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 1 Mon Jul 21 13:26:50 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 5.678 29.215 34.817 1.00 0.00 ATOM 2 CA MET 1 6.657 28.574 33.919 1.00 0.00 ATOM 3 CB MET 1 6.429 29.028 32.479 1.00 0.00 ATOM 4 CG MET 1 5.053 28.689 31.923 1.00 0.00 ATOM 5 SD MET 1 4.762 26.911 31.822 1.00 0.00 ATOM 6 CE MET 1 5.864 26.463 30.483 1.00 0.00 ATOM 7 O MET 1 8.285 29.851 35.096 1.00 0.00 ATOM 8 C MET 1 8.087 28.889 34.356 1.00 0.00 ATOM 9 N MET 2 9.055 28.253 33.689 1.00 0.00 ATOM 10 CA MET 2 10.472 28.551 33.942 1.00 0.00 ATOM 11 CB MET 2 11.335 27.335 33.609 1.00 0.00 ATOM 12 CG MET 2 12.805 27.487 33.974 1.00 0.00 ATOM 13 SD MET 2 13.768 26.005 33.614 1.00 0.00 ATOM 14 CE MET 2 13.903 26.112 31.832 1.00 0.00 ATOM 15 O MET 2 10.627 29.868 31.937 1.00 0.00 ATOM 16 C MET 2 10.897 29.768 33.119 1.00 0.00 ATOM 17 N ARG 3 11.381 30.745 33.871 1.00 0.00 ATOM 18 CA ARG 3 12.047 31.909 33.260 1.00 0.00 ATOM 19 CB ARG 3 11.490 33.226 33.778 1.00 0.00 ATOM 20 CG ARG 3 12.053 34.468 33.107 1.00 0.00 ATOM 21 CD ARG 3 11.463 35.745 33.585 1.00 0.00 ATOM 22 NE ARG 3 12.058 36.938 33.005 1.00 0.00 ATOM 23 CZ ARG 3 11.735 37.447 31.801 1.00 0.00 ATOM 24 NH1 ARG 3 10.852 36.852 31.029 1.00 0.00 ATOM 25 NH2 ARG 3 12.347 38.548 31.403 1.00 0.00 ATOM 26 O ARG 3 14.079 32.303 34.454 1.00 0.00 ATOM 27 C ARG 3 13.562 31.798 33.458 1.00 0.00 ATOM 28 N LEU 4 14.281 31.375 32.428 1.00 0.00 ATOM 29 CA LEU 4 15.756 31.247 32.503 1.00 0.00 ATOM 30 CB LEU 4 16.216 30.063 33.362 1.00 0.00 ATOM 31 CG LEU 4 16.062 30.272 34.877 1.00 0.00 ATOM 32 CD1 LEU 4 16.428 29.008 35.635 1.00 0.00 ATOM 33 CD2 LEU 4 16.861 31.451 35.413 1.00 0.00 ATOM 34 O LEU 4 16.257 30.202 30.364 1.00 0.00 ATOM 35 C LEU 4 16.416 31.139 31.126 1.00 0.00 ATOM 36 N ALA 5 17.057 32.231 30.761 1.00 0.00 ATOM 37 CA ALA 5 17.704 32.358 29.453 1.00 0.00 ATOM 38 CB ALA 5 16.671 33.090 28.599 1.00 0.00 ATOM 39 O ALA 5 19.369 33.452 30.780 1.00 0.00 ATOM 40 C ALA 5 18.994 33.148 29.632 1.00 0.00 ATOM 41 N ASN 6 19.572 33.585 28.534 1.00 0.00 ATOM 42 CA ASN 6 20.867 34.278 28.542 1.00 0.00 ATOM 43 CB ASN 6 21.953 33.221 28.418 1.00 0.00 ATOM 44 CG ASN 6 21.966 32.244 29.589 1.00 0.00 ATOM 45 ND2 ASN 6 22.628 32.627 30.640 1.00 0.00 ATOM 46 OD1 ASN 6 21.388 31.185 29.592 1.00 0.00 ATOM 47 O ASN 6 20.520 34.945 26.260 1.00 0.00 ATOM 48 C ASN 6 21.033 35.232 27.352 1.00 0.00 ATOM 49 N GLY 7 21.976 36.134 27.523 1.00 0.00 ATOM 50 CA GLY 7 22.328 37.086 26.464 1.00 0.00 ATOM 51 O GLY 7 24.638 36.302 26.548 1.00 0.00 ATOM 52 C GLY 7 23.671 36.671 25.863 1.00 0.00 ATOM 53 N ILE 8 23.642 36.644 24.541 1.00 0.00 ATOM 54 CA ILE 8 24.842 36.282 23.769 1.00 0.00 ATOM 55 CB ILE 8 24.524 36.131 22.270 1.00 0.00 ATOM 56 CG1 ILE 8 23.785 34.815 22.012 1.00 0.00 ATOM 57 CG2 ILE 8 25.802 36.197 21.447 1.00 0.00 ATOM 58 CD1 ILE 8 22.359 34.808 22.516 1.00 0.00 ATOM 59 O ILE 8 25.645 38.554 23.967 1.00 0.00 ATOM 60 C ILE 8 25.915 37.354 23.977 1.00 0.00 ATOM 61 N VAL 9 27.084 36.861 24.329 1.00 0.00 ATOM 62 CA VAL 9 28.254 37.737 24.490 1.00 0.00 ATOM 63 CB VAL 9 28.703 37.843 25.962 1.00 0.00 ATOM 64 CG1 VAL 9 29.764 38.928 26.119 1.00 0.00 ATOM 65 CG2 VAL 9 27.544 38.299 26.838 1.00 0.00 ATOM 66 O VAL 9 29.930 38.104 22.838 1.00 0.00 ATOM 67 C VAL 9 29.392 37.285 23.569 1.00 0.00 ATOM 68 N LEU 10 29.741 36.003 23.673 1.00 0.00 ATOM 69 CA LEU 10 30.813 35.426 22.834 1.00 0.00 ATOM 70 CB LEU 10 32.063 35.159 23.681 1.00 0.00 ATOM 71 CG LEU 10 32.604 36.372 24.448 1.00 0.00 ATOM 72 CD1 LEU 10 32.135 36.327 25.895 1.00 0.00 ATOM 73 CD2 LEU 10 34.124 36.384 24.374 1.00 0.00 ATOM 74 O LEU 10 29.344 33.565 22.606 1.00 0.00 ATOM 75 C LEU 10 30.327 34.148 22.165 1.00 0.00 ATOM 76 N ASP 11 30.796 33.935 20.953 1.00 0.00 ATOM 77 CA ASP 11 30.528 32.687 20.238 1.00 0.00 ATOM 78 CB ASP 11 29.701 33.047 19.012 1.00 0.00 ATOM 79 CG ASP 11 30.421 33.942 17.989 1.00 0.00 ATOM 80 OD1 ASP 11 31.595 34.281 18.214 1.00 0.00 ATOM 81 OD2 ASP 11 29.786 34.169 16.964 1.00 0.00 ATOM 82 O ASP 11 32.890 32.296 20.530 1.00 0.00 ATOM 83 C ASP 11 31.873 32.027 19.892 1.00 0.00 ATOM 84 N LYS 12 31.867 31.227 18.833 1.00 0.00 ATOM 85 CA LYS 12 33.108 30.610 18.330 1.00 0.00 ATOM 86 CB LYS 12 32.833 29.824 17.048 1.00 0.00 ATOM 87 CG LYS 12 34.051 29.113 16.472 1.00 0.00 ATOM 88 CD LYS 12 33.687 28.300 15.239 1.00 0.00 ATOM 89 CE LYS 12 34.912 27.629 14.635 1.00 0.00 ATOM 90 NZ LYS 12 34.569 26.825 13.432 1.00 0.00 ATOM 91 O LYS 12 35.318 31.436 18.571 1.00 0.00 ATOM 92 C LYS 12 34.223 31.627 18.062 1.00 0.00 ATOM 93 N ASP 13 33.902 32.692 17.339 1.00 0.00 ATOM 94 CA ASP 13 34.859 33.743 16.967 1.00 0.00 ATOM 95 CB ASP 13 34.250 34.675 15.917 1.00 0.00 ATOM 96 CG ASP 13 34.125 34.063 14.529 1.00 0.00 ATOM 97 OD1 ASP 13 34.710 33.031 14.301 1.00 0.00 ATOM 98 OD2 ASP 13 33.327 34.543 13.759 1.00 0.00 ATOM 99 O ASP 13 36.574 34.856 18.232 1.00 0.00 ATOM 100 C ASP 13 35.374 34.615 18.110 1.00 0.00 ATOM 101 N THR 14 34.470 34.998 19.002 1.00 0.00 ATOM 102 CA THR 14 34.854 35.918 20.069 1.00 0.00 ATOM 103 CB THR 14 33.650 36.567 20.730 1.00 0.00 ATOM 104 CG2 THR 14 34.068 37.958 21.183 1.00 0.00 ATOM 105 OG1 THR 14 32.603 36.750 19.793 1.00 0.00 ATOM 106 O THR 14 36.600 36.004 21.726 1.00 0.00 ATOM 107 C THR 14 35.790 35.313 21.125 1.00 0.00 ATOM 108 N THR 15 35.646 34.041 21.432 1.00 0.00 ATOM 109 CA THR 15 36.518 33.421 22.432 1.00 0.00 ATOM 110 CB THR 15 35.731 32.689 23.502 1.00 0.00 ATOM 111 CG2 THR 15 36.745 32.284 24.572 1.00 0.00 ATOM 112 OG1 THR 15 34.657 33.488 23.999 1.00 0.00 ATOM 113 O THR 15 38.633 32.388 22.137 1.00 0.00 ATOM 114 C THR 15 37.454 32.395 21.783 1.00 0.00 ATOM 115 N PHE 16 36.729 31.344 21.386 1.00 0.00 ATOM 116 CA PHE 16 37.125 30.179 20.609 1.00 0.00 ATOM 117 CB PHE 16 38.642 29.992 20.661 1.00 0.00 ATOM 118 CG PHE 16 39.137 28.824 19.858 1.00 0.00 ATOM 119 CD1 PHE 16 39.257 28.913 18.479 1.00 0.00 ATOM 120 CD2 PHE 16 39.483 27.633 20.478 1.00 0.00 ATOM 121 CE1 PHE 16 39.711 27.838 17.738 1.00 0.00 ATOM 122 CE2 PHE 16 39.939 26.558 19.740 1.00 0.00 ATOM 123 CZ PHE 16 40.053 26.661 18.368 1.00 0.00 ATOM 124 O PHE 16 36.829 28.111 21.955 1.00 0.00 ATOM 125 C PHE 16 36.469 28.844 21.034 1.00 0.00 ATOM 126 N GLY 17 35.432 28.612 20.232 1.00 0.00 ATOM 127 CA GLY 17 34.612 27.379 20.198 1.00 0.00 ATOM 128 O GLY 17 32.616 26.323 20.991 1.00 