1 GLU 60 5.351 1.447 -10.291 1.00 0.00 ATOM 392 OE2 GLU 60 5.192 3.413 -9.322 1.00 0.00 ATOM 393 O GLU 60 3.583 -2.556 -6.940 1.00 0.00 ATOM 394 C GLU 60 4.765 -2.184 -6.938 1.00 0.00 ATOM 395 N ARG 61 5.791 -3.000 -7.140 1.00 0.00 ATOM 396 CA ARG 61 5.600 -4.387 -7.596 1.00 0.00 ATOM 397 CB ARG 61 4.447 -5.046 -6.837 1.00 0.00 ATOM 398 CG ARG 61 4.695 -5.202 -5.345 1.00 0.00 ATOM 399 CD ARG 61 3.650 -6.098 -4.701 1.00 0.00 ATOM 400 NE ARG 61 2.310 -5.520 -4.780 1.00 0.00 ATOM 401 CZ ARG 61 1.842 -4.601 -3.940 1.00 0.00 ATOM 402 NH1 ARG 61 0.611 -4.132 -4.090 1.00 0.00 ATOM 403 NH2 ARG 61 2.606 -4.154 -2.953 1.00 0.00 ATOM 404 O ARG 61 4.508 -5.413 -9.479 1.00 0.00 ATOM 405 C ARG 61 5.274 -4.509 -9.069 1.00 0.00 ATOM 406 N MET 62 5.847 -3.598 -9.867 1.00 0.00 ATOM 407 CA MET 62 5.704 -3.630 -11.332 1.00 0.00 ATOM 408 CB MET 62 4.973 -2.379 -11.825 1.00 0.00 ATOM 409 CG MET 62 3.547 -2.252 -11.317 1.00 0.00 ATOM 410 SD MET 62 2.730 -0.755 -11.902 1.00 0.00 ATOM 411 CE MET 62 2.373 -1.206 -13.598 1.00 0.00 ATOM 412 O MET 62 8.088 -3.243 -11.447 1.00 0.00 ATOM 413 C MET 62 7.081 -3.685 -12.016 1.00 0.00 ATOM 414 N ARG 63 7.108 -4.211 -13.235 1.00 0.00 ATOM 415 CA ARG 63 8.309 -4.237 -14.073 1.00 0.00 ATOM 416 CB ARG 63 7.974 -4.756 -15.473 1.00 0.00 ATOM 417 CG ARG 63 7.576 -6.224 -15.512 1.00 0.00 ATOM 418 CD ARG 63 7.192 -6.654 -16.917 1.00 0.00 ATOM 419 NE ARG 63 5.992 -5.966 -17.391 1.00 0.00 ATOM 420 CZ ARG 63 5.546 -6.022 -18.642 1.00 0.00 ATOM 421 NH1 ARG 63 4.445 -5.364 -18.983 1.00 0.00 ATOM 422 NH2 ARG 63 6.199 -6.734 -19.550 1.00 0.00 ATOM 423 O ARG 63 8.319 -1.797 -14.118 1.00 0.00 ATOM 424 C ARG 63 8.967 -2.861 -14.260 1.00 0.00 ATOM 425 N SER 64 10.256 -2.885 -14.605 1.00 0.00 ATOM 426 CA SER 64 11.020 -1.656 -14.785 1.00 0.00 ATOM 427 CB SER 64 12.477 -1.977 -15.126 1.00 0.00 ATOM 428 OG SER 64 13.128 -2.612 -14.039 1.00 0.00 ATOM 429 O SER 64 10.439 0.421 -15.835 1.00 0.00 ATOM 430 C SER 64 10.438 -0.808 -15.922 1.00 0.00 ATOM 431 N SER 65 9.951 -1.468 -16.986 1.00 0.00 ATOM 432 CA SER 65 9.294 -0.781 -18.112 1.00 0.00 ATOM 433 CB SER 65 8.774 -1.798 -19.129 1.00 0.00 ATOM 434 OG SER 65 9.841 -2.495 -19.748 1.00 0.00 ATOM 435 O SER 65 7.941 1.168 -18.183 1.00 0.00 ATOM 436 C SER 65 8.118 0.062 -17.681 1.00 0.00 ATOM 437 N ASN 66 7.310 -0.457 -16.754 1.00 0.00 ATOM 438 CA ASN 66 6.165 0.291 -16.241 1.00 0.00 ATOM 439 CB ASN 66 5.334 -0.583 -15.299 1.00 0.00 ATOM 440 CG ASN 66 4.548 -1.649 -16.034 1.00 0.00 ATOM 441 ND2 ASN 66 4.153 -2.694 -15.315 1.00 0.00 ATOM 442 OD1 ASN 66 4.301 -1.534 -17.235 1.00 0.00 ATOM 443 O ASN 66 6.177 2.654 -15.680 1.00 0.00 ATOM 444 C ASN 66 6.647 1.533 -15.465 1.00 0.00 ATOM 445 N LEU 67 7.603 1.314 -14.562 1.00 0.00 ATOM 446 CA LEU 67 8.192 2.399 -13.789 1.00 0.00 ATOM 447 CB LEU 67 9.368 1.885 -12.954 1.00 0.00 ATOM 448 CG LEU 67 10.092 2.923 -12.094 1.00 0.00 ATOM 449 CD1 LEU 67 9.154 3.501 -11.046 1.00 0.00 ATOM 450 CD2 LEU 67 11.277 2.294 -11.377 1.00 0.00 ATOM 451 O LEU 67 8.439 4.652 -14.544 1.00 0.00 ATOM 452 C LEU 67 8.699 3.498 -14.739 1.00 0.00 ATOM 453 N ALA 68 9.434 3.110 -15.769 1.00 0.00 ATOM 454 CA ALA 68 9.975 4.050 -16.737 1.00 0.00 ATOM 455 CB ALA 68 10.654 3.305 -17.877 1.00 0.00 ATOM 456 O ALA 68 9.047 6.090 -17.378 1.00 0.00 ATOM 457 C ALA 68 8.887 4.896 -17.307 1.00 0.00 ATOM 458 N ALA 69 7.768 4.290 -17.716 1.00 0.00 ATOM 459 CA ALA 69 6.631 5.076 -18.251 1.00 0.00 ATOM 460 CB ALA 69 5.500 4.152 -18.675 1.00 0.00 ATOM 461 O ALA 69 5.728 7.238 -17.630 1.00 0.00 ATOM 462 C ALA 69 6.022 6.073 -17.272 1.00 0.00 ATOM 463 N LEU 70 5.818 5.616 -16.031 1.00 0.00 ATOM 464 CA LEU 70 5.307 6.461 -14.969 1.00 0.00 ATOM 465 CB LEU 70 5.144 5.657 -13.677 1.00 0.00 ATOM 466 CG LEU 70 4.021 4.618 -13.663 1.00 0.00 ATOM 467 CD1 LEU 70 4.092 3.767 -12.404 1.00 0.00 ATOM 468 CD2 LEU 70 2.660 5.295 -13.702 1.00 0.00 ATOM 469 O LEU 70 5.725 8.743 -14.449 1.00 0.00 ATOM 470 C LEU 70 6.213 7.653 -14.632 1.00 0.00 ATOM 471 N LEU 71 7.514 7.386 -14.459 1.00 0.00 ATOM 472 CA LEU 71 8.523 8.392 -14.068 