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 3 Mon Jul 21 13:26:50 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 26.732 39.061 21.467 1.00 0.00 ATOM 2 CA MET 1 25.888 38.007 22.072 1.00 0.00 ATOM 3 CB MET 1 26.737 36.793 22.456 1.00 0.00 ATOM 4 CG MET 1 27.346 36.064 21.270 1.00 0.00 ATOM 5 SD MET 1 26.101 35.382 20.159 1.00 0.00 ATOM 6 CE MET 1 25.419 34.073 21.174 1.00 0.00 ATOM 7 O MET 1 24.597 39.545 23.387 1.00 0.00 ATOM 8 C MET 1 25.219 38.482 23.359 1.00 0.00 ATOM 9 N MET 2 25.349 37.694 24.422 1.00 0.00 ATOM 10 CA MET 2 24.771 38.050 25.646 1.00 0.00 ATOM 11 CB MET 2 24.573 36.803 26.505 1.00 0.00 ATOM 12 CG MET 2 23.522 35.852 25.961 1.00 0.00 ATOM 13 SD MET 2 23.088 34.474 27.241 1.00 0.00 ATOM 14 CE MET 2 21.912 35.500 28.375 1.00 0.00 ATOM 15 O MET 2 26.835 39.061 26.194 1.00 0.00 ATOM 16 C MET 2 25.624 38.982 26.406 1.00 0.00 ATOM 17 N ARG 3 25.003 39.718 27.323 1.00 0.00 ATOM 18 CA ARG 3 25.734 40.677 28.143 1.00 0.00 ATOM 19 CB ARG 3 24.783 41.159 29.240 1.00 0.00 ATOM 20 CG ARG 3 23.595 41.956 28.725 1.00 0.00 ATOM 21 CD ARG 3 22.650 42.330 29.855 1.00 0.00 ATOM 22 NE ARG 3 21.490 43.077 29.374 1.00 0.00 ATOM 23 CZ ARG 3 20.459 43.429 30.135 1.00 0.00 ATOM 24 NH1 ARG 3 19.449 44.109 29.610 1.00 0.00 ATOM 25 NH2 ARG 3 20.441 43.101 31.420 1.00 0.00 ATOM 26 O ARG 3 27.952 40.829 28.941 1.00 0.00 ATOM 27 C ARG 3 26.968 40.113 28.757 1.00 0.00 ATOM 28 N LEU 4 26.944 38.807 29.094 1.00 0.00 ATOM 29 CA LEU 4 28.105 38.207 29.684 1.00 0.00 ATOM 30 CB LEU 4 27.873 36.714 29.922 1.00 0.00 ATOM 31 CG LEU 4 26.820 36.350 30.971 1.00 0.00 ATOM 32 CD1 LEU 4 26.597 34.847 31.012 1.00 0.00 ATOM 33 CD2 LEU 4 27.262 36.802 32.355 1.00 0.00 ATOM 34 O LEU 4 29.075 38.187 27.520 1.00 0.00 ATOM 35 C LEU 4 29.221 38.414 28.720 1.00 0.00 ATOM 36 N ALA 5 30.415 38.975 29.291 1.00 0.00 ATOM 37 CA ALA 5 31.580 39.275 28.465 1.00 0.00 ATOM 38 CB ALA 5 32.118 38.004 27.827 1.00 0.00 ATOM 39 O ALA 5 31.688 40.200 26.253 1.00 0.00 ATOM 40 C ALA 5 31.180 40.264 27.374 1.00 0.00 ATOM 41 N ASN 6 30.271 41.176 27.702 1.00 0.00 ATOM 42 CA ASN 6 29.815 42.175 26.738 1.00 0.00 ATOM 43 CB ASN 6 30.952 43.124 26.350 1.00 0.00 ATOM 44 CG ASN 6 31.393 44.005 27.502 1.00 0.00 ATOM 45 ND2 ASN 6 32.648 44.440 27.467 1.00 0.00 ATOM 46 OD1 ASN 6 30.614 44.290 28.413 1.00 0.00 ATOM 47 O ASN 6 29.380 42.238 24.379 1.00 0.00 ATOM 48 C ASN 6 29.293 41.596 25.427 1.00 0.00 ATOM 49 N GLY 7 28.749 40.385 25.487 1.00 0.00 ATOM 50 CA GLY 7 28.220 39.746 24.306 1.00 0.00 ATOM 51 O GLY 7 28.708 37.825 22.953 1.00 0.00 ATOM 52 C GLY 7 29.124 38.633 23.785 1.00 0.00 ATOM 53 N ILE 8 30.357 38.591 24.277 1.00 0.00 ATOM 54 CA ILE 8 31.292 37.577 23.855 1.00 0.00 ATOM 55 CB ILE 8 32.689 37.784 24.467 1.00 0.00 ATOM 56 CG1 ILE 8 33.263 39.136 24.042 1.00 0.00 ATOM 57 CG2 ILE 8 33.640 36.691 24.008 1.00 0.00 ATOM 58 CD1 ILE 8 34.523 39.526 24.783 1.00 0.00 ATOM 59 O ILE 8 30.394 36.005 25.386 1.00 0.00 ATOM 60 C ILE 8 30.771 36.237 24.238 1.00 0.00 ATOM 61 N VAL 9 30.707 35.321 23.255 1.00 0.00 ATOM 62 CA VAL 9 30.178 34.026 23.531 1.00 0.00 ATOM 63 CB VAL 9 28.705 33.871 23.043 1.00 0.00 ATOM 64 CG1 VAL 9 28.650 33.978 21.534 1.00 0.00 ATOM 65 CG2 VAL 9 28.126 32.547 23.520 1.00 0.00 ATOM 66 O VAL 9 31.379 33.087 21.701 1.00 0.00 ATOM 67 C VAL 9 31.087 33.016 22.884 1.00 0.00 ATOM 68 N LEU 10 31.582 32.132 23.734 1.00 0.00 ATOM 69 CA LEU 10 32.231 30.948 23.261 1.00 0.00 ATOM 70 CB LEU 10 33.498 30.639 24.062 1.00 0.00 ATOM 71 CG LEU 10 34.497 31.785 24.219 1.00 0.00 ATOM 72 CD1 LEU 10 35.668 31.361 25.091 1.00 0.00 ATOM 73 CD2 LEU 10 35.042 32.213 22.865 1.00 0.00 ATOM 74 O LEU 10 30.735 29.507 24.425 1.00 0.00 ATOM 75 C LEU 10 31.140 29.893 23.336 1.00 0.00 ATOM 76 N ASP 11 30.706 29.484 22.218 1.00 0.00 ATOM 77 CA ASP 11 29.636 28.508 22.156 1.00 0.00 ATOM 78 CB ASP 11 28.502 28.879 21.209 1.00 0.00 ATOM 79 CG ASP 11 27.820 30.156 21.619 1.00 0.00 ATOM 80 OD1 ASP 11 27.335 30.228 22.766 1.00 0.00 ATOM 81 OD2 ASP 11 27.729 31.142 20.858 1.00 0.00 ATOM 82 O ASP 11 30.814 27.232 20.543 1.00 0.00 ATOM 83 C ASP 11 30.161 27.240 21.585 1.00 0.00 ATOM 84 N LYS 12 29.924 26.127 22.302 1.00 0.00 ATOM 85 CA LYS 12 30.295 24.872 21.734 1.00 0.00 ATOM 86 CB LYS 12 30.512 23.830 22.833 1.00 0.00 ATOM 87 CG LYS 12 30.969 22.475 22.322 1.00 0.00 ATOM 88 CD LYS 12 32.440 22.496 21.939 1.00 0.00 ATOM 89 CE LYS 12 32.905 21.132 21.457 1.00 0.00 ATOM 90 NZ LYS 12 34.311 21.167 20.965 1.00 0.00 ATOM 91 O LYS 12 28.001 24.826 21.183 1.00 0.00 ATOM 92 C LYS 12 29.149 24.518 20.864 1.00 0.00 ATOM 93 N ASP 13 29.431 23.847 19.739 1.00 0.00 ATOM 94 CA ASP 13 28.397 23.560 18.799 1.00 0.00 ATOM 95 CB ASP 13 28.998 23.153 17.452 1.00 0.00 ATOM 96 CG ASP 13 29.734 21.829 17.518 1.00 0.00 ATOM 97 OD1 ASP 13 29.639 21.147 18.561 1.00 0.00 ATOM 98 OD2 ASP 13 30.406 21.474 16.527 1.00 0.00 ATOM 99 O ASP 13 27.332 22.314 20.493 1.00 0.00 ATOM 100 C ASP 13 27.458 22.545 19.290 1.00 0.00 ATOM 101 N THR 14 26.764 21.904 18.355 1.00 0.00 ATOM 102 CA THR 14 25.798 20.870 18.708 1.00 0.00 ATOM 103 CB THR 14 25.428 20.048 17.460 1.00 0.00 ATOM 104 CG2 THR 14 24.318 19.059 17.781 1.00 0.00 ATOM 105 OG1 THR 14 24.980 20.927 16.422 1.00 0.00 ATOM 106 O THR 14 27.059 18.988 19.443 1.00 0.00 ATOM 107 C THR 14 26.321 19.931 19.730 1.00 0.00 ATOM 108 N THR 15 25.964 20.225 20.994 1.00 0.00 ATOM 109 CA THR 15 26.289 19.283 22.005 1.00 0.00 ATOM 110 CB THR 15 25.982 19.618 23.395 1.00 0.00 ATOM 111 CG2 THR 15 26.317 18.487 24.357 1.00 0.00 ATOM 112 OG1 THR 15 26.800 20.741 23.687 1.00 0.00 ATOM 113 O THR 15 25.988 16.981 21.501 1.00 0.00 ATOM 114 C THR 15 25.513 18.114 21.527 1.00 0.00 ATOM 115 N PHE 16 24.278 18.413 21.084 1.00 0.00 ATOM 116 CA PHE 16 23.443 17.444 20.456 1.00 0.00 ATOM 117 CB PHE 16 22.942 16.424 21.480 1.00 0.00 ATOM 118 CG PHE 16 22.155 17.032 22.607 1.00 0.00 ATOM 119 CD1 PHE 16 20.786 17.204 22.501 1.00 0.00 ATOM 120 CD2 PHE 16 22.786 17.434 23.772 1.00 0.00 ATOM 121 CE1 PHE 16 20.064 17.765 23.538 1.00 0.00 ATOM 122 CE2 PHE 16 22.063 17.994 24.807 1.00 0.00 ATOM 123 CZ PHE 16 20.708 18.159 24.695 1.00 0.00 ATOM 124 O PHE 16 22.046 19.337 20.182 1.00 0.00 ATOM 125 C PHE 16 22.293 18.177 19.856 1.00 0.00 ATOM 126 N GLY 17 21.549 17.502 18.958 1.00 0.00 ATOM 127 CA GLY 17 20.436 18.142 18.329 1.00 0.00 ATOM 128 O GLY 17 19.184 