PFRMAT TS TARGET T0446 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 Our model 4 comes strictly from our own methods, but the other models METHOD are optimized from other server models, because our models missed the METHOD short strand M8-N10. The metaserver run MQAC1 chose to optimize the METHOD BAKER_ROBETTA_TS2 model, and we combined parts of models from that METHOD lineage with modesl from our own methods. METHOD METHOD Model METHOD 1 T0446.try8-opt3.pdb # < chimera-try7-try5 METHOD chimera-try7-try5: METHOD mostly from T0446.try7-opt3.gromacs0.pdb METHOD D55-I74 from T0446.try5-opt3.pdb METHOD METHOD try7 < chimera-try5-try4 METHOD chimera-try5-try4: METHOD M1-I26 from T0446.try5-opt3.gromacs0.pdb METHOD M27-L124 from try4-opt3.pdb METHOD METHOD 2 T0446.try6-opt3.gromacs0.repack-nonPC.pdb # < chimera-try5-try4 METHOD METHOD 3 T0446.try5-opt3.pdb # < MQAC1-opt3.gromacs0 < BAKER_ROBETTA_TS2 METHOD METHOD 4 T0446.try4-opt3.pdb # < try3-opt3.gromacs0 < try2-opt3 < try1-opt3 < align(3b77A? 2bsqA?) METHOD METHOD 5 T0446.MQAU1-opt3.gromacs0.repack-nonPC.pdb # < SAM-T08-server_TS1 METHOD REMARK 6 REMARK 6 T0446 model 2 Tue Jul 1 14:09:01 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 14.844 32.459 19.440 1.00 0.00 ATOM 2 CA MET 1 16.222 32.660 19.047 1.00 0.00 ATOM 3 CB MET 1 16.947 31.318 18.957 1.00 0.00 ATOM 4 CG MET 1 18.450 31.427 18.746 1.00 0.00 ATOM 5 SD MET 1 19.276 29.824 18.789 1.00 0.00 ATOM 6 CE MET 1 18.617 29.064 17.308 1.00 0.00 ATOM 7 O MET 1 17.180 34.267 17.610 1.00 0.00 ATOM 8 C MET 1 16.319 33.413 17.695 1.00 0.00 ATOM 9 N GLY 2 15.240 33.426 16.893 1.00 0.00 ATOM 10 CA GLY 2 15.173 34.215 15.637 1.00 0.00 ATOM 11 O GLY 2 15.831 36.472 15.074 1.00 0.00 ATOM 12 C GLY 2 15.243 35.734 15.847 1.00 0.00 ATOM 13 N LEU 3 14.552 36.172 16.896 1.00 0.00 ATOM 14 CA LEU 3 14.544 37.605 17.268 1.00 0.00 ATOM 15 CB LEU 3 13.349 37.910 18.180 1.00 0.00 ATOM 16 CG LEU 3 11.972 37.781 17.515 1.00 0.00 ATOM 17 CD1 LEU 3 10.873 37.961 18.554 1.00 0.00 ATOM 18 CD2 LEU 3 11.842 38.818 16.409 1.00 0.00 ATOM 19 O LEU 3 16.414 39.069 17.606 1.00 0.00 ATOM 20 C LEU 3 15.845 38.035 17.958 1.00 0.00 ATOM 21 N LEU 4 16.369 37.166 18.815 1.00 0.00 ATOM 22 CA LEU 4 17.610 37.445 19.567 1.00 0.00 ATOM 23 CB LEU 4 17.863 36.341 20.602 1.00 0.00 ATOM 24 CG LEU 4 18.861 36.701 21.710 1.00 0.00 ATOM 25 CD1 LEU 4 18.858 35.625 22.786 1.00 0.00 ATOM 26 CD2 LEU 4 20.250 36.862 21.110 1.00 0.00 ATOM 27 O LEU 4 19.581 38.539 18.801 1.00 0.00 ATOM 28 C LEU 4 18.825 37.581 18.659 1.00 0.00 ATOM 29 N ASP 5 18.876 36.707 17.663 1.00 0.00 ATOM 30 CA ASP 5 19.959 36.728 16.657 1.00 0.00 ATOM 31 CB ASP 5 19.863 35.508 15.738 1.00 0.00 ATOM 32 CG ASP 5 20.270 34.194 16.392 1.00 0.00 ATOM 33 OD1 ASP 5 20.843 34.235 17.454 1.00 0.00 ATOM 34 OD2 ASP 5 19.870 33.164 15.905 1.00 0.00 ATOM 35 O ASP 5 20.949 38.647 15.644 1.00 0.00 ATOM 36 C ASP 5 19.919 38.010 15.832 1.00 0.00 ATOM 37 N ALA 6 18.700 38.428 15.478 1.00 0.00 ATOM 38 CA ALA 6 18.482 39.688 14.743 1.00 0.00 ATOM 39 CB ALA 6 17.010 39.835 14.347 1.00 0.00 ATOM 40 O ALA 6 19.610 41.772 15.056 1.00 0.00 ATOM 41 C ALA 6 18.922 40.896 15.582 1.00 0.00 ATOM 42 N LEU 7 18.595 40.859 16.871 1.00 0.00 ATOM 43 CA LEU 7 18.972 41.914 17.833 1.00 0.00 ATOM 44 CB LEU 7 18.254 41.693 19.170 1.00 0.00 ATOM 45 CG LEU 7 18.522 42.760 20.239 1.00 0.00 ATOM 46 CD1 LEU 7 18.061 44.123 19.743 1.00 0.00 ATOM 47 CD2 LEU 7 17.805 42.382 21.526 