0.00 ATOM 129 C GLY 17 33.405 27.260 21.134 1.00 0.00 ATOM 130 N GLU 18 33.245 28.192 22.068 1.00 0.00 ATOM 131 CA GLU 18 32.084 28.187 22.978 1.00 0.00 ATOM 132 CB GLU 18 32.536 27.957 24.421 1.00 0.00 ATOM 133 CG GLU 18 33.089 26.565 24.693 1.00 0.00 ATOM 134 CD GLU 18 34.591 26.549 24.618 1.00 0.00 ATOM 135 OE1 GLU 18 35.210 27.303 25.330 1.00 0.00 ATOM 136 OE2 GLU 18 35.123 25.708 23.933 1.00 0.00 ATOM 137 O GLU 18 31.918 30.569 22.647 1.00 0.00 ATOM 138 C GLU 18 31.325 29.500 22.850 1.00 0.00 ATOM 139 N LEU 19 30.015 29.371 22.747 1.00 0.00 ATOM 140 CA LEU 19 29.142 30.545 22.794 1.00 0.00 ATOM 141 CB LEU 19 27.843 30.350 21.995 1.00 0.00 ATOM 142 CG LEU 19 28.108 30.117 20.506 1.00 0.00 ATOM 143 CD1 LEU 19 28.333 28.629 20.204 1.00 0.00 ATOM 144 CD2 LEU 19 26.968 30.708 19.679 1.00 0.00 ATOM 145 O LEU 19 28.294 30.104 25.019 1.00 0.00 ATOM 146 C LEU 19 28.875 30.887 24.271 1.00 0.00 ATOM 147 N LYS 20 29.521 31.958 24.705 1.00 0.00 ATOM 148 CA LYS 20 29.388 32.496 26.057 1.00 0.00 ATOM 149 CB LYS 20 30.566 33.415 26.387 1.00 0.00 ATOM 150 CG LYS 20 30.593 33.910 27.827 1.00 0.00 ATOM 151 CD LYS 20 31.385 32.968 28.721 1.00 0.00 ATOM 152 CE LYS 20 32.883 33.121 28.498 1.00 0.00 ATOM 153 NZ LYS 20 33.673 32.254 29.413 1.00 0.00 ATOM 154 O LYS 20 27.788 34.225 25.468 1.00 0.00 ATOM 155 C LYS 20 28.050 33.242 26.165 1.00 0.00 ATOM 156 N PHE 21 27.365 32.877 27.229 1.00 0.00 ATOM 157 CA PHE 21 26.051 33.444 27.572 1.00 0.00 ATOM 158 CB PHE 21 24.960 32.380 27.442 1.00 0.00 ATOM 159 CG PHE 21 24.793 31.850 26.047 1.00 0.00 ATOM 160 CD1 PHE 21 25.668 30.899 25.541 1.00 0.00 ATOM 161 CD2 PHE 21 23.762 32.300 25.236 1.00 0.00 ATOM 162 CE1 PHE 21 25.516 30.411 24.257 1.00 0.00 ATOM 163 CE2 PHE 21 23.607 31.813 23.953 1.00 0.00 ATOM 164 CZ PHE 21 24.486 30.867 23.463 1.00 0.00 ATOM 165 O PHE 21 26.355 33.352 29.952 1.00 0.00 ATOM 166 C PHE 21 26.045 34.022 28.968 1.00 0.00 ATOM 167 N SER 22 25.648 35.280 29.025 1.00 0.00 ATOM 168 CA SER 22 25.493 35.972 30.313 1.00 0.00 ATOM 169 CB SER 22 25.727 37.459 30.137 1.00 0.00 ATOM 170 OG SER 22 25.471 38.175 31.314 1.00 0.00 ATOM 171 O SER 22 23.090 35.849 30.217 1.00 0.00 ATOM 172 C SER 22 24.101 35.711 30.908 1.00 0.00 ATOM 173 N ALA 23 24.108 35.173 32.107 1.00 0.00 ATOM 174 CA ALA 23 23.055 34.720 33.040 1.00 0.00 ATOM 175 CB ALA 23 23.548 35.306 34.353 1.00 0.00 ATOM 176 O ALA 23 20.614 35.030 32.585 1.00 0.00 ATOM 177 C ALA 23 21.532 34.510 33.189 1.00 0.00 ATOM 178 N LEU 24 21.337 33.639 34.181 1.00 0.00 ATOM 179 CA LEU 24 20.086 33.352 34.866 1.00 0.00 ATOM 180 CB LEU 24 20.169 31.963 35.490 1.00 0.00 ATOM 181 CG LEU 24 20.398 30.816 34.502 1.00 0.00 ATOM 182 CD1 LEU 24 20.194 29.520 35.292 1.00 0.00 ATOM 183 CD2 LEU 24 19.534 30.858 33.242 1.00 0.00 ATOM 184 O LEU 24 20.824 34.835 36.645 1.00 0.00 ATOM 185 C LEU 24 19.896 34.331 36.025 1.00 0.00 ATOM 186 N ARG 25 18.668 34.253 36.493 1.00 0.00 ATOM 187 CA ARG 25 18.213 35.069 37.613 1.00 0.00 ATOM 188 CB ARG 25 16.698 35.057 37.752 1.00 0.00 ATOM 189 CG ARG 25 15.947 35.755 36.629 1.00 0.00 ATOM 190 CD ARG 25 14.468 35.717 36.765 1.00 0.00 ATOM 191 NE ARG 25 13.947 36.467 37.896 1.00 0.00 ATOM 192 CZ ARG 25 12.673 36.411 38.330 1.00 0.00 ATOM 193 NH1 ARG 25 11.779 35.672 37.711 1.00 0.00 ATOM 194 NH2 ARG 25 12.339 37.137 39.382 1.00 0.00 ATOM 195 O ARG 25 18.696 35.502 39.917 1.00 0.00 ATOM 196 C ARG 25 18.852 34.721 38.978 1.00 0.00 ATOM 197 N ARG 26 19.472 33.544 39.080 1.00 0.00 ATOM 198 CA ARG 26 20.217 33.085 40.281 1.00 0.00 ATOM 199 CB ARG 26 19.298 32.473 41.329 1.00 0.00 ATOM 200 CG ARG 26 18.598 31.195 40.897 1.00 0.00 ATOM 201 CD ARG 26 17.707 30.605 41.930 1.00 0.00 ATOM 202 NE ARG 26 17.015 29.398 41.511 1.00 0.00 ATOM 203 CZ ARG 26 17.513 28.152 41.624 1.00 0.00 ATOM 204 NH1 ARG 26 18.718 27.945 42.106 1.00 0.00 ATOM 205 NH2 ARG 26 16.766 27.141 41.214 1.00 0.00 ATOM 206 O ARG 26 21.341 31.545 38.802 1.00 0.00 ATOM 207 C ARG 26 21.356 32.116 39.895 1.00 0.00 ATOM 208 N GLU 27 22.260 31.874 40.856 1.00 0.00 ATOM 209 CA GLU 27 23.394 30.945 40.658 1.00 0.00 ATOM 210 CB GLU 27 24.303 30.940 41.890 1.00 0.00 ATOM 211 CG GLU 27 23.626 30.464 43.168 1.00 0.00 ATOM 212 CD GLU 27 22.890 31.586 43.845 1.00 0.00 ATOM 213 OE1 GLU 27 22.899 32.676 43.326 1.00 0.00 ATOM 214 OE2 GLU 27 22.226 31.329 44.822 1.00 0.00 ATOM 215 O GLU 27 21.944 29.019 40.946 1.00 0.00 ATOM 216 C GLU 27 22.916 29.530 40.362 1.00 0.00 ATOM 217 N VAL 28 23.601 28.918 39.406 1.00 0.00 ATOM 218 CA VAL 28 23.260 27.551 39.012 1.00 0.00 ATOM 219 CB VAL 28 22.763 27.490 37.556 1.00 0.00 ATOM 220 CG1 VAL 28 23.819 28.038 36.609 1.00 0.00 ATOM 221 CG2 VAL 28 22.399 26.062 37.177 1.00 0.00 ATOM 222 O VAL 28 25.561 26.866 38.751 1.00 0.00 ATOM 223 C VAL 28 24.434 26.591 39.159 1.00 0.00 ATOM 224 N ARG 29 24.148 25.486 39.843 1.00 0.00 ATOM 225 CA ARG 29 25.165 24.447 40.078 1.00 0.00 ATOM 226 CB ARG 29 25.220 24.018 41.537 1.00 0.00 ATOM 227 CG ARG 29 25.750 25.074 42.494 1.00 0.00 ATOM 228 CD ARG 29 25.753 24.661 43.921 1.00 0.00 ATOM 229 NE ARG 29 26.199 25.691 44.846 1.00 0.00 ATOM 230 CZ ARG 29 27.488 25.954 45.133 1.00 0.00 ATOM 231 NH1 ARG 29 28.460 25.245 44.604 1.00 0.00 ATOM 232 NH2 ARG 29 27.752 26.932 45.984 1.00 0.00 ATOM 233 O ARG 29 23.874 22.739 38.999 1.00 0.00 ATOM 234 C ARG 29 24.973 23.245 39.162 1.00 0.00 ATOM 235 N ILE 30 26.113 22.642 38.910 1.00 0.00 ATOM 236 CA ILE 30 26.150 21.274 38.395 1.00 0.00 ATOM 237 CB ILE 30 27.003 21.174 37.117 1.00 0.00 ATOM 238 CG1 ILE 30 26.421 22.063 36.015 1.00 0.00 ATOM 239 CG2 ILE 30 27.093 19.731 36.648 1.00 0.00 ATOM 240 CD1 ILE 30 27.311 22.194 34.801 1.00 0.00 ATOM 241 O ILE 30 27.831 20.625 39.983 1.00 0.00 ATOM 242 C ILE 30 26.711 20.398 39.515 1.00 0.00 ATOM 243 N GLN 31 25.906 19.418 39.881 1.00 0.00 ATOM 244 CA GLN 31 26.295 18.423 40.887 1.00 0.00 ATOM 245 CB GLN 31 25.232 18.327 41.985 1.00 0.00 ATOM 246 CG GLN 31 25.044 19.607 42.782 1.00 0.00 ATOM 247 CD GLN 31 26.280 19.978 43.581 1.00 0.00 ATOM 248 OE1 GLN 31 26.921 19.120 44.194 1.00 0.00 ATOM 249 NE2 GLN 31 26.619 21.262 43.580 1.00 0.00 ATOM 250 O GLN 31 25.588 16.544 39.581 1.00 0.00 ATOM 251 C GLN 31 26.492 17.081 40.209 1.00 0.00 ATOM 252 N ASN 32 27.727 16.619 40.321 1.00 0.00 ATOM 253 CA ASN 32 28.048 15.285 39.805 1.00 0.00 ATOM 254 CB ASN 32 29.482 15.209 39.314 1.00 0.00 ATOM 255 CG ASN 