17.658 20.300 1.00 0.00 ATOM 129 C GLY 17 19.362 18.439 19.344 1.00 0.00 ATOM 130 N GLU 18 18.434 19.564 19.312 1.00 0.00 ATOM 131 CA GLU 18 17.331 19.836 20.272 1.00 0.00 ATOM 132 CB GLU 18 16.605 21.088 19.875 1.00 0.00 ATOM 133 CG GLU 18 15.426 21.384 20.746 1.00 0.00 ATOM 134 CD GLU 18 14.122 20.950 20.132 1.00 0.00 ATOM 135 OE1 GLU 18 14.132 20.518 18.953 1.00 0.00 ATOM 136 OE2 GLU 18 13.081 21.070 20.822 1.00 0.00 ATOM 137 O GLU 18 16.012 18.278 21.477 1.00 0.00 ATOM 138 C GLU 18 16.481 18.615 20.391 1.00 0.00 ATOM 139 N LEU 19 16.257 17.928 19.262 1.00 0.00 ATOM 140 CA LEU 19 15.388 16.790 19.194 1.00 0.00 ATOM 141 CB LEU 19 15.239 16.315 17.748 1.00 0.00 ATOM 142 CG LEU 19 14.467 17.242 16.806 1.00 0.00 ATOM 143 CD1 LEU 19 14.549 16.741 15.372 1.00 0.00 ATOM 144 CD2 LEU 19 13.002 17.313 17.203 1.00 0.00 ATOM 145 O LEU 19 15.139 14.917 20.633 1.00 0.00 ATOM 146 C LEU 19 15.915 15.635 20.003 1.00 0.00 ATOM 147 N LYS 20 17.247 15.423 20.020 1.00 0.00 ATOM 148 CA LYS 20 17.781 14.216 20.591 1.00 0.00 ATOM 149 CB LYS 20 19.307 14.199 20.478 1.00 0.00 ATOM 150 CG LYS 20 19.821 14.028 19.058 1.00 0.00 ATOM 151 CD LYS 20 21.341 14.022 19.019 1.00 0.00 ATOM 152 CE LYS 20 21.855 13.875 17.596 1.00 0.00 ATOM 153 NZ LYS 20 23.344 13.904 17.538 1.00 0.00 ATOM 154 O LYS 20 17.027 12.921 22.411 1.00 0.00 ATOM 155 C LYS 20 17.473 14.008 22.047 1.00 0.00 ATOM 156 N PHE 21 17.711 14.989 22.940 1.00 0.00 ATOM 157 CA PHE 21 17.523 14.604 24.315 1.00 0.00 ATOM 158 CB PHE 21 18.893 14.470 25.001 1.00 0.00 ATOM 159 CG PHE 21 19.838 13.503 24.334 1.00 0.00 ATOM 160 CD1 PHE 21 20.610 13.894 23.240 1.00 0.00 ATOM 161 CD2 PHE 21 19.948 12.207 24.780 1.00 0.00 ATOM 162 CE1 PHE 21 21.457 12.969 22.596 1.00 0.00 ATOM 163 CE2 PHE 21 20.811 11.305 24.154 1.00 0.00 ATOM 164 CZ PHE 21 21.553 11.691 23.064 1.00 0.00 ATOM 165 O PHE 21 16.718 16.804 24.722 1.00 0.00 ATOM 166 C PHE 21 16.734 15.624 25.067 1.00 0.00 ATOM 167 N SER 22 15.958 15.169 26.045 1.00 0.00 ATOM 168 CA SER 22 15.150 15.961 26.927 1.00 0.00 ATOM 169 CB SER 22 14.323 15.157 27.855 1.00 0.00 ATOM 170 OG SER 22 13.454 14.315 27.122 1.00 0.00 ATOM 171 O SER 22 15.868 17.968 27.977 1.00 0.00 ATOM 172 C SER 22 16.036 16.759 27.835 1.00 0.00 ATOM 173 N ALA 23 16.979 16.075 28.520 1.00 0.00 ATOM 174 CA ALA 23 17.826 16.747 29.462 1.00 0.00 ATOM 175 CB ALA 23 17.527 16.273 30.870 1.00 0.00 ATOM 176 O ALA 23 19.464 15.189 28.659 1.00 0.00 ATOM 177 C ALA 23 19.253 16.270 29.210 1.00 0.00 ATOM 178 N LEU 24 20.227 17.112 29.539 1.00 0.00 ATOM 179 CA LEU 24 21.573 16.761 29.343 1.00 0.00 ATOM 180 CB LEU 24 22.117 17.457 28.094 1.00 0.00 ATOM 181 CG LEU 24 22.305 18.973 28.189 1.00 0.00 ATOM 182 CD1 LEU 24 23.226 19.470 27.086 1.00 0.00 ATOM 183 CD2 LEU 24 20.970 19.689 28.052 1.00 0.00 ATOM 184 O LEU 24 22.164 18.375 31.055 1.00 0.00 ATOM 185 C LEU 24 22.384 17.254 30.552 1.00 0.00 ATOM 186 N ARG 25 23.298 16.415 30.886 1.00 0.00 ATOM 187 CA ARG 25 24.258 16.799 31.995 1.00 0.00 ATOM 188 CB ARG 25 24.326 15.656 33.008 1.00 0.00 ATOM 189 CG ARG 25 23.022 15.405 33.749 1.00 0.00 ATOM 190 CD ARG 25 23.164 14.269 34.750 1.00 0.00 ATOM 191 NE ARG 25 21.920 14.019 35.473 1.00 0.00 ATOM 192 CZ ARG 25 21.755 13.042 36.361 1.00 0.00 ATOM 193 NH1 ARG 25 20.587 12.890 36.969 1.00 0.00 ATOM 194 NH2 ARG 25 22.760 12.222 36.638 1.00 0.00 ATOM 195 O ARG 25 26.079 16.184 30.558 1.00 0.00 ATOM 196 C ARG 25 25.628 17.007 31.356 1.00 0.00 ATOM 197 N ARG 26 26.286 18.107 31.708 1.00 0.00 ATOM 198 CA ARG 26 27.549 18.377 31.174 1.00 0.00 ATOM 199 CB ARG 26 27.378 19.073 29.775 1.00 0.00 ATOM 200 CG ARG 26 26.756 20.445 29.919 1.00 0.00 ATOM 201 CD ARG 26 26.867 21.252 28.628 1.00 0.00 ATOM 202 NE ARG 26 26.137 22.520 28.699 1.00 0.00 ATOM 203 CZ ARG 26 26.513 23.583 29.410 1.00 0.00 ATOM 204 NH1 ARG 26 27.626 23.560 30.130 1.00 0.00 ATOM 205 NH2 ARG 26 25.769 24.683 29.390 1.00 0.00 ATOM 206 O ARG 26 28.008 19.747 33.038 1.00 0.00 ATOM 207 C ARG 26 28.447 19.040 32.130 1.00 0.00 ATOM 208 N GLU 27 29.747 18.882 31.904 1.00 0.00 ATOM 209 CA GLU 27 30.745 19.491 32.777 1.00 0.00 ATOM 210 CB GLU 27 31.769 18.452 33.238 1.00 0.00 ATOM 211 CG GLU 27 31.186 17.351 34.110 1.00 0.00 ATOM 212 CD GLU 27 32.241 16.383 34.610 1.00 0.00 ATOM 213 OE1 GLU 27 33.419 16.540 34.226 1.00 0.00 ATOM 214 OE2 GLU 27 31.889 15.469 35.384 1.00 0.00 ATOM 215 O GLU 27 31.703 20.380 30.802 1.00 0.00 ATOM 216 C GLU 27 31.400 20.566 31.980 1.00 0.00 ATOM 217 N VAL 28 31.617 21.742 32.598 1.00 0.00 ATOM 218 CA VAL 28 32.197 22.797 31.834 1.00 0.00 ATOM 219 CB VAL 28 31.231 24.038 31.659 1.00 0.00 ATOM 220 CG1 VAL 28 31.918 25.250 30.972 1.00 0.00 ATOM 221 CG2 VAL 28 29.929 23.626 30.981 1.00 0.00 ATOM 222 O VAL 28 33.605 23.286 33.713 1.00 0.00 ATOM 223 C VAL 28 33.517 23.184 32.489 1.00 0.00 ATOM 224 N ARG 29 34.544 23.401 31.672 1.00 0.00 ATOM 225 CA ARG 29 35.802 23.765 32.185 1.00 0.00 ATOM 226 CB ARG 29 36.793 22.648 31.848 1.00 0.00 ATOM 227 CG ARG 29 36.514 21.335 32.561 1.00 0.00 ATOM 228 CD ARG 29 37.560 20.287 32.217 1.00 0.00 ATOM 229 NE ARG 29 37.342 19.039 32.943 1.00 0.00 ATOM 230 CZ ARG 29 38.078 17.943 32.781 1.00 0.00 ATOM 231 NH1 ARG 29 37.807 16.853 33.483 1.00 0.00 ATOM 232 NH2 ARG 29 39.083 17.942 31.916 1.00 0.00 ATOM 233 O ARG 29 36.339 25.126 30.322 1.00 0.00 ATOM 234 C ARG 29 36.258 25.040 31.542 1.00 0.00 ATOM 235 N ILE 30 36.575 26.071 32.354 1.00 0.00 ATOM 236 CA ILE 30 37.126 27.289 31.846 1.00 0.00 ATOM 237 CB ILE 30 36.229 28.496 32.176 1.00 0.00 ATOM 238 CG1 ILE 30 34.849 28.325 31.541 1.00 0.00 ATOM 239 CG2 ILE 30 36.848 29.782 31.645 1.00 0.00 ATOM 240 CD1 ILE 30 33.834 29.350 31.999 1.00 0.00 ATOM 241 O ILE 30 38.593 27.431 33.739 1.00 0.00 ATOM 242 C ILE 30 38.491 27.432 32.512 1.00 0.00 ATOM 243 N GLN 31 39.537 27.557 31.701 1.00 0.00 ATOM 244 CA GLN 31 40.850 27.699 32.225 1.00 0.00 ATOM 245 CB GLN 31 41.678 26.445 31.939 1.00 0.00 ATOM 246 CG GLN 31 43.108 26.515 32.449 1.00 0.00 ATOM 247 CD GLN 31 43.870 25.223 32.227 1.00 0.00 ATOM 248 OE1 GLN 31 43.325 24.252 31.702 1.00 0.00 ATOM 249 NE2 GLN 31 45.136 25.209 32.627 1.00 0.00 ATOM 250 O GLN 31 41.366 29.111 30.403 1.00 0.00 ATOM 251 C GLN 31 41.544 28.835 31.590 1.00 0.00 ATOM 252 N ASN 32 42.360 29.528 32.377 1.00 0.00 ATOM 253 CA ASN 32 43.107 30.673 31.870 1.00 0.00 ATOM 254 CB ASN 32 43.315 31.723 