1.00 0.00 ATOM 48 O LEU 7 21.059 43.084 18.096 1.00 0.00 ATOM 49 C LEU 7 20.478 42.004 18.083 1.00 0.00 ATOM 50 N MET 8 21.128 40.837 18.112 1.00 0.00 ATOM 51 CA MET 8 22.582 40.751 18.342 1.00 0.00 ATOM 52 CB MET 8 23.021 39.290 18.407 1.00 0.00 ATOM 53 CG MET 8 24.496 39.088 18.724 1.00 0.00 ATOM 54 SD MET 8 24.941 39.681 20.368 1.00 0.00 ATOM 55 CE MET 8 24.224 38.401 21.395 1.00 0.00 ATOM 56 O MET 8 24.299 42.259 17.545 1.00 0.00 ATOM 57 C MET 8 23.387 41.483 17.261 1.00 0.00 ATOM 58 N GLY 9 22.966 41.253 16.018 1.00 0.00 ATOM 59 CA GLY 9 23.521 41.910 14.832 1.00 0.00 ATOM 60 O GLY 9 23.985 44.081 13.962 1.00 0.00 ATOM 61 C GLY 9 23.380 43.411 14.785 1.00 0.00 ATOM 62 N ASN 10 22.434 43.865 15.568 1.00 0.00 ATOM 63 CA ASN 10 22.104 45.271 15.503 1.00 0.00 ATOM 64 CB ASN 10 20.617 45.482 15.282 1.00 0.00 ATOM 65 CG ASN 10 20.132 45.018 13.937 1.00 0.00 ATOM 66 ND2 ASN 10 18.860 44.722 13.867 1.00 0.00 ATOM 67 OD1 ASN 10 20.885 44.999 12.956 1.00 0.00 ATOM 68 O ASN 10 22.199 47.122 17.092 1.00 0.00 ATOM 69 C ASN 10 22.579 45.986 16.791 1.00 0.00 ATOM 70 N ALA 11 23.715 45.476 17.286 1.00 0.00 ATOM 71 CA ALA 11 24.441 46.061 18.422 1.00 0.00 ATOM 72 CB ALA 11 25.424 45.046 18.980 1.00 0.00 ATOM 73 O ALA 11 25.659 48.043 18.968 1.00 0.00 ATOM 74 C ALA 11 25.148 47.376 18.075 1.00 0.00 ATOM 75 N ALA 12 25.251 47.682 16.786 1.00 0.00 ATOM 76 CA ALA 12 25.863 48.933 16.289 1.00 0.00 ATOM 77 CB ALA 12 25.989 48.881 14.763 1.00 0.00 ATOM 78 O ALA 12 25.672 51.167 17.098 1.00 0.00 ATOM 79 C ALA 12 25.073 50.185 16.673 1.00 0.00 ATOM 80 N GLU 13 23.742 50.088 16.639 1.00 0.00 ATOM 81 CA GLU 13 22.905 51.259 16.926 1.00 0.00 ATOM 82 CB GLU 13 21.819 51.415 15.859 1.00 0.00 ATOM 83 CG GLU 13 22.347 51.708 14.462 1.00 0.00 ATOM 84 CD GLU 13 21.225 51.849 13.472 1.00 0.00 ATOM 85 OE1 GLU 13 20.089 51.771 13.875 1.00 0.00 ATOM 86 OE2 GLU 13 21.498 52.145 12.332 1.00 0.00 ATOM 87 O GLU 13 21.466 52.071 18.678 1.00 0.00 ATOM 88 C GLU 13 22.246 51.201 18.309 1.00 0.00 ATOM 89 N VAL 14 22.611 50.179 19.080 1.00 0.00 ATOM 90 CA VAL 14 22.128 50.007 20.459 1.00 0.00 ATOM 91 CB VAL 14 21.261 48.741 20.601 1.00 0.00 ATOM 92 CG1 VAL 14 20.824 48.554 22.046 1.00 0.00 ATOM 93 CG2 VAL 14 20.049 48.820 19.685 1.00 0.00 ATOM 94 O VAL 14 24.361 49.345 21.054 1.00 0.00 ATOM 95 C VAL 14 23.334 49.934 21.402 1.00 0.00 ATOM 96 N ASN 15 23.187 50.534 22.568 1.00 0.00 ATOM 97 CA ASN 15 24.300 50.449 23.509 1.00 0.00 ATOM 98 CB ASN 15 24.307 51.626 24.467 1.00 0.00 ATOM 99 CG ASN 15 24.650 52.936 23.814 1.00 0.00 ATOM 100 ND2 ASN 15 24.258 54.006 24.457 1.00 0.00 ATOM 101 OD1 ASN 15 25.327 52.979 22.780 1.00 0.00 ATOM 102 O ASN 15 23.203 48.380 24.171 1.00 0.00 ATOM 103 C ASN 15 24.200 49.113 24.247 1.00 0.00 ATOM 104 N LEU 16 25.321 48.730 24.816 1.00 0.00 ATOM 105 CA LEU 16 25.441 47.439 25.516 1.00 0.00 ATOM 106 CB LEU 16 26.871 47.250 26.036 1.00 0.00 ATOM 107 CG LEU 16 27.937 47.034 24.952 1.00 0.00 ATOM 108 CD1 LEU 16 29.325 47.035 25.577 1.00 0.00 ATOM 109 CD2 LEU 16 27.671 45.719 24.233 1.00 0.00 ATOM 110 O LEU 16 23.919 46.183 26.855 1.00 0.00 ATOM 111 C LEU 16 24.473 47.268 26.676 1.00 0.00 ATOM 112 N ASP 17 24.218 48.357 27.396 1.00 0.00 ATOM 113 CA ASP 17 23.277 48.296 28.527 1.00 0.00 ATOM 114 CB ASP 17 23.369 49.569 29.371 1.00 0.00 ATOM 115 CG ASP 17 24.633 49.674 30.217 1.00 0.00 ATOM 116 OD1 ASP 17 25.319 48.689 30.348 1.00 0.00 ATOM 117 OD2 ASP 17 24.983 50.768 30.591 1.00 