32 30.503 15.466 40.388 1.00 0.00 ATOM 256 ND2 ASN 32 31.752 15.354 40.018 1.00 0.00 ATOM 257 OD1 ASN 32 30.165 15.834 41.519 1.00 0.00 ATOM 258 O ASN 32 28.678 13.704 41.516 1.00 0.00 ATOM 259 C ASN 32 27.767 14.265 40.915 1.00 0.00 ATOM 260 N GLU 33 26.481 14.055 41.091 1.00 0.00 ATOM 261 CA GLU 33 25.937 13.207 42.165 1.00 0.00 ATOM 262 CB GLU 33 24.426 13.089 41.992 1.00 0.00 ATOM 263 CG GLU 33 23.712 14.396 42.304 1.00 0.00 ATOM 264 CD GLU 33 23.996 14.888 43.722 1.00 0.00 ATOM 265 OE1 GLU 33 24.009 14.013 44.566 1.00 0.00 ATOM 266 OE2 GLU 33 24.372 16.068 43.964 1.00 0.00 ATOM 267 O GLU 33 26.607 11.125 43.197 1.00 0.00 ATOM 268 C GLU 33 26.539 11.795 42.181 1.00 0.00 ATOM 269 N ASP 34 26.872 11.311 40.993 1.00 0.00 ATOM 270 CA ASP 34 27.439 9.961 40.805 1.00 0.00 ATOM 271 CB ASP 34 26.737 9.240 39.652 1.00 0.00 ATOM 272 CG ASP 34 26.886 9.923 38.300 1.00 0.00 ATOM 273 OD1 ASP 34 27.483 10.973 38.248 1.00 0.00 ATOM 274 OD2 ASP 34 26.542 9.321 37.311 1.00 0.00 ATOM 275 O ASP 34 29.474 8.824 40.260 1.00 0.00 ATOM 276 C ASP 34 28.949 9.911 40.537 1.00 0.00 ATOM 277 N GLY 35 29.626 11.037 40.746 1.00 0.00 ATOM 278 CA GLY 35 31.075 11.180 40.530 1.00 0.00 ATOM 279 O GLY 35 32.673 11.656 38.826 1.00 0.00 ATOM 280 C GLY 35 31.472 11.450 39.060 1.00 0.00 ATOM 281 N SER 36 30.533 11.571 38.155 1.00 0.00 ATOM 282 CA SER 36 30.896 11.796 36.718 1.00 0.00 ATOM 283 CB SER 36 31.117 10.468 36.021 1.00 0.00 ATOM 284 OG SER 36 31.436 10.632 34.666 1.00 0.00 ATOM 285 O SER 36 29.157 12.195 34.988 1.00 0.00 ATOM 286 C SER 36 30.195 12.511 35.609 1.00 0.00 ATOM 287 N VAL 37 30.898 13.516 35.303 1.00 0.00 ATOM 288 CA VAL 37 31.335 14.117 34.031 1.00 0.00 ATOM 289 CB VAL 37 30.935 15.608 33.948 1.00 0.00 ATOM 290 CG1 VAL 37 29.427 15.780 33.818 1.00 0.00 ATOM 291 CG2 VAL 37 31.412 16.375 35.180 1.00 0.00 ATOM 292 O VAL 37 33.325 13.814 35.353 1.00 0.00 ATOM 293 C VAL 37 32.852 13.971 34.199 1.00 0.00 ATOM 294 N SER 38 33.639 14.008 33.157 1.00 0.00 ATOM 295 CA SER 38 35.099 13.867 33.342 1.00 0.00 ATOM 296 CB SER 38 35.908 14.019 32.062 1.00 0.00 ATOM 297 OG SER 38 35.911 15.388 31.668 1.00 0.00 ATOM 298 O SER 38 34.963 16.004 34.478 1.00 0.00 ATOM 299 C SER 38 35.565 14.942 34.328 1.00 0.00 ATOM 300 N ASP 39 36.631 14.599 35.027 1.00 0.00 ATOM 301 CA ASP 39 37.199 15.561 35.976 1.00 0.00 ATOM 302 CB ASP 39 38.433 14.971 36.664 1.00 0.00 ATOM 303 CG ASP 39 38.123 13.888 37.689 1.00 0.00 ATOM 304 OD1 ASP 39 36.978 13.740 38.041 1.00 0.00 ATOM 305 OD2 ASP 39 39.003 13.117 37.991 1.00 0.00 ATOM 306 O ASP 39 36.994 17.839 35.755 1.00 0.00 ATOM 307 C ASP 39 37.564 16.866 35.307 1.00 0.00 ATOM 308 N GLU 40 38.101 16.821 34.097 1.00 0.00 ATOM 309 CA GLU 40 38.537 18.032 33.370 1.00 0.00 ATOM 310 CB GLU 40 39.138 17.656 32.014 1.00 0.00 ATOM 311 CG GLU 40 39.658 18.836 31.206 1.00 0.00 ATOM 312 CD GLU 40 40.262 18.386 29.905 1.00 0.00 ATOM 313 OE1 GLU 40 40.286 17.204 29.662 1.00 0.00 ATOM 314 OE2 GLU 40 40.598 19.227 29.106 1.00 0.00 ATOM 315 O GLU 40 37.518 20.218 33.480 1.00 0.00 ATOM 316 C GLU 40 37.384 19.033 33.163 1.00 0.00 ATOM 317 N ILE 41 36.269 18.515 32.649 1.00 0.00 ATOM 318 CA ILE 41 35.075 19.350 32.403 1.00 0.00 ATOM 319 CB ILE 41 34.940 19.794 30.942 1.00 0.00 ATOM 320 CG1 ILE 41 34.997 18.627 29.953 1.00 0.00 ATOM 321 CG2 ILE 41 36.092 20.745 30.653 1.00 0.00 ATOM 322 CD1 ILE 41 34.615 18.978 28.515 1.00 0.00 ATOM 323 O ILE 41 33.560 17.504 32.860 1.00 0.00 ATOM 324 C ILE 41 33.774 18.709 32.876 1.00 0.00 ATOM 325 N LYS 42 32.905 19.607 33.304 1.00 0.00 ATOM 326 CA LYS 42 31.511 19.256 33.574 1.00 0.00 ATOM 327 CB LYS 42 30.978 20.054 34.766 1.00 0.00 ATOM 328 CG LYS 42 31.753 19.843 36.060 1.00 0.00 ATOM 329 CD LYS 42 31.023 20.453 37.248 1.00 0.00 ATOM 330 CE LYS 42 31.804 20.256 38.539 1.00 0.00 ATOM 331 NZ LYS 42 31.113 20.869 39.706 1.00 0.00 ATOM 332 O LYS 42 30.738 20.618 31.770 1.00 0.00 ATOM 333 C LYS 42 30.700 19.518 32.317 1.00 0.00 ATOM 334 N GLU 43 29.959 18.500 31.925 1.00 0.00 ATOM 335 CA GLU 43 29.188 18.529 30.676 1.00 0.00 ATOM 336 CB GLU 43 29.778 17.548 29.660 1.00 0.00 ATOM 337 CG GLU 43 31.168 17.919 29.163 1.00 0.00 ATOM 338 CD GLU 43 31.686 16.902 28.184 1.00 0.00 ATOM 339 OE1 GLU 43 31.808 15.759 28.551 1.00 0.00 ATOM 340 OE2 GLU 43 31.855 17.244 27.036 1.00 0.00 ATOM 341 O GLU 43 27.497 17.213 31.685 1.00 0.00 ATOM 342 C GLU 43 27.741 18.198 30.993 1.00 0.00 ATOM 343 N ARG 44 26.887 19.163 30.673 1.00 0.00 ATOM 344 CA ARG 44 25.446 19.012 30.909 1.00 0.00 ATOM 345 CB ARG 44 24.946 19.930 32.013 1.00 0.00 ATOM 346 CG ARG 44 25.305 19.490 33.423 1.00 0.00 ATOM 347 CD ARG 44 24.653 18.227 33.856 1.00 0.00 ATOM 348 NE ARG 44 24.948 17.835 35.225 1.00 0.00 ATOM 349 CZ ARG 44 26.021 17.111 35.600 1.00 0.00 ATOM 350 NH1 ARG 44 26.882 16.666 34.711 1.00 0.00 ATOM 351 NH2 ARG 44 26.173 16.839 36.884 1.00 0.00 ATOM 352 O ARG 44 24.872 20.215 28.934 1.00 0.00 ATOM 353 C ARG 44 24.691 19.212 29.597 1.00 0.00 ATOM 354 N THR 45 23.949 18.184 29.206 1.00 0.00 ATOM 355 CA THR 45 23.207 18.177 27.936 1.00 0.00 ATOM 356 CB THR 45 22.690 16.769 27.591 1.00 0.00 ATOM 357 CG2 THR 45 21.917 16.790 26.282 1.00 0.00 ATOM 358 OG1 THR 45 23.798 15.865 27.473 1.00 0.00 ATOM 359 O THR 45 21.352 19.191 29.070 1.00 0.00 ATOM 360 C THR 45 22.046 19.168 28.061 1.00 0.00 ATOM 361 N TYR 46 21.810 19.857 26.969 1.00 0.00 ATOM 362 CA TYR 46 20.687 20.790 26.868 1.00 0.00 ATOM 363 CB TYR 46 21.125 22.240 27.045 1.00 0.00 ATOM 364 CG TYR 46 21.492 22.548 28.478 1.00 0.00 ATOM 365 CD1 TYR 46 22.755 22.226 28.930 1.00 0.00 ATOM 366 CD2 TYR 46 20.580 23.165 29.311 1.00 0.00 ATOM 367 CE1 TYR 46 23.102 22.477 30.244 1.00 0.00 ATOM 368 CE2 TYR 46 20.958 23.471 30.603 1.00 0.00 ATOM 369 CZ TYR 46 22.210 23.124 31.086 1.00 0.00 ATOM 370 OH TYR 46 22.571 23.388 32.358 1.00 0.00 ATOM 371 O TYR 46 20.719 20.279 24.516 1.00 0.00 ATOM 372 C TYR 46 20.081 20.697 25.484 1.00 0.00 ATOM 373 N ASP 47 18.856 21.202 25.452 1.00 0.00 ATOM 374 CA ASP 47 18.152 21.437 24.190 1.00 0.00 ATOM 375 CB ASP 47 16.814 20.693 24.175 1.00 0.00 ATOM 376 CG ASP 47 16.027 20.840 22.880 1.00 0.00 ATOM 377 OD1 ASP 47 16.456 21.581 22.027 1.00 0.00 ATOM 378 OD2 ASP 47 15.095 20.096 22.688 1.00 0.00 ATOM 379 O ASP 47 17.310 23.602 24.832 1.00 0.00 ATOM 380 C ASP 47 17.951 22.951 24.004 1.00 0.00 ATOM 381 N LEU 48 18.822 23.532 23.170 1.00 