1.00 0.00 ATOM 473 CB LEU 71 9.862 7.719 -13.765 1.00 0.00 ATOM 474 CG LEU 71 9.913 6.849 -12.507 1.00 0.00 ATOM 475 CD1 LEU 71 11.236 6.103 -12.424 1.00 0.00 ATOM 476 CD2 LEU 71 9.770 7.702 -11.257 1.00 0.00 ATOM 477 O LEU 71 8.847 10.605 -14.966 1.00 0.00 ATOM 478 C LEU 71 8.739 9.415 -15.206 1.00 0.00 ATOM 479 N ARG 72 8.805 8.927 -16.431 1.00 0.00 ATOM 480 CA ARG 72 9.017 9.802 -17.623 1.00 0.00 ATOM 481 CB ARG 72 8.930 8.982 -18.912 1.00 0.00 ATOM 482 CG ARG 72 10.105 8.044 -19.131 1.00 0.00 ATOM 483 CD ARG 72 9.918 7.210 -20.388 1.00 0.00 ATOM 484 NE ARG 72 11.027 6.282 -20.599 1.00 0.00 ATOM 485 CZ ARG 72 11.077 5.387 -21.581 1.00 0.00 ATOM 486 NH1 ARG 72 12.125 4.584 -21.695 1.00 0.00 ATOM 487 NH2 ARG 72 10.077 5.301 -22.449 1.00 0.00 ATOM 488 O ARG 72 8.308 12.058 -18.055 1.00 0.00 ATOM 489 C ARG 72 7.980 10.920 -17.722 1.00 0.00 ATOM 490 N GLU 73 6.722 10.583 -17.426 1.00 0.00 ATOM 491 CA GLU 73 5.630 11.580 -17.413 1.00 0.00 ATOM 492 CB GLU 73 4.272 10.884 -17.302 1.00 0.00 ATOM 493 CG GLU 73 3.864 10.113 -18.547 1.00 0.00 ATOM 494 CD GLU 73 2.575 9.339 -18.357 1.00 0.00 ATOM 495 OE1 GLU 73 2.038 9.346 -17.229 1.00 0.00 ATOM 496 OE2 GLU 73 2.102 8.723 -19.334 1.00 0.00 ATOM 497 O GLU 73 5.576 13.716 -16.362 1.00 0.00 ATOM 498 C GLU 73 5.777 12.532 -16.231 1.00 0.00 ATOM 499 N LEU 74 6.125 12.001 -15.063 1.00 0.00 ATOM 500 CA LEU 74 6.340 12.867 -13.896 1.00 0.00 ATOM 501 CB LEU 74 6.660 12.027 -12.658 1.00 0.00 ATOM 502 CG LEU 74 5.511 11.188 -12.094 1.00 0.00 ATOM 503 CD1 LEU 74 6.008 10.271 -10.987 1.00 0.00 ATOM 504 CD2 LEU 74 4.423 12.082 -11.518 1.00 0.00 ATOM 505 O LEU 74 7.457 14.957 -13.585 1.00 0.00 ATOM 506 C LEU 74 7.498 13.842 -14.095 1.00 0.00 ATOM 507 N GLU 75 8.571 13.379 -14.733 1.00 0.00 ATOM 508 CA GLU 75 9.739 14.227 -15.073 1.00 0.00 ATOM 509 CB GLU 75 10.876 13.372 -15.635 1.00 0.00 ATOM 510 CG GLU 75 11.539 12.467 -14.609 1.00 0.00 ATOM 511 CD GLU 75 12.561 11.534 -15.228 1.00 0.00 ATOM 512 OE1 GLU 75 12.699 11.545 -16.470 1.00 0.00 ATOM 513 OE2 GLU 75 13.222 10.791 -14.472 1.00 0.00 ATOM 514 O GLU 75 9.601 16.469 -15.947 1.00 0.00 ATOM 515 C GLU 75 9.348 15.276 -16.127 1.00 0.00 ATOM 516 N ARG 76 8.681 14.837 -17.194 1.00 0.00 ATOM 517 CA ARG 76 8.268 15.799 -18.255 1.00 0.00 ATOM 518 CB ARG 76 7.545 15.069 -19.387 1.00 0.00 ATOM 519 CG ARG 76 8.450 14.195 -20.240 1.00 0.00 ATOM 520 CD ARG 76 7.656 13.444 -21.297 1.00 0.00 ATOM 521 NE ARG 76 8.508 12.577 -22.110 1.00 0.00 ATOM 522 CZ ARG 76 8.057 11.757 -23.053 1.00 0.00 ATOM 523 NH1 ARG 76 8.906 11.007 -23.739 1.00 0.00 ATOM 524 NH2 ARG 76 6.758 11.692 -23.309 1.00 0.00 ATOM 525 O ARG 76 7.404 18.042 -18.094 1.00 0.00 ATOM 526 C ARG 76 7.322 16.866 -17.698 1.00 0.00 ATOM 527 N GLY 77 6.416 16.463 -16.796 1.00 0.00 ATOM 528 CA GLY 77 5.454 17.416 -16.199 1.00 0.00 ATOM 529 O GLY 77 5.209 19.020 -14.431 1.00 0.00 ATOM 530 C GLY 77 5.950 18.211 -14.980 1.00 0.00 ATOM 531 N GLY 78 7.208 18.001 -14.581 1.00 0.00 ATOM 532 CA GLY 78 7.861 18.805 -13.543 1.00 0.00 ATOM 533 O GLY 78 7.851 19.151 -11.196 1.00 0.00 ATOM 534 C GLY 78 7.638 18.354 -12.111 1.00 0.00 ATOM 535 N LEU 79 7.168 17.117 -11.905 1.00 0.00 ATOM 536 CA LEU 79 6.943 16.571 -10.523 1.00 0.00 ATOM 537 CB LEU 79 5.797 15.558 -10.527 1.00 0.00 ATOM 538 CG LEU 79 4.419 16.092 -10.926 1.00 0.00 ATOM 539 CD1 LEU 79 3.400 14.966 -10.979 1.00 0.00 ATOM 540 CD2 LEU 79 3.932 17.127 -9.923 1.00 0.00 ATOM 541 O LEU 79 8.322 15.824 -8.650 1.00 0.00 ATOM 542 C LEU 79 8.145 15.841 -9.895 1.00 0.00 ATOM 543 N ILE 80 8.971 15.280 -10.776 1.00 0.00 ATOM 544 CA ILE 80 10.205 14.605 -10.443 1.00 0.00 ATOM 545 CB ILE 80 10.118 13.095 -10.738 1.00 0.00 ATOM 546 CG1 ILE 80 8.953 12.467 -9.972 1.00 0.00 ATOM 547 CG2 ILE 80 11.403 12.397 -10.317 1.00 0.00 ATOM 548 CD1 ILE 80 8.719 11.010 -10.301 1.00 0.00 ATOM 549 O ILE 80 11.163 15.726 -12.341 1.00 0.00 ATOM 550 C ILE 80 11.358 15.185 -11.263 1.00 0.00 ATOM 554 N HIS 83 19.082 12.909 -10.368 1.00 0.00 ATOM 555 CA HIS 83 20.442 13.236 -9.964 1.00 0.00 ATOM 556 CB HIS 83 