0.00 ATOM 118 O ASP 17 21.154 47.274 28.653 1.00 0.00 ATOM 119 C ASP 17 21.851 48.093 28.065 1.00 0.00 ATOM 120 N GLU 18 21.502 48.724 26.940 1.00 0.00 ATOM 121 CA GLU 18 20.181 48.525 26.297 1.00 0.00 ATOM 122 CB GLU 18 19.966 49.554 25.184 1.00 0.00 ATOM 123 CG GLU 18 19.759 50.978 25.678 1.00 0.00 ATOM 124 CD GLU 18 19.669 51.946 24.532 1.00 0.00 ATOM 125 OE1 GLU 18 19.831 51.527 23.411 1.00 0.00 ATOM 126 OE2 GLU 18 19.327 53.082 24.764 1.00 0.00 ATOM 127 O GLU 18 19.076 46.434 26.061 1.00 0.00 ATOM 128 C GLU 18 20.049 47.114 25.738 1.00 0.00 ATOM 129 N LEU 19 21.158 46.601 25.207 1.00 0.00 ATOM 130 CA LEU 19 21.242 45.207 24.741 1.00 0.00 ATOM 131 CB LEU 19 22.599 44.953 24.071 1.00 0.00 ATOM 132 CG LEU 19 22.802 45.655 22.723 1.00 0.00 ATOM 133 CD1 LEU 19 24.240 45.482 22.255 1.00 0.00 ATOM 134 CD2 LEU 19 21.830 45.085 21.700 1.00 0.00 ATOM 135 O LEU 19 20.192 43.320 25.803 1.00 0.00 ATOM 136 C LEU 19 21.027 44.215 25.889 1.00 0.00 ATOM 137 N ALA 20 21.706 44.473 27.010 1.00 0.00 ATOM 138 CA ALA 20 21.575 43.623 28.205 1.00 0.00 ATOM 139 CB ALA 20 22.552 44.073 29.272 1.00 0.00 ATOM 140 O ALA 20 19.553 42.637 29.057 1.00 0.00 ATOM 141 C ALA 20 20.164 43.673 28.787 1.00 0.00 ATOM 142 N GLN 21 19.607 44.889 28.823 1.00 0.00 ATOM 143 CA GLN 21 18.227 45.105 29.296 1.00 0.00 ATOM 144 CB GLN 21 17.896 46.600 29.320 1.00 0.00 ATOM 145 CG GLN 21 16.524 46.925 29.885 1.00 0.00 ATOM 146 CD GLN 21 16.394 46.542 31.346 1.00 0.00 ATOM 147 OE1 GLN 21 17.281 46.825 32.157 1.00 0.00 ATOM 148 NE2 GLN 21 15.289 45.892 31.692 1.00 0.00 ATOM 149 O GLN 21 16.317 43.687 28.930 1.00 0.00 ATOM 150 C GLN 21 17.212 44.365 28.413 1.00 0.00 ATOM 151 N GLU 22 17.394 44.475 27.103 1.00 0.00 ATOM 152 CA GLU 22 16.513 43.822 26.122 1.00 0.00 ATOM 153 CB GLU 22 16.841 44.298 24.705 1.00 0.00 ATOM 154 CG GLU 22 16.422 45.733 24.412 1.00 0.00 ATOM 155 CD GLU 22 14.940 45.915 24.587 1.00 0.00 ATOM 156 OE1 GLU 22 14.195 45.168 24.000 1.00 0.00 ATOM 157 OE2 GLU 22 14.553 46.728 25.394 1.00 0.00 ATOM 158 O GLU 22 15.606 41.624 26.361 1.00 0.00 ATOM 159 C GLU 22 16.616 42.302 26.190 1.00 0.00 ATOM 160 N LEU 23 17.844 41.802 26.254 1.00 0.00 ATOM 161 CA LEU 23 18.068 40.358 26.406 1.00 0.00 ATOM 162 CB LEU 23 19.571 40.053 26.412 1.00 0.00 ATOM 163 CG LEU 23 20.287 40.274 25.074 1.00 0.00 ATOM 164 CD1 LEU 23 21.791 40.104 25.251 1.00 0.00 ATOM 165 CD2 LEU 23 19.751 39.294 24.041 1.00 0.00 ATOM 166 O LEU 23 16.792 38.740 27.612 1.00 0.00 ATOM 167 C LEU 23 17.417 39.793 27.686 1.00 0.00 ATOM 168 N GLY 24 17.385 40.634 28.726 1.00 0.00 ATOM 169 CA GLY 24 16.676 40.513 30.033 1.00 0.00 ATOM 170 O GLY 24 14.849 39.036 30.167 1.00 0.00 ATOM 171 C GLY 24 15.170 40.199 29.999 1.00 0.00 ATOM 172 N PRO 25 14.214 41.124 29.865 1.00 0.00 ATOM 173 CA PRO 25 13.024 40.822 29.104 1.00 0.00 ATOM 174 CB PRO 25 12.672 42.198 28.589 1.00 0.00 ATOM 175 CG PRO 25 12.932 43.075 29.803 1.00 0.00 ATOM 176 CD PRO 25 13.636 42.115 30.781 1.00 0.00 ATOM 177 O PRO 25 11.956 38.928 28.258 1.00 0.00 ATOM 178 C PRO 25 12.919 39.666 28.131 1.00 0.00 ATOM 179 N ILE 26 13.787 39.594 27.130 1.00 0.00 ATOM 180 CA ILE 26 13.593 38.559 26.100 1.00 0.00 ATOM 181 CB ILE 26 14.596 38.719 24.943 1.00 0.00 ATOM 182 CG1 ILE 26 14.306 40.003 24.160 1.00 0.00 ATOM 183 CG2 ILE 26 14.545 37.509 24.023 1.00 0.00 ATOM 184 CD1 ILE 26 15.393 40.379 23.179 1.00 0.00 ATOM 185 O ILE 26 13.067 36.256 26.126 1.00 0.00 ATOM 186 C ILE 26 13.725 37.137 