32.963 1.00 0.00 ATOM 255 CG ASN 32 42.012 32.342 33.432 1.00 0.00 ATOM 256 ND2 ASN 32 41.127 32.642 32.488 1.00 0.00 ATOM 257 OD1 ASN 32 41.807 32.546 34.628 1.00 0.00 ATOM 258 O ASN 32 44.870 29.056 31.695 1.00 0.00 ATOM 259 C ASN 32 44.457 30.169 31.371 1.00 0.00 ATOM 260 N GLU 33 45.143 30.992 30.583 1.00 0.00 ATOM 261 CA GLU 33 46.410 30.615 30.071 1.00 0.00 ATOM 262 CB GLU 33 46.987 31.704 29.164 1.00 0.00 ATOM 263 CG GLU 33 46.270 31.845 27.830 1.00 0.00 ATOM 264 CD GLU 33 46.788 33.011 27.011 1.00 0.00 ATOM 265 OE1 GLU 33 47.656 33.753 27.517 1.00 0.00 ATOM 266 OE2 GLU 33 46.326 33.182 25.864 1.00 0.00 ATOM 267 O GLU 33 48.056 29.441 31.308 1.00 0.00 ATOM 268 C GLU 33 47.275 30.393 31.256 1.00 0.00 ATOM 269 N ASP 34 47.151 31.276 32.242 1.00 0.00 ATOM 270 CA ASP 34 47.944 31.164 33.461 1.00 0.00 ATOM 271 CB ASP 34 48.110 32.766 33.839 1.00 0.00 ATOM 272 CG ASP 34 48.823 32.964 35.168 1.00 0.00 ATOM 273 OD1 ASP 34 49.903 32.434 35.363 1.00 0.00 ATOM 274 OD2 ASP 34 48.313 33.556 36.121 1.00 0.00 ATOM 275 O ASP 34 48.374 29.667 35.287 1.00 0.00 ATOM 276 C ASP 34 47.612 29.990 34.378 1.00 0.00 ATOM 277 N GLY 35 46.526 29.372 34.065 1.00 0.00 ATOM 278 CA GLY 35 46.106 28.235 34.864 1.00 0.00 ATOM 279 O GLY 35 45.439 27.886 37.119 1.00 0.00 ATOM 280 C GLY 35 45.756 28.687 36.241 1.00 0.00 ATOM 281 N SER 36 45.783 30.020 36.437 1.00 0.00 ATOM 282 CA SER 36 45.468 30.596 37.706 1.00 0.00 ATOM 283 CB SER 36 45.699 32.105 37.715 1.00 0.00 ATOM 284 OG SER 36 44.979 32.754 36.685 1.00 0.00 ATOM 285 O SER 36 43.727 30.119 39.285 1.00 0.00 ATOM 286 C SER 36 44.022 30.346 38.109 1.00 0.00 ATOM 287 N VAL 37 43.181 30.415 37.123 1.00 0.00 ATOM 288 CA VAL 37 41.781 30.028 37.308 1.00 0.00 ATOM 289 CB VAL 37 40.758 31.156 36.980 1.00 0.00 ATOM 290 CG1 VAL 37 39.338 30.702 37.275 1.00 0.00 ATOM 291 CG2 VAL 37 41.078 32.421 37.762 1.00 0.00 ATOM 292 O VAL 37 41.623 28.894 35.232 1.00 0.00 ATOM 293 C VAL 37 41.525 28.793 36.427 1.00 0.00 ATOM 294 N SER 38 41.119 27.748 36.985 1.00 0.00 ATOM 295 CA SER 38 41.004 26.533 36.172 1.00 0.00 ATOM 296 CB SER 38 42.387 25.943 35.891 1.00 0.00 ATOM 297 OG SER 38 42.308 24.878 34.960 1.00 0.00 ATOM 298 O SER 38 39.244 25.847 37.626 1.00 0.00 ATOM 299 C SER 38 40.172 25.517 36.889 1.00 0.00 ATOM 300 N ASP 39 40.536 24.243 36.643 1.00 0.00 ATOM 301 CA ASP 39 39.828 23.133 37.257 1.00 0.00 ATOM 302 CB ASP 39 40.334 21.815 36.973 1.00 0.00 ATOM 303 CG ASP 39 40.080 21.440 35.511 1.00 0.00 ATOM 304 OD1 ASP 39 39.201 22.054 34.871 1.00 0.00 ATOM 305 OD2 ASP 39 40.776 20.549 34.997 1.00 0.00 ATOM 306 O ASP 39 38.782 23.263 39.412 1.00 0.00 ATOM 307 C ASP 39 39.834 23.304 38.772 1.00 0.00 ATOM 308 N GLU 40 41.006 23.585 39.333 1.00 0.00 ATOM 309 CA GLU 40 41.122 23.768 40.757 1.00 0.00 ATOM 310 CB GLU 40 42.579 24.000 41.163 1.00 0.00 ATOM 311 CG GLU 40 43.465 22.792 40.927 1.00 0.00 ATOM 312 CD GLU 40 44.938 23.110 40.890 1.00 0.00 ATOM 313 OE1 GLU 40 45.358 24.256 40.899 1.00 0.00 ATOM 314 OE2 GLU 40 45.711 22.123 40.945 1.00 0.00 ATOM 315 O GLU 40 39.715 24.893 42.321 1.00 0.00 ATOM 316 C GLU 40 40.323 24.945 41.246 1.00 0.00 ATOM 317 N ILE 41 40.347 26.049 40.517 1.00 0.00 ATOM 318 CA ILE 41 39.600 27.226 40.932 1.00 0.00 ATOM 319 CB ILE 41 39.963 28.456 40.078 1.00 0.00 ATOM 320 CG1 ILE 41 41.439 28.817 40.266 1.00 0.00 ATOM 321 CG2 ILE 41 39.117 29.653 40.483 1.00 0.00 ATOM 322 CD1 ILE 41 41.806 29.163 41.692 1.00 0.00 ATOM 323 O ILE 41 37.311 27.433 41.611 1.00 0.00 ATOM 324 C ILE 41 38.114 26.969 40.795 1.00 0.00 ATOM 325 N LYS 42 37.781 26.154 39.639 1.00 0.00 ATOM 326 CA LYS 42 36.376 25.841 39.444 1.00 0.00 ATOM 327 CB LYS 42 35.676 26.982 38.643 1.00 0.00 ATOM 328 CG LYS 42 35.522 28.304 39.368 1.00 0.00 ATOM 329 CD LYS 42 34.531 29.208 38.647 1.00 0.00 ATOM 330 CE LYS 42 34.160 30.416 39.498 1.00 0.00 ATOM 331 NZ LYS 42 33.093 31.245 38.868 1.00 0.00 ATOM 332 O LYS 42 36.652 24.087 37.866 1.00 0.00 ATOM 333 C LYS 42 35.914 24.603 38.701 1.00 0.00 ATOM 334 N GLU 43 34.774 24.053 39.119 1.00 0.00 ATOM 335 CA GLU 43 34.207 22.909 38.427 1.00 0.00 ATOM 336 CB GLU 43 34.397 21.649 39.257 1.00 0.00 ATOM 337 CG GLU 43 35.218 20.568 38.565 1.00 0.00 ATOM 338 CD GLU 43 34.707 19.178 38.888 1.00 0.00 ATOM 339 OE1 GLU 43 34.378 18.418 37.946 1.00 0.00 ATOM 340 OE2 GLU 43 34.621 18.848 40.090 1.00 0.00 ATOM 341 O GLU 43 32.150 23.826 39.202 1.00 0.00 ATOM 342 C GLU 43 32.732 23.122 38.364 1.00 0.00 ATOM 343 N ARG 44 32.176 22.618 37.300 1.00 0.00 ATOM 344 CA ARG 44 30.759 22.701 37.243 1.00 0.00 ATOM 345 CB ARG 44 30.434 24.041 36.579 1.00 0.00 ATOM 346 CG ARG 44 31.115 24.250 35.236 1.00 0.00 ATOM 347 CD ARG 44 30.773 25.610 34.649 1.00 0.00 ATOM 348 NE ARG 44 31.385 26.701 35.406 1.00 0.00 ATOM 349 CZ ARG 44 30.988 27.968 35.344 1.00 0.00 ATOM 350 NH1 ARG 44 31.605 28.892 36.067 1.00 0.00 ATOM 351 NH2 ARG 44 29.976 28.307 34.558 1.00 0.00 ATOM 352 O ARG 44 30.552 21.344 35.280 1.00 0.00 ATOM 353 C ARG 44 30.098 21.607 36.395 1.00 0.00 ATOM 354 N THR 45 29.021 21.056 36.974 1.00 0.00 ATOM 355 CA THR 45 28.125 20.271 36.185 1.00 0.00 ATOM 356 CB THR 45 28.120 18.882 36.850 1.00 0.00 ATOM 357 CG2 THR 45 27.309 17.898 36.023 1.00 0.00 ATOM 358 OG1 THR 45 29.464 18.398 36.961 1.00 0.00 ATOM 359 O THR 45 26.202 21.234 37.261 1.00 0.00 ATOM 360 C THR 45 26.712 20.859 36.195 1.00 0.00 ATOM 361 N TYR 46 26.163 20.897 35.044 1.00 0.00 ATOM 362 CA TYR 46 24.805 21.427 34.950 1.00 0.00 ATOM 363 CB TYR 46 24.613 22.626 33.999 1.00 0.00 ATOM 364 CG TYR 46 25.457 23.822 34.384 1.00 0.00 ATOM 365 CD1 TYR 46 24.922 24.830 35.193 1.00 0.00 ATOM 366 CD2 TYR 46 26.791 23.945 33.955 1.00 0.00 ATOM 367 CE1 TYR 46 25.673 25.944 35.592 1.00 0.00 ATOM 368 CE2 TYR 46 27.579 25.091 34.363 1.00 0.00 ATOM 369 CZ TYR 46 26.985 26.069 35.184 1.00 0.00 ATOM 370 OH TYR 46 27.697 27.161 35.607 1.00 0.00 ATOM 371 O TYR 46 24.273 19.804 33.265 1.00 0.00 ATOM 372 C TYR 46 23.850 20.549 34.149 1.00 0.00 ATOM 373 N ASP 47 22.560 20.640 34.459 1.00 0.00 ATOM 374 CA ASP 47 21.608 19.874 33.775 1.00 0.00 ATOM 375 CB ASP 47 20.736 19.114 34.775 1.00 0.00 ATOM 376 CG ASP 47 19.705 18.234 34.098 1.00 0.00 ATOM 377 OD1 ASP 47 19.602 18.289 32.854 1.00 0.00 ATOM 378 OD2 ASP 47 18.997 17.490 34.810 1.00 0.00 ATOM 379 O ASP 47 20.320 21.853 33.609 1.00 0.00 ATOM 380 C ASP 47 20.786 20.865 33.042 