PFRMAT TS TARGET T0466 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. 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 PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD 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 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 METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. 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 settings on the SAM alignment software. 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. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. 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 We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD For T0466, SAM was unable to find a strongly-predicted template. METHOD The strongest hit (2pwwA) had an E-value over 33. METHOD METHOD I ended up with 3 anti-parallel barrel models and 2 beta sandwiches. METHOD I've put the SAM+undertaker models first, because I personally like METHOD barrels better than sandwiches. Model 1 also has the best Rosetta METHOD energy of any of the models for which rosetta repacked sidechains, METHOD though this is largely a function of how well clashes are removed, METHOD since the second-best rosetta energy came from a model that was very METHOD loose foam. METHOD METHOD Model METHOD 1 T0466.try11-opt3.gromacs0.repack-nonPC.pdb # < try5-opt3 < align(1nvmA) METHOD # best Rosetta energy METHOD METHOD 2 T0466.try10-opt3.pdb # < try6-opt3 < try4-opt3 < try2-opt3 < align(2vbuA) METHOD METHOD 3 T0466.try8-opt3.pdb # < fais-server_TS3 METHOD METHOD 4 T0466.try7-opt3.pdb # < MULTICOM-CLUSTER_TS3 METHOD METHOD 5 T0466.MQAU1-opt3.pdb # < GS-KudlatyPred_TS3 METHOD METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0466 model 5 Mon Jul 21 13:26:50 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 37.864 47.973 20.587 1.00 0.00 ATOM 2 CA MET 1 37.234 46.925 19.819 1.00 0.00 ATOM 3 CB MET 1 38.360 45.742 19.810 1.00 0.00 ATOM 4 CG MET 1 38.720 45.110 21.154 1.00 0.00 ATOM 5 SD MET 1 39.979 43.823 21.023 1.00 0.00 ATOM 6 CE MET 1 38.983 42.457 20.418 1.00 0.00 ATOM 7 O MET 1 35.837 46.731 21.759 1.00 0.00 ATOM 8 C MET 1 36.193 46.233 20.691 1.00 0.00 ATOM 9 N MET 2 35.705 45.083 20.234 1.00 0.00 ATOM 10 CA MET 2 34.690 44.315 20.995 1.00 0.00 ATOM 11 CB MET 2 33.880 43.377 20.606 1.00 0.00 ATOM 12 CG MET 2 32.934 43.005 21.806 1.00 0.00 ATOM 13 SD MET 2 31.718 41.778 21.404 1.00 0.00 ATOM 14 CE MET 2 30.677 42.913 20.481 1.00 0.00 ATOM 15 O MET 2 36.294 43.792 22.696 1.00 0.00 ATOM 16 C MET 2 35.125 44.078 22.432 1.00 0.00 ATOM 17 N ARG 3 34.185 44.196 23.364 1.00 0.00 ATOM 18 CA ARG 3 34.488 43.988 24.775 1.00 0.00 ATOM 19 CB ARG 3 34.032 45.137 25.662 1.00 0.00 ATOM 20 CG ARG 3 34.383 44.987 27.134 1.00 0.00 ATOM 21 CD ARG 3 33.987 46.143 27.979 1.00 0.00 ATOM 22 NE ARG 3 34.364 46.024 29.378 1.00 0.00 ATOM 23 CZ ARG 3 33.995 46.885 30.346 1.00 0.00 ATOM 24 NH1 ARG 3 33.273 47.946 30.068 1.00 0.00 ATOM 25 NH2 ARG 3 34.398 46.647 31.582 1.00 0.00 ATOM 26 O ARG 3 32.660 42.493 25.198 1.00 0.00 ATOM 27 C ARG 3 33.878 42.664 25.220 1.00 0.00 ATOM 28 N LEU 4 34.734 41.731 25.622 1.00 0.00 ATOM 29 CA LEU 4 34.286 40.399 26.010 1.00 0.00 ATOM 30 CB LEU 4 34.985 39.335 25.154 1.00 0.00 ATOM 31 CG LEU 4 34.376 39.113 23.764 1.00 0.00 ATOM 32 CD1 LEU 4 34.495 40.385 22.933 1.00 0.00 ATOM 33 CD2 LEU 4 35.083 37.954 23.077 1.00 0.00 ATOM 34 O LEU 4 35.603 40.481 28.014 1.00 0.00 ATOM 35 C LEU 4 34.543 40.141 27.489 1.00 0.00 ATOM 36 N ALA 5 33.566 39.537 28.158 1.00 0.00 ATOM 37 CA ALA 5 33.678 39.246 29.581 1.00 0.00 ATOM 38 CB ALA 5 32.559 39.933 30.353 1.00 0.00 ATOM 39 O ALA 5 32.830 37.016 29.328 1.00 0.00 ATOM 40 C ALA 5 33.668 37.746 29.861 1.00 0.00 ATOM 41 N ASN 6 34.619 37.271 30.652 1.00 0.00 ATOM 42 CA ASN 6 34.702 35.847 30.976 1.00 0.00 ATOM 43 CB ASN 6 33.579 35.450 31.917 1.00 0.00 ATOM 44 CG ASN 6 33.610 36.172 33.235 1.00 0.00 ATOM 45 ND2 ASN 6 34.559 35.804 34.059 1.00 0.00 ATOM 46 OD1 ASN 6 32.832 37.104 33.475 1.00 0.00 ATOM 47 O ASN 6 34.172 33.840 29.775 1.00 0.00 ATOM 48 C ASN 6 34.752 34.926 29.762 1.00 0.00 ATOM 49 N GLY 7 35.512 35.325 28.746 1.00 0.00 ATOM 50 CA GLY 7 35.635 34.525 27.544 1.00 0.00 ATOM 51 O GLY 7 34.572 34.076 25.429 1.00 0.00 ATOM 52 C GLY 7 34.545 34.696 26.493 1.00 0.00 ATOM 53 N ILE 8 33.618 35.581 26.691 1.00 0.00 ATOM 54 CA ILE 8 32.384 35.628 25.924 1.00 0.00 ATOM 55 CB ILE 8 31.180 35.298 26.827 1.00 0.00 ATOM 56 CG1 ILE 8 31.297 33.847 27.287 1.00 0.00 ATOM 57 CG2 ILE 8 29.850 35.542 26.096 1.00 0.00 ATOM 58 CD1 ILE 8 30.185 33.371 28.170 1.00 0.00 ATOM 59 O ILE 8 32.431 38.018 26.128 1.00 0.00 ATOM 60 C ILE 8 32.156 37.049 25.419 1.00 0.00 ATOM 61 N VAL 9 31.653 37.170 24.195 1.00 0.00 ATOM 62 CA VAL 9 31.389 38.487 23.608 1.00 0.00 ATOM 63 CB VAL 9 32.204 38.699 22.319 1.00 0.00 ATOM 64 CG1 VAL 9 31.875 37.620 21.297 1.00 0.00 ATOM 65 CG2 VAL 9 31.936 40.079 21.738 1.00 0.00 ATOM 66 O VAL 9 29.236 37.741 22.881 1.00 0.00 ATOM 67 C VAL 9 29.901 38.652 23.374 1.00 0.00 ATOM 68 N LEU 10 29.372 39.820 23.729 1.00 0.00 ATOM 69 CA LEU 10 27.951 40.092 23.548 1.00 0.00 ATOM 70 CB LEU 10 27.290 40.700 24.792 1.00 0.00 ATOM 71 CG LEU 10 26.887 39.691 25.875 1.00 0.00 ATOM 72 CD1 LEU 10 26.031 38.587 25.268 1.00 0.00 ATOM 73 CD2 LEU 10 28.135 39.113 26.522 1.00 0.00 ATOM 74 O LEU 10 28.580 41.997 22.236 1.00 0.00 ATOM 75 C LEU 10 27.799 41.055 22.379 1.00 0.00 ATOM 76 N ASP 11 26.829 40.786 21.511 1.00 0.00 ATOM 77 CA ASP 11 26.590 41.643 20.355 1.00 0.00 ATOM 78 CB ASP 11 25.930 40.824 19.244 1.00 0.00 ATOM 79 CG ASP 11 26.805 39.716 18.672 1.00 0.00 ATOM 80 OD1 ASP 11 27.902 40.006 18.258 1.00 0.00 ATOM 81 OD2 ASP 11 26.438 38.573 18.797 1.00 0.00 ATOM 82 O ASP 11 25.845 43.911 20.124 1.00 0.00 ATOM 83 C ASP 11 25.702 42.832 20.699 1.00 0.00 ATOM 84 N LYS 12 24.788 42.628 21.640 1.00 0.00 ATOM 85 CA LYS 12 23.828 43.662 22.013 1.00 0.00 ATOM 86 CB LYS 12 22.428 43.317 21.505 1.00 0.00 ATOM 87 CG LYS 12 21.425 44.459 21.605 1.00 0.00 ATOM 88 CD LYS 12 21.615 45.464 20.479 1.00 0.00 ATOM 89 CE LYS 12 20.464 46.457 20.420 1.00 0.00 ATOM 90 NZ LYS 12 20.757 47.597 19.511 1.00 0.00 ATOM 91 O LYS 12 23.795 42.881 24.281 1.00 0.00 ATOM 92 C LYS 12 23.755 43.841 23.514 1.00 0.00 ATOM 93 N ASP 13 23.553 45.097 23.953 1.00 0.00 ATOM 94 CA ASP 13 23.299 45.370 25.363 1.00 0.00 ATOM 95 CB ASP 13 23.210 46.881 25.597 1.00 0.00 ATOM 96 CG ASP 13 24.539 47.615 25.477 1.00 0.00 ATOM 97 OD1 ASP 13 25.555 46.963 25.451 1.00 0.00 ATOM 98 OD2 ASP 13 24.521 48.801 25.255 