0.00 ATOM 382 CA LEU 48 18.834 24.997 22.884 1.00 0.00 ATOM 383 CB LEU 48 20.043 25.380 22.016 1.00 0.00 ATOM 384 CG LEU 48 20.397 26.873 21.848 1.00 0.00 ATOM 385 CD1 LEU 48 20.642 27.597 23.167 1.00 0.00 ATOM 386 CD2 LEU 48 21.644 26.989 20.971 1.00 0.00 ATOM 387 O LEU 48 17.185 24.780 21.138 1.00 0.00 ATOM 388 C LEU 48 17.546 25.379 22.155 1.00 0.00 ATOM 389 N LYS 49 16.924 26.451 22.630 1.00 0.00 ATOM 390 CA LYS 49 15.668 26.932 22.031 1.00 0.00 ATOM 391 CB LYS 49 14.590 27.091 23.105 1.00 0.00 ATOM 392 CG LYS 49 14.230 25.801 23.830 1.00 0.00 ATOM 393 CD LYS 49 13.566 24.805 22.890 1.00 0.00 ATOM 394 CE LYS 49 13.136 23.547 23.631 1.00 0.00 ATOM 395 NZ LYS 49 12.479 22.565 22.726 1.00 0.00 ATOM 396 O LYS 49 16.065 29.329 21.888 1.00 0.00 ATOM 397 C LYS 49 15.892 28.266 21.295 1.00 0.00 ATOM 398 N SER 50 15.905 28.135 19.975 1.00 0.00 ATOM 399 CA SER 50 16.076 29.296 19.084 1.00 0.00 ATOM 400 CB SER 50 17.434 29.199 18.380 1.00 0.00 ATOM 401 OG SER 50 17.515 30.281 17.465 1.00 0.00 ATOM 402 O SER 50 14.710 28.343 17.342 1.00 0.00 ATOM 403 C SER 50 14.911 29.297 18.093 1.00 0.00 ATOM 404 N LYS 51 14.036 30.282 18.232 1.00 0.00 ATOM 405 CA LYS 51 12.731 30.304 17.523 1.00 0.00 ATOM 406 CB LYS 51 12.886 30.406 15.992 1.00 0.00 ATOM 407 CG LYS 51 13.612 31.633 15.488 1.00 0.00 ATOM 408 CD LYS 51 13.673 31.590 13.966 1.00 0.00 ATOM 409 CE LYS 51 14.374 32.848 13.449 1.00 0.00 ATOM 410 NZ LYS 51 14.569 32.797 11.996 1.00 0.00 ATOM 411 O LYS 51 11.802 28.782 19.143 1.00 0.00 ATOM 412 C LYS 51 11.910 29.060 17.951 1.00 0.00 ATOM 413 N GLY 52 11.566 28.232 16.964 1.00 0.00 ATOM 414 CA GLY 52 10.884 26.948 17.182 1.00 0.00 ATOM 415 O GLY 52 11.342 24.628 16.898 1.00 0.00 ATOM 416 C GLY 52 11.809 25.740 17.068 1.00 0.00 ATOM 417 N GLN 53 13.110 25.993 17.048 1.00 0.00 ATOM 418 CA GLN 53 14.105 24.922 16.926 1.00 0.00 ATOM 419 CB GLN 53 15.273 25.373 16.046 1.00 0.00 ATOM 420 CG GLN 53 14.883 25.707 14.616 1.00 0.00 ATOM 421 CD GLN 53 14.353 24.502 13.865 1.00 0.00 ATOM 422 OE1 GLN 53 14.987 23.444 13.834 1.00 0.00 ATOM 423 NE2 GLN 53 13.187 24.655 13.247 1.00 0.00 ATOM 424 O GLN 53 14.914 25.381 19.132 1.00 0.00 ATOM 425 C GLN 53 14.611 24.514 18.310 1.00 0.00 ATOM 426 N GLY 54 14.693 23.200 18.496 1.00 0.00 ATOM 427 CA GLY 54 15.335 22.570 19.669 1.00 0.00 ATOM 428 O GLY 54 16.569 21.028 18.348 1.00 0.00 ATOM 429 C GLY 54 16.626 21.896 19.216 1.00 0.00 ATOM 430 N ARG 55 17.739 22.585 19.450 1.00 0.00 ATOM 431 CA ARG 55 19.059 22.103 19.004 1.00 0.00 ATOM 432 CB ARG 55 19.876 23.201 18.341 1.00 0.00 ATOM 433 CG ARG 55 21.271 22.784 17.902 1.00 0.00 ATOM 434 CD ARG 55 21.996 23.809 17.107 1.00 0.00 ATOM 435 NE ARG 55 21.398 24.105 15.815 1.00 0.00 ATOM 436 CZ ARG 55 21.723 25.162 15.045 1.00 0.00 ATOM 437 NH1 ARG 55 22.609 26.046 15.448 1.00 0.00 ATOM 438 NH2 ARG 55 21.109 25.300 13.884 1.00 0.00 ATOM 439 O ARG 55 20.062 22.052 21.197 1.00 0.00 ATOM 440 C ARG 55 19.830 21.451 20.149 1.00 0.00 ATOM 441 N MET 56 20.363 20.261 19.869 1.00 0.00 ATOM 442 CA MET 56 21.144 19.526 20.872 1.00 0.00 ATOM 443 CB MET 56 21.398 18.096 20.399 1.00 0.00 ATOM 444 CG MET 56 20.143 17.245 20.265 1.00 0.00 ATOM 445 SD MET 56 19.228 17.106 21.815 1.00 0.00 ATOM 446 CE MET 56 20.358 16.111 22.785 1.00 0.00 ATOM 447 O MET 56 23.179 20.589 20.204 1.00 0.00 ATOM 448 C MET 56 22.457 20.258 21.137 1.00 0.00 ATOM 449 N ILE 57 22.732 20.416 22.420 1.00 0.00 ATOM 450 CA ILE 57 23.910 21.176 22.884 1.00 0.00 ATOM 451 CB ILE 57 23.617 22.686 22.952 1.00 0.00 ATOM 452 CG1 ILE 57 22.569 22.978 24.028 1.00 0.00 ATOM 453 CG2 ILE 57 23.153 23.199 21.597 1.00 0.00 ATOM 454 CD1 ILE 57 22.523 24.427 24.458 1.00 0.00 ATOM 455 O ILE 57 23.677 19.821 24.877 1.00 0.00 ATOM 456 C ILE 57 24.346 20.661 24.270 1.00 0.00 ATOM 457 N GLN 58 25.268 21.424 24.850 1.00 0.00 ATOM 458 CA GLN 58 25.730 21.201 26.233 1.00 0.00 ATOM 459 CB GLN 58 26.735 20.047 26.282 1.00 0.00 ATOM 460 CG GLN 58 27.906 20.199 25.327 1.00 0.00 ATOM 461 CD GLN 58 28.844 19.008 25.367 1.00 0.00 ATOM 462 OE1 GLN 58 28.577 17.969 24.755 1.00 0.00 ATOM 463 NE2 GLN 58 29.948 19.149 26.091 1.00 0.00 ATOM 464 O GLN 58 27.046 23.220 26.170 1.00 0.00 ATOM 465 C GLN 58 26.380 22.453 26.857 1.00 0.00 ATOM 466 N VAL 59 26.227 22.561 28.170 1.00 0.00 ATOM 467 CA VAL 59 26.951 23.577 28.943 1.00 0.00 ATOM 468 CB VAL 59 26.161 24.124 30.162 1.00 0.00 ATOM 469 CG1 VAL 59 26.960 25.126 31.001 1.00 0.00 ATOM 470 CG2 VAL 59 24.928 24.878 29.699 1.00 0.00 ATOM 471 O VAL 59 28.150 21.701 29.808 1.00 0.00 ATOM 472 C VAL 59 28.209 22.875 29.421 1.00 0.00 ATOM 473 N SER 60 29.310 23.601 29.298 1.00 0.00 ATOM 474 CA SER 60 30.602 23.088 29.770 1.00 0.00 ATOM 475 CB SER 60 31.522 22.829 28.593 1.00 0.00 ATOM 476 OG SER 60 32.781 22.367 29.000 1.00 0.00 ATOM 477 O SER 60 31.243 25.283 30.531 1.00 0.00 ATOM 478 C SER 60 31.228 24.070 30.742 1.00 0.00 ATOM 479 N ILE 61 31.624 23.509 31.873 1.00 0.00 ATOM 480 CA ILE 61 32.328 24.292 32.899 1.00 0.00 ATOM 481 CB ILE 61 31.440 24.534 34.133 1.00 0.00 ATOM 482 CG1 ILE 61 30.123 25.199 33.721 1.00 0.00 ATOM 483 CG2 ILE 61 32.173 25.387 35.157 1.00 0.00 ATOM 484 CD1 ILE 61 29.208 25.512 34.883 1.00 0.00 ATOM 485 O ILE 61 33.586 22.288 33.277 1.00 0.00 ATOM 486 C ILE 61 33.601 23.535 33.286 1.00 0.00 ATOM 487 N PRO 62 34.678 24.225 33.652 1.00 0.00 ATOM 488 CA PRO 62 35.898 23.566 34.132 1.00 0.00 ATOM 489 CB PRO 62 36.856 24.683 34.528 1.00 0.00 ATOM 490 CG PRO 62 36.403 25.843 33.646 1.00 0.00 ATOM 491 CD PRO 62 34.885 25.681 33.584 1.00 0.00 ATOM 492 O PRO 62 34.685 23.149 36.177 1.00 0.00 ATOM 493 C PRO 62 35.535 22.764 35.381 1.00 0.00 ATOM 494 N ALA 63 36.216 21.634 35.481 1.00 0.00 ATOM 495 CA ALA 63 36.254 20.711 36.621 1.00 0.00 ATOM 496 CB ALA 63 37.716 20.285 36.659 1.00 0.00 ATOM 497 O ALA 63 35.035 21.030 38.702 1.00 0.00 ATOM 498 C ALA 63 35.957 21.360 37.974 1.00 0.00 ATOM 499 N SER 64 36.827 22.336 38.206 1.00 0.00 ATOM 500 CA SER 64 37.095 23.045 39.437 1.00 0.00 ATOM 501 CB SER 64 38.093 22.273 40.277 1.00 0.00 ATOM 502 OG SER 64 38.410 22.942 41.467 1.00 0.00 ATOM 503 O SER 64 38.292 24.594 38.039 1.00 0.00 ATOM 504 C SER 64 37.590 24.404 39.045 1.00 0.00 ATOM 505 N VAL 65 37.157 25.318 39.883 1.00 0.00 ATOM 506 CA VAL 65 37.483 26.710 39.639 1.00 0.00 ATOM 507 CB VAL 65 36.289 27.511 39.105 1.00 0.00 ATOM 508 CG1 VAL 65 36.924 28.668 