1.00 0.00 ATOM 381 N LEU 48 20.590 20.616 31.751 1.00 0.00 ATOM 382 CA LEU 48 19.796 21.513 30.921 1.00 0.00 ATOM 383 CB LEU 48 20.614 22.059 29.748 1.00 0.00 ATOM 384 CG LEU 48 21.886 22.829 30.109 1.00 0.00 ATOM 385 CD1 LEU 48 22.659 23.206 28.854 1.00 0.00 ATOM 386 CD2 LEU 48 21.547 24.106 30.861 1.00 0.00 ATOM 387 O LEU 48 18.717 19.558 30.139 1.00 0.00 ATOM 388 C LEU 48 18.629 20.755 30.419 1.00 0.00 ATOM 389 N LYS 49 17.499 21.443 30.294 1.00 0.00 ATOM 390 CA LYS 49 16.278 20.810 29.807 1.00 0.00 ATOM 391 CB LYS 49 15.151 20.964 30.830 1.00 0.00 ATOM 392 CG LYS 49 15.389 20.221 32.134 1.00 0.00 ATOM 393 CD LYS 49 14.195 20.346 33.066 1.00 0.00 ATOM 394 CE LYS 49 14.448 19.635 34.386 1.00 0.00 ATOM 395 NZ LYS 49 13.276 19.725 35.300 1.00 0.00 ATOM 396 O LYS 49 15.798 22.734 28.454 1.00 0.00 ATOM 397 C LYS 49 15.889 21.506 28.503 1.00 0.00 ATOM 398 N SER 50 15.642 20.708 27.500 1.00 0.00 ATOM 399 CA SER 50 15.259 21.312 26.226 1.00 0.00 ATOM 400 CB SER 50 15.504 20.326 25.082 1.00 0.00 ATOM 401 OG SER 50 16.877 19.993 24.979 1.00 0.00 ATOM 402 O SER 50 12.804 21.079 26.509 1.00 0.00 ATOM 403 C SER 50 13.780 21.777 26.277 1.00 0.00 ATOM 404 N LYS 51 13.892 23.066 26.173 1.00 0.00 ATOM 405 CA LYS 51 12.561 23.654 26.183 1.00 0.00 ATOM 406 CB LYS 51 12.652 25.178 26.088 1.00 0.00 ATOM 407 CG LYS 51 11.310 25.887 26.177 1.00 0.00 ATOM 408 CD LYS 51 10.709 25.756 27.567 1.00 0.00 ATOM 409 CE LYS 51 9.427 26.563 27.692 1.00 0.00 ATOM 410 NZ LYS 51 8.852 26.483 29.063 1.00 0.00 ATOM 411 O LYS 51 10.476 22.951 25.301 1.00 0.00 ATOM 412 C LYS 51 11.721 23.094 25.081 1.00 0.00 ATOM 413 N GLY 52 12.387 22.732 23.964 1.00 0.00 ATOM 414 CA GLY 52 11.572 22.202 22.830 1.00 0.00 ATOM 415 O GLY 52 10.888 24.122 21.620 1.00 0.00 ATOM 416 C GLY 52 10.572 23.211 22.381 1.00 0.00 ATOM 417 N GLN 53 9.309 23.042 22.810 1.00 0.00 ATOM 418 CA GLN 53 8.327 24.014 22.453 1.00 0.00 ATOM 419 CB GLN 53 6.945 23.585 22.947 1.00 0.00 ATOM 420 CG GLN 53 5.818 24.512 22.521 1.00 0.00 ATOM 421 CD GLN 53 4.452 23.991 22.921 1.00 0.00 ATOM 422 OE1 GLN 53 4.338 22.952 23.571 1.00 0.00 ATOM 423 NE2 GLN 53 3.407 24.714 22.534 1.00 0.00 ATOM 424 O GLN 53 9.018 25.296 24.327 1.00 0.00 ATOM 425 C GLN 53 8.778 25.269 23.121 1.00 0.00 ATOM 426 N GLY 54 8.909 26.353 22.338 1.00 0.00 ATOM 427 CA GLY 54 9.410 27.580 22.879 1.00 0.00 ATOM 428 O GLY 54 11.368 28.847 22.462 1.00 0.00 ATOM 429 C GLY 54 10.800 27.760 22.362 1.00 0.00 ATOM 430 N ARG 55 11.385 26.689 21.790 1.00 0.00 ATOM 431 CA ARG 55 12.696 26.777 21.207 1.00 0.00 ATOM 432 CB ARG 55 12.344 27.129 19.604 1.00 0.00 ATOM 433 CG ARG 55 13.278 26.635 18.516 1.00 0.00 ATOM 434 CD ARG 55 13.077 27.421 17.184 1.00 0.00 ATOM 435 NE ARG 55 13.260 28.883 17.330 1.00 0.00 ATOM 436 CZ ARG 55 13.000 29.738 16.338 1.00 0.00 ATOM 437 NH1 ARG 55 12.568 29.259 15.178 1.00 0.00 ATOM 438 NH2 ARG 55 13.166 31.057 16.492 1.00 0.00 ATOM 439 O ARG 55 14.345 28.347 21.843 1.00 0.00 ATOM 440 C ARG 55 13.662 27.377 22.169 1.00 0.00 ATOM 441 N MET 56 13.741 26.841 23.399 1.00 0.00 ATOM 442 CA MET 56 14.701 27.419 24.290 1.00 0.00 ATOM 443 CB MET 56 14.020 28.403 25.244 1.00 0.00 ATOM 444 CG MET 56 13.389 29.601 24.555 1.00 0.00 ATOM 445 SD MET 56 12.640 30.757 25.718 1.00 0.00 ATOM 446 CE MET 56 14.097 31.441 26.502 1.00 0.00 ATOM 447 O MET 56 14.935 25.118 24.927 1.00 0.00 ATOM 448 C MET 56 15.322 26.277 25.087 1.00 0.00 ATOM 449 N ILE 57 16.316 26.598 25.909 1.00 0.00 ATOM 450 CA ILE 57 16.941 25.617 26.679 1.00 0.00 ATOM 451 CB ILE 57 18.421 25.371 26.327 1.00 0.00 ATOM 452 CG1 ILE 57 18.556 24.947 24.863 1.00 0.00 ATOM 453 CG2 ILE 57 18.999 24.271 27.203 1.00 0.00 ATOM 454 CD1 ILE 57 17.862 23.643 24.538 1.00 0.00 ATOM 455 O ILE 57 17.316 27.338 28.308 1.00 0.00 ATOM 456 C ILE 57 16.894 26.203 28.087 1.00 0.00 ATOM 457 N GLN 58 16.380 25.426 29.036 1.00 0.00 ATOM 458 CA GLN 58 16.289 25.882 30.414 1.00 0.00 ATOM 459 CB GLN 58 15.159 26.010 31.049 1.00 0.00 ATOM 460 CG GLN 58 14.569 27.349 30.630 1.00 0.00 ATOM 461 CD GLN 58 13.284 27.681 31.364 1.00 0.00 ATOM 462 OE1 GLN 58 12.403 26.834 31.507 1.00 0.00 ATOM 463 NE2 GLN 58 13.164 28.923 31.816 1.00 0.00 ATOM 464 O GLN 58 17.547 24.047 31.306 1.00 0.00 ATOM 465 C GLN 58 17.343 25.262 31.320 1.00 0.00 ATOM 466 N VAL 59 18.013 26.097 32.108 1.00 0.00 ATOM 467 CA VAL 59 19.044 25.612 33.019 1.00 0.00 ATOM 468 CB VAL 59 20.181 26.648 33.088 1.00 0.00 ATOM 469 CG1 VAL 59 21.234 26.217 34.096 1.00 0.00 ATOM 470 CG2 VAL 59 20.849 26.796 31.729 1.00 0.00 ATOM 471 O VAL 59 17.661 26.259 34.870 1.00 0.00 ATOM 472 C VAL 59 18.449 25.430 34.411 1.00 0.00 ATOM 473 N SER 60 18.827 24.347 35.082 1.00 0.00 ATOM 474 CA SER 60 18.321 24.071 36.430 1.00 0.00 ATOM 475 CB SER 60 17.764 22.610 36.359 1.00 0.00 ATOM 476 OG SER 60 17.288 22.206 37.631 1.00 0.00 ATOM 477 O SER 60 19.048 24.700 38.596 1.00 0.00 ATOM 478 C SER 60 19.378 24.367 37.489 1.00 0.00 ATOM 479 N ILE 61 19.975 23.026 37.739 1.00 0.00 ATOM 480 CA ILE 61 21.053 23.040 38.706 1.00 0.00 ATOM 481 CB ILE 61 21.775 21.660 38.759 1.00 0.00 ATOM 482 CG1 ILE 61 20.780 20.542 39.122 1.00 0.00 ATOM 483 CG2 ILE 61 22.979 21.723 39.687 1.00 0.00 ATOM 484 CD1 ILE 61 21.268 19.132 38.811 1.00 0.00 ATOM 485 O ILE 61 22.594 23.998 37.127 1.00 0.00 ATOM 486 C ILE 61 22.143 23.997 38.276 1.00 0.00 ATOM 487 N PRO 62 22.508 24.863 39.230 1.00 0.00 ATOM 488 CA PRO 62 23.707 25.687 38.993 1.00 0.00 ATOM 489 CB PRO 62 23.660 26.737 40.105 1.00 0.00 ATOM 490 CG PRO 62 22.933 26.066 41.223 1.00 0.00 ATOM 491 CD PRO 62 21.892 25.194 40.579 1.00 0.00 ATOM 492 O PRO 62 24.952 23.871 40.010 1.00 0.00 ATOM 493 C PRO 62 24.977 24.808 39.211 1.00 0.00 ATOM 494 N ALA 63 26.058 25.124 38.505 1.00 0.00 ATOM 495 CA ALA 63 27.297 24.366 38.638 1.00 0.00 ATOM 496 CB ALA 63 28.417 24.998 37.827 1.00 0.00 ATOM 497 O ALA 63 28.160 23.258 40.611 1.00 0.00 ATOM 498 C ALA 63 27.702 24.293 40.118 1.00 0.00 ATOM 499 N SER 64 27.520 25.395 40.828 1.00 0.00 ATOM 500 CA SER 64 27.792 25.439 42.262 1.00 0.00 ATOM 501 CB SER 64 26.896 24.449 43.009 1.00 0.00 ATOM 502 OG SER 64 25.528 24.759 42.822 1.00 0.00 ATOM 503 O SER 64 29.482 24.494 43.699 1.00 0.00 ATOM 504 C SER 64 29.238 25.090 42.660 1.00 0.00 ATOM 505 N VAL 65 30.192 25.511 41.842 1.00 0.00 ATOM 506 CA VAL 65 31.620 25.257 42.130 1.00 0.00 ATOM 507 CB VAL 65 32.572 