1.00 0.00 ATOM 99 O ASP 13 22.013 44.108 26.948 1.00 0.00 ATOM 100 C ASP 13 22.038 44.662 25.848 1.00 0.00 ATOM 101 N THR 14 20.992 44.682 25.028 1.00 0.00 ATOM 102 CA THR 14 19.739 44.036 25.388 1.00 0.00 ATOM 103 CB THR 14 18.632 44.382 24.375 1.00 0.00 ATOM 104 CG2 THR 14 17.330 43.690 24.749 1.00 0.00 ATOM 105 OG1 THR 14 18.426 45.801 24.355 1.00 0.00 ATOM 106 O THR 14 19.250 41.870 26.290 1.00 0.00 ATOM 107 C THR 14 19.876 42.522 25.454 1.00 0.00 ATOM 108 N THR 15 20.698 41.962 24.572 1.00 0.00 ATOM 109 CA THR 15 20.910 40.519 24.545 1.00 0.00 ATOM 110 CB THR 15 20.988 40.049 23.082 1.00 0.00 ATOM 111 CG2 THR 15 19.692 40.365 22.350 1.00 0.00 ATOM 112 OG1 THR 15 22.077 40.710 22.423 1.00 0.00 ATOM 113 O THR 15 22.632 38.937 25.079 1.00 0.00 ATOM 114 C THR 15 22.164 40.059 25.280 1.00 0.00 ATOM 115 N PHE 16 22.707 40.925 26.130 1.00 0.00 ATOM 116 CA PHE 16 23.886 40.589 26.871 1.00 0.00 ATOM 117 CB PHE 16 24.333 41.854 27.682 1.00 0.00 ATOM 118 CG PHE 16 25.636 41.681 28.420 1.00 0.00 ATOM 119 CD1 PHE 16 25.703 40.922 29.586 1.00 0.00 ATOM 120 CD2 PHE 16 26.804 42.261 27.933 1.00 0.00 ATOM 121 CE1 PHE 16 26.911 40.740 30.258 1.00 0.00 ATOM 122 CE2 PHE 16 28.020 42.087 28.596 1.00 0.00 ATOM 123 CZ PHE 16 28.072 41.325 29.761 1.00 0.00 ATOM 124 O PHE 16 24.475 38.528 27.947 1.00 0.00 ATOM 125 C PHE 16 23.619 39.398 27.785 1.00 0.00 ATOM 126 N GLY 17 22.450 39.385 28.417 1.00 0.00 ATOM 127 CA GLY 17 22.088 38.293 29.317 1.00 0.00 ATOM 128 O GLY 17 22.501 35.943 29.151 1.00 0.00 ATOM 129 C GLY 17 22.041 36.951 28.611 1.00 0.00 ATOM 130 N GLU 18 21.465 36.931 27.402 1.00 0.00 ATOM 131 CA GLU 18 21.371 35.703 26.618 1.00 0.00 ATOM 132 CB GLU 18 20.784 36.363 25.122 1.00 0.00 ATOM 133 CG GLU 18 19.751 37.474 25.128 1.00 0.00 ATOM 134 CD GLU 18 18.407 37.006 25.644 1.00 0.00 ATOM 135 OE1 GLU 18 17.950 35.926 25.217 1.00 0.00 ATOM 136 OE2 GLU 18 17.805 37.725 26.465 1.00 0.00 ATOM 137 O GLU 18 23.002 33.945 26.412 1.00 0.00 ATOM 138 C GLU 18 22.767 35.151 26.296 1.00 0.00 ATOM 139 N LEU 19 23.693 36.066 26.008 1.00 0.00 ATOM 140 CA LEU 19 25.067 35.635 25.737 1.00 0.00 ATOM 141 CB LEU 19 25.893 36.753 25.162 1.00 0.00 ATOM 142 CG LEU 19 26.106 36.853 23.687 1.00 0.00 ATOM 143 CD1 LEU 19 26.947 35.729 23.035 1.00 0.00 ATOM 144 CD2 LEU 19 24.776 36.903 22.975 1.00 0.00 ATOM 145 O LEU 19 26.389 34.104 27.022 1.00 0.00 ATOM 146 C LEU 19 25.694 35.126 27.052 1.00 0.00 ATOM 147 N LYS 20 25.451 35.773 28.190 1.00 0.00 ATOM 148 CA LYS 20 26.003 35.216 29.438 1.00 0.00 ATOM 149 CB LYS 20 25.811 36.226 30.571 1.00 0.00 ATOM 150 CG LYS 20 26.519 35.844 31.852 1.00 0.00 ATOM 151 CD LYS 20 26.397 36.942 32.890 1.00 0.00 ATOM 152 CE LYS 20 27.136 36.563 34.158 1.00 0.00 ATOM 153 NZ LYS 20 26.620 35.279 34.706 1.00 0.00 ATOM 154 O LYS 20 26.165 32.919 30.112 1.00 0.00 ATOM 155 C LYS 20 25.445 33.816 29.672 1.00 0.00 ATOM 156 N PHE 21 24.162 33.632 29.378 1.00 0.00 ATOM 157 CA PHE 21 23.509 32.316 29.560 1.00 0.00 ATOM 158 CB PHE 21 22.040 32.306 29.215 1.00 0.00 ATOM 159 CG PHE 21 21.156 32.736 30.368 1.00 0.00 ATOM 160 CD1 PHE 21 20.929 34.078 30.622 1.00 0.00 ATOM 161 CD2 PHE 21 20.523 31.803 31.187 1.00 0.00 ATOM 162 CE1 PHE 21 20.109 34.532 31.646 1.00 0.00 ATOM 163 CE2 PHE 21 19.676 32.249 32.220 1.00 0.00 ATOM 164 CZ PHE 21 19.470 33.635 32.438 1.00 0.00 ATOM 165 O PHE 21 24.314 30.113 29.056 1.00 0.00 ATOM 166 C PHE 21 24.169 31.273 28.665 1.00 0.00 ATOM 167 N SER 22 24.628 31.701 27.493 1.00 0.00 ATOM 168 CA SER 22 25.278 30.791 26.561 1.00 0.00 ATOM 169 CB SER 22 25.517 31.521 25.199 1.00 0.00 ATOM 170 OG SER 22 24.301 32.020 24.690 1.00 0.00 ATOM 171 O SER 22 26.840 28.982 26.741 1.00 0.00 ATOM 172 C SER 22 26.539 30.124 27.091 1.00 0.00 ATOM 173 N ALA 23 27.256 30.821 27.968 1.00 0.00 ATOM 174 CA ALA 23 28.481 30.279 28.542 1.00 0.00 ATOM 175 CB ALA 23 29.526 30.285 27.480 1.00 0.00 ATOM 176 O ALA 23 28.817 32.201 29.938 1.00 0.00 ATOM 177 C ALA 23 28.812 30.974 29.857 1.00 0.00 ATOM 178 N LEU 24 29.089 30.180 30.887 1.00 0.00 ATOM 179 CA LEU 24 29.508 30.716 32.176 1.00 0.00 ATOM 180 CB LEU 24 28.329 30.724 33.156 1.00 0.00 ATOM 181 CG LEU 24 28.700 30.975 34.624 1.00 0.00 ATOM 182 CD1 LEU 24 29.208 32.399 34.798 1.00 0.00 ATOM 183 CD2 LEU 24 27.486 30.723 35.505 1.00 0.00 ATOM 184 O LEU 24 30.681 28.707 32.765 1.00 0.00 ATOM 185 C LEU 24 30.671 29.939 32.786 1.00 0.00 ATOM 186 N ARG 25 31.647 30.659 33.329 1.00 0.00 ATOM 187 CA ARG 25 32.804 30.021 33.940 1.00 0.00 ATOM 188 CB ARG 25 34.023 30.034 33.030 1.00 0.00 ATOM 189 CG ARG 25 35.029 28.924 33.293 1.00 0.00 ATOM 190 CD ARG 25 36.101 29.285 34.255 1.00 0.00 ATOM 191 NE ARG 25 37.047 30.273 33.762 1.00 0.00 ATOM 192 CZ ARG 25 38.068 30.780 34.481 1.00 0.00 ATOM 193 NH1 ARG 25 38.255 30.427 35.733 1.00 0.00 ATOM 194 NH2 ARG 25 38.862 31.663 33.900 1.00 0.00 ATOM 195 O ARG 25 33.210 31.872 35.412 1.00 0.00 ATOM 196 C ARG 25 33.112 30.650 35.294 1.00 0.00 ATOM 197 N ARG 26 33.264 29.810 36.311 1.00 0.00 ATOM 198 CA ARG 26 33.518 30.284 37.665 1.00 0.00 ATOM 199 CB ARG 26 32.281 30.195 38.546 1.00 0.00 ATOM 200 CG ARG 26 31.133 31.102 38.131 1.00 0.00 ATOM 201 CD ARG 26 29.888 30.912 38.918 1.00 0.00 ATOM 202 NE ARG 26 30.018 31.214 40.334 1.00 0.00 ATOM 203 CZ ARG 26 29.058 30.996 41.255 1.00 0.00 ATOM 204 NH1 ARG 26 27.886 30.510 40.910 1.00 0.00 ATOM 205 NH2 ARG 26 29.317 31.307 42.513 1.00 0.00 ATOM 206 O ARG 26 34.828 28.340 38.155 1.00 0.00 ATOM 207 C ARG 26 34.701 29.557 38.291 1.00 0.00 ATOM 208 N GLU 27 35.492 30.286 39.070 1.00 0.00 ATOM 209 CA GLU 27 36.602 29.692 39.806 1.00 0.00 ATOM 210 CB GLU 27 37.941 30.189 39.254 1.00 0.00 ATOM 211 CG GLU 27 38.151 31.693 39.378 1.00 0.00 ATOM 212 CD GLU 27 39.455 32.114 38.761 1.00 0.00 ATOM 213 OE1 GLU 27 40.126 31.277 38.206 1.00 0.00 ATOM 214 OE2 GLU 27 39.727 33.291 38.741 1.00 0.00 ATOM 215 O GLU 27 36.022 31.061 41.688 1.00 0.00 ATOM 216 C GLU 27 36.499 29.995 41.296 1.00 0.00 ATOM 217 N VAL 28 36.947 29.058 42.125 1.00 0.00 ATOM 218 CA VAL 28 36.901 29.242 43.569 1.00 0.00 ATOM 219 CB VAL 28 35.814 28.409 44.274 1.00 0.00 ATOM 220 CG1 VAL 28 35.893 28.600 45.781 1.00 0.00 ATOM 221 CG2 VAL 28 34.433 28.790 43.762 1.00 0.00 ATOM 222 O VAL 28 38.852 27.864 43.789 1.00 0.00 ATOM 223 C VAL 28 38.261 28.882 44.151 1.00 0.00 ATOM 224 N ARG 29 38.755 29.721 45.054 1.00 0.00 ATOM 225 CA ARG 29 40.007 29.451 45.748 1.00 0.00 ATOM 226 CB ARG 29 40.989 30.594 45.514 1.00 0.00 ATOM 227 CG ARG 29 41.455 30.717 44.071 1.00 0.00 ATOM 228 CD ARG 29 42.154 32.043 43.859 1.00 0.00 ATOM 