26.653 1.00 0.00 ATOM 187 N MET 27 14.764 36.915 27.456 1.00 0.00 ATOM 188 CA MET 27 15.031 35.591 28.046 1.00 0.00 ATOM 189 CB MET 27 16.425 35.562 28.669 1.00 0.00 ATOM 190 CG MET 27 17.566 35.633 27.665 1.00 0.00 ATOM 191 SD MET 27 17.543 34.264 26.489 1.00 0.00 ATOM 192 CE MET 27 17.942 32.888 27.564 1.00 0.00 ATOM 193 O MET 27 13.864 33.995 29.413 1.00 0.00 ATOM 194 C MET 27 14.004 35.180 29.099 1.00 0.00 ATOM 195 N GLY 28 13.517 36.186 29.811 1.00 0.00 ATOM 196 CA GLY 28 12.500 35.917 30.833 1.00 0.00 ATOM 197 O GLY 28 12.814 38.172 31.649 1.00 0.00 ATOM 198 C GLY 28 12.352 37.041 31.816 1.00 0.00 ATOM 199 N ASP 29 11.898 36.561 32.951 1.00 0.00 ATOM 200 CA ASP 29 11.638 37.442 34.093 1.00 0.00 ATOM 201 CB ASP 29 10.268 37.139 34.705 1.00 0.00 ATOM 202 CG ASP 29 9.874 38.059 35.852 1.00 0.00 ATOM 203 OD1 ASP 29 10.684 38.865 36.246 1.00 0.00 ATOM 204 OD2 ASP 29 8.724 38.058 36.220 1.00 0.00 ATOM 205 O ASP 29 12.820 36.201 35.738 1.00 0.00 ATOM 206 C ASP 29 12.780 37.222 35.075 1.00 0.00 ATOM 207 N ASN 30 13.852 37.983 34.934 1.00 0.00 ATOM 208 CA ASN 30 15.049 37.807 35.788 1.00 0.00 ATOM 209 CB ASN 30 14.716 37.999 37.256 1.00 0.00 ATOM 210 CG ASN 30 14.350 39.413 37.613 1.00 0.00 ATOM 211 ND2 ASN 30 13.585 39.550 38.665 1.00 0.00 ATOM 212 OD1 ASN 30 14.815 40.373 36.988 1.00 0.00 ATOM 213 O ASN 30 16.758 36.159 36.254 1.00 0.00 ATOM 214 C ASN 30 15.748 36.438 35.614 1.00 0.00 ATOM 215 N GLU 31 15.285 35.651 34.644 1.00 0.00 ATOM 216 CA GLU 31 15.929 34.368 34.296 1.00 0.00 ATOM 217 CB GLU 31 15.087 33.606 33.270 1.00 0.00 ATOM 218 CG GLU 31 13.773 33.064 33.813 1.00 0.00 ATOM 219 CD GLU 31 13.035 32.273 32.769 1.00 0.00 ATOM 220 OE1 GLU 31 13.579 31.310 32.286 1.00 0.00 ATOM 221 OE2 GLU 31 11.885 32.564 32.535 1.00 0.00 ATOM 222 O GLU 31 17.525 35.623 33.036 1.00 0.00 ATOM 223 C GLU 31 17.327 34.657 33.768 1.00 0.00 ATOM 224 N GLN 32 18.278 33.907 34.300 1.00 0.00 ATOM 225 CA GLN 32 19.690 34.142 33.958 1.00 0.00 ATOM 226 CB GLN 32 20.464 34.634 35.184 1.00 0.00 ATOM 227 CG GLN 32 20.008 35.985 35.709 1.00 0.00 ATOM 228 CD GLN 32 20.809 36.438 36.914 1.00 0.00 ATOM 229 OE1 GLN 32 21.732 35.750 37.357 1.00 0.00 ATOM 230 NE2 GLN 32 20.460 37.601 37.452 1.00 0.00 ATOM 231 O GLN 32 20.282 31.833 34.004 1.00 0.00 ATOM 232 C GLN 32 20.376 32.899 33.406 1.00 0.00 ATOM 233 N LEU 33 21.137 33.080 32.341 1.00 0.00 ATOM 234 CA LEU 33 21.916 31.983 31.756 1.00 0.00 ATOM 235 CB LEU 33 22.239 32.287 30.288 1.00 0.00 ATOM 236 CG LEU 33 22.525 31.057 29.415 1.00 0.00 ATOM 237 CD1 LEU 33 22.970 31.495 28.026 1.00 0.00 ATOM 238 CD2 LEU 33 23.593 30.200 30.078 1.00 0.00 ATOM 239 O LEU 33 24.138 32.531 32.476 1.00 0.00 ATOM 240 C LEU 33 23.215 31.723 32.537 1.00 0.00 ATOM 241 N ALA 34 23.241 30.582 33.212 1.00 0.00 ATOM 242 CA ALA 34 24.449 30.160 33.964 1.00 0.00 ATOM 243 CB ALA 34 24.072 29.444 35.251 1.00 0.00 ATOM 244 O ALA 34 26.605 29.246 33.428 1.00 0.00 ATOM 245 C ALA 34 25.411 29.274 33.165 1.00 0.00 ATOM 246 N LEU 35 24.869 28.543 32.199 1.00 0.00 ATOM 247 CA LEU 35 25.697 27.766 31.270 1.00 0.00 ATOM 248 CB LEU 35 26.491 26.601 31.870 1.00 0.00 ATOM 249 CG LEU 35 27.980 26.977 31.913 1.00 0.00 ATOM 250 CD1 LEU 35 28.820 25.886 32.567 1.00 0.00 ATOM 251 CD2 LEU 35 28.571 27.292 30.524 1.00 0.00 ATOM 252 O LEU 35 23.796 26.945 30.038 1.00 0.00 ATOM 253 C LEU 35 24.971 27.329 30.017 1.00 0.00 ATOM 254 N ALA 36 25.644 27.638 28.936 1.00 0.00 ATOM 255 CA ALA 36 25.096 