20.463 13.761 -8.527 1.00 0.00 ATOM 557 CG HIS 83 21.771 14.367 -8.124 1.00 0.00 ATOM 558 CD2 HIS 83 22.289 15.719 -7.979 1.00 0.00 ATOM 559 ND1 HIS 83 22.867 13.607 -7.772 1.00 0.00 ATOM 560 CE1 HIS 83 23.887 14.427 -7.461 1.00 0.00 ATOM 561 NE2 HIS 83 23.548 15.696 -7.583 1.00 0.00 ATOM 562 O HIS 83 20.893 10.847 -9.794 1.00 0.00 ATOM 563 C HIS 83 21.347 11.973 -10.042 1.00 0.00 ATOM 564 N ALA 84 22.619 12.140 -10.470 1.00 0.00 ATOM 565 CA ALA 84 23.462 10.952 -10.587 1.00 0.00 ATOM 566 CB ALA 84 24.778 11.300 -11.262 1.00 0.00 ATOM 567 O ALA 84 23.762 10.971 -8.179 1.00 0.00 ATOM 568 C ALA 84 23.803 10.320 -9.243 1.00 0.00 ATOM 569 N ASP 85 24.123 9.038 -9.327 1.00 0.00 ATOM 570 CA ASP 85 24.721 8.334 -8.215 1.00 0.00 ATOM 571 CB ASP 85 24.547 6.823 -8.383 1.00 0.00 ATOM 572 CG ASP 85 25.109 6.039 -7.214 1.00 0.00 ATOM 573 OD1 ASP 85 25.736 6.659 -6.328 1.00 0.00 ATOM 574 OD2 ASP 85 24.923 4.804 -7.183 1.00 0.00 ATOM 575 O ASP 85 26.934 8.284 -9.099 1.00 0.00 ATOM 576 C ASP 85 26.207 8.710 -8.218 1.00 0.00 ATOM 577 N PRO 86 26.651 9.474 -7.209 1.00 0.00 ATOM 578 CA PRO 86 28.042 9.930 -7.147 1.00 0.00 ATOM 579 CB PRO 86 28.079 10.841 -5.918 1.00 0.00 ATOM 580 CG PRO 86 26.940 10.376 -5.075 1.00 0.00 ATOM 581 CD PRO 86 25.859 9.956 -6.030 1.00 0.00 ATOM 582 O PRO 86 30.263 8.993 -7.256 1.00 0.00 ATOM 583 C PRO 86 29.076 8.789 -6.994 1.00 0.00 ATOM 584 N GLN 87 28.629 7.600 -6.610 1.00 0.00 ATOM 585 CA GLN 87 29.497 6.431 -6.573 1.00 0.00 ATOM 586 CB GLN 87 29.096 5.502 -5.425 1.00 0.00 ATOM 587 CG GLN 87 29.218 6.129 -4.046 1.00 0.00 ATOM 588 CD GLN 87 28.780 5.192 -2.939 1.00 0.00 ATOM 589 OE1 GLN 87 28.435 4.037 -3.189 1.00 0.00 ATOM 590 NE2 GLN 87 28.793 5.687 -1.707 1.00 0.00 ATOM 591 O GLN 87 30.273 4.646 -7.977 1.00 0.00 ATOM 592 C GLN 87 29.477 5.560 -7.859 1.00 0.00 ATOM 593 N ASP 88 28.574 5.837 -8.811 1.00 0.00 ATOM 594 CA ASP 88 28.422 4.979 -10.003 1.00 0.00 ATOM 595 CB ASP 88 27.459 3.827 -9.715 1.00 0.00 ATOM 596 CG ASP 88 27.333 2.867 -10.882 1.00 0.00 ATOM 597 OD1 ASP 88 27.891 3.165 -11.959 1.00 0.00 ATOM 598 OD2 ASP 88 26.677 1.817 -10.719 1.00 0.00 ATOM 599 O ASP 88 26.683 6.156 -11.219 1.00 0.00 ATOM 600 C ASP 88 27.860 5.805 -11.195 1.00 0.00 ATOM 601 N GLY 89 28.724 6.108 -12.166 1.00 0.00 ATOM 602 CA GLY 89 28.375 6.990 -13.287 1.00 0.00 ATOM 603 O GLY 89 26.512 7.246 -14.768 1.00 0.00 ATOM 604 C GLY 89 27.184 6.478 -14.081 1.00 0.00 ATOM 605 N ARG 90 26.939 5.178 -13.987 1.00 0.00 ATOM 606 CA ARG 90 25.886 4.495 -14.772 1.00 0.00 ATOM 607 CB ARG 90 26.284 3.045 -15.056 1.00 0.00 ATOM 608 CG ARG 90 27.501 2.899 -15.952 1.00 0.00 ATOM 609 CD ARG 90 27.858 1.437 -16.165 1.00 0.00 ATOM 610 NE ARG 90 29.052 1.281 -16.993 1.00 0.00 ATOM 611 CZ ARG 90 29.675 0.124 -17.194 1.00 0.00 ATOM 612 NH1 ARG 90 30.754 0.077 -17.963 1.00 0.00 ATOM 613 NH2 ARG 90 29.218 -0.984 -16.624 1.00 0.00 ATOM 614 O ARG 90 23.532 3.996 -14.684 1.00 0.00 ATOM 615 C ARG 90 24.509 4.437 -14.088 1.00 0.00 ATOM 616 N ARG 91 24.439 4.896 -12.840 1.00 0.00 ATOM 617 CA ARG 91 23.216 4.840 -12.049 1.00 0.00 ATOM 618 CB ARG 91 23.468 4.118 -10.723 1.00 0.00 ATOM 619 CG ARG 91 23.764 2.634 -10.873 1.00 0.00 ATOM 620 CD ARG 91 23.984 1.976 -9.519 1.00 0.00 ATOM 621 NE ARG 91 24.384 0.578 -9.650 1.00 0.00 ATOM 622 CZ ARG 91 23.533 -0.435 -9.766 1.00 0.00 ATOM 623 NH1 ARG 91 23.988 -1.675 -9.879 1.00 0.00 ATOM 624 NH2 ARG 91 22.227 -0.206 -9.768 1.00 0.00 ATOM 625 O ARG 91 23.484 7.190 -11.809 1.00 0.00 ATOM 626 C ARG 91 22.717 6.244 -11.744 1.00 0.00 ATOM 627 N THR 92 21.431 6.386 -11.397 1.00 0.00 ATOM 628 CA THR 92 20.858 7.686 -11.038 1.00 0.00 ATOM 629 CB THR 92 20.268 8.401 -12.267 1.00 0.00 ATOM 630 CG2 THR 92 21.317 8.537 -13.359 1.00 0.00 ATOM 631 OG1 THR 92 19.161 7.648 -12.778 1.00 0.00 ATOM 632 O THR 92 19.241 6.419 -9.800 1.00 0.00 ATOM 633 C THR 92 19.731 7.521 -10.010 1.00 0.00 ATOM 634 N ARG 93 19.313 8.621 -9.399 1.00 0.00 ATOM 635 CA ARG 93 18.220 8.624 -8.428 1.00 0.00 ATOM 636 CB ARG 93 18.715 9.115 -7.066 1.00 0.00 ATOM 637 CG ARG 93 19.741 