229 NE ARG 29 41.212 33.152 43.969 1.00 0.00 ATOM 230 CZ ARG 29 41.522 34.354 44.440 1.00 0.00 ATOM 231 NH1 ARG 29 42.756 34.611 44.852 1.00 0.00 ATOM 232 NH2 ARG 29 40.594 35.299 44.502 1.00 0.00 ATOM 233 O ARG 29 39.114 30.218 47.840 1.00 0.00 ATOM 234 C ARG 29 39.772 29.361 47.251 1.00 0.00 ATOM 235 N ILE 30 40.316 28.317 47.869 1.00 0.00 ATOM 236 CA ILE 30 40.245 28.160 49.316 1.00 0.00 ATOM 237 CB ILE 30 39.716 26.772 49.722 1.00 0.00 ATOM 238 CG1 ILE 30 38.357 26.506 49.070 1.00 0.00 ATOM 239 CG2 ILE 30 39.614 26.663 51.235 1.00 0.00 ATOM 240 CD1 ILE 30 37.293 27.511 49.446 1.00 0.00 ATOM 241 O ILE 30 42.533 27.575 49.735 1.00 0.00 ATOM 242 C ILE 30 41.626 28.387 49.915 1.00 0.00 ATOM 243 N GLN 31 41.780 29.496 50.630 1.00 0.00 ATOM 244 CA GLN 31 43.078 29.889 51.167 1.00 0.00 ATOM 245 CB GLN 31 43.306 31.395 51.015 1.00 0.00 ATOM 246 CG GLN 31 42.278 32.255 51.727 1.00 0.00 ATOM 247 CD GLN 31 42.543 33.739 51.552 1.00 0.00 ATOM 248 OE1 GLN 31 43.464 34.138 50.833 1.00 0.00 ATOM 249 NE2 GLN 31 41.741 34.565 52.214 1.00 0.00 ATOM 250 O GLN 31 42.172 29.372 53.330 1.00 0.00 ATOM 251 C GLN 31 43.182 29.498 52.637 1.00 0.00 ATOM 252 N ASN 32 44.411 29.299 53.105 1.00 0.00 ATOM 253 CA ASN 32 44.652 28.963 54.502 1.00 0.00 ATOM 254 CB ASN 32 45.800 27.980 54.646 1.00 0.00 ATOM 255 CG ASN 32 47.136 28.547 54.257 1.00 0.00 ATOM 256 ND2 ASN 32 48.095 27.673 54.092 1.00 0.00 ATOM 257 OD1 ASN 32 47.279 29.755 54.037 1.00 0.00 ATOM 258 O ASN 32 44.589 31.322 54.921 1.00 0.00 ATOM 259 C ASN 32 44.877 30.206 55.353 1.00 0.00 ATOM 260 N GLU 33 45.325 30.006 56.588 1.00 0.00 ATOM 261 CA GLU 33 45.578 31.123 57.491 1.00 0.00 ATOM 262 CB GLU 33 46.205 30.613 58.791 1.00 0.00 ATOM 263 CG GLU 33 46.356 31.671 59.873 1.00 0.00 ATOM 264 CD GLU 33 46.887 31.076 61.148 1.00 0.00 ATOM 265 OE1 GLU 33 47.151 29.897 61.167 1.00 0.00 ATOM 266 OE2 GLU 33 47.135 31.818 62.069 1.00 0.00 ATOM 267 O GLU 33 46.385 33.358 57.182 1.00 0.00 ATOM 268 C GLU 33 46.516 32.168 56.898 1.00 0.00 ATOM 269 N ASP 34 47.409 31.718 56.029 1.00 0.00 ATOM 270 CA ASP 34 48.344 32.630 55.360 1.00 0.00 ATOM 271 CB ASP 34 49.626 31.883 54.986 1.00 0.00 ATOM 272 CG ASP 34 50.498 31.496 56.175 1.00 0.00 ATOM 273 OD1 ASP 34 50.289 32.031 57.238 1.00 0.00 ATOM 274 OD2 ASP 34 51.255 30.564 56.051 1.00 0.00 ATOM 275 O ASP 34 48.347 34.020 53.438 1.00 0.00 ATOM 276 C ASP 34 47.707 33.259 54.128 1.00 0.00 ATOM 277 N GLY 35 46.458 32.940 53.835 1.00 0.00 ATOM 278 CA GLY 35 45.775 33.462 52.683 1.00 0.00 ATOM 279 O GLY 35 45.989 33.417 50.293 1.00 0.00 ATOM 280 C GLY 35 46.223 32.848 51.360 1.00 0.00 ATOM 281 N SER 36 46.865 31.687 51.433 1.00 0.00 ATOM 282 CA SER 36 47.335 31.009 50.232 1.00 0.00 ATOM 283 CB SER 36 48.710 30.332 50.478 1.00 0.00 ATOM 284 OG SER 36 48.590 29.240 51.372 1.00 0.00 ATOM 285 O SER 36 45.758 29.206 50.343 1.00 0.00 ATOM 286 C SER 36 46.287 30.072 49.646 1.00 0.00 ATOM 287 N VAL 37 45.990 30.244 48.362 1.00 0.00 ATOM 288 CA VAL 37 45.003 29.402 47.695 1.00 0.00 ATOM 289 CB VAL 37 44.559 30.082 46.362 1.00 0.00 ATOM 290 CG1 VAL 37 43.475 29.268 45.657 1.00 0.00 ATOM 291 CG2 VAL 37 44.105 31.511 46.618 1.00 0.00 ATOM 292 O VAL 37 46.337 27.689 46.673 1.00 0.00 ATOM 293 C VAL 37 45.499 27.969 47.531 1.00 0.00 ATOM 294 N SER 38 44.980 27.063 48.354 1.00 0.00 ATOM 295 CA SER 38 45.379 25.664 48.284 1.00 0.00 ATOM 296 CB SER 38 45.665 25.182 49.693 1.00 0.00 ATOM 297 OG SER 38 44.524 25.223 50.506 1.00 0.00 ATOM 298 O SER 38 44.592 23.633 47.284 1.00 0.00 ATOM 299 C SER 38 44.341 24.801 47.580 1.00 0.00 ATOM 300 N ASP 39 43.174 25.379 47.310 1.00 0.00 ATOM 301 CA ASP 39 42.107 24.648 46.636 1.00 0.00 ATOM 302 CB ASP 39 41.119 24.166 47.699 1.00 0.00 ATOM 303 CG ASP 39 40.126 23.120 47.210 1.00 0.00 ATOM 304 OD1 ASP 39 40.264 22.675 46.095 1.00 0.00 ATOM 305 OD2 ASP 39 39.340 22.659 48.002 1.00 0.00 ATOM 306 O ASP 39 41.424 26.661 45.577 1.00 0.00 ATOM 307 C ASP 39 41.566 25.461 45.460 1.00 0.00 ATOM 308 N GLU 40 41.296 24.797 44.467 1.00 0.00 ATOM 309 CA GLU 40 40.846 25.500 43.276 1.00 0.00 ATOM 310 CB GLU 40 41.946 25.548 42.237 1.00 0.00 ATOM 311 CG GLU 40 41.552 26.355 41.008 1.00 0.00 ATOM 312 CD GLU 40 42.694 26.543 40.022 1.00 0.00 ATOM 313 OE1 GLU 40 43.654 25.740 40.033 1.00 0.00 ATOM 314 OE2 GLU 40 42.630 27.506 39.239 1.00 0.00 ATOM 315 O GLU 40 39.773 23.492 42.518 1.00 0.00 ATOM 316 C GLU 40 39.659 24.679 42.803 1.00 0.00 ATOM 317 N ILE 41 38.484 25.325 42.757 1.00 0.00 ATOM 318 CA ILE 41 37.286 24.736 42.190 1.00 0.00 ATOM 319 CB ILE 41 36.219 24.531 43.282 1.00 0.00 ATOM 320 CG1 ILE 41 36.761 23.631 44.394 1.00 0.00 ATOM 321 CG2 ILE 41 34.952 23.939 42.683 1.00 0.00 ATOM 322 CD1 ILE 41 35.841 23.513 45.588 1.00 0.00 ATOM 323 O ILE 41 36.199 26.687 41.313 1.00 0.00 ATOM 324 C ILE 41 36.688 25.583 41.072 1.00 0.00 ATOM 325 N LYS 42 36.728 25.065 39.848 1.00 0.00 ATOM 326 CA LYS 42 36.185 25.786 38.705 1.00 0.00 ATOM 327 CB LYS 42 37.268 26.015 37.649 1.00 0.00 ATOM 328 CG LYS 42 38.424 26.890 38.116 1.00 0.00 ATOM 329 CD LYS 42 39.449 27.089 37.008 1.00 0.00 ATOM 330 CE LYS 42 40.238 25.814 36.747 1.00 0.00 ATOM 331 NZ LYS 42 41.276 26.008 35.699 1.00 0.00 ATOM 332 O LYS 42 35.200 23.903 37.593 1.00 0.00 ATOM 333 C LYS 42 35.016 24.997 38.124 1.00 0.00 ATOM 334 N GLU 43 33.814 25.556 38.225 1.00 0.00 ATOM 335 CA GLU 43 32.628 24.894 37.703 1.00 0.00 ATOM 336 CB GLU 43 31.488 24.947 38.721 1.00 0.00 ATOM 337 CG GLU 43 31.722 24.112 39.973 1.00 0.00 ATOM 338 CD GLU 43 30.577 24.240 40.938 1.00 0.00 ATOM 339 OE1 GLU 43 29.670 24.986 40.658 1.00 0.00 ATOM 340 OE2 GLU 43 30.553 23.509 41.900 1.00 0.00 ATOM 341 O GLU 43 32.384 26.770 36.228 1.00 0.00 ATOM 342 C GLU 43 32.277 25.552 36.373 1.00 0.00 ATOM 343 N ARG 44 31.858 24.745 35.403 1.00 0.00 ATOM 344 CA ARG 44 31.496 25.265 34.101 1.00 0.00 ATOM 345 CB ARG 44 32.239 24.576 32.965 1.00 0.00 ATOM 346 CG ARG 44 33.591 25.184 32.625 1.00 0.00 ATOM 347 CD ARG 44 34.660 24.892 33.615 1.00 0.00 ATOM 348 NE ARG 44 35.997 25.275 33.189 1.00 0.00 ATOM 349 CZ ARG 44 37.076 25.310 33.995 1.00 0.00 ATOM 350 NH1 ARG 44 36.975 25.025 35.275 1.00 0.00 ATOM 351 NH2 ARG 44 38.236 25.664 33.470 1.00 0.00 ATOM 352 O ARG 44 29.414 24.084 33.970 1.00 0.00 ATOM 353 C ARG 44 29.991 25.170 33.892 1.00 0.00 ATOM 354 N THR 45 29.356 26.307 33.627 1.00 0.00 ATOM 355 CA THR 45 27.914 26.333 33.408 1.00 0.00 ATOM 356 CB THR 45 26.856 26.321 34.257 1.00 0.00 ATOM 357 CG2 THR 45 25.591 27.018 33.749 1.00 0.00 ATOM 358 OG1 THR 45 26.716 24.929 34.483 1.00 0.00 ATOM 359 O THR 45 