27.383 27.611 1.00 0.00 ATOM 256 CB ALA 36 24.930 28.691 26.849 1.00 0.00 ATOM 257 O ALA 36 27.245 26.671 26.743 1.00 0.00 ATOM 258 C ALA 36 26.025 26.479 26.813 1.00 0.00 ATOM 259 N TYR 37 25.364 25.547 26.149 1.00 0.00 ATOM 260 CA TYR 37 26.021 24.769 25.108 1.00 0.00 ATOM 261 CB TYR 37 26.663 23.432 25.457 1.00 0.00 ATOM 262 CG TYR 37 28.179 23.679 25.593 1.00 0.00 ATOM 263 CD1 TYR 37 28.825 24.771 25.025 1.00 0.00 ATOM 264 CD2 TYR 37 28.918 22.753 26.303 1.00 0.00 ATOM 265 CE1 TYR 37 30.187 24.939 25.173 1.00 0.00 ATOM 266 CE2 TYR 37 30.280 22.943 26.421 1.00 0.00 ATOM 267 CZ TYR 37 30.910 24.025 25.869 1.00 0.00 ATOM 268 OH TYR 37 32.248 24.068 25.810 1.00 0.00 ATOM 269 O TYR 37 24.127 24.494 23.666 1.00 0.00 ATOM 270 C TYR 37 25.337 24.706 23.779 1.00 0.00 ATOM 271 N ARG 38 26.163 25.105 22.831 1.00 0.00 ATOM 272 CA ARG 38 25.712 25.339 21.458 1.00 0.00 ATOM 273 CB ARG 38 25.933 26.778 21.018 1.00 0.00 ATOM 274 CG ARG 38 25.047 27.802 21.709 1.00 0.00 ATOM 275 CD ARG 38 25.313 29.209 21.314 1.00 0.00 ATOM 276 NE ARG 38 24.963 29.525 19.938 1.00 0.00 ATOM 277 CZ ARG 38 25.337 30.645 19.292 1.00 0.00 ATOM 278 NH1 ARG 38 26.040 31.576 19.900 1.00 0.00 ATOM 279 NH2 ARG 38 24.959 30.797 18.035 1.00 0.00 ATOM 280 O ARG 38 27.546 24.433 20.228 1.00 0.00 ATOM 281 C ARG 38 26.360 24.355 20.508 1.00 0.00 ATOM 282 N VAL 39 25.459 23.716 19.790 1.00 0.00 ATOM 283 CA VAL 39 25.866 22.809 18.714 1.00 0.00 ATOM 284 CB VAL 39 25.604 21.331 19.036 1.00 0.00 ATOM 285 CG1 VAL 39 26.492 20.909 20.186 1.00 0.00 ATOM 286 CG2 VAL 39 24.129 21.015 19.308 1.00 0.00 ATOM 287 O VAL 39 24.052 23.799 17.513 1.00 0.00 ATOM 288 C VAL 39 25.114 23.189 17.451 1.00 0.00 ATOM 289 N ILE 40 25.523 22.543 16.376 1.00 0.00 ATOM 290 CA ILE 40 24.901 22.696 15.041 1.00 0.00 ATOM 291 CB ILE 40 25.332 21.570 14.085 1.00 0.00 ATOM 292 CG1 ILE 40 26.821 21.694 13.749 1.00 0.00 ATOM 293 CG2 ILE 40 24.493 21.599 12.816 1.00 0.00 ATOM 294 CD1 ILE 40 27.381 20.504 13.004 1.00 0.00 ATOM 295 O ILE 40 22.747 23.456 14.233 1.00 0.00 ATOM 296 C ILE 40 23.351 22.726 15.023 1.00 0.00 ATOM 297 N ARG 41 22.748 21.772 15.730 1.00 0.00 ATOM 298 CA ARG 41 21.301 21.461 15.711 1.00 0.00 ATOM 299 CB ARG 41 21.035 19.974 15.529 1.00 0.00 ATOM 300 CG ARG 41 21.446 19.412 14.177 1.00 0.00 ATOM 301 CD ARG 41 21.145 17.969 13.996 1.00 0.00 ATOM 302 NE ARG 41 19.728 17.644 14.009 1.00 0.00 ATOM 303 CZ ARG 41 19.228 16.395 13.931 1.00 0.00 ATOM 304 NH1 ARG 41 20.022 15.355 13.799 1.00 0.00 ATOM 305 NH2 ARG 41 17.916 16.243 13.968 1.00 0.00 ATOM 306 O ARG 41 19.368 22.371 16.835 1.00 0.00 ATOM 307 C ARG 41 20.534 21.984 16.941 1.00 0.00 ATOM 308 N ASP 42 21.204 21.960 18.077 1.00 0.00 ATOM 309 CA ASP 42 20.546 22.230 19.363 1.00 0.00 ATOM 310 CB ASP 42 20.475 20.955 20.207 1.00 0.00 ATOM 311 CG ASP 42 19.557 19.878 19.645 1.00 0.00 ATOM 312 OD1 ASP 42 18.821 20.170 18.733 1.00 0.00 ATOM 313 OD2 ASP 42 19.708 18.741 20.022 1.00 0.00 ATOM 314 O ASP 42 22.459 23.590 20.005 1.00 0.00 ATOM 315 C ASP 42 21.258 23.321 20.139 1.00 0.00 ATOM 316 N MET 43 20.431 23.967 20.928 1.00 0.00 ATOM 317 CA MET 43 20.916 24.932 21.922 1.00 0.00 ATOM 318 CB MET 43 20.506 26.348 21.525 1.00 0.00 ATOM 319 CG MET 43 21.206 27.449 22.309 1.00 0.00 ATOM 320 SD MET 43 20.714 29.102 21.779 1.00 0.00 ATOM 321 CE MET 43 21.704 30.117 22.871 1.00 0.00 ATOM 322 O MET 43 19.180 24.718 23.566 1.00 0.00 ATOM 323 C MET 43 20.383 24.592 23.312 1.00 0.00 ATOM 324 