25.868 41.108 1.00 0.00 ATOM 508 CG1 VAL 65 32.437 27.344 41.082 1.00 0.00 ATOM 509 CG2 VAL 65 34.008 25.447 41.468 1.00 0.00 ATOM 510 O VAL 65 31.573 27.051 43.788 1.00 0.00 ATOM 511 C VAL 65 31.992 25.922 43.489 1.00 0.00 ATOM 512 N PRO 66 32.690 25.189 44.364 1.00 0.00 ATOM 513 CA PRO 66 32.869 25.771 45.673 1.00 0.00 ATOM 514 CB PRO 66 32.924 24.534 46.573 1.00 0.00 ATOM 515 CG PRO 66 33.523 23.469 45.745 1.00 0.00 ATOM 516 CD PRO 66 33.329 23.863 44.277 1.00 0.00 ATOM 517 O PRO 66 34.559 26.850 46.946 1.00 0.00 ATOM 518 C PRO 66 34.138 26.626 45.835 1.00 0.00 ATOM 519 N LEU 67 34.673 27.200 44.771 1.00 0.00 ATOM 520 CA LEU 67 35.957 27.898 44.770 1.00 0.00 ATOM 521 CB LEU 67 36.975 27.148 43.909 1.00 0.00 ATOM 522 CG LEU 67 37.346 25.736 44.372 1.00 0.00 ATOM 523 CD1 LEU 67 38.215 25.042 43.335 1.00 0.00 ATOM 524 CD2 LEU 67 38.116 25.788 45.682 1.00 0.00 ATOM 525 O LEU 67 34.865 29.411 43.313 1.00 0.00 ATOM 526 C LEU 67 35.682 29.259 44.204 1.00 0.00 ATOM 527 N LYS 68 36.325 30.275 44.741 1.00 0.00 ATOM 528 CA LYS 68 36.031 31.563 44.254 1.00 0.00 ATOM 529 CB LYS 68 35.470 32.464 45.345 1.00 0.00 ATOM 530 CG LYS 68 34.129 32.036 45.973 1.00 0.00 ATOM 531 CD LYS 68 33.968 32.615 47.436 1.00 0.00 ATOM 532 CE LYS 68 32.815 32.054 48.305 1.00 0.00 ATOM 533 NZ LYS 68 32.486 32.875 49.564 1.00 0.00 ATOM 534 O LYS 68 38.371 31.894 43.988 1.00 0.00 ATOM 535 C LYS 68 37.245 32.223 43.644 1.00 0.00 ATOM 536 N GLU 69 35.497 31.908 42.793 1.00 0.00 ATOM 537 CA GLU 69 34.749 32.534 41.750 1.00 0.00 ATOM 538 CB GLU 69 33.352 32.929 42.265 1.00 0.00 ATOM 539 CG GLU 69 32.580 31.770 42.871 1.00 0.00 ATOM 540 CD GLU 69 31.257 32.213 43.455 1.00 0.00 ATOM 541 OE1 GLU 69 31.248 32.748 44.591 1.00 0.00 ATOM 542 OE2 GLU 69 30.218 32.041 42.776 1.00 0.00 ATOM 543 O GLU 69 36.269 34.368 41.847 1.00 0.00 ATOM 544 C GLU 69 35.529 33.662 41.165 1.00 0.00 ATOM 545 N PHE 70 35.419 33.774 39.831 1.00 0.00 ATOM 546 CA PHE 70 35.945 34.834 39.027 1.00 0.00 ATOM 547 CB PHE 70 37.272 34.463 38.376 1.00 0.00 ATOM 548 CG PHE 70 38.397 34.432 39.376 1.00 0.00 ATOM 549 CD1 PHE 70 39.087 35.589 39.697 1.00 0.00 ATOM 550 CD2 PHE 70 38.710 33.260 40.057 1.00 0.00 ATOM 551 CE1 PHE 70 40.119 35.569 40.654 1.00 0.00 ATOM 552 CE2 PHE 70 39.737 33.233 41.013 1.00 0.00 ATOM 553 CZ PHE 70 40.439 34.376 41.310 1.00 0.00 ATOM 554 O PHE 70 33.783 34.510 38.139 1.00 0.00 ATOM 555 C PHE 70 34.829 35.156 38.092 1.00 0.00 ATOM 556 N ASP 71 34.983 36.175 37.230 1.00 0.00 ATOM 557 CA ASP 71 33.846 36.481 36.416 1.00 0.00 ATOM 558 CB ASP 71 33.883 37.946 35.975 1.00 0.00 ATOM 559 CG ASP 71 32.601 38.381 35.294 1.00 0.00 ATOM 560 OD1 ASP 71 31.639 37.583 35.270 1.00 0.00 ATOM 561 OD2 ASP 71 32.556 39.521 34.783 1.00 0.00 ATOM 562 O ASP 71 34.125 36.078 34.100 1.00 0.00 ATOM 563 C ASP 71 33.853 35.606 35.201 1.00 0.00 ATOM 564 N TYR 72 33.554 34.300 35.366 1.00 0.00 ATOM 565 CA TYR 72 33.433 33.461 34.209 1.00 0.00 ATOM 566 CB TYR 72 34.482 32.348 34.243 1.00 0.00 ATOM 567 CG TYR 72 35.907 32.846 34.171 1.00 0.00 ATOM 568 CD1 TYR 72 36.613 33.155 35.326 1.00 0.00 ATOM 569 CD2 TYR 72 36.543 33.006 32.946 1.00 0.00 ATOM 570 CE1 TYR 72 37.916 33.612 35.269 1.00 0.00 ATOM 571 CE2 TYR 72 37.846 33.462 32.870 1.00 0.00 ATOM 572 CZ TYR 72 38.532 33.764 34.045 1.00 0.00 ATOM 573 OH TYR 72 39.829 34.219 33.987 1.00 0.00 ATOM 574 O TYR 72 31.708 32.233 35.271 1.00 0.00 ATOM 575 C TYR 72 32.042 32.919 34.307 1.00 0.00 ATOM 576 N ASN 73 31.124 33.261 33.277 1.00 0.00 ATOM 577 CA ASN 73 29.792 32.796 33.525 1.00 0.00 ATOM 578 CB ASN 73 28.850 33.973 33.781 1.00 0.00 ATOM 579 CG ASN 73 29.227 34.761 35.019 1.00 0.00 ATOM 580 ND2 ASN 73 29.761 35.961 34.816 1.00 0.00 ATOM 581 OD1 ASN 73 29.040 34.297 36.144 1.00 0.00 ATOM 582 O ASN 73 29.709 32.236 31.215 1.00 0.00 ATOM 583 C ASN 73 29.283 32.029 32.352 1.00 0.00 ATOM 584 N ALA 74 28.362 31.082 32.621 1.00 0.00 ATOM 585 CA ALA 74 27.827 30.287 31.559 1.00 0.00 ATOM 586 CB ALA 74 28.142 28.817 31.786 1.00 0.00 ATOM 587 O ALA 74 25.660 30.578 32.513 1.00 0.00 ATOM 588 C ALA 74 26.330 30.498 31.484 1.00 0.00 ATOM 589 N ARG 75 25.840 30.640 30.302 1.00 0.00 ATOM 590 CA ARG 75 24.387 30.711 30.086 1.00 0.00 ATOM 591 CB ARG 75 23.675 31.669 29.770 1.00 0.00 ATOM 592 CG ARG 75 22.895 31.972 31.043 1.00 0.00 ATOM 593 CD ARG 75 22.043 33.217 30.880 1.00 0.00 ATOM 594 NE ARG 75 21.124 33.410 31.999 1.00 0.00 ATOM 595 CZ ARG 75 21.490 33.752 33.229 1.00 0.00 ATOM 596 NH1 ARG 75 20.569 33.899 34.174 1.00 0.00 ATOM 597 NH2 ARG 75 22.767 33.956 33.521 1.00 0.00 ATOM 598 O ARG 75 24.984 29.187 28.333 1.00 0.00 ATOM 599 C ARG 75 24.078 29.684 29.003 1.00 0.00 ATOM 600 N VAL 76 22.807 29.311 28.883 1.00 0.00 ATOM 601 CA VAL 76 22.427 28.372 27.912 1.00 0.00 ATOM 602 CB VAL 76 22.124 26.980 28.496 1.00 0.00 ATOM 603 CG1 VAL 76 21.675 26.027 27.398 1.00 0.00 ATOM 604 CG2 VAL 76 23.363 26.399 29.160 1.00 0.00 ATOM 605 O VAL 76 20.436 29.654 27.755 1.00 0.00 ATOM 606 C VAL 76 21.236 28.905 27.193 1.00 0.00 ATOM 607 N GLU 77 21.099 28.524 25.927 1.00 0.00 ATOM 608 CA GLU 77 19.972 28.977 25.119 1.00 0.00 ATOM 609 CB GLU 77 20.236 30.401 24.624 1.00 0.00 ATOM 610 CG GLU 77 21.462 30.531 23.733 1.00 0.00 ATOM 611 CD GLU 77 21.727 31.964 23.314 1.00 0.00 ATOM 612 OE1 GLU 77 20.941 32.852 23.702 1.00 0.00 ATOM 613 OE2 GLU 77 22.723 32.198 22.597 1.00 0.00 ATOM 614 O GLU 77 20.736 27.159 23.796 1.00 0.00 ATOM 615 C GLU 77 19.888 28.034 23.964 1.00 0.00 ATOM 616 N LEU 78 18.815 28.161 23.160 1.00 0.00 ATOM 617 CA LEU 78 18.693 27.340 21.992 1.00 0.00 ATOM 618 CB LEU 78 17.315 26.677 21.945 1.00 0.00 ATOM 619 CG LEU 78 17.021 25.810 20.719 1.00 0.00 ATOM 620 CD1 LEU 78 17.947 24.604 20.679 1.00 0.00 ATOM 621 CD2 LEU 78 15.586 25.308 20.746 1.00 0.00 ATOM 622 O LEU 78 18.107 29.189 20.622 1.00 0.00 ATOM 623 C LEU 78 18.880 28.255 20.822 1.00 0.00 ATOM 624 N ILE 79 19.939 28.036 20.019 1.00 0.00 ATOM 625 CA ILE 79 20.120 28.865 18.861 1.00 0.00 ATOM 626 CB ILE 79 21.340 29.793 19.016 1.00 0.00 ATOM 627 CG1 ILE 79 21.172 30.694 20.241 1.00 0.00 ATOM 628 CG2 ILE 79 21.498 30.674 17.787 1.00 0.00 ATOM 629 CD1 ILE 79 20.038 31.688 20.117 1.00 0.00 ATOM 630 O ILE 79 21.083 26.964 17.886 1.00 0.00 ATOM 631 C ILE 79 20.321 27.919 17.723 1.00 0.00 ATOM 632 N ASN 80 19.653 28.179 16.565 1.00 0.00 ATOM 633 CA ASN 80 19.649 27.276 