38.364 1.00 0.00 ATOM 509 CG2 VAL 65 35.445 26.784 38.053 1.00 0.00 ATOM 510 O VAL 65 37.559 27.600 41.856 1.00 0.00 ATOM 511 C VAL 65 38.194 27.346 40.836 1.00 0.00 ATOM 512 N PRO 66 39.499 27.648 40.673 1.00 0.00 ATOM 513 CA PRO 66 40.343 28.223 41.722 1.00 0.00 ATOM 514 CB PRO 66 41.695 28.485 41.044 1.00 0.00 ATOM 515 CG PRO 66 41.757 27.451 39.935 1.00 0.00 ATOM 516 CD PRO 66 40.302 27.328 39.487 1.00 0.00 ATOM 517 O PRO 66 40.243 29.914 43.400 1.00 0.00 ATOM 518 C PRO 66 39.833 29.549 42.311 1.00 0.00 ATOM 519 N LEU 67 39.236 30.390 41.473 1.00 0.00 ATOM 520 CA LEU 67 38.739 31.689 41.958 1.00 0.00 ATOM 521 CB LEU 67 38.521 32.671 40.799 1.00 0.00 ATOM 522 CG LEU 67 38.033 34.057 41.258 1.00 0.00 ATOM 523 CD1 LEU 67 39.110 34.818 42.020 1.00 0.00 ATOM 524 CD2 LEU 67 37.652 34.933 40.070 1.00 0.00 ATOM 525 O LEU 67 36.470 30.940 42.198 1.00 0.00 ATOM 526 C LEU 67 37.442 31.471 42.737 1.00 0.00 ATOM 527 N LYS 68 37.398 32.058 43.914 1.00 0.00 ATOM 528 CA LYS 68 36.196 32.017 44.770 1.00 0.00 ATOM 529 CB LYS 68 36.456 32.738 46.094 1.00 0.00 ATOM 530 CG LYS 68 35.284 32.711 47.066 1.00 0.00 ATOM 531 CD LYS 68 35.644 33.379 48.385 1.00 0.00 ATOM 532 CE LYS 68 34.464 33.380 49.346 1.00 0.00 ATOM 533 NZ LYS 68 34.797 34.044 50.635 1.00 0.00 ATOM 534 O LYS 68 33.885 32.078 44.122 1.00 0.00 ATOM 535 C LYS 68 34.980 32.633 44.079 1.00 0.00 ATOM 536 N GLU 69 35.195 33.741 43.386 1.00 0.00 ATOM 537 CA GLU 69 34.106 34.377 42.605 1.00 0.00 ATOM 538 CB GLU 69 34.580 35.703 42.006 1.00 0.00 ATOM 539 CG GLU 69 34.802 36.810 43.026 1.00 0.00 ATOM 540 CD GLU 69 35.345 38.052 42.375 1.00 0.00 ATOM 541 OE1 GLU 69 35.600 38.018 41.195 1.00 0.00 ATOM 542 OE2 GLU 69 35.401 39.066 43.030 1.00 0.00 ATOM 543 O GLU 69 32.504 33.691 40.927 1.00 0.00 ATOM 544 C GLU 69 33.575 33.478 41.484 1.00 0.00 ATOM 545 N PHE 70 34.328 32.434 41.178 1.00 0.00 ATOM 546 CA PHE 70 33.947 31.441 40.162 1.00 0.00 ATOM 547 CB PHE 70 35.101 31.206 39.185 1.00 0.00 ATOM 548 CG PHE 70 35.478 32.424 38.389 1.00 0.00 ATOM 549 CD1 PHE 70 34.547 33.421 38.136 1.00 0.00 ATOM 550 CD2 PHE 70 36.764 32.575 37.892 1.00 0.00 ATOM 551 CE1 PHE 70 34.892 34.541 37.404 1.00 0.00 ATOM 552 CE2 PHE 70 37.112 33.695 37.161 1.00 0.00 ATOM 553 CZ PHE 70 36.175 34.678 36.917 1.00 0.00 ATOM 554 O PHE 70 33.340 29.146 39.959 1.00 0.00 ATOM 555 C PHE 70 33.518 30.094 40.733 1.00 0.00 ATOM 556 N ASP 71 33.200 30.076 42.020 1.00 0.00 ATOM 557 CA ASP 71 32.530 28.911 42.623 1.00 0.00 ATOM 558 CB ASP 71 32.367 29.107 44.132 1.00 0.00 ATOM 559 CG ASP 71 33.661 28.981 44.926 1.00 0.00 ATOM 560 OD1 ASP 71 34.633 28.526 44.372 1.00 0.00 ATOM 561 OD2 ASP 71 33.711 29.481 46.023 1.00 0.00 ATOM 562 O ASP 71 30.722 27.574 41.712 1.00 0.00 ATOM 563 C ASP 71 31.162 28.697 41.940 1.00 0.00 ATOM 564 N TYR 72 30.623 29.809 41.445 1.00 0.00 ATOM 565 CA TYR 72 29.566 29.879 40.425 1.00 0.00 ATOM 566 CB TYR 72 28.187 29.727 41.072 1.00 0.00 ATOM 567 CG TYR 72 27.847 30.826 42.055 1.00 0.00 ATOM 568 CD1 TYR 72 27.190 31.974 41.640 1.00 0.00 ATOM 569 CD2 TYR 72 28.182 30.708 43.396 1.00 0.00 ATOM 570 CE1 TYR 72 26.878 32.980 42.534 1.00 0.00 ATOM 571 CE2 TYR 72 27.874 31.708 44.298 1.00 0.00 ATOM 572 CZ TYR 72 27.221 32.843 43.863 1.00 0.00 ATOM 573 OH TYR 72 26.911 33.841 44.758 1.00 0.00 ATOM 574 O TYR 72 30.280 32.181 40.247 1.00 0.00 ATOM 575 C TYR 72 29.722 31.210 39.711 1.00 0.00 ATOM 576 N ASN 73 29.378 31.179 38.435 1.00 0.00 ATOM 577 CA ASN 73 29.480 32.399 37.639 1.00 0.00 ATOM 578 CB ASN 73 30.805 32.472 36.902 1.00 0.00 ATOM 579 CG ASN 73 31.042 33.788 36.215 1.00 0.00 ATOM 580 ND2 ASN 73 31.757 33.731 35.119 1.00 0.00 ATOM 581 OD1 ASN 73 30.525 34.832 36.630 1.00 0.00 ATOM 582 O ASN 73 27.881 31.617 35.993 1.00 0.00 ATOM 583 C ASN 73 28.347 32.549 36.648 1.00 0.00 ATOM 584 N ALA 74 27.927 33.789 36.572 1.00 0.00 ATOM 585 CA ALA 74 26.799 34.198 35.749 1.00 0.00 ATOM 586 CB ALA 74 26.593 35.639 36.149 1.00 0.00 ATOM 587 O ALA 74 26.148 34.034 33.417 1.00 0.00 ATOM 588 C ALA 74 27.047 33.994 34.242 1.00 0.00 ATOM 589 N ARG 75 28.315 33.865 33.892 1.00 0.00 ATOM 590 CA ARG 75 28.652 33.504 32.517 1.00 0.00 ATOM 591 CB ARG 75 29.946 34.155 32.053 1.00 0.00 ATOM 592 CG ARG 75 29.903 35.672 31.965 1.00 0.00 ATOM 593 CD ARG 75 31.196 36.301 31.593 1.00 0.00 ATOM 594 NE ARG 75 31.164 37.753 31.532 1.00 0.00 ATOM 595 CZ ARG 75 32.243 38.534 31.330 1.00 0.00 ATOM 596 NH1 ARG 75 33.444 38.013 31.210 1.00 0.00 ATOM 597 NH2 ARG 75 32.066 39.844 31.283 1.00 0.00 ATOM 598 O ARG 75 29.061 31.305 33.345 1.00 0.00 ATOM 599 C ARG 75 28.680 31.974 32.397 1.00 0.00 ATOM 600 N VAL 76 27.963 31.510 31.395 1.00 0.00 ATOM 601 CA VAL 76 27.949 30.070 31.049 1.00 0.00 ATOM 602 CB VAL 76 26.552 29.425 31.188 1.00 0.00 ATOM 603 CG1 VAL 76 26.092 29.449 32.631 1.00 0.00 ATOM 604 CG2 VAL 76 25.480 30.110 30.336 1.00 0.00 ATOM 605 O VAL 76 28.212 30.686 28.748 1.00 0.00 ATOM 606 C VAL 76 28.502 29.892 29.633 1.00 0.00 ATOM 607 N GLU 77 29.205 28.778 29.450 1.00 0.00 ATOM 608 CA GLU 77 29.761 28.423 28.134 1.00 0.00 ATOM 609 CB GLU 77 31.245 28.069 28.257 1.00 0.00 ATOM 610 CG GLU 77 32.140 29.238 28.644 1.00 0.00 ATOM 611 CD GLU 77 33.584 28.823 28.704 1.00 0.00 ATOM 612 OE1 GLU 77 33.867 27.684 28.421 1.00 0.00 ATOM 613 OE2 GLU 77 34.416 29.671 28.922 1.00 0.00 ATOM 614 O GLU 77 28.741 26.245 28.203 1.00 0.00 ATOM 615 C GLU 77 28.973 27.266 27.545 1.00 0.00 ATOM 616 N LEU 78 28.443 27.513 26.363 1.00 0.00 ATOM 617 CA LEU 78 27.641 26.495 25.685 1.00 0.00 ATOM 618 CB LEU 78 26.235 27.035 25.394 1.00 0.00 ATOM 619 CG LEU 78 25.261 26.991 26.578 1.00 0.00 ATOM 620 CD1 LEU 78 25.761 27.891 27.700 1.00 0.00 ATOM 621 CD2 LEU 78 23.878 27.425 26.115 1.00 0.00 ATOM 622 O LEU 78 28.841 26.847 23.610 1.00 0.00 ATOM 623 C LEU 78 28.335 26.055 24.400 1.00 0.00 ATOM 624 N ILE 79 28.296 24.743 24.220 1.00 0.00 ATOM 625 CA ILE 79 28.892 24.112 23.040 1.00 0.00 ATOM 626 CB ILE 79 29.971 23.086 23.433 1.00 0.00 ATOM 627 CG1 ILE 79 31.122 23.777 24.169 1.00 0.00 ATOM 628 CG2 ILE 79 30.485 22.356 22.202 1.00 0.00 ATOM 629 CD1 ILE 79 32.103 22.818 24.806 1.00 0.00 ATOM 630 O ILE 79 26.779 22.949 22.814 1.00 0.00 ATOM 631 C ILE 79 27.763 23.453 22.258 1.00 0.00 ATOM 632 N ASN 80 27.969 23.465 20.949 1.00 0.00 ATOM 633 CA ASN 80 27.031 22.907 19.980 1.00 0.00 ATOM 634 CB ASN 80 25.922 23.890 19.652 1.00 0.00 