N PHE 44 21.307 24.272 24.218 1.00 0.00 ATOM 325 CA PHE 44 20.969 23.956 25.625 1.00 0.00 ATOM 326 CB PHE 44 21.675 22.674 26.069 1.00 0.00 ATOM 327 CG PHE 44 21.057 21.420 25.518 1.00 0.00 ATOM 328 CD1 PHE 44 21.264 21.051 24.197 1.00 0.00 ATOM 329 CD2 PHE 44 20.269 20.608 26.319 1.00 0.00 ATOM 330 CE1 PHE 44 20.696 19.898 23.689 1.00 0.00 ATOM 331 CE2 PHE 44 19.701 19.455 25.815 1.00 0.00 ATOM 332 CZ PHE 44 19.915 19.100 24.497 1.00 0.00 ATOM 333 O PHE 44 22.521 25.491 26.642 1.00 0.00 ATOM 334 C PHE 44 21.345 25.115 26.540 1.00 0.00 ATOM 335 N VAL 45 20.319 25.740 27.116 1.00 0.00 ATOM 336 CA VAL 45 20.501 26.916 27.985 1.00 0.00 ATOM 337 CB VAL 45 19.712 28.118 27.420 1.00 0.00 ATOM 338 CG1 VAL 45 19.734 29.367 28.296 1.00 0.00 ATOM 339 CG2 VAL 45 20.265 28.506 26.047 1.00 0.00 ATOM 340 O VAL 45 18.853 26.313 29.633 1.00 0.00 ATOM 341 C VAL 45 20.033 26.550 29.400 1.00 0.00 ATOM 342 N PHE 46 20.988 26.589 30.309 1.00 0.00 ATOM 343 CA PHE 46 20.742 26.296 31.729 1.00 0.00 ATOM 344 CB PHE 46 21.848 25.400 32.289 1.00 0.00 ATOM 345 CG PHE 46 21.991 24.090 31.567 1.00 0.00 ATOM 346 CD1 PHE 46 22.874 23.961 30.505 1.00 0.00 ATOM 347 CD2 PHE 46 21.244 22.986 31.947 1.00 0.00 ATOM 348 CE1 PHE 46 23.007 22.758 29.839 1.00 0.00 ATOM 349 CE2 PHE 46 21.376 21.781 31.284 1.00 0.00 ATOM 350 CZ PHE 46 22.259 21.667 30.229 1.00 0.00 ATOM 351 O PHE 46 21.597 28.401 32.513 1.00 0.00 ATOM 352 C PHE 46 20.649 27.610 32.508 1.00 0.00 ATOM 353 N THR 47 19.448 27.882 32.986 1.00 0.00 ATOM 354 CA THR 47 19.167 29.089 33.777 1.00 0.00 ATOM 355 CB THR 47 17.899 29.807 33.280 1.00 0.00 ATOM 356 CG2 THR 47 18.014 30.128 31.797 1.00 0.00 ATOM 357 OG1 THR 47 16.756 28.970 33.497 1.00 0.00 ATOM 358 O THR 47 18.876 27.566 35.613 1.00 0.00 ATOM 359 C THR 47 19.005 28.735 35.255 1.00 0.00 ATOM 360 N ASN 48 18.769 29.767 36.049 1.00 0.00 ATOM 361 CA ASN 48 18.447 29.560 37.475 1.00 0.00 ATOM 362 CB ASN 48 18.522 30.859 38.256 1.00 0.00 ATOM 363 CG ASN 48 19.924 31.354 38.474 1.00 0.00 ATOM 364 ND2 ASN 48 20.032 32.609 38.830 1.00 0.00 ATOM 365 OD1 ASN 48 20.893 30.590 38.393 1.00 0.00 ATOM 366 O ASN 48 16.817 28.365 38.771 1.00 0.00 ATOM 367 C ASN 48 17.064 28.917 37.713 1.00 0.00 ATOM 368 N LYS 49 16.176 29.117 36.738 1.00 0.00 ATOM 369 CA LYS 49 14.784 28.616 36.805 1.00 0.00 ATOM 370 CB LYS 49 13.809 29.674 36.286 1.00 0.00 ATOM 371 CG LYS 49 13.733 30.933 37.138 1.00 0.00 ATOM 372 CD LYS 49 13.036 30.663 38.464 1.00 0.00 ATOM 373 CE LYS 49 12.933 31.927 39.304 1.00 0.00 ATOM 374 NZ LYS 49 11.996 32.917 38.708 1.00 0.00 ATOM 375 O LYS 49 13.505 26.656 36.307 1.00 0.00 ATOM 376 C LYS 49 14.514 27.319 36.043 1.00 0.00 ATOM 377 N ARG 50 15.223 27.136 34.928 1.00 0.00 ATOM 378 CA ARG 50 14.845 26.134 33.907 1.00 0.00 ATOM 379 CB ARG 50 13.682 26.604 33.045 1.00 0.00 ATOM 380 CG ARG 50 13.925 27.907 32.299 1.00 0.00 ATOM 381 CD ARG 50 12.708 28.494 31.682 1.00 0.00 ATOM 382 NE ARG 50 11.739 29.012 32.633 1.00 0.00 ATOM 383 CZ ARG 50 10.510 29.457 32.308 1.00 0.00 ATOM 384 NH1 ARG 50 10.109 29.487 31.056 1.00 0.00 ATOM 385 NH2 ARG 50 9.725 29.888 33.279 1.00 0.00 ATOM 386 O ARG 50 17.101 26.242 32.989 1.00 0.00 ATOM 387 C ARG 50 16.016 25.681 33.002 1.00 0.00 ATOM 388 N LEU 51 15.676 24.705 32.177 1.00 0.00 ATOM 389 CA LEU 51 16.445 24.362 30.965 1.00 0.00 ATOM 390 CB LEU 51 16.794 22.868 30.965 1.00 0.00 ATOM 391 CG LEU 51 17.387 22.337 29.652 1.00 0.00 ATOM 392 CD1 LEU 51 18.632 23.132 29.283 