15.436 1.00 0.00 ATOM 634 CB ASN 80 20.983 27.349 14.688 1.00 0.00 ATOM 635 CG ASN 80 21.247 28.722 14.101 1.00 0.00 ATOM 636 ND2 ASN 80 22.318 29.362 14.557 1.00 0.00 ATOM 637 OD1 ASN 80 20.497 29.198 13.250 1.00 0.00 ATOM 638 O ASN 80 20.326 25.087 16.055 1.00 0.00 ATOM 639 C ASN 80 19.435 25.933 16.030 1.00 0.00 ATOM 640 N PRO 81 18.009 25.925 16.495 1.00 0.00 ATOM 641 CA PRO 81 17.650 24.925 17.466 1.00 0.00 ATOM 642 CB PRO 81 16.335 24.350 16.936 1.00 0.00 ATOM 643 CG PRO 81 15.719 25.472 16.170 1.00 0.00 ATOM 644 CD PRO 81 16.859 26.234 15.555 1.00 0.00 ATOM 645 O PRO 81 18.364 22.667 17.264 1.00 0.00 ATOM 646 C PRO 81 18.570 23.788 17.722 1.00 0.00 ATOM 647 N ILE 82 19.602 24.121 18.515 1.00 0.00 ATOM 648 CA ILE 82 20.590 23.243 19.044 1.00 0.00 ATOM 649 CB ILE 82 21.806 23.304 18.140 1.00 0.00 ATOM 650 CG1 ILE 82 21.467 22.664 16.793 1.00 0.00 ATOM 651 CG2 ILE 82 22.948 22.493 18.775 1.00 0.00 ATOM 652 CD1 ILE 82 22.627 22.754 15.799 1.00 0.00 ATOM 653 O ILE 82 21.075 25.021 20.515 1.00 0.00 ATOM 654 C ILE 82 20.908 23.808 20.385 1.00 0.00 ATOM 655 N ALA 83 20.978 22.957 21.425 1.00 0.00 ATOM 656 CA ALA 83 21.277 23.502 22.713 1.00 0.00 ATOM 657 CB ALA 83 21.319 22.398 23.757 1.00 0.00 ATOM 658 O ALA 83 23.587 23.644 22.081 1.00 0.00 ATOM 659 C ALA 83 22.621 24.213 22.590 1.00 0.00 ATOM 660 N ASP 84 22.679 25.455 23.056 1.00 0.00 ATOM 661 CA ASP 84 23.881 26.195 22.990 1.00 0.00 ATOM 662 CB ASP 84 23.493 27.414 22.164 1.00 0.00 ATOM 663 CG ASP 84 24.652 28.336 21.892 1.00 0.00 ATOM 664 OD1 ASP 84 25.507 27.957 21.069 1.00 0.00 ATOM 665 OD2 ASP 84 24.688 29.421 22.504 1.00 0.00 ATOM 666 O ASP 84 23.555 27.036 25.178 1.00 0.00 ATOM 667 C ASP 84 24.345 26.614 24.334 1.00 0.00 ATOM 668 N THR 85 25.651 26.504 24.557 1.00 0.00 ATOM 669 CA THR 85 26.231 26.886 25.839 1.00 0.00 ATOM 670 CB THR 85 27.144 25.818 26.471 1.00 0.00 ATOM 671 CG2 THR 85 27.700 26.310 27.799 1.00 0.00 ATOM 672 OG1 THR 85 26.395 24.619 26.698 1.00 0.00 ATOM 673 O THR 85 27.798 28.173 24.581 1.00 0.00 ATOM 674 C THR 85 27.085 28.115 25.555 1.00 0.00 ATOM 675 N VAL 86 26.882 29.102 26.349 1.00 0.00 ATOM 676 CA VAL 86 27.586 30.361 26.155 1.00 0.00 ATOM 677 CB VAL 86 26.649 31.576 26.021 1.00 0.00 ATOM 678 CG1 VAL 86 27.453 32.851 25.818 1.00 0.00 ATOM 679 CG2 VAL 86 25.715 31.402 24.835 1.00 0.00 ATOM 680 O VAL 86 28.085 30.619 28.463 1.00 0.00 ATOM 681 C VAL 86 28.501 30.614 27.306 1.00 0.00 ATOM 682 N ALA 87 29.797 30.810 27.009 1.00 0.00 ATOM 683 CA ALA 87 30.706 31.098 28.073 1.00 0.00 ATOM 684 CB ALA 87 31.671 29.932 28.236 1.00 0.00 ATOM 685 O ALA 87 31.896 32.508 26.583 1.00 0.00 ATOM 686 C ALA 87 31.448 32.336 27.715 1.00 0.00 ATOM 687 N THR 88 31.580 33.259 28.677 1.00 0.00 ATOM 688 CA THR 88 32.311 34.449 28.376 1.00 0.00 ATOM 689 CB THR 88 31.371 35.665 28.250 1.00 0.00 ATOM 690 CG2 THR 88 30.347 35.483 27.257 1.00 0.00 ATOM 691 OG1 THR 88 30.668 35.878 29.491 1.00 0.00 ATOM 692 O THR 88 32.841 34.355 30.718 1.00 0.00 ATOM 693 C THR 88 33.184 34.719 29.586 1.00 0.00 ATOM 694 N ALA 89 34.264 35.387 29.325 1.00 0.00 ATOM 695 CA ALA 89 35.199 35.724 30.382 1.00 0.00 ATOM 696 CB ALA 89 36.468 34.893 30.275 1.00 0.00 ATOM 697 O ALA 89 35.947 37.671 29.258 1.00 0.00 ATOM 698 C ALA 89 35.568 37.167 30.315 1.00 0.00 ATOM 699 N THR 90 35.525 37.861 31.469 1.00 0.00 ATOM 700 CA THR 90 35.920 39.233 31.466 1.00 0.00 ATOM 701 CB THR 90 34.947 40.080 32.305 1.00 0.00 ATOM 702 CG2 THR 90 33.565 40.093 31.668 1.00 0.00 ATOM 703 OG1 THR 90 34.844 39.532 33.625 1.00 0.00 ATOM 704 O THR 90 37.790 40.529 32.225 1.00 0.00 ATOM 705 C THR 90 37.368 39.418 31.905 1.00 0.00 ATOM 706 N TYR 91 38.128 38.327 31.919 1.00 0.00 ATOM 707 CA TYR 91 39.535 38.385 32.322 1.00 0.00 ATOM 708 CB TYR 91 39.797 37.269 33.335 1.00 0.00 ATOM 709 CG TYR 91 41.212 37.244 33.868 1.00 0.00 ATOM 710 CD1 TYR 91 41.618 38.141 34.846 1.00 0.00 ATOM 711 CD2 TYR 91 42.137 36.324 33.390 1.00 0.00 ATOM 712 CE1 TYR 91 42.910 38.126 35.340 1.00 0.00 ATOM 713 CE2 TYR 91 43.431 36.294 33.872 1.00 0.00 ATOM 714 CZ TYR 91 43.813 37.207 34.853 1.00 0.00 ATOM 715 OH TYR 91 45.100 37.190 35.342 1.00 0.00 ATOM 716 O TYR 91 40.093 37.394 30.240 1.00 0.00 ATOM 717 C TYR 91 40.365 38.237 31.096 1.00 0.00 ATOM 718 N GLN 92 41.403 39.062 30.990 1.00 0.00 ATOM 719 CA GLN 92 42.293 39.014 29.837 1.00 0.00 ATOM 720 CB GLN 92 43.380 40.082 29.961 1.00 0.00 ATOM 721 CG GLN 92 44.295 40.181 28.751 1.00 0.00 ATOM 722 CD GLN 92 45.287 41.322 28.862 1.00 0.00 ATOM 723 OE1 GLN 92 45.360 41.996 29.889 1.00 0.00 ATOM 724 NE2 GLN 92 46.054 41.543 27.801 1.00 0.00 ATOM 725 O GLN 92 43.509 37.131 30.683 1.00 0.00 ATOM 726 C GLN 92 42.948 37.642 29.713 1.00 0.00 ATOM 727 N GLY 93 42.842 37.026 28.545 1.00 0.00 ATOM 728 CA GLY 93 43.328 35.664 28.379 1.00 0.00 ATOM 729 O GLY 93 42.269 33.511 28.448 1.00 0.00 ATOM 730 C GLY 93 42.137 34.734 28.526 1.00 0.00 ATOM 731 N ALA 94 40.964 35.321 28.763 1.00 0.00 ATOM 732 CA ALA 94 39.727 34.561 28.909 1.00 0.00 ATOM 733 CB ALA 94 38.490 35.511 28.822 1.00 0.00 ATOM 734 O ALA 94 38.446 33.020 27.578 1.00 0.00 ATOM 735 C ALA 94 39.346 33.863 27.598 1.00 0.00 ATOM 736 N ASP 95 40.008 34.235 26.504 1.00 0.00 ATOM 737 CA ASP 95 39.741 33.596 25.215 1.00 0.00 ATOM 738 CB ASP 95 40.211 34.488 24.064 1.00 0.00 ATOM 739 CG ASP 95 39.320 35.697 23.864 1.00 0.00 ATOM 740 OD1 ASP 95 38.203 35.712 24.420 1.00 0.00 ATOM 741 OD2 ASP 95 39.741 36.633 23.150 1.00 0.00 ATOM 742 O ASP 95 40.222 31.544 24.128 1.00 0.00 ATOM 743 C ASP 95 40.472 32.253 25.094 1.00 0.00 ATOM 744 N VAL 96 41.574 31.555 26.161 1.00 0.00 ATOM 745 CA VAL 96 41.070 30.905 27.374 1.00 0.00 ATOM 746 CB VAL 96 39.983 31.753 28.058 1.00 0.00 ATOM 747 CG1 VAL 96 38.794 31.946 27.129 1.00 0.00 ATOM 748 CG2 VAL 96 39.494 31.072 29.327 1.00 0.00 ATOM 749 O VAL 96 39.905 29.469 25.899 1.00 0.00 ATOM 750 C VAL 96 40.493 29.593 26.970 1.00 0.00 ATOM 751 N ASP 97 40.677 28.567 27.822 1.00 0.00 ATOM 752 CA ASP 97 40.231 27.247 27.499 1.00 0.00 ATOM 753 CB ASP 97 41.149 26.202 28.136 1.00 0.00 ATOM 754 CG ASP 97 42.501 26.123 27.458 1.00 0.00 ATOM 755 OD1 ASP 97 42.633 26.646 26.330 1.00 0.00 ATOM 756 OD2 ASP 97 43.432 25.539 28.053 1.00 0.00 ATOM 757 O ASP 97 38.537 27.355 29.157 1.00 0.00 ATOM 758 C ASP 97 38.843 27.051 28.005 1.00 0.00 ATOM 759 N TRP 98 37.959 26.552 27.122 1.00 0.00 