ATOM 635 CG ASN 80 26.379 25.069 18.838 1.00 0.00 ATOM 636 ND2 ASN 80 25.429 25.851 18.394 1.00 0.00 ATOM 637 OD1 ASN 80 27.582 25.308 18.675 1.00 0.00 ATOM 638 O ASN 80 28.825 22.909 18.370 1.00 0.00 ATOM 639 C ASN 80 27.693 22.457 18.678 1.00 0.00 ATOM 640 N PRO 81 27.054 21.590 17.923 1.00 0.00 ATOM 641 CA PRO 81 27.645 21.016 16.717 1.00 0.00 ATOM 642 CB PRO 81 26.768 19.786 16.542 1.00 0.00 ATOM 643 CG PRO 81 25.363 20.250 16.909 1.00 0.00 ATOM 644 CD PRO 81 25.713 20.991 18.185 1.00 0.00 ATOM 645 O PRO 81 28.822 22.000 14.857 1.00 0.00 ATOM 646 C PRO 81 27.780 21.969 15.509 1.00 0.00 ATOM 647 N ILE 82 26.822 22.872 15.339 1.00 0.00 ATOM 648 CA ILE 82 26.875 23.914 14.285 1.00 0.00 ATOM 649 CB ILE 82 25.553 23.993 13.500 1.00 0.00 ATOM 650 CG1 ILE 82 25.285 22.674 12.770 1.00 0.00 ATOM 651 CG2 ILE 82 25.585 25.153 12.517 1.00 0.00 ATOM 652 CD1 ILE 82 23.899 22.576 12.173 1.00 0.00 ATOM 653 O ILE 82 26.876 25.451 16.123 1.00 0.00 ATOM 654 C ILE 82 27.189 25.254 14.954 1.00 0.00 ATOM 655 N ALA 83 27.919 26.127 14.256 1.00 0.00 ATOM 656 CA ALA 83 28.024 27.537 14.706 1.00 0.00 ATOM 657 CB ALA 83 28.933 28.468 13.923 1.00 0.00 ATOM 658 O ALA 83 26.081 28.531 13.681 1.00 0.00 ATOM 659 C ALA 83 26.657 28.220 14.724 1.00 0.00 ATOM 660 N ASP 84 26.176 28.384 15.947 1.00 0.00 ATOM 661 CA ASP 84 24.846 28.966 16.184 1.00 0.00 ATOM 662 CB ASP 84 24.502 28.929 17.675 1.00 0.00 ATOM 663 CG ASP 84 23.195 29.622 18.036 1.00 0.00 ATOM 664 OD1 ASP 84 22.168 29.196 17.562 1.00 0.00 ATOM 665 OD2 ASP 84 23.213 30.467 18.899 1.00 0.00 ATOM 666 O ASP 84 23.817 30.694 14.880 1.00 0.00 ATOM 667 C ASP 84 24.716 30.407 15.679 1.00 0.00 ATOM 668 N THR 85 25.795 31.181 15.865 1.00 0.00 ATOM 669 CA THR 85 25.845 32.573 15.377 1.00 0.00 ATOM 670 CB THR 85 27.184 33.248 15.729 1.00 0.00 ATOM 671 CG2 THR 85 27.300 34.596 15.037 1.00 0.00 ATOM 672 OG1 THR 85 27.269 33.434 17.149 1.00 0.00 ATOM 673 O THR 85 24.897 33.501 13.376 1.00 0.00 ATOM 674 C THR 85 25.640 32.660 13.871 1.00 0.00 ATOM 675 N VAL 86 26.256 31.734 13.157 1.00 0.00 ATOM 676 CA VAL 86 26.150 31.689 11.685 1.00 0.00 ATOM 677 CB VAL 86 27.178 30.718 11.075 1.00 0.00 ATOM 678 CG1 VAL 86 26.945 30.568 9.579 1.00 0.00 ATOM 679 CG2 VAL 86 28.594 31.202 11.346 1.00 0.00 ATOM 680 O VAL 86 24.051 31.994 10.529 1.00 0.00 ATOM 681 C VAL 86 24.741 31.272 11.250 1.00 0.00 ATOM 682 N ALA 87 24.336 30.103 11.731 1.00 0.00 ATOM 683 CA ALA 87 23.091 29.435 11.312 1.00 0.00 ATOM 684 CB ALA 87 22.972 28.132 12.094 1.00 0.00 ATOM 685 O ALA 87 21.116 30.625 10.628 1.00 0.00 ATOM 686 C ALA 87 21.859 30.306 11.555 1.00 0.00 ATOM 687 N THR 88 21.771 30.841 12.771 1.00 0.00 ATOM 688 CA THR 88 20.597 31.654 13.127 1.00 0.00 ATOM 689 CB THR 88 19.858 31.077 14.348 1.00 0.00 ATOM 690 CG2 THR 88 19.306 29.695 14.033 1.00 0.00 ATOM 691 OG1 THR 88 20.762 30.986 15.457 1.00 0.00 ATOM 692 O THR 88 20.050 33.834 13.980 1.00 0.00 ATOM 693 C THR 88 20.891 33.124 13.441 1.00 0.00 ATOM 694 N ALA 89 21.996 33.617 12.860 1.00 0.00 ATOM 695 CA ALA 89 22.380 35.047 12.887 1.00 0.00 ATOM 696 CB ALA 89 21.532 35.780 11.839 1.00 0.00 ATOM 697 O ALA 89 21.604 36.726 14.490 1.00 0.00 ATOM 698 C ALA 89 22.281 35.720 14.273 1.00 0.00 ATOM 699 N THR 90 22.866 35.085 15.261 1.00 0.00 ATOM 700 CA THR 90 22.818 35.630 16.625 1.00 0.00 ATOM 701 CB THR 90 22.949 34.519 17.682 1.00 0.00 ATOM 702 CG2 THR 90 21.917 33.428 17.441 1.00 0.00 ATOM 703 OG1 THR 90 24.264 33.949 17.621 1.00 0.00 ATOM 704 O THR 90 25.062 36.487 16.351 1.00 0.00 ATOM 705 C THR 90 23.944 36.665 16.812 1.00 0.00 ATOM 706 N TYR 91 23.573 37.774 17.426 1.00 0.00 ATOM 707 CA TYR 91 24.529 38.848 17.737 1.00 0.00 ATOM 708 CB TYR 91 24.139 40.138 17.012 1.00 0.00 ATOM 709 CG TYR 91 24.202 40.038 15.504 1.00 0.00 ATOM 710 CD1 TYR 91 23.088 39.662 14.769 1.00 0.00 ATOM 711 CD2 TYR 91 25.375 40.320 14.821 1.00 0.00 ATOM 712 CE1 TYR 91 23.138 39.567 13.392 1.00 0.00 ATOM 713 CE2 TYR 91 25.438 40.229 13.444 1.00 0.00 ATOM 714 CZ TYR 91 24.318 39.853 12.732 1.00 0.00 ATOM 715 OH TYR 91 24.375 39.762 11.361 1.00 0.00 ATOM 716 O TYR 91 23.645 38.642 19.962 1.00 0.00 ATOM 717 C TYR 91 24.562 39.046 19.250 1.00 0.00 ATOM 718 N GLN 92 25.613 39.692 19.713 1.00 0.00 ATOM 719 CA GLN 92 25.765 39.991 21.142 1.00 0.00 ATOM 720 CB GLN 92 27.071 40.743 21.340 1.00 0.00 ATOM 721 CG GLN 92 27.249 41.108 22.805 1.00 0.00 ATOM 722 CD GLN 92 28.529 41.883 23.013 1.00 0.00 ATOM 723 OE1 GLN 92 29.278 42.293 22.137 1.00 0.00 ATOM 724 NE2 GLN 92 28.765 42.130 24.260 1.00 0.00 ATOM 725 O GLN 92 24.361 41.941 21.148 1.00 0.00 ATOM 726 C GLN 92 24.583 40.849 21.653 1.00 0.00 ATOM 727 N GLY 93 23.974 40.327 22.710 1.00 0.00 ATOM 728 CA GLY 93 22.809 40.970 23.340 1.00 0.00 ATOM 729 O GLY 93 20.499 40.438 23.664 1.00 0.00 ATOM 730 C GLY 93 21.491 40.282 22.960 1.00 0.00 ATOM 731 N ALA 94 21.523 39.507 21.879 1.00 0.00 ATOM 732 CA ALA 94 20.400 38.628 21.515 1.00 0.00 ATOM 733 CB ALA 94 20.834 37.884 20.262 1.00 0.00 ATOM 734 O ALA 94 21.002 37.112 23.311 1.00 0.00 ATOM 735 C ALA 94 20.086 37.668 22.679 1.00 0.00 ATOM 736 N ASP 95 18.796 37.484 22.887 1.00 0.00 ATOM 737 CA ASP 95 18.250 36.668 23.970 1.00 0.00 ATOM 738 CB ASP 95 17.138 37.423 24.701 1.00 0.00 ATOM 739 CG ASP 95 16.558 36.684 25.900 1.00 0.00 ATOM 740 OD1 ASP 95 16.965 35.571 26.141 1.00 0.00 ATOM 741 OD2 ASP 95 15.834 37.290 26.653 1.00 0.00 ATOM 742 O ASP 95 17.007 35.319 22.406 1.00 0.00 ATOM 743 C ASP 95 17.739 35.355 23.396 1.00 0.00 ATOM 744 N VAL 96 18.285 34.284 23.962 1.00 0.00 ATOM 745 CA VAL 96 17.912 32.913 23.596 1.00 0.00 ATOM 746 CB VAL 96 19.057 32.152 22.912 1.00 0.00 ATOM 747 CG1 VAL 96 19.460 32.862 21.610 1.00 0.00 ATOM 748 CG2 VAL 96 20.264 31.957 23.838 1.00 0.00 ATOM 749 O VAL 96 17.614 32.629 25.942 1.00 0.00 ATOM 750 C VAL 96 17.391 32.159 24.828 1.00 0.00 ATOM 751 N ASP 97 16.809 30.987 24.622 1.00 0.00 ATOM 752 CA ASP 97 16.359 30.142 25.750 1.00 0.00 ATOM 753 CB ASP 97 14.845 29.926 25.688 1.00 0.00 ATOM 754 CG ASP 97 14.021 31.193 25.868 1.00 0.00 ATOM 755 OD1 ASP 97 14.264 31.908 26.811 1.00 0.00 ATOM 756 OD2 ASP 97 13.264 31.516 24.983 1.00 0.00 ATOM 757 O ASP 97 17.514 28.295 24.720 1.00 0.00 ATOM 758 C ASP 97 17.078 28.803 25.755 1.00 0.00 ATOM 759 N TRP 98 17.159 28.240 26.954 1.00 0.00 ATOM 760 CA TRP 98 17.472 26.798 27.051 1.00 0.00 ATOM 761 CB TRP 98 18.917 26.427 