8.204 -6.413 1.00 0.00 ATOM 638 CD ARG 93 20.230 8.777 -5.094 1.00 0.00 ATOM 639 NE ARG 93 21.198 7.900 -4.439 1.00 0.00 ATOM 640 CZ ARG 93 21.874 8.220 -3.341 1.00 0.00 ATOM 641 NH1 ARG 93 22.734 7.358 -2.817 1.00 0.00 ATOM 642 NH2 ARG 93 21.689 9.403 -2.770 1.00 0.00 ATOM 643 O ARG 93 17.460 10.548 -9.619 1.00 0.00 ATOM 644 C ARG 93 17.150 9.550 -8.952 1.00 0.00 ATOM 645 N VAL 94 15.892 9.209 -8.662 1.00 0.00 ATOM 646 CA VAL 94 14.780 10.136 -8.867 1.00 0.00 ATOM 647 CB VAL 94 13.482 9.389 -9.228 1.00 0.00 ATOM 648 CG1 VAL 94 12.325 10.367 -9.364 1.00 0.00 ATOM 649 CG2 VAL 94 13.643 8.648 -10.547 1.00 0.00 ATOM 650 O VAL 94 14.466 10.361 -6.504 1.00 0.00 ATOM 651 C VAL 94 14.530 10.931 -7.609 1.00 0.00 ATOM 652 N SER 95 14.419 12.240 -7.769 1.00 0.00 ATOM 653 CA SER 95 14.185 13.137 -6.641 1.00 0.00 ATOM 654 CB SER 95 15.392 14.052 -6.424 1.00 0.00 ATOM 655 OG SER 95 15.592 14.906 -7.537 1.00 0.00 ATOM 656 O SER 95 12.593 14.220 -8.049 1.00 0.00 ATOM 657 C SER 95 12.953 14.003 -6.919 1.00 0.00 ATOM 658 N LEU 96 12.329 14.516 -5.866 1.00 0.00 ATOM 659 CA LEU 96 11.083 15.259 -6.029 1.00 0.00 ATOM 660 CB LEU 96 10.194 15.093 -4.795 1.00 0.00 ATOM 661 CG LEU 96 9.752 13.666 -4.463 1.00 0.00 ATOM 662 CD1 LEU 96 8.951 13.637 -3.172 1.00 0.00 ATOM 663 CD2 LEU 96 8.881 13.102 -5.576 1.00 0.00 ATOM 664 O LEU 96 12.416 17.241 -5.706 1.00 0.00 ATOM 665 C LEU 96 11.406 16.741 -6.219 1.00 0.00 ATOM 666 N SER 97 10.548 17.437 -6.941 1.00 0.00 ATOM 667 CA SER 97 10.664 18.880 -7.118 1.00 0.00 ATOM 668 CB SER 97 10.318 19.273 -8.557 1.00 0.00 ATOM 669 OG SER 97 8.949 19.036 -8.834 1.00 0.00 ATOM 670 O SER 97 8.884 18.951 -5.510 1.00 0.00 ATOM 671 C SER 97 9.697 19.593 -6.161 1.00 0.00 ATOM 672 N SER 98 9.776 20.926 -6.115 1.00 0.00 ATOM 673 CA SER 98 8.825 21.722 -5.380 1.00 0.00 ATOM 674 CB SER 98 9.100 23.213 -5.589 1.00 0.00 ATOM 675 OG SER 98 10.339 23.588 -5.012 1.00 0.00 ATOM 676 O SER 98 6.486 21.356 -4.978 1.00 0.00 ATOM 677 C SER 98 7.405 21.455 -5.814 1.00 0.00 ATOM 678 N GLU 99 7.210 21.402 -7.130 1.00 0.00 ATOM 679 CA GLU 99 5.912 21.137 -7.696 1.00 0.00 ATOM 680 CB GLU 99 5.980 21.153 -9.224 1.00 0.00 ATOM 681 CG GLU 99 6.195 22.535 -9.821 1.00 0.00 ATOM 682 CD GLU 99 6.380 22.499 -11.325 1.00 0.00 ATOM 683 OE1 GLU 99 6.414 21.386 -11.893 1.00 0.00 ATOM 684 OE2 GLU 99 6.491 23.581 -11.938 1.00 0.00 ATOM 685 O GLU 99 4.191 19.628 -6.994 1.00 0.00 ATOM 686 C GLU 99 5.382 19.771 -7.266 1.00 0.00 ATOM 687 N GLY 100 6.264 18.774 -7.247 1.00 0.00 ATOM 688 CA GLY 100 5.924 17.433 -6.725 1.00 0.00 ATOM 689 O GLY 100 4.556 16.834 -4.858 1.00 0.00 ATOM 690 C GLY 100 5.519 17.493 -5.252 1.00 0.00 ATOM 691 N ARG 101 6.225 18.308 -4.450 1.00 0.00 ATOM 692 CA ARG 101 5.897 18.460 -3.033 1.00 0.00 ATOM 693 CB ARG 101 6.905 19.384 -2.345 1.00 0.00 ATOM 694 CG ARG 101 8.288 18.777 -2.175 1.00 0.00 ATOM 695 CD ARG 101 9.255 19.771 -1.554 1.00 0.00 ATOM 696 NE ARG 101 10.597 19.213 -1.409 1.00 0.00 ATOM 697 CZ ARG 101 11.646 19.896 -0.962 1.00 0.00 ATOM 698 NH1 ARG 101 12.829 19.304 -0.864 1.00 0.00 ATOM 699 NH2 ARG 101 11.510 21.168 -0.615 1.00 0.00 ATOM 700 O ARG 101 3.792 18.607 -1.955 1.00 0.00 ATOM 701 C ARG 101 4.518 19.053 -2.838 1.00 0.00 ATOM 702 N ARG 102 4.170 20.039 -3.661 1.00 0.00 ATOM 703 CA ARG 102 2.880 20.727 -3.541 1.00 0.00 ATOM 704 CB ARG 102 2.744 21.802 -4.621 1.00 0.00 ATOM 705 CG ARG 102 3.646 23.008 -4.413 1.00 0.00 ATOM 706 CD ARG 102 3.523 23.994 -5.564 1.00 0.00 ATOM 707 NE ARG 102 4.401 25.148 -5.390 1.00 0.00 ATOM 708 CZ ARG 102 4.568 26.103 -6.301 1.00 0.00 ATOM 709 NH1 ARG 102 5.389 27.116 -6.056 1.00 0.00 ATOM 710 NH2 ARG 102 3.917 26.041 -7.454 1.00 0.00 ATOM 711 O ARG 102 0.681 19.937 -3.135 1.00 0.00 ATOM 712 C ARG 102 1.726 19.740 -3.698 1.00 0.00 ATOM 713 N ASN 103 1.917 18.725 -4.516 1.00 0.00 ATOM 714 CA ASN 103 0.897 17.704 -4.744 1.00 0.00 ATOM 715 CB ASN 103 1.366 16.705 -5.805 1.00 0.00 ATOM 716 CG ASN 103 1.355 17.292 -7.203 1.00 0.00 ATOM 717 ND2 ASN 103 2.099 16.671 -8.110 1.00 0.00 ATOM 718 OD1 ASN 103 0.685 