28.012 28.112 31.825 1.00 0.00 ATOM 360 C THR 45 27.645 26.952 32.052 1.00 0.00 ATOM 361 N TYR 46 26.976 26.209 31.174 1.00 0.00 ATOM 362 CA TYR 46 26.649 26.683 29.838 1.00 0.00 ATOM 363 CB TYR 46 27.098 25.643 28.813 1.00 0.00 ATOM 364 CG TYR 46 28.602 25.620 28.626 1.00 0.00 ATOM 365 CD1 TYR 46 29.127 26.059 27.418 1.00 0.00 ATOM 366 CD2 TYR 46 29.482 25.163 29.586 1.00 0.00 ATOM 367 CE1 TYR 46 30.484 26.047 27.218 1.00 0.00 ATOM 368 CE2 TYR 46 30.866 25.166 29.379 1.00 0.00 ATOM 369 CZ TYR 46 31.371 25.608 28.175 1.00 0.00 ATOM 370 OH TYR 46 32.725 25.627 27.904 1.00 0.00 ATOM 371 O TYR 46 24.474 25.703 30.097 1.00 0.00 ATOM 372 C TYR 46 25.142 26.625 29.627 1.00 0.00 ATOM 373 N ASP 47 24.610 27.615 28.920 1.00 0.00 ATOM 374 CA ASP 47 23.199 27.627 28.557 1.00 0.00 ATOM 375 CB ASP 47 22.395 28.470 29.550 1.00 0.00 ATOM 376 CG ASP 47 20.918 28.110 29.630 1.00 0.00 ATOM 377 OD1 ASP 47 20.574 27.011 29.267 1.00 0.00 ATOM 378 OD2 ASP 47 20.171 28.872 30.195 1.00 0.00 ATOM 379 O ASP 47 23.708 29.058 26.698 1.00 0.00 ATOM 380 C ASP 47 22.998 28.154 27.141 1.00 0.00 ATOM 381 N LEU 48 22.028 27.585 26.435 1.00 0.00 ATOM 382 CA LEU 48 21.703 28.024 25.084 1.00 0.00 ATOM 383 CB LEU 48 22.473 27.187 24.055 1.00 0.00 ATOM 384 CG LEU 48 24.000 27.225 24.190 1.00 0.00 ATOM 385 CD1 LEU 48 24.633 26.199 23.260 1.00 0.00 ATOM 386 CD2 LEU 48 24.503 28.625 23.874 1.00 0.00 ATOM 387 O LEU 48 19.567 26.933 25.067 1.00 0.00 ATOM 388 C LEU 48 20.210 27.946 24.787 1.00 0.00 ATOM 389 N LYS 49 19.660 29.015 24.220 1.00 0.00 ATOM 390 CA LYS 49 18.267 29.041 23.899 1.00 0.00 ATOM 391 CB LYS 49 17.837 30.427 23.398 1.00 0.00 ATOM 392 CG LYS 49 18.303 31.576 24.259 1.00 0.00 ATOM 393 CD LYS 49 17.938 32.902 23.623 1.00 0.00 ATOM 394 CE LYS 49 16.421 33.033 23.467 1.00 0.00 ATOM 395 NZ LYS 49 16.026 34.337 22.845 1.00 0.00 ATOM 396 O LYS 49 18.517 28.000 21.755 1.00 0.00 ATOM 397 C LYS 49 17.887 28.046 22.813 1.00 0.00 ATOM 398 N SER 50 16.856 27.248 23.073 1.00 0.00 ATOM 399 CA SER 50 16.403 26.258 22.103 1.00 0.00 ATOM 400 CB SER 50 16.442 24.873 22.719 1.00 0.00 ATOM 401 OG SER 50 16.227 23.867 21.769 1.00 0.00 ATOM 402 O SER 50 14.018 26.395 22.310 1.00 0.00 ATOM 403 C SER 50 15.002 26.573 21.593 1.00 0.00 ATOM 404 N LYS 51 14.921 27.042 20.352 1.00 0.00 ATOM 405 CA LYS 51 13.638 27.343 19.730 1.00 0.00 ATOM 406 CB LYS 51 13.845 27.993 18.361 1.00 0.00 ATOM 407 CG LYS 51 14.400 29.410 18.416 1.00 0.00 ATOM 408 CD LYS 51 14.578 29.989 17.021 1.00 0.00 ATOM 409 CE LYS 51 15.155 31.395 17.074 1.00 0.00 ATOM 410 NZ LYS 51 15.363 31.964 15.713 1.00 0.00 ATOM 411 O LYS 51 11.615 26.059 19.874 1.00 0.00 ATOM 412 C LYS 51 12.816 26.066 19.594 1.00 0.00 ATOM 413 N GLY 52 13.462 24.987 19.165 1.00 0.00 ATOM 414 CA GLY 52 12.776 23.712 19.001 1.00 0.00 ATOM 415 O GLY 52 11.031 22.576 20.189 1.00 0.00 ATOM 416 C GLY 52 12.090 23.202 20.261 1.00 0.00 ATOM 417 N GLN 53 12.690 23.470 21.416 1.00 0.00 ATOM 418 CA GLN 53 12.121 23.033 22.684 1.00 0.00 ATOM 419 CB GLN 53 13.063 21.819 23.178 1.00 0.00 ATOM 420 CG GLN 53 12.573 21.144 24.456 1.00 0.00 ATOM 421 CD GLN 53 11.211 20.486 24.285 1.00 0.00 ATOM 422 OE1 GLN 53 10.246 20.829 24.974 1.00 0.00 ATOM 423 NE2 GLN 53 11.128 19.541 23.360 1.00 0.00 ATOM 424 O GLN 53 10.984 24.022 24.547 1.00 0.00 ATOM 425 C GLN 53 11.507 24.198 23.446 1.00 0.00 ATOM 426 N GLY 54 11.569 25.389 22.860 1.00 0.00 ATOM 427 CA GLY 54 11.011 26.576 23.497 1.00 0.00 ATOM 428 O GLY 54 10.880 27.480 25.710 1.00 0.00 ATOM 429 C GLY 54 11.573 26.893 24.867 1.00 0.00 ATOM 430 N ARG 55 12.840 26.553 25.118 1.00 0.00 ATOM 431 CA ARG 55 13.412 26.768 26.438 1.00 0.00 ATOM 432 CB ARG 55 12.955 25.701 27.422 1.00 0.00 ATOM 433 CG ARG 55 13.189 24.270 26.968 1.00 0.00 ATOM 434 CD ARG 55 14.582 23.788 27.151 1.00 0.00 ATOM 435 NE ARG 55 15.030 23.752 28.535 1.00 0.00 ATOM 436 CZ ARG 55 14.765 22.754 29.399 1.00 0.00 ATOM 437 NH1 ARG 55 14.026 21.727 29.041 1.00 0.00 ATOM 438 NH2 ARG 55 15.249 22.844 30.626 1.00 0.00 ATOM 439 O ARG 55 15.512 26.405 25.335 1.00 0.00 ATOM 440 C ARG 55 14.934 26.781 26.357 1.00 0.00 ATOM 441 N MET 56 15.582 27.210 27.435 1.00 0.00 ATOM 442 CA MET 56 17.036 27.264 27.469 1.00 0.00 ATOM 443 CB MET 56 17.506 28.365 28.419 1.00 0.00 ATOM 444 CG MET 56 17.206 29.779 27.943 1.00 0.00 ATOM 445 SD MET 56 17.661 31.032 29.156 1.00 0.00 ATOM 446 CE MET 56 17.061 32.516 28.354 1.00 0.00 ATOM 447 O MET 56 17.177 25.337 28.890 1.00 0.00 ATOM 448 C MET 56 17.625 25.928 27.907 1.00 0.00 ATOM 449 N ILE 57 18.631 25.455 27.178 1.00 0.00 ATOM 450 CA ILE 57 19.271 24.190 27.507 1.00 0.00 ATOM 451 CB ILE 57 19.640 23.456 26.230 1.00 0.00 ATOM 452 CG1 ILE 57 18.365 23.183 25.420 1.00 0.00 ATOM 453 CG2 ILE 57 20.346 22.170 26.598 1.00 0.00 ATOM 454 CD1 ILE 57 17.311 22.369 26.153 1.00 0.00 ATOM 455 O ILE 57 21.430 25.226 27.618 1.00 0.00 ATOM 456 C ILE 57 20.618 24.474 28.158 1.00 0.00 ATOM 457 N GLN 58 20.855 23.870 29.317 1.00 0.00 ATOM 458 CA GLN 58 22.114 24.067 30.028 1.00 0.00 ATOM 459 CB GLN 58 21.877 24.420 31.484 1.00 0.00 ATOM 460 CG GLN 58 21.204 25.774 31.619 1.00 0.00 ATOM 461 CD GLN 58 21.255 26.327 33.025 1.00 0.00 ATOM 462 OE1 GLN 58 20.435 25.984 33.877 1.00 0.00 ATOM 463 NE2 GLN 58 22.235 27.181 33.280 1.00 0.00 ATOM 464 O GLN 58 22.411 21.687 30.091 1.00 0.00 ATOM 465 C GLN 58 22.948 22.795 30.132 1.00 0.00 ATOM 466 N VAL 59 24.261 22.954 30.265 1.00 0.00 ATOM 467 CA VAL 59 25.151 21.809 30.375 1.00 0.00 ATOM 468 CB VAL 59 25.938 21.601 29.027 1.00 0.00 ATOM 469 CG1 VAL 59 26.905 20.401 29.102 1.00 0.00 ATOM 470 CG2 VAL 59 24.994 21.441 27.855 1.00 0.00 ATOM 471 O VAL 59 26.421 23.204 31.856 1.00 0.00 ATOM 472 C VAL 59 26.057 22.062 31.573 1.00 0.00 ATOM 473 N SER 60 26.422 20.994 32.276 1.00 0.00 ATOM 474 CA SER 60 27.290 21.118 33.442 1.00 0.00 ATOM 475 CB SER 60 26.707 20.353 34.625 1.00 0.00 ATOM 476 OG SER 60 26.834 18.946 34.461 1.00 0.00 ATOM 477 O SER 60 28.747 19.575 32.327 1.00 0.00 ATOM 478 C SER 60 28.652 20.603 32.998 1.00 0.00 ATOM 479 N ILE 61 29.708 21.318 33.373 1.00 0.00 ATOM 480 CA ILE 61 31.061 20.920 33.004 1.00 0.00 ATOM 481 CB ILE 61 31.372 21.844 31.813 1.00 0.00 ATOM 482 CG1 ILE 61 30.403 21.403 30.698 1.00 0.00 ATOM 483 CG2 ILE 61 32.804 21.810 31.361 1.00 0.00 ATOM 484 CD1 ILE 61 30.560 21.997 29.337 1.00 0.00 ATOM 485 O ILE 61 31.866 21.662 35.138 1.00 0.00 ATOM 486 C ILE 61 31.969 20.845 34.223 1.00 0.00 ATOM 487 N PRO 62 32.860 19.859 34.232 1.00 0.00 ATOM 488 CA PRO 62 33.814 19.697 35.323 1.00 0.00 ATOM 489 CB PRO 62 34.421 18.334 35.069 