27.384 1.00 0.00 ATOM 762 CG TRP 98 19.546 27.258 28.497 1.00 0.00 ATOM 763 CD1 TRP 98 20.385 28.230 28.228 1.00 0.00 ATOM 764 CD2 TRP 98 19.640 27.014 29.864 1.00 0.00 ATOM 765 CE2 TRP 98 20.596 27.882 30.348 1.00 0.00 ATOM 766 CE3 TRP 98 18.991 26.174 30.743 1.00 0.00 ATOM 767 NE1 TRP 98 21.032 28.581 29.323 1.00 0.00 ATOM 768 CZ2 TRP 98 20.910 27.946 31.691 1.00 0.00 ATOM 769 CZ3 TRP 98 19.331 26.228 32.097 1.00 0.00 ATOM 770 CH2 TRP 98 20.283 27.104 32.570 1.00 0.00 ATOM 771 O TRP 98 15.812 26.503 28.787 1.00 0.00 ATOM 772 C TRP 98 16.517 26.003 27.909 1.00 0.00 ATOM 773 N TYR 99 16.530 24.725 27.574 1.00 0.00 ATOM 774 CA TYR 99 15.708 23.719 28.234 1.00 0.00 ATOM 775 CB TYR 99 14.878 23.002 27.185 1.00 0.00 ATOM 776 CG TYR 99 13.973 21.961 27.845 1.00 0.00 ATOM 777 CD1 TYR 99 12.803 22.358 28.462 1.00 0.00 ATOM 778 CD2 TYR 99 14.316 20.621 27.768 1.00 0.00 ATOM 779 CE1 TYR 99 11.945 21.405 28.987 1.00 0.00 ATOM 780 CE2 TYR 99 13.466 19.658 28.290 1.00 0.00 ATOM 781 CZ TYR 99 12.279 20.064 28.893 1.00 0.00 ATOM 782 OH TYR 99 11.407 19.169 29.395 1.00 0.00 ATOM 783 O TYR 99 17.540 22.143 28.452 1.00 0.00 ATOM 784 C TYR 99 16.621 22.767 28.994 1.00 0.00 ATOM 785 N ILE 100 16.347 22.727 30.285 1.00 0.00 ATOM 786 CA ILE 100 17.138 21.932 31.234 1.00 0.00 ATOM 787 CB ILE 100 17.968 22.830 32.169 1.00 0.00 ATOM 788 CG1 ILE 100 18.979 21.992 32.957 1.00 0.00 ATOM 789 CG2 ILE 100 17.057 23.598 33.115 1.00 0.00 ATOM 790 CD1 ILE 100 20.035 22.812 33.662 1.00 0.00 ATOM 791 O ILE 100 15.300 21.452 32.745 1.00 0.00 ATOM 792 C ILE 100 16.253 21.020 32.083 1.00 0.00 ATOM 793 N LYS 101 16.717 19.794 32.202 1.00 0.00 ATOM 794 CA LYS 101 16.112 18.860 33.149 1.00 0.00 ATOM 795 CB LYS 101 16.472 17.419 32.785 1.00 0.00 ATOM 796 CG LYS 101 15.953 16.965 31.427 1.00 0.00 ATOM 797 CD LYS 101 14.433 16.903 31.409 1.00 0.00 ATOM 798 CE LYS 101 13.915 16.393 30.072 1.00 0.00 ATOM 799 NZ LYS 101 12.428 16.377 30.020 1.00 0.00 ATOM 800 O LYS 101 17.778 19.279 34.828 1.00 0.00 ATOM 801 C LYS 101 16.571 19.198 34.554 1.00 0.00 ATOM 802 N ALA 102 15.580 19.466 35.391 1.00 0.00 ATOM 803 CA ALA 102 15.863 19.851 36.766 1.00 0.00 ATOM 804 CB ALA 102 14.619 20.443 37.431 1.00 0.00 ATOM 805 O ALA 102 17.397 19.080 38.364 1.00 0.00 ATOM 806 C ALA 102 16.506 18.736 37.615 1.00 0.00 ATOM 807 N ASP 103 16.228 17.459 37.302 1.00 0.00 ATOM 808 CA ASP 103 16.827 16.332 38.062 1.00 0.00 ATOM 809 CB ASP 103 15.749 15.320 38.459 1.00 0.00 ATOM 810 CG ASP 103 14.670 15.878 39.376 1.00 0.00 ATOM 811 OD1 ASP 103 15.008 16.394 40.414 1.00 0.00 ATOM 812 OD2 ASP 103 13.535 15.924 38.965 1.00 0.00 ATOM 813 O ASP 103 18.880 15.032 37.854 1.00 0.00 ATOM 814 C ASP 103 17.942 15.600 37.288 1.00 0.00 ATOM 815 N ASP 104 17.836 15.640 35.974 1.00 0.00 ATOM 816 CA ASP 104 18.751 14.903 35.087 1.00 0.00 ATOM 817 CB ASP 104 18.013 14.421 33.836 1.00 0.00 ATOM 818 CG ASP 104 16.907 13.409 34.108 1.00 0.00 ATOM 819 OD1 ASP 104 17.187 12.401 34.713 1.00 0.00 ATOM 820 OD2 ASP 104 15.769 13.719 33.849 1.00 0.00 ATOM 821 O ASP 104 21.060 15.153 34.516 1.00 0.00 ATOM 822 C ASP 104 19.972 15.716 34.656 1.00 0.00 ATOM 823 N ILE 105 19.803 17.020 34.503 1.00 0.00 ATOM 824 CA ILE 105 20.924 17.879 34.060 1.00 0.00 ATOM 825 CB ILE 105 20.467 18.907 33.009 1.00 0.00 ATOM 826 CG1 ILE 105 19.960 18.196 31.752 1.00 0.00 ATOM 827 CG2 ILE 105 21.604 19.857 32.665 1.00 0.00 ATOM 828 CD1 ILE 105 20.931 17.184 31.189 1.00 0.00 ATOM 829 O ILE 105 22.762 18.562 35.418 1.00 0.00 ATOM 830 C ILE 105 21.557 18.620 35.251 1.00 0.00 ATOM 831 N VAL 106 20.811 19.582 35.755 1.00 0.00 ATOM 832 CA VAL 106 21.267 20.425 36.876 1.00 0.00 ATOM 833 CB VAL 106 20.860 21.897 36.677 1.00 0.00 ATOM 834 CG1 VAL 106 19.348 22.045 36.736 1.00 0.00 ATOM 835 CG2 VAL 106 21.522 22.778 37.727 1.00 0.00 ATOM 836 O VAL 106 19.883 18.938 38.079 1.00 0.00 ATOM 837 C VAL 106 20.667 19.867 38.168 1.00 0.00 ATOM 838 N LEU 107 21.093 20.372 39.322 1.00 0.00 ATOM 839 CA LEU 107 20.308 20.160 40.552 1.00 0.00 ATOM 840 CB LEU 107 21.027 19.169 41.476 1.00 0.00 ATOM 841 CG LEU 107 20.244 18.760 42.731 1.00 0.00 ATOM 842 CD1 LEU 107 18.981 18.006 42.336 1.00 0.00 ATOM 843 CD2 LEU 107 21.127 17.902 43.625 1.00 0.00 ATOM 844 O LEU 107 21.025 22.292 41.395 1.00 0.00 ATOM 845 C LEU 107 20.088 21.493 41.232 1.00 0.00 ATOM 846 N THR 108 18.826 21.843 41.372 1.00 0.00 ATOM 847 CA THR 108 18.507 23.152 41.992 1.00 0.00 ATOM 848 CB THR 108 16.988 23.395 42.050 1.00 0.00 ATOM 849 CG2 THR 108 16.407 23.478 40.646 1.00 0.00 ATOM 850 OG1 THR 108 16.357 22.323 42.761 1.00 0.00 ATOM 851 O THR 108 19.316 22.219 44.097 1.00 0.00 ATOM 852 C THR 108 19.102 23.211 43.408 1.00 0.00 ATOM 853 N LYS 109 19.514 24.405 43.765 1.00 0.00 ATOM 854 CA LYS 109 20.208 24.677 45.026 1.00 0.00 ATOM 855 CB LYS 109 20.579 26.158 45.125 1.00 0.00 ATOM 856 CG LYS 109 21.344 26.532 46.389 1.00 0.00 ATOM 857 CD LYS 109 21.747 27.999 46.378 1.00 0.00 ATOM 858 CE LYS 109 22.507 28.374 47.641 1.00 0.00 ATOM 859 NZ LYS 109 22.901 29.809 47.648 1.00 0.00 ATOM 860 O LYS 109 19.869 23.740 47.191 1.00 0.00 ATOM 861 C LYS 109 19.340 24.261 46.211 1.00 0.00 ATOM 862 N ASP 110 18.039 24.446 46.042 1.00 0.00 ATOM 863 CA ASP 110 17.064 24.105 47.080 1.00 0.00 ATOM 864 CB ASP 110 15.666 24.584 46.681 1.00 0.00 ATOM 865 CG ASP 110 15.471 26.092 46.763 1.00 0.00 ATOM 866 OD1 ASP 110 16.307 26.749 47.337 1.00 0.00 ATOM 867 OD2 ASP 110 14.579 26.591 46.120 1.00 0.00 ATOM 868 O ASP 110 17.120 22.233 48.518 1.00 0.00 ATOM 869 C ASP 110 17.041 22.608 47.353 1.00 0.00 ATOM 870 N SER 111 17.206 21.809 46.299 1.00 0.00 ATOM 871 CA SER 111 17.311 20.341 46.414 1.00 0.00 ATOM 872 CB SER 111 17.210 19.701 45.043 1.00 0.00 ATOM 873 OG SER 111 15.947 19.888 44.466 1.00 0.00 ATOM 874 O SER 111 18.605 19.212 48.097 1.00 0.00 ATOM 875 C SER 111 18.621 19.941 47.099 1.00 0.00 ATOM 876 N SER 112 19.680 20.682 46.792 1.00 0.00 ATOM 877 CA SER 112 20.987 20.469 47.445 1.00 0.00 ATOM 878 CB SER 112 22.032 21.381 46.831 1.00 0.00 ATOM 879 OG SER 112 23.287 21.225 47.434 1.00 0.00 ATOM 880 O SER 112 21.339 19.888 49.759 1.00 0.00 ATOM 881 C SER 112 20.893 20.706 48.961 1.00 0.00 ATOM 882 N SER 113 20.237 21.802 49.314 1.00 0.00 ATOM 883 CA SER 113 19.958 22.164 50.715 1.00 0.00 ATOM 884 CB SER 113 19.327 23.540 50.783 1.00 0.00 ATOM 885 OG SER 113 20.211 24.546 50.371 1.00 