18.292 -7.462 1.00 0.00 ATOM 719 O ASN 103 -0.454 16.935 -2.906 1.00 0.00 ATOM 720 C ASN 103 0.667 16.975 -3.382 1.00 0.00 ATOM 721 N LEU 104 1.737 16.445 -2.758 1.00 0.00 ATOM 722 CA LEU 104 1.605 15.782 -1.456 1.00 0.00 ATOM 723 CB LEU 104 2.977 15.351 -0.934 1.00 0.00 ATOM 724 CG LEU 104 2.992 14.628 0.415 1.00 0.00 ATOM 725 CD1 LEU 104 2.196 13.334 0.341 1.00 0.00 ATOM 726 CD2 LEU 104 4.416 14.286 0.826 1.00 0.00 ATOM 727 O LEU 104 0.075 16.314 0.322 1.00 0.00 ATOM 728 C LEU 104 0.975 16.718 -0.421 1.00 0.00 ATOM 729 N TYR 105 1.435 17.981 -0.398 1.00 0.00 ATOM 730 CA TYR 105 0.890 18.985 0.533 1.00 0.00 ATOM 731 CB TYR 105 1.590 20.330 0.342 1.00 0.00 ATOM 732 CG TYR 105 1.068 21.428 1.242 1.00 0.00 ATOM 733 CD1 TYR 105 1.448 21.493 2.575 1.00 0.00 ATOM 734 CD2 TYR 105 0.197 22.393 0.754 1.00 0.00 ATOM 735 CE1 TYR 105 0.976 22.492 3.407 1.00 0.00 ATOM 736 CE2 TYR 105 -0.285 23.399 1.570 1.00 0.00 ATOM 737 CZ TYR 105 0.113 23.442 2.906 1.00 0.00 ATOM 738 OH TYR 105 -0.359 24.438 3.730 1.00 0.00 ATOM 739 O TYR 105 -1.334 19.456 1.310 1.00 0.00 ATOM 740 C TYR 105 -0.615 19.230 0.342 1.00 0.00 ATOM 741 N GLY 106 -1.069 19.246 -0.913 1.00 0.00 ATOM 742 CA GLY 106 -2.518 19.362 -1.230 1.00 0.00 ATOM 743 O GLY 106 -4.478 18.253 -0.403 1.00 0.00 ATOM 744 C GLY 106 -3.333 18.131 -0.839 1.00 0.00 ATOM 745 N ASN 107 -2.749 16.950 -0.968 1.00 0.00 ATOM 746 CA ASN 107 -3.372 15.728 -0.436 1.00 0.00 ATOM 747 CB ASN 107 -2.495 14.508 -0.726 1.00 0.00 ATOM 748 CG ASN 107 -2.520 14.106 -2.188 1.00 0.00 ATOM 749 ND2 ASN 107 -1.518 13.343 -2.607 1.00 0.00 ATOM 750 OD1 ASN 107 -3.431 14.478 -2.928 1.00 0.00 ATOM 751 O ASN 107 -4.674 15.502 1.656 1.00 0.00 ATOM 752 C ASN 107 -3.578 15.814 1.118 1.00 0.00 ATOM 753 N ARG 108 -2.515 16.207 1.813 1.00 0.00 ATOM 754 CA ARG 108 -2.518 16.327 3.268 1.00 0.00 ATOM 755 CB ARG 108 -1.130 16.721 3.777 1.00 0.00 ATOM 756 CG ARG 108 -0.089 15.620 3.655 1.00 0.00 ATOM 757 CD ARG 108 1.274 16.093 4.133 1.00 0.00 ATOM 758 NE ARG 108 2.296 15.061 3.977 1.00 0.00 ATOM 759 CZ ARG 108 3.583 15.235 4.267 1.00 0.00 ATOM 760 NH1 ARG 108 4.440 14.239 4.093 1.00 0.00 ATOM 761 NH2 ARG 108 4.006 16.403 4.729 1.00 0.00 ATOM 762 O ARG 108 -4.334 17.167 4.649 1.00 0.00 ATOM 763 C ARG 108 -3.518 17.397 3.732 1.00 0.00 ATOM 764 N ALA 109 -3.480 18.539 3.046 1.00 0.00 ATOM 765 CA ALA 109 -4.429 19.612 3.267 1.00 0.00 ATOM 766 CB ALA 109 -4.224 20.720 2.244 1.00 0.00 ATOM 767 O ALA 109 -6.665 19.424 3.997 1.00 0.00 ATOM 768 C ALA 109 -5.879 19.114 3.144 1.00 0.00 ATOM 769 N LYS 110 -6.201 18.354 2.101 1.00 0.00 ATOM 770 CA LYS 110 -7.569 17.825 1.904 1.00 0.00 ATOM 771 CB LYS 110 -7.660 17.051 0.587 1.00 0.00 ATOM 772 CG LYS 110 -9.050 16.520 0.274 1.00 0.00 ATOM 773 CD LYS 110 -10.019 17.652 -0.024 1.00 0.00 ATOM 774 CE LYS 110 -11.371 17.120 -0.469 1.00 0.00 ATOM 775 NZ LYS 110 -12.328 18.218 -0.773 1.00 0.00 ATOM 776 O LYS 110 -9.087 16.910 3.562 1.00 0.00 ATOM 777 C LYS 110 -7.953 16.875 3.051 1.00 0.00 ATOM 778 N ARG 111 -7.004 16.026 3.443 1.00 0.00 ATOM 779 CA ARG 111 -7.194 15.158 4.617 1.00 0.00 ATOM 780 CB ARG 111 -5.958 14.286 4.844 1.00 0.00 ATOM 781 CG ARG 111 -6.093 13.308 6.000 1.00 0.00 ATOM 782 CD ARG 111 -4.800 12.539 6.226 1.00 0.00 ATOM 783 NE ARG 111 -3.717 13.411 6.675 1.00 0.00 ATOM 784 CZ ARG 111 -3.588 13.864 7.918 1.00 0.00 ATOM 785 NH1 ARG 111 -2.570 14.651 8.233 1.00 0.00 ATOM 786 NH2 ARG 111 -4.475 13.525 8.842 1.00 0.00 ATOM 787 O ARG 111 -8.311 15.566 6.725 1.00 0.00 ATOM 788 C ARG 111 -7.435 15.935 5.922 1.00 0.00 ATOM 789 N GLU 112 -6.626 16.978 6.158 1.00 0.00 ATOM 790 CA GLU 112 -6.811 17.862 7.329 1.00 0.00 ATOM 791 CB GLU 112 -5.782 18.993 7.315 1.00 0.00 ATOM 792 CG GLU 112 -4.360 18.543 7.610 1.00 0.00 ATOM 793 CD GLU 112 -3.352 19.666 7.467 1.00 0.00 ATOM 794 OE1 GLU 112 -3.754 20.777 7.066 1.00 0.00 ATOM 795 OE2 GLU 112 -2.159 19.432 7.756 1.00 0.00 ATOM 796 O GLU 112 -8.892 18.548 8.385 1.00 0.00 ATOM 797 C GLU 112 -8.220 18.495 7.331 1.00 0.00 ATOM 798 N GLU 113 -8.657 18.969 6.166 1.00 0.00 ATOM 799 