1.00 0.00 ATOM 490 CG PRO 62 34.362 18.212 33.590 1.00 0.00 ATOM 491 CD PRO 62 32.975 18.722 33.276 1.00 0.00 ATOM 492 O PRO 62 35.196 21.389 34.332 1.00 0.00 ATOM 493 C PRO 62 34.817 20.845 35.369 1.00 0.00 ATOM 494 N ALA 63 35.248 21.210 36.573 1.00 0.00 ATOM 495 CA ALA 63 36.207 22.294 36.735 1.00 0.00 ATOM 496 CB ALA 63 36.804 21.898 38.283 1.00 0.00 ATOM 497 O ALA 63 37.943 22.931 35.207 1.00 0.00 ATOM 498 C ALA 63 37.468 22.043 35.914 1.00 0.00 ATOM 499 N SER 64 38.008 20.832 36.010 1.00 0.00 ATOM 500 CA SER 64 39.211 20.482 35.268 1.00 0.00 ATOM 501 CB SER 64 39.855 19.275 35.923 1.00 0.00 ATOM 502 OG SER 64 39.065 18.124 35.796 1.00 0.00 ATOM 503 O SER 64 39.825 19.704 33.086 1.00 0.00 ATOM 504 C SER 64 38.957 20.223 33.790 1.00 0.00 ATOM 505 N VAL 65 37.769 20.586 33.319 1.00 0.00 ATOM 506 CA VAL 65 37.418 20.387 31.918 1.00 0.00 ATOM 507 CB VAL 65 36.005 20.912 31.600 1.00 0.00 ATOM 508 CG1 VAL 65 35.956 22.427 31.737 1.00 0.00 ATOM 509 CG2 VAL 65 35.582 20.491 30.201 1.00 0.00 ATOM 510 O VAL 65 38.795 22.199 31.181 1.00 0.00 ATOM 511 C VAL 65 38.416 21.031 30.977 1.00 0.00 ATOM 512 N PRO 66 38.801 20.333 29.914 1.00 0.00 ATOM 513 CA PRO 66 39.707 20.922 28.930 1.00 0.00 ATOM 514 CB PRO 66 39.820 19.816 27.882 1.00 0.00 ATOM 515 CG PRO 66 39.327 18.576 28.432 1.00 0.00 ATOM 516 CD PRO 66 38.467 18.940 29.568 1.00 0.00 ATOM 517 O PRO 66 38.101 22.628 28.409 1.00 0.00 ATOM 518 C PRO 66 39.291 22.314 28.472 1.00 0.00 ATOM 519 N LEU 67 40.276 23.147 28.152 1.00 0.00 ATOM 520 CA LEU 67 40.013 24.509 27.706 1.00 0.00 ATOM 521 CB LEU 67 41.334 25.252 27.466 1.00 0.00 ATOM 522 CG LEU 67 42.133 25.587 28.733 1.00 0.00 ATOM 523 CD1 LEU 67 43.496 26.150 28.356 1.00 0.00 ATOM 524 CD2 LEU 67 41.353 26.581 29.578 1.00 0.00 ATOM 525 O LEU 67 38.224 25.297 26.315 1.00 0.00 ATOM 526 C LEU 67 39.166 24.515 26.440 1.00 0.00 ATOM 527 N LYS 68 39.507 23.636 25.502 1.00 0.00 ATOM 528 CA LYS 68 38.772 23.533 24.247 1.00 0.00 ATOM 529 CB LYS 68 39.469 22.557 23.297 1.00 0.00 ATOM 530 CG LYS 68 40.791 23.064 22.734 1.00 0.00 ATOM 531 CD LYS 68 41.421 22.043 21.799 1.00 0.00 ATOM 532 CE LYS 68 42.755 22.538 21.256 1.00 0.00 ATOM 533 NZ LYS 68 43.398 21.537 20.364 1.00 0.00 ATOM 534 O LYS 68 36.409 23.575 23.833 1.00 0.00 ATOM 535 C LYS 68 37.333 23.091 24.486 1.00 0.00 ATOM 536 N GLU 69 37.150 22.171 25.427 1.00 0.00 ATOM 537 CA GLU 69 35.820 21.696 25.787 1.00 0.00 ATOM 538 CB GLU 69 35.916 20.507 26.744 1.00 0.00 ATOM 539 CG GLU 69 36.412 19.220 26.102 1.00 0.00 ATOM 540 CD GLU 69 35.509 18.789 24.977 1.00 0.00 ATOM 541 OE1 GLU 69 34.328 18.683 25.197 1.00 0.00 ATOM 542 OE2 GLU 69 35.984 18.675 23.871 1.00 0.00 ATOM 543 O GLU 69 33.873 23.088 25.971 1.00 0.00 ATOM 544 C GLU 69 35.009 22.845 26.375 1.00 0.00 ATOM 545 N PHE 70 35.589 23.529 27.357 1.00 0.00 ATOM 546 CA PHE 70 34.927 24.658 27.998 1.00 0.00 ATOM 547 CB PHE 70 35.769 25.170 29.169 1.00 0.00 ATOM 548 CG PHE 70 35.127 26.295 29.931 1.00 0.00 ATOM 549 CD1 PHE 70 33.901 26.116 30.557 1.00 0.00 ATOM 550 CD2 PHE 70 35.745 27.533 30.021 1.00 0.00 ATOM 551 CE1 PHE 70 33.310 27.150 31.258 1.00 0.00 ATOM 552 CE2 PHE 70 35.157 28.567 30.722 1.00 0.00 ATOM 553 CZ PHE 70 33.937 28.375 31.341 1.00 0.00 ATOM 554 O PHE 70 34.070 26.817 27.417 1.00 0.00 ATOM 555 C PHE 70 34.634 25.794 27.027 1.00 0.00 ATOM 556 N ASP 71 35.147 25.765 25.860 1.00 0.00 ATOM 557 CA ASP 71 35.017 26.804 24.845 1.00 0.00 ATOM 558 CB ASP 71 35.674 26.358 23.536 1.00 0.00 ATOM 559 CG ASP 71 37.184 26.536 23.496 1.00 0.00 ATOM 560 OD1 ASP 71 37.735 26.997 24.469 1.00 0.00 ATOM 561 OD2 ASP 71 37.794 26.065 22.565 1.00 0.00 ATOM 562 O ASP 71 32.690 26.287 24.587 1.00 0.00 ATOM 563 C ASP 71 33.556 27.159 24.603 1.00 0.00 ATOM 564 N TYR 72 33.289 28.449 24.418 1.00 0.00 ATOM 565 CA TYR 72 31.952 28.911 24.070 1.00 0.00 ATOM 566 CB TYR 72 32.211 30.609 24.502 1.00 0.00 ATOM 567 CG TYR 72 33.243 30.876 25.600 1.00 0.00 ATOM 568 CD1 TYR 72 34.594 31.164 25.310 1.00 0.00 ATOM 569 CD2 TYR 72 32.884 30.730 26.935 1.00 0.00 ATOM 570 CE1 TYR 72 35.561 31.289 26.346 1.00 0.00 ATOM 571 CE2 TYR 72 33.833 30.833 27.972 1.00 0.00 ATOM 572 CZ TYR 72 35.154 31.103 27.680 1.00 0.00 ATOM 573 OH TYR 72 36.056 31.102 28.758 1.00 0.00 ATOM 574 O TYR 72 30.500 28.773 22.166 1.00 0.00 ATOM 575 C TYR 72 31.645 28.652 22.600 1.00 0.00 ATOM 576 N ASN 73 32.702 28.313 21.872 1.00 0.00 ATOM 577 CA ASN 73 32.551 28.088 20.439 1.00 0.00 ATOM 578 CB ASN 73 33.707 28.689 19.660 1.00 0.00 ATOM 579 CG ASN 73 35.050 28.133 20.043 1.00 0.00 ATOM 580 ND2 ASN 73 35.948 29.018 20.397 1.00 0.00 ATOM 581 OD1 ASN 73 35.250 26.913 20.090 1.00 0.00 ATOM 582 O ASN 73 32.255 26.216 18.969 1.00 0.00 ATOM 583 C ASN 73 32.420 26.604 20.126 1.00 0.00 ATOM 584 N ALA 74 32.493 25.776 21.162 1.00 0.00 ATOM 585 CA ALA 74 32.510 24.328 20.988 1.00 0.00 ATOM 586 CB ALA 74 33.334 23.672 22.085 1.00 0.00 ATOM 587 O ALA 74 30.173 24.357 21.522 1.00 0.00 ATOM 588 C ALA 74 31.112 23.725 21.038 1.00 0.00 ATOM 589 N ARG 75 30.976 22.501 20.538 1.00 0.00 ATOM 590 CA ARG 75 29.684 21.824 20.537 1.00 0.00 ATOM 591 CB ARG 75 29.640 20.801 19.411 1.00 0.00 ATOM 592 CG ARG 75 28.304 20.092 19.246 1.00 0.00 ATOM 593 CD ARG 75 28.261 19.122 18.122 1.00 0.00 ATOM 594 NE ARG 75 26.994 18.425 17.975 1.00 0.00 ATOM 595 CZ ARG 75 26.801 17.345 17.192 1.00 0.00 ATOM 596 NH1 ARG 75 27.775 16.859 16.458 1.00 0.00 ATOM 597 NH2 ARG 75 25.596 16.802 17.166 1.00 0.00 ATOM 598 O ARG 75 30.195 20.518 22.485 1.00 0.00 ATOM 599 C ARG 75 29.370 21.230 21.907 1.00 0.00 ATOM 600 N VAL 76 28.198 21.558 22.432 1.00 0.00 ATOM 601 CA VAL 76 27.781 21.060 23.738 1.00 0.00 ATOM 602 CB VAL 76 27.537 22.154 24.794 1.00 0.00 ATOM 603 CG1 VAL 76 28.840 22.859 25.142 1.00 0.00 ATOM 604 CG2 VAL 76 26.507 23.157 24.295 1.00 0.00 ATOM 605 O VAL 76 25.583 20.709 22.855 1.00 0.00 ATOM 606 C VAL 76 26.499 20.262 23.546 1.00 0.00 ATOM 607 N GLU 77 26.405 19.128 24.231 1.00 0.00 ATOM 608 CA GLU 77 25.170 18.353 24.265 1.00 0.00 ATOM 609 CB GLU 77 25.330 17.093 23.429 1.00 0.00 ATOM 610 CG GLU 77 24.102 16.205 23.393 1.00 0.00 ATOM 611 CD GLU 77 24.328 14.980 22.537 1.00 0.00 ATOM 612 OE1 GLU 77 24.530 13.897 23.136 1.00 0.00 ATOM 613 OE2 GLU 77 24.321 15.118 21.279 1.00 0.00 ATOM 614 O GLU 77 25.668 17.656 26.512 1.00 0.00 ATOM 615 C GLU 77 24.821 18.074 25.704 1.00 0.00 ATOM 616 N LEU 78 23.537 18.261 26.056 1.00 0.00 ATOM 617 CA LEU 78 23.059 18.047 27.414 1.00 0.00 ATOM 618 CB LEU 78 22.573 19.333 28.044 1.00 0.00 ATOM 619 CG LEU 78 21.995 19.155 29.447 1.00 0.00 ATOM 620 