ATOM 760 CA TRP 98 36.626 26.207 27.514 1.00 0.00 ATOM 761 CB TRP 98 35.603 26.995 27.783 1.00 0.00 ATOM 762 CG TRP 98 34.295 26.291 27.664 1.00 0.00 ATOM 763 CD1 TRP 98 33.727 25.437 28.566 1.00 0.00 ATOM 764 CD2 TRP 98 33.389 26.366 26.553 1.00 0.00 ATOM 765 CE2 TRP 98 32.297 25.531 26.869 1.00 0.00 ATOM 766 CE3 TRP 98 33.389 27.056 25.325 1.00 0.00 ATOM 767 NE1 TRP 98 32.508 24.962 28.102 1.00 0.00 ATOM 768 CZ2 TRP 98 31.232 25.376 26.007 1.00 0.00 ATOM 769 CZ3 TRP 98 32.322 26.896 24.469 1.00 0.00 ATOM 770 CH2 TRP 98 31.260 26.057 24.828 1.00 0.00 ATOM 771 O TRP 98 36.453 24.561 25.779 1.00 0.00 ATOM 772 C TRP 98 36.411 24.794 26.987 1.00 0.00 ATOM 773 N TYR 99 36.179 23.850 27.895 1.00 0.00 ATOM 774 CA TYR 99 35.966 22.523 27.501 1.00 0.00 ATOM 775 CB TYR 99 37.020 21.605 28.125 1.00 0.00 ATOM 776 CG TYR 99 38.431 21.888 27.661 1.00 0.00 ATOM 777 CD1 TYR 99 39.234 22.797 28.339 1.00 0.00 ATOM 778 CD2 TYR 99 38.956 21.247 26.545 1.00 0.00 ATOM 779 CE1 TYR 99 40.524 23.061 27.921 1.00 0.00 ATOM 780 CE2 TYR 99 40.243 21.501 26.114 1.00 0.00 ATOM 781 CZ TYR 99 41.027 22.416 26.813 1.00 0.00 ATOM 782 OH TYR 99 42.312 22.678 26.397 1.00 0.00 ATOM 783 O TYR 99 34.247 22.266 29.156 1.00 0.00 ATOM 784 C TYR 99 34.568 22.139 27.974 1.00 0.00 ATOM 785 N ILE 100 33.738 21.667 27.048 1.00 0.00 ATOM 786 CA ILE 100 32.440 21.288 27.390 1.00 0.00 ATOM 787 CB ILE 100 31.395 22.213 26.739 1.00 0.00 ATOM 788 CG1 ILE 100 29.987 21.840 27.206 1.00 0.00 ATOM 789 CG2 ILE 100 31.448 22.092 25.223 1.00 0.00 ATOM 790 CD1 ILE 100 28.936 22.873 26.862 1.00 0.00 ATOM 791 O ILE 100 32.485 19.569 25.724 1.00 0.00 ATOM 792 C ILE 100 32.181 19.877 26.878 1.00 0.00 ATOM 793 N LYS 101 31.662 19.072 27.750 1.00 0.00 ATOM 794 CA LYS 101 31.315 17.712 27.351 1.00 0.00 ATOM 795 CB LYS 101 32.432 16.742 27.746 1.00 0.00 ATOM 796 CG LYS 101 32.245 15.331 27.214 1.00 0.00 ATOM 797 CD LYS 101 33.432 14.448 27.561 1.00 0.00 ATOM 798 CE LYS 101 33.289 13.065 26.950 1.00 0.00 ATOM 799 NZ LYS 101 34.434 12.181 27.300 1.00 0.00 ATOM 800 O LYS 101 29.962 17.404 29.311 1.00 0.00 ATOM 801 C LYS 101 30.061 17.274 28.089 1.00 0.00 ATOM 802 N ALA 102 29.141 16.773 27.363 1.00 0.00 ATOM 803 CA ALA 102 27.909 16.253 27.926 1.00 0.00 ATOM 804 CB ALA 102 26.732 16.417 26.975 1.00 0.00 ATOM 805 O ALA 102 28.055 13.897 27.495 1.00 0.00 ATOM 806 C ALA 102 28.071 14.795 28.339 1.00 0.00 ATOM 807 N ASP 103 28.227 14.559 29.638 1.00 0.00 ATOM 808 CA ASP 103 28.382 13.243 30.117 1.00 0.00 ATOM 809 CB ASP 103 28.874 13.255 31.565 1.00 0.00 ATOM 810 CG ASP 103 30.321 13.690 31.685 1.00 0.00 ATOM 811 OD1 ASP 103 31.014 13.743 30.648 1.00 0.00 ATOM 812 OD2 ASP 103 30.763 13.978 32.818 1.00 0.00 ATOM 813 O ASP 103 27.068 11.255 29.850 1.00 0.00 ATOM 814 C ASP 103 27.068 12.461 30.065 1.00 0.00 ATOM 815 N ASP 104 25.983 13.138 30.369 1.00 0.00 ATOM 816 CA ASP 104 24.744 12.444 30.572 1.00 0.00 ATOM 817 CB ASP 104 24.128 12.538 31.970 1.00 0.00 ATOM 818 CG ASP 104 24.921 11.771 33.010 1.00 0.00 ATOM 819 OD1 ASP 104 25.209 10.578 32.776 1.00 0.00 ATOM 820 OD2 ASP 104 25.254 12.362 34.057 1.00 0.00 ATOM 821 O ASP 104 23.710 14.177 29.335 1.00 0.00 ATOM 822 C ASP 104 23.743 12.983 29.581 1.00 0.00 ATOM 823 N ILE 105 22.715 12.187 29.208 1.00 0.00 ATOM 824 CA ILE 105 21.694 12.647 28.281 1.00 0.00 ATOM 825 CB ILE 105 21.891 12.304 26.793 1.00 0.00 ATOM 826 CG1 ILE 105 23.175 12.945 26.263 1.00 0.00 ATOM 827 CG2 ILE 105 20.720 12.818 25.969 1.00 0.00 ATOM 828 CD1 ILE 105 23.172 14.457 26.322 1.00 0.00 ATOM 829 O ILE 105 20.232 10.773 28.724 1.00 0.00 ATOM 830 C ILE 105 20.355 11.998 28.717 1.00 0.00 ATOM 831 N VAL 106 19.374 12.823 29.071 1.00 0.00 ATOM 832 CA VAL 106 18.075 12.314 29.495 1.00 0.00 ATOM 833 CB VAL 106 17.527 13.113 30.702 1.00 0.00 ATOM 834 CG1 VAL 106 16.201 12.540 31.173 1.00 0.00 ATOM 835 CG2 VAL 106 18.533 13.130 31.847 1.00 0.00 ATOM 836 O VAL 106 16.752 13.268 27.703 1.00 0.00 ATOM 837 C VAL 106 17.042 12.275 28.373 1.00 0.00 ATOM 838 N LEU 107 16.524 11.076 28.102 1.00 0.00 ATOM 839 CA LEU 107 15.545 10.912 27.018 1.00 0.00 ATOM 840 CB LEU 107 15.984 9.772 26.098 1.00 0.00 ATOM 841 CG LEU 107 17.361 9.916 25.448 1.00 0.00 ATOM 842 CD1 LEU 107 17.708 8.674 24.642 1.00 0.00 ATOM 843 CD2 LEU 107 17.391 11.114 24.511 1.00 0.00 ATOM 844 O LEU 107 14.242 10.280 28.862 1.00 0.00 ATOM 845 C LEU 107 14.197 10.576 27.686 1.00 0.00 ATOM 846 N THR 108 13.104 10.768 27.016 1.00 0.00 ATOM 847 CA THR 108 11.810 10.514 27.642 1.00 0.00 ATOM 848 CB THR 108 11.027 11.820 27.865 1.00 0.00 ATOM 849 CG2 THR 108 9.695 11.532 28.541 1.00 0.00 ATOM 850 OG1 THR 108 11.789 12.703 28.698 1.00 0.00 ATOM 851 O THR 108 10.726 9.885 25.596 1.00 0.00 ATOM 852 C THR 108 10.990 9.582 26.759 1.00 0.00 ATOM 853 N LYS 109 10.589 8.445 27.320 1.00 0.00 ATOM 854 CA LYS 109 9.777 7.477 26.594 1.00 0.00 ATOM 855 CB LYS 109 9.197 6.445 27.562 1.00 0.00 ATOM 856 CG LYS 109 8.367 5.362 26.891 1.00 0.00 ATOM 857 CD LYS 109 7.866 4.344 27.903 1.00 0.00 ATOM 858 CE LYS 109 7.009 3.280 27.237 1.00 0.00 ATOM 859 NZ LYS 109 6.518 2.270 28.216 1.00 0.00 ATOM 860 O LYS 109 8.409 8.014 24.697 1.00 0.00 ATOM 861 C LYS 109 8.615 8.177 25.899 1.00 0.00 ATOM 862 N ASP 110 7.859 8.957 26.665 1.00 0.00 ATOM 863 CA ASP 110 6.601 9.513 26.183 1.00 0.00 ATOM 864 CB ASP 110 5.445 9.081 27.087 1.00 0.00 ATOM 865 CG ASP 110 4.102 9.587 26.597 1.00 0.00 ATOM 866 OD1 ASP 110 4.080 10.354 25.612 1.00 0.00 ATOM 867 OD2 ASP 110 3.072 9.214 27.197 1.00 0.00 ATOM 868 O ASP 110 6.441 11.688 27.190 1.00 0.00 ATOM 869 C ASP 110 6.643 11.037 26.165 1.00 0.00 ATOM 870 N SER 111 6.890 11.602 24.988 1.00 0.00 ATOM 871 CA SER 111 7.318 12.993 24.881 1.00 0.00 ATOM 872 CB SER 111 8.811 13.071 24.557 1.00 0.00 ATOM 873 OG SER 111 9.585 12.441 25.564 1.00 0.00 ATOM 874 O SER 111 6.835 13.536 22.595 1.00 0.00 ATOM 875 C SER 111 6.557 13.719 23.778 1.00 0.00 ATOM 876 N SER 112 5.458 14.412 23.904 1.00 0.00 ATOM 877 CA SER 112 4.916 15.274 22.860 1.00 0.00 ATOM 878 CB SER 112 3.421 15.514 23.088 1.00 0.00 ATOM 879 OG SER 112 3.198 16.266 24.268 1.00 0.00 ATOM 880 O SER 112 5.603 17.322 21.821 1.00 0.00 ATOM 881 C SER 112 5.634 16.621 22.833 1.00 0.00 ATOM 882 N SER 113 6.285 16.943 23.929 1.00 0.00 ATOM 883 CA SER 113 7.063 18.175 24.043 1.00 0.00 ATOM 884 CB SER 113 7.249 18.616 25.496 1.00 0.00 ATOM 