CA GLU 113 -9.989 19.587 6.042 1.00 0.00 ATOM 800 CB GLU 113 -10.180 20.170 4.640 1.00 0.00 ATOM 801 CG GLU 113 -9.330 21.398 4.357 1.00 0.00 ATOM 802 CD GLU 113 -9.453 21.874 2.923 1.00 0.00 ATOM 803 OE1 GLU 113 -10.146 21.201 2.132 1.00 0.00 ATOM 804 OE2 GLU 113 -8.854 22.920 2.591 1.00 0.00 ATOM 805 O GLU 113 -12.083 18.858 6.971 1.00 0.00 ATOM 806 C GLU 113 -11.107 18.573 6.282 1.00 0.00 ATOM 807 N TRP 114 -10.925 17.371 5.753 1.00 0.00 ATOM 808 CA TRP 114 -11.853 16.256 5.994 1.00 0.00 ATOM 809 CB TRP 114 -11.368 14.991 5.283 1.00 0.00 ATOM 810 CG TRP 114 -12.242 13.798 5.517 1.00 0.00 ATOM 811 CD1 TRP 114 -11.969 12.727 6.319 1.00 0.00 ATOM 812 CD2 TRP 114 -13.533 13.555 4.947 1.00 0.00 ATOM 813 CE2 TRP 114 -13.983 12.316 5.445 1.00 0.00 ATOM 814 CE3 TRP 114 -14.353 14.261 4.061 1.00 0.00 ATOM 815 NE1 TRP 114 -13.009 11.830 6.281 1.00 0.00 ATOM 816 CZ2 TRP 114 -15.216 11.771 5.088 1.00 0.00 ATOM 817 CZ3 TRP 114 -15.574 13.717 3.711 1.00 0.00 ATOM 818 CH2 TRP 114 -15.995 12.486 4.221 1.00 0.00 ATOM 819 O TRP 114 -13.022 15.910 8.091 1.00 0.00 ATOM 820 C TRP 114 -11.942 15.973 7.521 1.00 0.00 ATOM 821 N LEU 115 -10.788 15.873 8.177 1.00 0.00 ATOM 822 CA LEU 115 -10.739 15.543 9.609 1.00 0.00 ATOM 823 CB LEU 115 -9.300 15.252 10.043 1.00 0.00 ATOM 824 CG LEU 115 -8.666 13.980 9.476 1.00 0.00 ATOM 825 CD1 LEU 115 -7.197 13.894 9.860 1.00 0.00 ATOM 826 CD2 LEU 115 -9.370 12.743 10.012 1.00 0.00 ATOM 827 O LEU 115 -11.916 16.503 11.483 1.00 0.00 ATOM 828 C LEU 115 -11.273 16.720 10.453 1.00 0.00 ATOM 829 N VAL 116 -11.023 17.955 9.995 1.00 0.00 ATOM 830 CA VAL 116 -11.589 19.142 10.648 1.00 0.00 ATOM 831 CB VAL 116 -11.179 20.436 9.921 1.00 0.00 ATOM 832 CG1 VAL 116 -11.932 21.629 10.490 1.00 0.00 ATOM 833 CG2 VAL 116 -9.688 20.689 10.082 1.00 0.00 ATOM 834 O VAL 116 -13.743 19.464 11.667 1.00 0.00 ATOM 835 C VAL 116 -13.132 19.100 10.673 1.00 0.00 ATOM 836 N ARG 117 -13.765 18.634 9.599 1.00 0.00 ATOM 837 CA ARG 117 -15.236 18.495 9.604 1.00 0.00 ATOM 838 CB ARG 117 -15.743 18.100 8.215 1.00 0.00 ATOM 839 CG ARG 117 -15.644 19.208 7.179 1.00 0.00 ATOM 840 CD ARG 117 -16.089 18.724 5.808 1.00 0.00 ATOM 841 NE ARG 117 -15.995 19.776 4.801 1.00 0.00 ATOM 842 CZ ARG 117 -16.248 19.597 3.508 1.00 0.00 ATOM 843 NH1 ARG 117 -16.137 20.613 2.663 1.00 0.00 ATOM 844 NH2 ARG 117 -16.612 18.402 3.062 1.00 0.00 ATOM 845 O ARG 117 -16.732 17.599 11.282 1.00 0.00 ATOM 846 C ARG 117 -15.709 17.422 10.596 1.00 0.00 ATOM 847 N ALA 118 -14.965 16.318 10.660 1.00 0.00 ATOM 848 CA ALA 118 -15.261 15.205 11.564 1.00 0.00 ATOM 849 CB ALA 118 -14.277 14.066 11.343 1.00 0.00 ATOM 850 O ALA 118 -16.092 15.484 13.815 1.00 0.00 ATOM 851 C ALA 118 -15.158 15.664 13.017 1.00 0.00 ATOM 852 N MET 119 -14.027 16.281 13.349 1.00 0.00 ATOM 853 CA MET 119 -13.801 16.751 14.724 1.00 0.00 ATOM 854 CB MET 119 -12.383 17.306 14.874 1.00 0.00 ATOM 855 CG MET 119 -11.292 16.250 14.803 1.00 0.00 ATOM 856 SD MET 119 -9.664 16.900 15.223 1.00 0.00 ATOM 857 CE MET 119 -9.275 17.823 13.737 1.00 0.00 ATOM 858 O MET 119 -15.177 17.991 16.299 1.00 0.00 ATOM 859 C MET 119 -14.783 17.869 15.117 1.00 0.00 ATOM 860 N ALA 121 -15.213 18.662 14.142 1.00 0.00 ATOM 861 CA ALA 121 -16.271 19.640 14.388 1.00 0.00 ATOM 862 CB ALA 121 -16.497 20.497 13.154 1.00 0.00 ATOM 863 O ALA 121 -18.313 19.366 15.682 1.00 0.00 ATOM 864 C ALA 121 -17.621 18.967 14.744 1.00 0.00 ATOM 865 N CYS 122 -18.000 17.948 13.981 1.00 0.00 ATOM 866 CA CYS 122 -19.232 17.187 14.278 1.00 0.00 ATOM 867 CB CYS 122 -19.444 16.083 13.240 1.00 0.00 ATOM 868 SG CYS 122 -19.866 16.683 11.588 1.00 0.00 ATOM 869 O CYS 122 -20.216 16.512 16.385 1.00 0.00 ATOM 870 C CYS 122 -19.208 16.510 15.651 1.00 0.00 ATOM 871 N LEU 123 -18.052 15.942 15.990 1.00 0.00 ATOM 872 CA LEU 123 -17.858 15.262 17.267 1.00 0.00 ATOM 873 CB LEU 123 -16.501 14.557 17.297 1.00 0.00 ATOM 874 CG LEU 123 -16.337 13.361 16.355 1.00 0.00 ATOM 875 CD1 LEU 123 -14.902 12.856 16.374 1.00 0.00 ATOM 876 CD2 LEU 123 -17.249 12.219 16.771 1.00 0.00 ATOM 877 O LEU 123 -18.342 