1.00 0.00 ATOM 393 CD2 LEU 51 17.714 20.859 29.804 1.00 0.00 ATOM 394 O LEU 51 14.474 24.319 29.588 1.00 0.00 ATOM 395 C LEU 51 15.612 24.755 29.745 1.00 0.00 ATOM 396 N ILE 52 16.126 25.746 29.039 1.00 0.00 ATOM 397 CA ILE 52 15.516 26.245 27.784 1.00 0.00 ATOM 398 CB ILE 52 15.550 27.782 27.713 1.00 0.00 ATOM 399 CG1 ILE 52 14.759 28.388 28.874 1.00 0.00 ATOM 400 CG2 ILE 52 14.998 28.265 26.379 1.00 0.00 ATOM 401 CD1 ILE 52 14.923 29.885 29.010 1.00 0.00 ATOM 402 O ILE 52 17.528 25.717 26.562 1.00 0.00 ATOM 403 C ILE 52 16.307 25.605 26.626 1.00 0.00 ATOM 404 N LEU 53 15.591 24.870 25.784 1.00 0.00 ATOM 405 CA LEU 53 16.186 24.028 24.724 1.00 0.00 ATOM 406 CB LEU 53 16.090 22.546 25.108 1.00 0.00 ATOM 407 CG LEU 53 16.458 21.558 23.994 1.00 0.00 ATOM 408 CD1 LEU 53 17.868 21.836 23.495 1.00 0.00 ATOM 409 CD2 LEU 53 16.341 20.134 24.518 1.00 0.00 ATOM 410 O LEU 53 14.291 24.139 23.217 1.00 0.00 ATOM 411 C LEU 53 15.503 24.277 23.379 1.00 0.00 ATOM 412 N ILE 54 16.308 24.757 22.461 1.00 0.00 ATOM 413 CA ILE 54 15.828 25.022 21.093 1.00 0.00 ATOM 414 CB ILE 54 16.297 26.421 20.651 1.00 0.00 ATOM 415 CG1 ILE 54 15.812 27.426 21.704 1.00 0.00 ATOM 416 CG2 ILE 54 15.779 26.771 19.258 1.00 0.00 ATOM 417 CD1 ILE 54 16.200 28.867 21.492 1.00 0.00 ATOM 418 O ILE 54 17.536 23.797 19.972 1.00 0.00 ATOM 419 C ILE 54 16.339 23.873 20.225 1.00 0.00 ATOM 420 N ASP 55 15.414 22.956 19.942 1.00 0.00 ATOM 421 CA ASP 55 15.749 21.654 19.324 1.00 0.00 ATOM 422 CB ASP 55 14.986 20.520 20.014 1.00 0.00 ATOM 423 CG ASP 55 15.294 19.132 19.469 1.00 0.00 ATOM 424 OD1 ASP 55 16.028 19.040 18.515 1.00 0.00 ATOM 425 OD2 ASP 55 14.923 18.173 20.103 1.00 0.00 ATOM 426 O ASP 55 14.303 21.475 17.417 1.00 0.00 ATOM 427 C ASP 55 15.458 21.612 17.823 1.00 0.00 ATOM 428 N LYS 56 16.504 21.584 17.001 1.00 0.00 ATOM 429 CA LYS 56 16.336 21.491 15.526 1.00 0.00 ATOM 430 CB LYS 56 17.680 21.219 14.849 1.00 0.00 ATOM 431 CG LYS 56 17.601 21.048 13.338 1.00 0.00 ATOM 432 CD LYS 56 17.174 22.340 12.657 1.00 0.00 ATOM 433 CE LYS 56 17.407 22.278 11.155 1.00 0.00 ATOM 434 NZ LYS 56 16.560 21.242 10.503 1.00 0.00 ATOM 435 O LYS 56 14.483 20.641 14.211 1.00 0.00 ATOM 436 C LYS 56 15.333 20.411 15.072 1.00 0.00 ATOM 437 N GLN 57 15.464 19.210 15.625 1.00 0.00 ATOM 438 CA GLN 57 14.584 18.082 15.291 1.00 0.00 ATOM 439 CB GLN 57 15.010 16.825 16.054 1.00 0.00 ATOM 440 CG GLN 57 14.227 15.577 15.684 1.00 0.00 ATOM 441 CD GLN 57 14.756 14.335 16.375 1.00 0.00 ATOM 442 OE1 GLN 57 15.644 14.414 17.229 1.00 0.00 ATOM 443 NE2 GLN 57 14.218 13.178 16.006 1.00 0.00 ATOM 444 O GLN 57 12.724 18.604 16.744 1.00 0.00 ATOM 445 C GLN 57 13.116 18.395 15.604 1.00 0.00 ATOM 446 N GLY 58 12.345 18.483 14.528 1.00 0.00 ATOM 447 CA GLY 58 10.904 18.748 14.619 1.00 0.00 ATOM 448 O GLY 58 9.330 20.460 15.186 1.00 0.00 ATOM 449 C GLY 58 10.520 20.189 15.015 1.00 0.00 ATOM 450 N VAL 59 11.474 21.122 15.008 1.00 0.00 ATOM 451 CA VAL 59 11.131 22.557 15.136 1.00 0.00 ATOM 452 CB VAL 59 12.186 23.482 15.749 1.00 0.00 ATOM 453 CG1 VAL 59 12.232 23.371 17.268 1.00 0.00 ATOM 454 CG2 VAL 59 13.536 23.292 15.064 1.00 0.00 ATOM 455 O VAL 59 11.174 22.445 12.754 1.00 0.00 ATOM 456 C VAL 59 10.837 23.101 13.743 1.00 0.00 ATOM 457 N THR 60 10.418 24.352 13.690 1.00 0.00 ATOM 458 CA THR 60 10.130 24.990 12.395 1.00 0.00 ATOM 459 CB THR 60 9.638 26.419 12.631 1.00 0.00 ATOM 460 CG2 THR 60 9.507 27.235 11.351 1.00 0.00 ATOM 461 OG1 THR 60 8.373 