CD1 LEU 78 23.048 18.679 30.450 1.00 0.00 ATOM 621 CD2 LEU 78 21.321 20.448 29.930 1.00 0.00 ATOM 622 O LEU 78 20.987 17.363 26.419 1.00 0.00 ATOM 623 C LEU 78 21.744 17.278 27.386 1.00 0.00 ATOM 624 N ILE 79 21.472 16.528 28.450 1.00 0.00 ATOM 625 CA ILE 79 20.242 15.754 28.531 1.00 0.00 ATOM 626 CB ILE 79 20.481 14.233 28.531 1.00 0.00 ATOM 627 CG1 ILE 79 19.148 13.482 28.609 1.00 0.00 ATOM 628 CG2 ILE 79 21.387 13.837 29.687 1.00 0.00 ATOM 629 CD1 ILE 79 19.260 12.007 28.302 1.00 0.00 ATOM 630 O ILE 79 20.076 16.212 30.879 1.00 0.00 ATOM 631 C ILE 79 19.493 16.151 29.797 1.00 0.00 ATOM 632 N ASN 80 18.201 16.421 29.654 1.00 0.00 ATOM 633 CA ASN 80 17.377 16.847 30.780 1.00 0.00 ATOM 634 CB ASN 80 16.482 18.029 30.342 1.00 0.00 ATOM 635 CG ASN 80 17.267 19.186 29.762 1.00 0.00 ATOM 636 ND2 ASN 80 16.870 19.636 28.579 1.00 0.00 ATOM 637 OD1 ASN 80 18.217 19.673 30.373 1.00 0.00 ATOM 638 O ASN 80 16.493 14.640 30.744 1.00 0.00 ATOM 639 C ASN 80 16.549 15.704 31.344 1.00 0.00 ATOM 640 N PRO 81 15.945 15.959 32.539 1.00 0.00 ATOM 641 CA PRO 81 15.131 14.878 33.131 1.00 0.00 ATOM 642 CB PRO 81 14.680 15.499 34.457 1.00 0.00 ATOM 643 CG PRO 81 15.790 16.435 34.813 1.00 0.00 ATOM 644 CD PRO 81 16.125 17.077 33.486 1.00 0.00 ATOM 645 O PRO 81 13.561 13.256 32.320 1.00 0.00 ATOM 646 C PRO 81 13.986 14.410 32.241 1.00 0.00 ATOM 647 N ILE 82 13.488 15.304 31.394 1.00 0.00 ATOM 648 CA ILE 82 12.395 14.965 30.495 1.00 0.00 ATOM 649 CB ILE 82 11.103 15.738 31.045 1.00 0.00 ATOM 650 CG1 ILE 82 10.657 15.230 32.403 1.00 0.00 ATOM 651 CG2 ILE 82 9.981 15.622 30.046 1.00 0.00 ATOM 652 CD1 ILE 82 9.538 16.066 32.982 1.00 0.00 ATOM 653 O ILE 82 12.171 14.559 28.140 1.00 0.00 ATOM 654 C ILE 82 12.707 15.228 29.026 1.00 0.00 ATOM 655 N ALA 83 13.576 16.200 28.768 1.00 0.00 ATOM 656 CA ALA 83 13.950 16.535 27.402 1.00 0.00 ATOM 657 CB ALA 83 13.504 17.941 27.041 1.00 0.00 ATOM 658 O ALA 83 16.191 17.049 28.079 1.00 0.00 ATOM 659 C ALA 83 15.458 16.584 27.205 1.00 0.00 ATOM 660 N ASP 84 15.922 16.106 26.055 1.00 0.00 ATOM 661 CA ASP 84 17.349 16.105 25.757 1.00 0.00 ATOM 662 CB ASP 84 17.779 14.729 25.308 1.00 0.00 ATOM 663 CG ASP 84 19.249 14.701 24.938 1.00 0.00 ATOM 664 OD1 ASP 84 19.641 15.408 23.984 1.00 0.00 ATOM 665 OD2 ASP 84 20.013 13.969 25.603 1.00 0.00 ATOM 666 O ASP 84 16.707 16.945 23.604 1.00 0.00 ATOM 667 C ASP 84 17.556 16.935 24.496 1.00 0.00 ATOM 668 N THR 85 18.687 17.631 24.421 1.00 0.00 ATOM 669 CA THR 85 18.990 18.457 23.261 1.00 0.00 ATOM 670 CB THR 85 18.154 19.748 23.325 1.00 0.00 ATOM 671 CG2 THR 85 18.517 20.558 24.562 1.00 0.00 ATOM 672 OG1 THR 85 18.399 20.539 22.154 1.00 0.00 ATOM 673 O THR 85 21.252 18.511 24.060 1.00 0.00 ATOM 674 C THR 85 20.473 18.795 23.150 1.00 0.00 ATOM 675 N VAL 86 20.861 19.403 22.032 1.00 0.00 ATOM 676 CA VAL 86 22.233 19.766 21.829 1.00 0.00 ATOM 677 CB VAL 86 22.990 18.698 20.981 1.00 0.00 ATOM 678 CG1 VAL 86 22.257 18.446 19.658 1.00 0.00 ATOM 679 CG2 VAL 86 24.415 19.075 20.797 1.00 0.00 ATOM 680 O VAL 86 21.385 21.485 20.388 1.00 0.00 ATOM 681 C VAL 86 22.282 21.132 21.156 1.00 0.00 ATOM 682 N ALA 87 23.330 21.898 21.443 1.00 0.00 ATOM 683 CA ALA 87 23.481 23.222 20.853 1.00 0.00 ATOM 684 CB ALA 87 22.827 24.267 21.728 1.00 0.00 ATOM 685 O ALA 87 25.731 23.079 21.674 1.00 0.00 ATOM 686 C ALA 87 24.941 23.655 20.922 1.00 0.00 ATOM 687 N THR 88 25.300 24.667 20.140 1.00 0.00 ATOM 688 CA THR 88 26.669 25.163 20.129 1.00 0.00 ATOM 689 CB THR 88 27.629 24.295 19.285 1.00 0.00 ATOM 690 CG2 THR 88 27.205 24.230 17.801 1.00 0.00 ATOM 691 OG1 THR 88 28.952 24.868 19.359 1.00 0.00 ATOM 692 O THR 88 25.778 26.932 18.778 1.00 0.00 ATOM 693 C THR 88 26.687 26.558 19.520 1.00 0.00 ATOM 694 N ALA 89 27.723 27.329 19.833 1.00 0.00 ATOM 695 CA ALA 89 27.847 28.683 19.306 1.00 0.00 ATOM 696 CB ALA 89 27.518 29.692 20.397 1.00 0.00 ATOM 697 O ALA 89 30.114 28.098 18.789 1.00 0.00 ATOM 698 C ALA 89 29.230 28.954 18.728 1.00 0.00 ATOM 699 N THR 90 29.405 30.131 18.136 1.00 0.00 ATOM 700 CA THR 90 30.688 30.498 17.549 1.00 0.00 ATOM 701 CB THR 90 30.793 30.108 16.062 1.00 0.00 ATOM 702 CG2 THR 90 29.770 30.874 15.237 1.00 0.00 ATOM 703 OG1 THR 90 32.109 30.405 15.580 1.00 0.00 ATOM 704 O THR 90 29.999 32.792 17.612 1.00 0.00 ATOM 705 C THR 90 30.934 31.994 17.677 1.00 0.00 ATOM 706 N TYR 91 32.195 32.374 17.859 1.00 0.00 ATOM 707 CA TYR 91 32.548 33.782 17.991 1.00 0.00 ATOM 708 CB TYR 91 33.321 34.047 19.281 1.00 0.00 ATOM 709 CG TYR 91 32.516 33.885 20.545 1.00 0.00 ATOM 710 CD1 TYR 91 31.752 34.917 21.062 1.00 0.00 ATOM 711 CD2 TYR 91 32.545 32.695 21.250 1.00 0.00 ATOM 712 CE1 TYR 91 31.036 34.754 22.260 1.00 0.00 ATOM 713 CE2 TYR 91 31.851 32.528 22.454 1.00 0.00 ATOM 714 CZ TYR 91 31.098 33.558 22.937 1.00 0.00 ATOM 715 OH TYR 91 30.407 33.448 24.128 1.00 0.00 ATOM 716 O TYR 91 34.618 33.952 16.794 1.00 0.00 ATOM 717 C TYR 91 33.415 34.211 16.814 1.00 0.00 ATOM 718 N GLN 92 32.816 34.940 15.879 1.00 0.00 ATOM 719 CA GLN 92 33.542 35.445 14.721 1.00 0.00 ATOM 720 CB GLN 92 32.785 35.124 13.430 1.00 0.00 ATOM 721 CG GLN 92 32.656 33.639 13.137 1.00 0.00 ATOM 722 CD GLN 92 33.999 32.984 12.871 1.00 0.00 ATOM 723 OE1 GLN 92 34.821 33.507 12.115 1.00 0.00 ATOM 724 NE2 GLN 92 34.226 31.831 13.488 1.00 0.00 ATOM 725 O GLN 92 32.804 37.721 14.608 1.00 0.00 ATOM 726 C GLN 92 33.742 36.942 14.828 1.00 0.00 ATOM 727 N GLY 93 35.003 37.355 15.219 1.00 0.00 ATOM 728 CA GLY 93 35.232 38.735 15.593 1.00 0.00 ATOM 729 O GLY 93 34.540 38.522 17.881 1.00 0.00 ATOM 730 C GLY 93 34.400 39.119 16.812 1.00 0.00 ATOM 731 N ALA 94 33.534 40.115 16.651 1.00 0.00 ATOM 732 CA ALA 94 32.687 40.563 17.747 1.00 0.00 ATOM 733 CB ALA 94 32.693 42.085 17.773 1.00 0.00 ATOM 734 O ALA 94 30.404 40.366 18.452 1.00 0.00 ATOM 735 C ALA 94 31.272 40.012 17.651 1.00 0.00 ATOM 736 N ASP 95 31.038 39.144 16.672 1.00 0.00 ATOM 737 CA ASP 95 29.719 38.550 16.488 1.00 0.00 ATOM 738 CB ASP 95 29.336 38.571 15.006 1.00 0.00 ATOM 739 CG ASP 95 29.054 39.960 14.448 1.00 0.00 ATOM 740 OD1 ASP 95 28.907 40.873 15.228 1.00 0.00 ATOM 741 OD2 ASP 95 29.141 40.130 13.256 1.00 0.00 ATOM 742 O ASP 95 30.676 36.402 16.962 1.00 0.00 ATOM 743 C ASP 95 29.672 37.113 16.996 1.00 0.00 ATOM 744 N VAL 96 28.503 36.687 17.466 1.00 0.00 ATOM 745 CA VAL 96 28.344 35.332 17.973 1.00 0.00 ATOM 746 CB VAL 96 28.059 35.357 19.486 1.00 0.00 ATOM 747 CG1 VAL 96 27.821 33.938 19.987 1.00 0.00 ATOM 748 CG2 VAL 96 29.238 35.993 20.205 1.00 0.00 ATOM 749 O VAL 96 25.994 35.358 17.514 1.00 0.00 ATOM 750 C VAL 96 27.041 