15.845 19.544 1.00 0.00 ATOM 878 C LEU 123 -17.899 16.219 18.452 1.00 0.00 ATOM 879 N ASP 124 -17.410 17.437 18.241 1.00 0.00 ATOM 880 CA ASP 124 -17.319 18.420 19.315 1.00 0.00 ATOM 881 CB ASP 124 -18.363 18.134 20.396 1.00 0.00 ATOM 882 CG ASP 124 -19.774 18.453 19.942 1.00 0.00 ATOM 883 OD1 ASP 124 -19.925 19.112 18.892 1.00 0.00 ATOM 884 OD2 ASP 124 -20.728 18.044 20.637 1.00 0.00 ATOM 885 O ASP 124 -15.268 17.348 19.902 1.00 0.00 ATOM 886 C ASP 124 -15.941 18.368 19.942 1.00 0.00 ATOM 887 N GLU 125 -15.548 19.473 20.557 1.00 0.00 ATOM 888 CA GLU 125 -14.230 19.636 21.144 1.00 0.00 ATOM 889 CB GLU 125 -14.115 20.994 21.838 1.00 0.00 ATOM 890 CG GLU 125 -12.748 21.268 22.445 1.00 0.00 ATOM 891 CD GLU 125 -12.662 22.636 23.092 1.00 0.00 ATOM 892 OE1 GLU 125 -13.669 23.375 23.055 1.00 0.00 ATOM 893 OE2 GLU 125 -11.589 22.969 23.637 1.00 0.00 ATOM 894 O GLU 125 -12.813 17.955 22.119 1.00 0.00 ATOM 895 C GLU 125 -13.887 18.569 22.199 1.00 0.00 ATOM 896 N SER 126 -14.786 18.376 23.176 1.00 0.00 ATOM 897 CA SER 126 -14.579 17.435 24.299 1.00 0.00 ATOM 898 CB SER 126 -15.784 17.454 25.242 1.00 0.00 ATOM 899 OG SER 126 -15.900 18.704 25.897 1.00 0.00 ATOM 900 O SER 126 -13.427 15.338 24.153 1.00 0.00 ATOM 901 C SER 126 -14.393 16.003 23.797 1.00 0.00 ATOM 902 N GLU 127 -15.295 15.548 22.936 1.00 0.00 ATOM 903 CA GLU 127 -15.181 14.194 22.404 1.00 0.00 ATOM 904 CB GLU 127 -16.419 13.834 21.581 1.00 0.00 ATOM 905 CG GLU 127 -17.682 13.651 22.409 1.00 0.00 ATOM 906 CD GLU 127 -18.911 13.418 21.551 1.00 0.00 ATOM 907 OE1 GLU 127 -18.788 13.473 20.309 1.00 0.00 ATOM 908 OE2 GLU 127 -19.997 13.182 22.121 1.00 0.00 ATOM 909 O GLU 127 -13.261 13.008 21.559 1.00 0.00 ATOM 910 C GLU 127 -13.947 14.021 21.484 1.00 0.00 ATOM 911 N ARG 128 -13.673 15.002 20.632 1.00 0.00 ATOM 912 CA ARG 128 -12.483 14.961 19.772 1.00 0.00 ATOM 913 CB ARG 128 -12.384 16.235 18.932 1.00 0.00 ATOM 914 CG ARG 128 -11.169 16.283 18.019 1.00 0.00 ATOM 915 CD ARG 128 -11.216 15.174 16.980 1.00 0.00 ATOM 916 NE ARG 128 -10.085 15.240 16.057 1.00 0.00 ATOM 917 CZ ARG 128 -9.777 14.288 15.183 1.00 0.00 ATOM 918 NH1 ARG 128 -8.729 14.435 14.384 1.00 0.00 ATOM 919 NH2 ARG 128 -10.519 13.191 15.111 1.00 0.00 ATOM 920 O ARG 128 -10.284 14.150 20.132 1.00 0.00 ATOM 921 C ARG 128 -11.194 14.840 20.573 1.00 0.00 ATOM 922 N ALA 129 -11.108 15.562 21.698 1.00 0.00 ATOM 923 CA ALA 129 -9.964 15.502 22.619 1.00 0.00 ATOM 924 CB ALA 129 -10.155 16.483 23.766 1.00 0.00 ATOM 925 O ALA 129 -8.667 13.583 23.250 1.00 0.00 ATOM 926 C ALA 129 -9.787 14.114 23.222 1.00 0.00 ATOM 927 N LEU 130 -10.897 13.541 23.697 1.00 0.00 ATOM 928 CA LEU 130 -10.894 12.188 24.235 1.00 0.00 ATOM 929 CB LEU 130 -12.308 11.769 24.641 1.00 0.00 ATOM 930 CG LEU 130 -12.459 10.356 25.209 1.00 0.00 ATOM 931 CD1 LEU 130 -11.651 10.202 26.488 1.00 0.00 ATOM 932 CD2 LEU 130 -13.917 10.060 25.529 1.00 0.00 ATOM 933 O LEU 130 -9.528 10.365 23.506 1.00 0.00 ATOM 934 C LEU 130 -10.379 11.203 23.192 1.00 0.00 ATOM 935 N LEU 131 -10.904 11.312 21.967 1.00 0.00 ATOM 936 CA LEU 131 -10.557 10.420 20.873 1.00 0.00 ATOM 937 CB LEU 131 -11.434 10.706 19.653 1.00 0.00 ATOM 938 CG LEU 131 -12.914 10.340 19.779 1.00 0.00 ATOM 939 CD1 LEU 131 -13.697 10.837 18.574 1.00 0.00 ATOM 940 CD2 LEU 131 -13.090 8.832 19.872 1.00 0.00 ATOM 941 O LEU 131 -8.394 9.640 20.206 1.00 0.00 ATOM 942 C LEU 131 -9.090 10.616 20.476 1.00 0.00 ATOM 943 N ALA 132 -8.624 11.861 20.452 1.00 0.00 ATOM 944 CA ALA 132 -7.216 12.121 20.152 1.00 0.00 ATOM 945 CB ALA 132 -6.948 13.618 20.126 1.00 0.00 ATOM 946 O ALA 132 -5.288 10.860 20.855 1.00 0.00 ATOM 947 C ALA 132 -6.282 11.491 21.204 1.00 0.00 ATOM 948 N ALA 133 -6.635 11.598 22.477 1.00 0.00 ATOM 949 CA ALA 133 -5.854 10.925 23.527 1.00 0.00 ATOM 950 CB ALA 133 -6.464 11.192 24.895 1.00 0.00 ATOM 951 O ALA 133 -4.749 8.824 23.509 1.00 0.00 ATOM 952 C ALA 133 -5.806 9.421 23.335 1.00 0.00 ATOM 953 N ALA 134 -6.931 8.813 22.970 1.00 0.00 ATOM 954 CA ALA 134 -6.961 7.376 22.703 1.00 0.00 ATOM 955 CB ALA 134 -8.380 6.925 