885 OG SER 113 8.075 19.766 25.579 1.00 0.00 ATOM 886 O SER 113 8.949 18.663 22.634 1.00 0.00 ATOM 887 C SER 113 8.480 17.952 23.535 1.00 0.00 ATOM 888 N PHE 114 9.216 17.025 24.120 1.00 0.00 ATOM 889 CA PHE 114 10.571 16.739 23.681 1.00 0.00 ATOM 890 CB PHE 114 11.290 15.889 24.678 1.00 0.00 ATOM 891 CG PHE 114 11.498 16.616 25.967 1.00 0.00 ATOM 892 CD1 PHE 114 12.598 17.453 26.135 1.00 0.00 ATOM 893 CD2 PHE 114 10.560 16.521 26.997 1.00 0.00 ATOM 894 CE1 PHE 114 12.756 18.191 27.314 1.00 0.00 ATOM 895 CE2 PHE 114 10.706 17.251 28.173 1.00 0.00 ATOM 896 CZ PHE 114 11.814 18.092 28.330 1.00 0.00 ATOM 897 O PHE 114 11.652 15.951 21.689 1.00 0.00 ATOM 898 C PHE 114 10.596 16.081 22.307 1.00 0.00 ATOM 899 N LYS 115 9.425 15.667 21.834 1.00 0.00 ATOM 900 CA LYS 115 9.308 15.037 20.525 1.00 0.00 ATOM 901 CB LYS 115 8.159 14.026 20.518 1.00 0.00 ATOM 902 CG LYS 115 8.104 13.157 19.272 1.00 0.00 ATOM 903 CD LYS 115 6.966 12.152 19.349 1.00 0.00 ATOM 904 CE LYS 115 6.977 11.214 18.154 1.00 0.00 ATOM 905 NZ LYS 115 5.883 10.206 18.229 1.00 0.00 ATOM 906 O LYS 115 9.049 15.752 18.251 1.00 0.00 ATOM 907 C LYS 115 9.034 16.071 19.439 1.00 0.00 ATOM 908 N ALA 116 8.726 17.293 19.857 1.00 0.00 ATOM 909 CA ALA 116 8.380 18.359 18.925 1.00 0.00 ATOM 910 CB ALA 116 7.848 19.569 19.677 1.00 0.00 ATOM 911 O ALA 116 10.692 18.935 18.652 1.00 0.00 ATOM 912 C ALA 116 9.593 18.799 18.114 1.00 0.00 ATOM 913 N GLN 117 9.387 19.015 16.852 1.00 0.00 ATOM 914 CA GLN 117 10.483 19.434 15.904 1.00 0.00 ATOM 915 CB GLN 117 10.028 19.368 14.444 1.00 0.00 ATOM 916 CG GLN 117 9.708 17.964 13.957 1.00 0.00 ATOM 917 CD GLN 117 10.913 17.046 13.988 1.00 0.00 ATOM 918 OE1 GLN 117 11.958 17.360 13.418 1.00 0.00 ATOM 919 NE2 GLN 117 10.772 15.907 14.656 1.00 0.00 ATOM 920 O GLN 117 9.998 21.645 16.697 1.00 0.00 ATOM 921 C GLN 117 10.837 20.881 16.223 1.00 0.00 ATOM 922 N PRO 118 12.086 21.251 15.961 1.00 0.00 ATOM 923 CA PRO 118 12.557 22.604 16.230 1.00 0.00 ATOM 924 CB PRO 118 13.934 22.626 15.564 1.00 0.00 ATOM 925 CG PRO 118 14.384 21.164 15.642 1.00 0.00 ATOM 926 CD PRO 118 13.149 20.399 15.353 1.00 0.00 ATOM 927 O PRO 118 11.235 23.296 14.352 1.00 0.00 ATOM 928 C PRO 118 11.702 23.597 15.451 1.00 0.00 ATOM 929 N GLN 119 11.448 24.759 16.047 1.00 0.00 ATOM 930 CA GLN 119 10.635 25.800 15.389 1.00 0.00 ATOM 931 CB GLN 119 10.060 26.709 16.517 1.00 0.00 ATOM 932 CG GLN 119 9.445 25.951 17.691 1.00 0.00 ATOM 933 CD GLN 119 8.137 25.283 17.326 1.00 0.00 ATOM 934 OE1 GLN 119 7.190 25.960 16.951 1.00 0.00 ATOM 935 NE2 GLN 119 8.079 23.963 17.443 1.00 0.00 ATOM 936 O GLN 119 12.552 26.746 14.308 1.00 0.00 ATOM 937 C GLN 119 11.421 26.277 14.177 1.00 0.00 ATOM 938 N ALA 120 10.821 26.157 12.997 1.00 0.00 ATOM 939 CA ALA 120 11.481 26.586 11.769 1.00 0.00 ATOM 940 CB ALA 120 10.640 26.168 10.569 1.00 0.00 ATOM 941 O ALA 120 10.848 28.904 11.847 1.00 0.00 ATOM 942 C ALA 120 11.736 28.079 11.633 1.00 0.00 ATOM 943 N LYS 121 12.934 28.409 11.144 1.00 0.00 ATOM 944 CA LYS 121 13.342 29.797 10.938 1.00 0.00 ATOM 945 CB LYS 121 13.809 30.374 12.274 1.00 0.00 ATOM 946 CG LYS 121 14.046 31.851 12.292 1.00 0.00 ATOM 947 CD LYS 121 14.091 32.345 13.735 1.00 0.00 ATOM 948 CE LYS 121 14.582 33.780 13.792 1.00 0.00 ATOM 949 NZ LYS 121 14.634 34.331 15.172 1.00 0.00 ATOM 950 O LYS 121 15.398 28.866 10.090 1.00 0.00 ATOM 951 C LYS 121 14.687 29.863 10.225 1.00 0.00 ATOM 952 N LYS 122 15.070 31.064 9.808 1.00 0.00 ATOM 953 CA LYS 122 15.503 31.297 8.436 1.00 0.00 ATOM 954 CB LYS 122 15.519 32.787 8.091 1.00 0.00 ATOM 955 CG LYS 122 14.137 33.408 7.961 1.00 0.00 ATOM 956 CD LYS 122 14.225 34.886 7.614 1.00 0.00 ATOM 957 CE LYS 122 12.845 35.514 7.517 1.00 0.00 ATOM 958 NZ LYS 122 12.918 36.967 7.201 1.00 0.00 ATOM 959 O LYS 122 17.249 30.159 7.227 1.00 0.00 ATOM 960 C LYS 122 16.935 30.765 8.252 1.00 0.00 ATOM 961 N GLU 123 17.789 30.997 9.243 1.00 0.00 ATOM 962 CA GLU 123 19.171 30.534 9.173 1.00 0.00 ATOM 963 CB GLU 123 19.978 31.248 10.259 1.00 0.00 ATOM 964 CG GLU 123 20.219 32.723 9.984 1.00 0.00 ATOM 965 CD GLU 123 20.895 33.429 11.143 1.00 0.00 ATOM 966 OE1 GLU 123 21.112 32.781 12.189 1.00 0.00 ATOM 967 OE2 GLU 123 21.208 34.631 11.007 1.00 0.00 ATOM 968 O GLU 123 19.809 28.290 8.719 1.00 0.00 ATOM 969 C GLU 123 19.205 29.036 9.484 1.00 0.00 ATOM 970 N PRO 124 18.574 28.601 10.559 1.00 0.00 ATOM 971 CA PRO 124 18.610 27.162 10.840 1.00 0.00 ATOM 972 CB PRO 124 17.826 27.032 12.156 1.00 0.00 ATOM 973 CG PRO 124 17.900 28.358 12.769 1.00 0.00 ATOM 974 CD PRO 124 17.852 29.336 11.615 1.00 0.00 ATOM 975 O PRO 124 17.903 25.027 10.002 1.00 0.00 ATOM 976 C PRO 124 17.938 26.245 9.822 1.00 0.00 ATOM 977 N THR 125 17.360 26.836 8.781 1.00 0.00 ATOM 978 CA THR 125 16.695 26.060 7.754 1.00 0.00 ATOM 979 CB THR 125 15.861 26.931 6.796 1.00 0.00 ATOM 980 CG2 THR 125 14.747 27.639 7.554 1.00 0.00 ATOM 981 OG1 THR 125 16.704 27.915 6.184 1.00 0.00 ATOM 982 O THR 125 17.198 24.389 6.125 1.00 0.00 ATOM 983 C THR 125 17.626 25.288 6.851 1.00 0.00 ATOM 984 N GLN 126 18.917 25.595 6.932 1.00 0.00 ATOM 985 CA GLN 126 19.909 24.913 6.108 1.00 0.00 ATOM 986 CB GLN 126 21.237 25.663 5.977 1.00 0.00 ATOM 987 CG GLN 126 21.150 26.936 5.151 1.00 0.00 ATOM 988 CD GLN 126 22.470 27.681 5.089 1.00 0.00 ATOM 989 OE1 GLN 126 23.436 27.306 5.754 1.00 0.00 ATOM 990 NE2 GLN 126 22.513 28.739 4.289 1.00 0.00 ATOM 991 O GLN 126 20.350 22.539 5.954 1.00 0.00 ATOM 992 C GLN 126 20.226 23.535 6.683 1.00 0.00 ATOM 993 N ASP 127 20.363 23.473 8.007 1.00 0.00 ATOM 994 CA ASP 127 20.632 22.203 8.673 1.00 0.00 ATOM 995 CB ASP 127 21.548 22.416 9.880 1.00 0.00 ATOM 996 CG ASP 127 21.919 21.114 10.565 1.00 0.00 ATOM 997 OD1 ASP 127 21.386 20.058 10.165 1.00 0.00 ATOM 998 OD2 ASP 127 22.745 21.150 11.502 1.00 0.00 ATOM 999 O ASP 127 18.589 22.190 9.960 1.00 0.00 ATOM 1000 C ASP 127 19.309 21.596 9.145 1.00 0.00 ATOM 1001 N LYS 128 18.974 20.430 8.608 1.00 0.00 ATOM 1002 CA LYS 128 17.743 19.771 9.007 1.00 0.00 ATOM 1003 CB LYS 128 17.520 18.506 8.176 1.00 0.00 ATOM 1004 CG LYS 128 17.241 18.772 6.705 1.00 0.00 ATOM 1005 CD LYS 128 16.999 17.477 5.946 1.00 0.00 ATOM 1006 CE LYS 128 16.741 17.742 4.472 1.00 0.00 ATOM 1007 NZ LYS 128 16.517 16.480 3.712 1.00 0.00 ATOM 1008 O LYS 128 16.653 18.959 10.954 1.00 0.00 ATOM 1009 C LYS 128 17.717 19.340 10.475 1.00 0.00 TER END