34.710 17.501 1.00 0.00 ATOM 751 N ASP 97 27.103 33.450 17.084 1.00 0.00 ATOM 752 CA ASP 97 25.914 32.750 16.611 1.00 0.00 ATOM 753 CB ASP 97 26.068 32.508 15.108 1.00 0.00 ATOM 754 CG ASP 97 24.891 31.787 14.463 1.00 0.00 ATOM 755 OD1 ASP 97 24.024 31.349 15.180 1.00 0.00 ATOM 756 OD2 ASP 97 24.790 31.818 13.259 1.00 0.00 ATOM 757 O ASP 97 26.715 30.661 17.435 1.00 0.00 ATOM 758 C ASP 97 25.772 31.459 17.396 1.00 0.00 ATOM 759 N TRP 98 24.645 31.270 18.064 1.00 0.00 ATOM 760 CA TRP 98 24.394 30.077 18.846 1.00 0.00 ATOM 761 CB TRP 98 24.597 30.342 20.339 1.00 0.00 ATOM 762 CG TRP 98 23.507 31.166 20.954 1.00 0.00 ATOM 763 CD1 TRP 98 22.325 30.711 21.455 1.00 0.00 ATOM 764 CD2 TRP 98 23.499 32.588 21.134 1.00 0.00 ATOM 765 CE2 TRP 98 22.281 32.924 21.749 1.00 0.00 ATOM 766 CE3 TRP 98 24.409 33.610 20.833 1.00 0.00 ATOM 767 NE1 TRP 98 21.579 31.760 21.934 1.00 0.00 ATOM 768 CZ2 TRP 98 21.944 34.230 22.068 1.00 0.00 ATOM 769 CZ3 TRP 98 24.071 34.920 21.155 1.00 0.00 ATOM 770 CH2 TRP 98 22.875 35.221 21.755 1.00 0.00 ATOM 771 O TRP 98 22.026 30.315 18.559 1.00 0.00 ATOM 772 C TRP 98 22.990 29.549 18.588 1.00 0.00 ATOM 773 N TYR 99 22.880 28.245 18.353 1.00 0.00 ATOM 774 CA TYR 99 21.584 27.630 18.093 1.00 0.00 ATOM 775 CB TYR 99 21.275 27.502 16.601 1.00 0.00 ATOM 776 CG TYR 99 19.950 26.837 16.303 1.00 0.00 ATOM 777 CD1 TYR 99 18.755 27.528 16.460 1.00 0.00 ATOM 778 CD2 TYR 99 19.895 25.523 15.863 1.00 0.00 ATOM 779 CE1 TYR 99 17.542 26.926 16.190 1.00 0.00 ATOM 780 CE2 TYR 99 18.686 24.912 15.589 1.00 0.00 ATOM 781 CZ TYR 99 17.511 25.616 15.755 1.00 0.00 ATOM 782 OH TYR 99 16.306 25.013 15.484 1.00 0.00 ATOM 783 O TYR 99 22.527 25.543 18.808 1.00 0.00 ATOM 784 C TYR 99 21.524 26.253 18.742 1.00 0.00 ATOM 785 N ILE 100 20.341 25.882 19.221 1.00 0.00 ATOM 786 CA ILE 100 20.146 24.583 19.854 1.00 0.00 ATOM 787 CB ILE 100 19.675 24.729 21.307 1.00 0.00 ATOM 788 CG1 ILE 100 20.858 25.199 22.160 1.00 0.00 ATOM 789 CG2 ILE 100 19.147 23.388 21.814 1.00 0.00 ATOM 790 CD1 ILE 100 20.541 25.353 23.639 1.00 0.00 ATOM 791 O ILE 100 17.947 24.421 18.906 1.00 0.00 ATOM 792 C ILE 100 18.993 23.836 19.191 1.00 0.00 ATOM 793 N LYS 101 19.184 22.543 18.947 1.00 0.00 ATOM 794 CA LYS 101 18.152 21.736 18.319 1.00 0.00 ATOM 795 CB LYS 101 18.535 21.173 16.949 1.00 0.00 ATOM 796 CG LYS 101 17.467 20.299 16.307 1.00 0.00 ATOM 797 CD LYS 101 17.948 19.719 14.985 1.00 0.00 ATOM 798 CE LYS 101 16.902 18.800 14.370 1.00 0.00 ATOM 799 NZ LYS 101 17.347 18.246 13.063 1.00 0.00 ATOM 800 O LYS 101 18.728 19.891 19.736 1.00 0.00 ATOM 801 C LYS 101 17.828 20.580 19.253 1.00 0.00 ATOM 802 N ALA 102 16.541 20.366 19.507 1.00 0.00 ATOM 803 CA ALA 102 16.114 19.283 20.386 1.00 0.00 ATOM 804 CB ALA 102 15.204 19.776 21.504 1.00 0.00 ATOM 805 O ALA 102 14.432 18.461 18.887 1.00 0.00 ATOM 806 C ALA 102 15.457 18.212 19.523 1.00 0.00 ATOM 807 N ASP 103 16.047 17.021 19.502 1.00 0.00 ATOM 808 CA ASP 103 15.504 15.926 18.714 1.00 0.00 ATOM 809 CB ASP 103 16.619 15.447 17.782 1.00 0.00 ATOM 810 CG ASP 103 17.832 14.866 18.498 1.00 0.00 ATOM 811 OD1 ASP 103 17.815 14.812 19.703 1.00 0.00 ATOM 812 OD2 ASP 103 18.691 14.338 17.832 1.00 0.00 ATOM 813 O ASP 103 14.480 13.813 18.937 1.00 0.00 ATOM 814 C ASP 103 14.961 14.802 19.492 1.00 0.00 ATOM 815 N ASP 104 15.087 14.897 20.812 1.00 0.00 ATOM 816 CA ASP 104 14.587 13.851 21.696 1.00 0.00 ATOM 817 CB ASP 104 15.590 12.696 21.753 1.00 0.00 ATOM 818 CG ASP 104 15.052 11.427 22.399 1.00 0.00 ATOM 819 OD1 ASP 104 13.885 11.390 22.707 1.00 0.00 ATOM 820 OD2 ASP 104 15.768 10.455 22.434 1.00 0.00 ATOM 821 O ASP 104 15.006 15.182 23.648 1.00 0.00 ATOM 822 C ASP 104 14.275 14.358 23.099 1.00 0.00 ATOM 823 N ILE 105 13.193 13.865 23.673 1.00 0.00 ATOM 824 CA ILE 105 12.934 14.013 25.095 1.00 0.00 ATOM 825 CB ILE 105 11.766 15.077 25.329 1.00 0.00 ATOM 826 CG1 ILE 105 10.420 14.430 25.065 1.00 0.00 ATOM 827 CG2 ILE 105 11.935 16.328 24.456 1.00 0.00 ATOM 828 CD1 ILE 105 9.252 15.223 25.659 1.00 0.00 ATOM 829 O ILE 105 12.518 11.695 25.516 1.00 0.00 ATOM 830 C ILE 105 13.150 12.704 25.830 1.00 0.00 ATOM 831 N VAL 106 14.044 12.718 26.814 1.00 0.00 ATOM 832 CA VAL 106 14.332 11.518 27.590 1.00 0.00 ATOM 833 CB VAL 106 15.841 11.222 27.533 1.00 0.00 ATOM 834 CG1 VAL 106 16.201 10.041 28.407 1.00 0.00 ATOM 835 CG2 VAL 106 16.269 10.909 26.123 1.00 0.00 ATOM 836 O VAL 106 14.170 12.749 29.682 1.00 0.00 ATOM 837 C VAL 106 13.888 11.720 29.047 1.00 0.00 ATOM 838 N LEU 107 13.212 10.694 29.554 1.00 0.00 ATOM 839 CA LEU 107 12.836 10.635 30.962 1.00 0.00 ATOM 840 CB LEU 107 11.319 10.406 31.092 1.00 0.00 ATOM 841 CG LEU 107 10.388 11.588 30.840 1.00 0.00 ATOM 842 CD1 LEU 107 10.404 12.037 29.390 1.00 0.00 ATOM 843 CD2 LEU 107 8.943 11.217 31.218 1.00 0.00 ATOM 844 O LEU 107 14.052 8.596 31.304 1.00 0.00 ATOM 845 C LEU 107 13.741 9.699 31.755 1.00 0.00 ATOM 846 N THR 108 14.164 10.139 32.936 1.00 0.00 ATOM 847 CA THR 108 15.039 9.325 33.785 1.00 0.00 ATOM 848 CB THR 108 16.343 10.106 34.095 1.00 0.00 ATOM 849 CG2 THR 108 17.269 9.327 34.992 1.00 0.00 ATOM 850 OG1 THR 108 17.023 10.301 32.844 1.00 0.00 ATOM 851 O THR 108 13.717 9.758 35.740 1.00 0.00 ATOM 852 C THR 108 14.271 8.914 35.035 1.00 0.00 ATOM 853 N LYS 109 14.245 7.625 35.296 1.00 0.00 ATOM 854 CA LYS 109 13.489 7.099 36.426 1.00 0.00 ATOM 855 CB LYS 109 13.553 5.570 36.449 1.00 0.00 ATOM 856 CG LYS 109 12.733 4.923 37.559 1.00 0.00 ATOM 857 CD LYS 109 12.790 3.406 37.476 1.00 0.00 ATOM 858 CE LYS 109 11.968 2.759 38.580 1.00 0.00 ATOM 859 NZ LYS 109 12.026 1.273 38.520 1.00 0.00 ATOM 860 O LYS 109 15.234 7.819 37.911 1.00 0.00 ATOM 861 C LYS 109 14.023 7.669 37.739 1.00 0.00 ATOM 862 N ASP 110 13.120 7.981 38.663 1.00 0.00 ATOM 863 CA ASP 110 13.518 8.529 39.954 1.00 0.00 ATOM 864 CB ASP 110 14.152 7.411 40.786 1.00 0.00 ATOM 865 CG ASP 110 13.219 6.247 41.090 1.00 0.00 ATOM 866 OD1 ASP 110 12.111 6.494 41.504 1.00 0.00 ATOM 867 OD2 ASP 110 13.560 5.137 40.761 1.00 0.00 ATOM 868 O ASP 110 15.314 9.936 40.667 1.00 0.00 ATOM 869 C ASP 110 14.456 9.707 39.814 1.00 0.00 ATOM 870 N SER 111 14.295 10.463 38.732 1.00 0.00 ATOM 871 CA SER 111 15.141 11.627 38.492 1.00 0.00 ATOM 872 CB SER 111 15.448 11.738 37.008 1.00 0.00 ATOM 873 OG SER 111 14.274 12.076 36.320 1.00 0.00 ATOM 874 O SER 111 13.345 12.798 39.561 1.00 0.00 ATOM 875 C SER 111 14.373 12.867 38.930 1.00 0.00 ATOM 876 N SER 112 14.897 14.021 38.591 1.00 0.00 ATOM 877 CA SER 112 14.288 15.231 39.029 1.00 0.00 ATOM 878 CB SER 112 15.799 16.125 39.322 1.00 0.00 ATOM 879 OG SER 