22.392 1.00 0.00 ATOM 956 O ALA 134 -5.440 5.940 21.573 1.00 0.00 ATOM 957 C ALA 134 -6.096 6.984 21.527 1.00 0.00 ATOM 958 N GLY 135 -6.144 7.782 20.460 1.00 0.00 ATOM 959 CA GLY 135 -5.332 7.527 19.256 1.00 0.00 ATOM 960 O GLY 135 -3.026 6.952 19.010 1.00 0.00 ATOM 961 C GLY 135 -3.846 7.685 19.547 1.00 0.00 ATOM 962 N PRO 136 -3.493 8.644 20.402 1.00 0.00 ATOM 963 CA PRO 136 -2.093 8.775 20.829 1.00 0.00 ATOM 964 CB PRO 136 -2.100 10.006 21.739 1.00 0.00 ATOM 965 CG PRO 136 -3.232 10.836 21.236 1.00 0.00 ATOM 966 CD PRO 136 -4.318 9.872 20.852 1.00 0.00 ATOM 967 O PRO 136 -0.547 6.961 21.344 1.00 0.00 ATOM 968 C PRO 136 -1.635 7.513 21.585 1.00 0.00 ATOM 969 N LEU 137 -2.489 7.027 22.474 1.00 0.00 ATOM 970 CA LEU 137 -2.226 5.743 23.131 1.00 0.00 ATOM 971 CB LEU 137 -3.361 5.392 24.096 1.00 0.00 ATOM 972 CG LEU 137 -3.228 4.064 24.842 1.00 0.00 ATOM 973 CD1 LEU 137 -1.986 4.064 25.722 1.00 0.00 ATOM 974 CD2 LEU 137 -4.440 3.824 25.730 1.00 0.00 ATOM 975 O LEU 137 -1.166 3.781 22.293 1.00 0.00 ATOM 976 C LEU 137 -2.096 4.583 22.171 1.00 0.00 ATOM 977 N LEU 138 -3.018 4.484 21.212 1.00 0.00 ATOM 978 CA LEU 138 -2.958 3.413 20.218 1.00 0.00 ATOM 979 CB LEU 138 -4.162 3.486 19.278 1.00 0.00 ATOM 980 CG LEU 138 -5.522 3.137 19.887 1.00 0.00 ATOM 981 CD1 LEU 138 -6.643 3.426 18.902 1.00 0.00 ATOM 982 CD2 LEU 138 -5.581 1.663 20.259 1.00 0.00 ATOM 983 O LEU 138 -0.980 2.545 19.139 1.00 0.00 ATOM 984 C LEU 138 -1.670 3.540 19.381 1.00 0.00 ATOM 985 N THR 139 -1.352 4.764 18.951 1.00 0.00 ATOM 986 CA THR 139 -0.132 5.021 18.155 1.00 0.00 ATOM 987 CB THR 139 0.023 6.519 17.829 1.00 0.00 ATOM 988 CG2 THR 139 1.303 6.764 17.045 1.00 0.00 ATOM 989 OG1 THR 139 -1.092 6.958 17.044 1.00 0.00 ATOM 990 O THR 139 2.051 3.957 18.344 1.00 0.00 ATOM 991 C THR 139 1.133 4.576 18.924 1.00 0.00 ATOM 992 N ARG 140 1.136 4.892 20.221 1.00 0.00 ATOM 993 CA ARG 140 2.191 4.535 21.166 1.00 0.00 ATOM 994 CB ARG 140 1.852 5.045 22.567 1.00 0.00 ATOM 995 CG ARG 140 2.930 4.775 23.604 1.00 0.00 ATOM 996 CD ARG 140 2.489 5.223 24.987 1.00 0.00 ATOM 997 NE ARG 140 1.366 4.433 25.487 1.00 0.00 ATOM 998 CZ ARG 140 1.478 3.211 25.993 1.00 0.00 ATOM 999 NH1 ARG 140 0.401 2.568 26.423 1.00 0.00 ATOM 1000 NH2 ARG 140 2.669 2.631 26.069 1.00 0.00 ATOM 1001 O ARG 140 3.533 2.576 21.171 1.00 0.00 ATOM 1002 C ARG 140 2.401 3.039 21.272 1.00 0.00 ATOM 1003 N LEU 141 1.314 2.283 21.469 1.00 0.00 ATOM 1004 CA LEU 141 1.393 0.829 21.550 1.00 0.00 ATOM 1005 CB LEU 141 0.037 0.239 21.938 1.00 0.00 ATOM 1006 CG LEU 141 -0.440 0.517 23.365 1.00 0.00 ATOM 1007 CD1 LEU 141 -1.869 0.031 23.558 1.00 0.00 ATOM 1008 CD2 LEU 141 0.445 -0.195 24.376 1.00 0.00 ATOM 1009 O LEU 141 2.574 -0.738 20.202 1.00 0.00 ATOM 1010 C LEU 141 1.804 0.218 20.223 1.00 0.00 ATOM 1011 N ALA 142 1.330 0.786 19.106 1.00 0.00 ATOM 1012 CA ALA 142 1.732 0.302 17.781 1.00 0.00 ATOM 1013 CB ALA 142 0.968 1.040 16.692 1.00 0.00 ATOM 1014 O ALA 142 3.882 -0.343 16.998 1.00 0.00 ATOM 1015 C ALA 142 3.216 0.515 17.536 1.00 0.00 ATOM 1016 N GLN 143 3.716 1.690 17.867 1.00 0.00 ATOM 1017 CA GLN 143 5.163 1.987 17.768 1.00 0.00 ATOM 1018 CB GLN 143 5.466 3.370 18.349 1.00 0.00 ATOM 1019 CG GLN 143 6.925 3.784 18.237 1.00 0.00 ATOM 1020 CD GLN 143 7.184 5.166 18.802 1.00 0.00 ATOM 1021 OE1 GLN 143 6.291 5.789 19.377 1.00 0.00 ATOM 1022 NE2 GLN 143 8.409 5.651 18.639 1.00 0.00 ATOM 1023 O GLN 143 7.172 0.644 18.017 1.00 0.00 ATOM 1024 C GLN 143 6.075 1.005 18.510 1.00 0.00 ATOM 1025 N PHE 144 5.620 0.599 19.688 1.00 0.00 ATOM 1026 CA PHE 144 6.315 -0.318 20.568 1.00 0.00 ATOM 1027 CB PHE 144 5.584 -0.433 21.908 1.00 0.00 ATOM 1028 CG PHE 144 6.352 -1.188 22.955 1.00 0.00 ATOM 1029 CD1 PHE 144 7.411 -0.596 23.620 1.00 0.00 ATOM 1030 CD2 PHE 144 6.014 -2.492 23.276 1.00 0.00 ATOM 1031 CE1 PHE 144 8.117 -1.290 24.582 1.00 0.00 ATOM 1032 CE2 PHE 144 6.720 -3.186 24.239 1.00 0.00 ATOM 1033 CZ PHE 144 7.768 -2.592 24.891 1.00 0.00 ATOM 1034 O PHE 144 7.338 -2.447 20.258 1.00 0.00 ATOM 1035 C PHE 144 6.401 -1.710 19.957 1.00 0.00 TER END