0.00 ATOM 886 O SER 113 19.381 20.699 52.512 1.00 0.00 ATOM 887 C SER 113 19.055 21.149 51.417 1.00 0.00 ATOM 888 N PHE 114 18.017 20.755 50.680 1.00 0.00 ATOM 889 CA PHE 114 17.097 19.719 51.100 1.00 0.00 ATOM 890 CB PHE 114 15.968 19.416 50.128 1.00 0.00 ATOM 891 CG PHE 114 15.114 18.234 50.610 1.00 0.00 ATOM 892 CD1 PHE 114 14.317 18.259 51.728 1.00 0.00 ATOM 893 CD2 PHE 114 15.188 17.085 49.880 1.00 0.00 ATOM 894 CE1 PHE 114 13.576 17.128 52.058 1.00 0.00 ATOM 895 CE2 PHE 114 14.446 15.940 50.190 1.00 0.00 ATOM 896 CZ PHE 114 13.622 15.966 51.299 1.00 0.00 ATOM 897 O PHE 114 17.773 18.176 52.479 1.00 0.00 ATOM 898 C PHE 114 17.881 18.464 51.354 1.00 0.00 ATOM 899 N LYS 115 18.874 18.077 50.532 1.00 0.00 ATOM 900 CA LYS 115 19.725 16.886 50.700 1.00 0.00 ATOM 901 CB LYS 115 20.545 16.631 49.433 1.00 0.00 ATOM 902 CG LYS 115 21.576 15.518 49.566 1.00 0.00 ATOM 903 CD LYS 115 22.486 15.459 48.348 1.00 0.00 ATOM 904 CE LYS 115 23.536 14.366 48.493 1.00 0.00 ATOM 905 NZ LYS 115 24.454 14.320 47.324 1.00 0.00 ATOM 906 O LYS 115 20.856 16.091 52.716 1.00 0.00 ATOM 907 C LYS 115 20.675 17.003 51.908 1.00 0.00 ATOM 908 N ALA 116 21.276 18.178 52.014 1.00 0.00 ATOM 909 CA ALA 116 22.136 18.504 53.164 1.00 0.00 ATOM 910 CB ALA 116 22.634 19.944 52.963 1.00 0.00 ATOM 911 O ALA 116 21.822 17.635 55.386 1.00 0.00 ATOM 912 C ALA 116 21.363 18.303 54.465 1.00 0.00 ATOM 913 N GLN 117 20.073 18.597 54.425 1.00 0.00 ATOM 914 CA GLN 117 19.229 18.453 55.609 1.00 0.00 ATOM 915 CB GLN 117 18.075 19.437 55.427 1.00 0.00 ATOM 916 CG GLN 117 18.350 20.940 55.556 1.00 0.00 ATOM 917 CD GLN 117 17.133 21.739 55.067 1.00 0.00 ATOM 918 OE1 GLN 117 16.371 21.360 54.202 1.00 0.00 ATOM 919 NE2 GLN 117 16.935 22.875 55.659 1.00 0.00 ATOM 920 O GLN 117 19.245 16.680 57.145 1.00 0.00 ATOM 921 C GLN 117 18.933 16.984 56.027 1.00 0.00 ATOM 922 N PRO 118 18.588 15.997 55.128 1.00 0.00 ATOM 923 CA PRO 118 18.426 14.588 55.460 1.00 0.00 ATOM 924 CB PRO 118 17.959 13.836 54.199 1.00 0.00 ATOM 925 CG PRO 118 18.174 14.805 53.060 1.00 0.00 ATOM 926 CD PRO 118 17.927 16.067 53.863 1.00 0.00 ATOM 927 O PRO 118 19.769 13.532 57.041 1.00 0.00 ATOM 928 C PRO 118 19.736 14.012 55.919 1.00 0.00 ATOM 929 N GLN 119 20.801 14.411 55.234 1.00 0.00 ATOM 930 CA GLN 119 22.104 13.839 55.584 1.00 0.00 ATOM 931 CB GLN 119 23.158 14.231 54.546 1.00 0.00 ATOM 932 CG GLN 119 24.511 13.572 54.753 1.00 0.00 ATOM 933 CD GLN 119 24.444 12.062 54.630 1.00 0.00 ATOM 934 OE1 GLN 119 23.822 11.527 53.708 1.00 0.00 ATOM 935 NE2 GLN 119 25.083 11.365 55.563 1.00 0.00 ATOM 936 O GLN 119 23.044 13.498 57.776 1.00 0.00 ATOM 937 C GLN 119 22.552 14.298 56.980 1.00 0.00 ATOM 938 N ALA 120 22.219 15.547 57.265 1.00 0.00 ATOM 939 CA ALA 120 22.424 16.189 58.569 1.00 0.00 ATOM 940 CB ALA 120 21.835 17.597 58.604 1.00 0.00 ATOM 941 O ALA 120 22.224 15.187 60.762 1.00 0.00 ATOM 942 C ALA 120 21.741 15.403 59.661 1.00 0.00 ATOM 943 N LYS 121 20.518 15.049 59.317 1.00 0.00 ATOM 944 CA LYS 121 19.620 14.391 60.231 1.00 0.00 ATOM 945 CB LYS 121 18.173 14.803 59.950 1.00 0.00 ATOM 946 CG LYS 121 17.876 16.273 60.211 1.00 0.00 ATOM 947 CD LYS 121 16.399 16.582 60.018 1.00 0.00 ATOM 948 CE LYS 121 16.106 18.057 60.248 1.00 0.00 ATOM 949 NZ LYS 121 14.663 18.374 60.067 1.00 0.00 ATOM 950 O LYS 121 19.052 12.306 60.951 1.00 0.00 ATOM 951 C LYS 121 19.742 12.884 60.162 1.00 0.00 ATOM 952 N LYS 122 20.767 12.306 59.504 1.00 0.00 ATOM 953 CA LYS 122 20.988 10.850 59.345 1.00 0.00 ATOM 954 CB LYS 122 21.050 10.166 60.713 1.00 0.00 ATOM 955 CG LYS 122 22.228 10.595 61.577 1.00 0.00 ATOM 956 CD LYS 122 22.159 9.962 62.958 1.00 0.00 ATOM 957 CE LYS 122 23.326 10.403 63.829 1.00 0.00 ATOM 958 NZ LYS 122 23.246 9.830 65.200 1.00 0.00 ATOM 959 O LYS 122 20.080 8.874 58.320 1.00 0.00 ATOM 960 C LYS 122 19.948 10.085 58.498 1.00 0.00 ATOM 961 N GLU 123 19.061 10.830 57.850 1.00 0.00 ATOM 962 CA GLU 123 18.024 10.269 56.954 1.00 0.00 ATOM 963 CB GLU 123 16.765 11.139 56.981 1.00 0.00 ATOM 964 CG GLU 123 16.090 11.224 58.343 1.00 0.00 ATOM 965 CD GLU 123 14.845 12.065 58.284 1.00 0.00 ATOM 966 OE1 GLU 123 14.556 12.591 57.235 1.00 0.00 ATOM 967 OE2 GLU 123 14.123 12.093 59.253 1.00 0.00 ATOM 968 O GLU 123 19.301 11.043 55.081 1.00 0.00 ATOM 969 C GLU 123 18.568 10.151 55.524 1.00 0.00 ATOM 970 N PRO 124 18.122 9.137 54.747 1.00 0.00 ATOM 971 CA PRO 124 18.602 8.939 53.370 1.00 0.00 ATOM 972 CB PRO 124 17.876 7.706 52.838 1.00 0.00 ATOM 973 CG PRO 124 17.493 6.949 54.102 1.00 0.00 ATOM 974 CD PRO 124 17.156 8.081 55.079 1.00 0.00 ATOM 975 O PRO 124 17.101 10.746 52.732 1.00 0.00 ATOM 976 C PRO 124 18.171 10.169 52.558 1.00 0.00 ATOM 977 N THR 125 19.102 10.627 51.743 1.00 0.00 ATOM 978 CA THR 125 18.871 11.734 50.800 1.00 0.00 ATOM 979 CB THR 125 20.212 12.286 50.296 1.00 0.00 ATOM 980 CG2 THR 125 21.017 12.833 51.480 1.00 0.00 ATOM 981 OG1 THR 125 20.974 11.217 49.763 1.00 0.00 ATOM 982 O THR 125 18.218 10.187 49.100 1.00 0.00 ATOM 983 C THR 125 17.980 11.258 49.651 1.00 0.00 ATOM 984 N GLN 126 16.817 11.887 49.528 1.00 0.00 ATOM 985 CA GLN 126 15.883 11.524 48.443 1.00 0.00 ATOM 986 CB GLN 126 14.638 12.414 48.488 1.00 0.00 ATOM 987 CG GLN 126 13.597 12.082 47.432 1.00 0.00 ATOM 988 CD GLN 126 12.372 12.970 47.530 1.00 0.00 ATOM 989 OE1 GLN 126 12.324 13.901 48.338 1.00 0.00 ATOM 990 NE2 GLN 126 11.368 12.684 46.707 1.00 0.00 ATOM 991 O GLN 126 16.687 10.622 46.427 1.00 0.00 ATOM 992 C GLN 126 16.544 11.641 47.073 1.00 0.00 ATOM 993 N ASP 127 17.222 12.788 46.885 1.00 0.00 ATOM 994 CA ASP 127 17.990 13.083 45.664 1.00 0.00 ATOM 995 CB ASP 127 18.568 14.499 45.723 1.00 0.00 ATOM 996 CG ASP 127 17.528 15.607 45.643 1.00 0.00 ATOM 997 OD1 ASP 127 16.704 15.560 44.760 1.00 0.00 ATOM 998 OD2 ASP 127 17.465 16.402 46.550 1.00 0.00 ATOM 999 O ASP 127 19.624 11.502 46.444 1.00 0.00 ATOM 1000 C ASP 127 19.105 12.055 45.477 1.00 0.00 ATOM 1001 N LYS 128 19.304 11.727 44.202 1.00 0.00 ATOM 1002 CA LYS 128 20.435 10.871 43.817 1.00 0.00 ATOM 1003 CB LYS 128 20.441 10.639 42.305 1.00 0.00 ATOM 1004 CG LYS 128 21.537 9.699 41.817 1.00 0.00 ATOM 1005 CD LYS 128 21.428 9.452 40.320 1.00 0.00 ATOM 1006 CE LYS 128 22.535 8.533 39.828 1.00 0.00 ATOM 1007 NZ LYS 128 22.430 8.267 38.367 1.00 0.00 ATOM 1008 O LYS 128 21.761 12.564 44.880 1.00 0.00 ATOM 1009 C LYS 128 21.784 11.475 44.259 1.00 0.00 TER END