112 15.863 16.818 38.090 1.00 0.00 ATOM 880 O SER 112 12.616 16.753 38.334 1.00 0.00 ATOM 881 C SER 112 13.226 15.724 38.086 1.00 0.00 ATOM 882 N SER 113 13.011 15.064 37.001 1.00 0.00 ATOM 883 CA SER 113 12.139 15.527 35.938 1.00 0.00 ATOM 884 CB SER 113 12.137 14.650 34.718 1.00 0.00 ATOM 885 OG SER 113 11.753 13.307 34.968 1.00 0.00 ATOM 886 O SER 113 10.034 16.549 36.296 1.00 0.00 ATOM 887 C SER 113 10.689 15.546 36.371 1.00 0.00 ATOM 888 N PHE 114 10.207 14.447 36.907 1.00 0.00 ATOM 889 CA PHE 114 8.794 14.334 37.245 1.00 0.00 ATOM 890 CB PHE 114 8.497 12.959 37.849 1.00 0.00 ATOM 891 CG PHE 114 8.446 11.851 36.837 1.00 0.00 ATOM 892 CD1 PHE 114 9.510 10.972 36.694 1.00 0.00 ATOM 893 CD2 PHE 114 7.335 11.685 36.023 1.00 0.00 ATOM 894 CE1 PHE 114 9.464 9.952 35.763 1.00 0.00 ATOM 895 CE2 PHE 114 7.286 10.666 35.092 1.00 0.00 ATOM 896 CZ PHE 114 8.353 9.798 34.963 1.00 0.00 ATOM 897 O PHE 114 7.191 15.797 38.268 1.00 0.00 ATOM 898 C PHE 114 8.359 15.409 38.232 1.00 0.00 ATOM 899 N LYS 115 9.306 15.889 39.031 1.00 0.00 ATOM 900 CA LYS 115 9.004 16.857 40.079 1.00 0.00 ATOM 901 CB LYS 115 10.163 16.959 41.072 1.00 0.00 ATOM 902 CG LYS 115 10.334 15.739 41.968 1.00 0.00 ATOM 903 CD LYS 115 11.506 15.913 42.923 1.00 0.00 ATOM 904 CE LYS 115 11.706 14.676 43.787 1.00 0.00 ATOM 905 NZ LYS 115 12.861 14.825 44.713 1.00 0.00 ATOM 906 O LYS 115 7.725 18.878 39.895 1.00 0.00 ATOM 907 C LYS 115 8.684 18.223 39.483 1.00 0.00 ATOM 908 N ALA 116 9.520 18.676 38.554 1.00 0.00 ATOM 909 CA ALA 116 9.310 19.970 37.917 1.00 0.00 ATOM 910 CB ALA 116 10.642 20.666 37.688 1.00 0.00 ATOM 911 O ALA 116 8.052 20.782 36.045 1.00 0.00 ATOM 912 C ALA 116 8.558 19.809 36.602 1.00 0.00 ATOM 913 N GLN 117 8.571 18.594 36.063 1.00 0.00 ATOM 914 CA GLN 117 7.919 18.314 34.790 1.00 0.00 ATOM 915 CB GLN 117 8.900 17.646 33.821 1.00 0.00 ATOM 916 CG GLN 117 10.120 18.489 33.491 1.00 0.00 ATOM 917 CD GLN 117 9.756 19.776 32.775 1.00 0.00 ATOM 918 OE1 GLN 117 9.067 19.761 31.752 1.00 0.00 ATOM 919 NE2 GLN 117 10.222 20.900 33.308 1.00 0.00 ATOM 920 O GLN 117 6.659 16.595 35.891 1.00 0.00 ATOM 921 C GLN 117 6.696 17.427 34.984 1.00 0.00 ATOM 922 N PRO 118 5.696 17.610 34.129 1.00 0.00 ATOM 923 CA PRO 118 4.399 16.972 34.317 1.00 0.00 ATOM 924 CB PRO 118 3.511 17.575 33.206 1.00 0.00 ATOM 925 CG PRO 118 4.238 18.861 32.807 1.00 0.00 ATOM 926 CD PRO 118 5.705 18.467 32.915 1.00 0.00 ATOM 927 O PRO 118 5.393 14.928 33.552 1.00 0.00 ATOM 928 C PRO 118 4.517 15.455 34.240 1.00 0.00 ATOM 929 N GLN 119 3.634 14.754 34.944 1.00 0.00 ATOM 930 CA GLN 119 3.653 13.296 34.942 1.00 0.00 ATOM 931 CB GLN 119 2.652 12.798 35.988 1.00 0.00 ATOM 932 CG GLN 119 3.035 13.130 37.421 1.00 0.00 ATOM 933 CD GLN 119 2.039 12.583 38.427 1.00 0.00 ATOM 934 OE1 GLN 119 1.038 11.964 38.057 1.00 0.00 ATOM 935 NE2 GLN 119 2.307 12.812 39.708 1.00 0.00 ATOM 936 O GLN 119 2.622 13.270 32.775 1.00 0.00 ATOM 937 C GLN 119 3.338 12.681 33.583 1.00 0.00 ATOM 938 N ALA 120 3.881 11.491 33.340 1.00 0.00 ATOM 939 CA ALA 120 3.750 10.847 32.039 1.00 0.00 ATOM 940 CB ALA 120 4.633 9.593 31.943 1.00 0.00 ATOM 941 O ALA 120 1.424 10.566 32.544 1.00 0.00 ATOM 942 C ALA 120 2.280 10.723 31.671 1.00 0.00 ATOM 943 N LYS 121 1.985 10.792 30.376 1.00 0.00 ATOM 944 CA LYS 121 0.608 10.683 29.908 1.00 0.00 ATOM 945 CB LYS 121 0.563 10.940 28.400 1.00 0.00 ATOM 946 CG LYS 121 0.895 12.366 28.009 1.00 0.00 ATOM 947 CD LYS 121 0.906 12.521 26.502 1.00 0.00 ATOM 948 CE LYS 121 1.210 13.949 26.094 1.00 0.00 ATOM 949 NZ LYS 121 1.246 14.087 24.618 1.00 0.00 ATOM 950 O LYS 121 -1.047 9.199 30.799 1.00 0.00 ATOM 951 C LYS 121 0.029 9.306 30.221 1.00 0.00 ATOM 952 N LYS 122 0.747 8.258 29.834 1.00 0.00 ATOM 953 CA LYS 122 0.292 6.884 30.045 1.00 0.00 ATOM 954 CB LYS 122 0.271 6.140 28.675 1.00 0.00 ATOM 955 CG LYS 122 -0.632 6.757 27.625 1.00 0.00 ATOM 956 CD LYS 122 -0.600 5.966 26.325 1.00 0.00 ATOM 957 CE LYS 122 -1.531 6.579 25.285 1.00 0.00 ATOM 958 NZ LYS 122 -1.540 5.794 24.012 1.00 0.00 ATOM 959 O LYS 122 0.663 5.024 31.507 1.00 0.00 ATOM 960 C LYS 122 1.129 6.048 31.010 1.00 0.00 ATOM 961 N GLU 123 2.363 6.468 31.266 1.00 0.00 ATOM 962 CA GLU 123 3.223 5.736 32.190 1.00 0.00 ATOM 963 CB GLU 123 3.888 4.514 31.396 1.00 0.00 ATOM 964 CG GLU 123 2.954 3.597 30.632 1.00 0.00 ATOM 965 CD GLU 123 2.145 2.651 31.481 1.00 0.00 ATOM 966 OE1 GLU 123 2.372 2.581 32.720 1.00 0.00 ATOM 967 OE2 GLU 123 1.267 1.930 30.881 1.00 0.00 ATOM 968 O GLU 123 5.195 6.924 32.908 1.00 0.00 ATOM 969 C GLU 123 4.003 6.682 33.103 1.00 0.00 ATOM 970 N PRO 124 3.276 7.168 34.200 1.00 0.00 ATOM 971 CA PRO 124 3.880 8.079 35.178 1.00 0.00 ATOM 972 CB PRO 124 2.650 8.542 35.986 1.00 0.00 ATOM 973 CG PRO 124 1.526 8.508 34.965 1.00 0.00 ATOM 974 CD PRO 124 1.816 7.266 34.172 1.00 0.00 ATOM 975 O PRO 124 6.014 8.153 36.260 1.00 0.00 ATOM 976 C PRO 124 5.055 7.461 35.928 1.00 0.00 ATOM 977 N THR 125 5.009 6.185 36.212 1.00 0.00 ATOM 978 CA THR 125 6.057 5.467 36.925 1.00 0.00 ATOM 979 CB THR 125 5.470 4.306 37.749 1.00 0.00 ATOM 980 CG2 THR 125 4.454 4.828 38.755 1.00 0.00 ATOM 981 OG1 THR 125 4.830 3.370 36.872 1.00 0.00 ATOM 982 O THR 125 8.153 4.414 36.419 1.00 0.00 ATOM 983 C THR 125 7.121 4.923 35.978 1.00 0.00 ATOM 984 N GLN 126 6.864 5.017 34.677 1.00 0.00 ATOM 985 CA GLN 126 7.810 4.532 33.682 1.00 0.00 ATOM 986 CB GLN 126 7.129 4.419 32.316 1.00 0.00 ATOM 987 CG GLN 126 6.001 3.404 32.263 1.00 0.00 ATOM 988 CD GLN 126 6.479 1.993 32.546 1.00 0.00 ATOM 989 OE1 GLN 126 7.402 1.494 31.896 1.00 0.00 ATOM 990 NE2 GLN 126 5.851 1.339 33.516 1.00 0.00 ATOM 991 O GLN 126 8.860 6.698 33.730 1.00 0.00 ATOM 992 C GLN 126 8.998 5.486 33.522 1.00 0.00 ATOM 993 N ASP 127 10.106 4.928 33.218 1.00 0.00 ATOM 994 CA ASP 127 11.341 5.687 32.973 1.00 0.00 ATOM 995 CB ASP 127 12.565 4.754 32.967 1.00 0.00 ATOM 996 CG ASP 127 13.806 5.438 32.462 1.00 0.00 ATOM 997 OD1 ASP 127 14.336 6.343 33.133 1.00 0.00 ATOM 998 OD2 ASP 127 14.225 5.097 31.350 1.00 0.00 ATOM 999 O ASP 127 11.610 7.719 31.736 1.00 0.00 ATOM 1000 C ASP 127 11.214 6.572 31.743 1.00 0.00 ATOM 1001 N LYS 128 10.725 6.013 30.640 1.00 0.00 ATOM 1002 CA LYS 128 10.594 6.765 29.386 1.00 0.00 ATOM 1003 CB LYS 128 10.161 5.817 28.259 1.00 0.00 ATOM 1004 CG LYS 128 11.307 5.139 27.509 1.00 0.00 ATOM 1005 CD LYS 128 12.503 4.842 28.415 1.00 0.00 ATOM 1006 CE LYS 128 13.783 5.504 27.904 1.00 0.00 ATOM 1007 NZ LYS 128 13.981 6.870 28.475 1.00 0.00 ATOM 1008 O LYS 128 8.663 7.878 30.291 1.00 0.00 ATOM 1009 C LYS 128 9.613 7.933 29.505 1.00 0.00 TER END