26.353 13.294 1.00 0.00 ATOM 462 O THR 60 12.465 25.246 11.729 1.00 0.00 ATOM 463 C THR 60 11.341 24.858 11.443 1.00 0.00 ATOM 464 N GLY 61 11.055 24.229 10.306 1.00 0.00 ATOM 465 CA GLY 61 12.044 23.951 9.233 1.00 0.00 ATOM 466 O GLY 61 13.874 25.278 8.454 1.00 0.00 ATOM 467 C GLY 61 12.665 25.236 8.668 1.00 0.00 ATOM 468 N LYS 62 11.847 26.283 8.521 1.00 0.00 ATOM 469 CA LYS 62 12.281 27.632 8.120 1.00 0.00 ATOM 470 CB LYS 62 11.086 28.587 8.072 1.00 0.00 ATOM 471 CG LYS 62 11.431 30.004 7.636 1.00 0.00 ATOM 472 CD LYS 62 10.187 30.877 7.557 1.00 0.00 ATOM 473 CE LYS 62 10.536 32.303 7.157 1.00 0.00 ATOM 474 NZ LYS 62 9.330 33.172 7.086 1.00 0.00 ATOM 475 O LYS 62 14.364 28.718 8.760 1.00 0.00 ATOM 476 C LYS 62 13.345 28.131 9.097 1.00 0.00 ATOM 477 N LYS 63 12.953 28.090 10.360 1.00 0.00 ATOM 478 CA LYS 63 13.745 28.601 11.488 1.00 0.00 ATOM 479 CB LYS 63 13.410 30.068 11.759 1.00 0.00 ATOM 480 CG LYS 63 12.002 30.304 12.290 1.00 0.00 ATOM 481 CD LYS 63 11.746 31.782 12.540 1.00 0.00 ATOM 482 CE LYS 63 10.345 32.017 13.088 1.00 0.00 ATOM 483 NZ LYS 63 10.078 33.461 13.332 1.00 0.00 ATOM 484 O LYS 63 12.323 27.570 13.108 1.00 0.00 ATOM 485 C LYS 63 13.480 27.738 12.723 1.00 0.00 ATOM 486 N VAL 64 14.551 27.409 13.437 1.00 0.00 ATOM 487 CA VAL 64 14.473 26.641 14.700 1.00 0.00 ATOM 488 CB VAL 64 15.867 26.184 15.171 1.00 0.00 ATOM 489 CG1 VAL 64 15.787 25.577 16.564 1.00 0.00 ATOM 490 CG2 VAL 64 16.461 25.185 14.190 1.00 0.00 ATOM 491 O VAL 64 14.252 28.531 16.206 1.00 0.00 ATOM 492 C VAL 64 13.817 27.442 15.836 1.00 0.00 ATOM 493 N SER 65 12.695 26.923 16.327 1.00 0.00 ATOM 494 CA SER 65 12.024 27.523 17.491 1.00 0.00 ATOM 495 CB SER 65 10.533 27.632 17.235 1.00 0.00 ATOM 496 OG SER 65 9.924 26.375 17.129 1.00 0.00 ATOM 497 O SER 65 13.102 25.794 18.728 1.00 0.00 ATOM 498 C SER 65 12.293 26.708 18.752 1.00 0.00 ATOM 499 N TYR 66 11.528 26.930 19.815 1.00 0.00 ATOM 500 CA TYR 66 11.944 26.342 21.112 1.00 0.00 ATOM 501 CB TYR 66 12.378 27.443 22.083 1.00 0.00 ATOM 502 CG TYR 66 11.264 28.388 22.476 1.00 0.00 ATOM 503 CD1 TYR 66 10.505 28.160 23.615 1.00 0.00 ATOM 504 CD2 TYR 66 10.977 29.506 21.708 1.00 0.00 ATOM 505 CE1 TYR 66 9.486 29.021 23.978 1.00 0.00 ATOM 506 CE2 TYR 66 9.961 30.373 22.062 1.00 0.00 ATOM 507 CZ TYR 66 9.219 30.127 23.198 1.00 0.00 ATOM 508 OH TYR 66 8.206 30.988 23.556 1.00 0.00 ATOM 509 O TYR 66 9.799 25.436 21.814 1.00 0.00 ATOM 510 C TYR 66 11.017 25.465 21.952 1.00 0.00 ATOM 511 N HIS 67 11.681 24.849 22.926 1.00 0.00 ATOM 512 CA HIS 67 11.087 24.042 24.002 1.00 0.00 ATOM 513 CB HIS 67 11.471 22.566 23.847 1.00 0.00 ATOM 514 CG HIS 67 10.996 21.953 22.567 1.00 0.00 ATOM 515 CD2 HIS 67 11.626 21.756 21.385 1.00 0.00 ATOM 516 ND1 HIS 67 9.720 21.455 22.409 1.00 0.00 ATOM 517 CE1 HIS 67 9.586 20.978 21.183 1.00 0.00 ATOM 518 NE2 HIS 67 10.728 21.150 20.542 1.00 0.00 ATOM 519 O HIS 67 12.624 25.197 25.461 1.00 0.00 ATOM 520 C HIS 67 11.556 24.603 25.344 1.00 0.00 ATOM 521 N SER 68 10.640 24.582 26.298 1.00 0.00 ATOM 522 CA SER 68 10.941 25.116 27.639 1.00 0.00 ATOM 523 CB SER 68 10.245 26.463 27.834 1.00 0.00 ATOM 524 OG SER 68 10.411 26.968 29.172 1.00 0.00 ATOM 525 O SER 68 9.297 23.849 28.836 1.00 0.00 ATOM 526 C SER 68 10.489 24.128 28.700 1.00 0.00 ATOM 527 N VAL 69 11.451 23.693 29.486 1.00 0.00 ATOM 528 CA VAL 69 11.145 22.714 30.541 1.00 0.00 ATOM 529 CB VAL 69 11.651 21.297 30.247 1.00 0.00 ATOM 530 CG1 VAL 69 10.824 20.293 31.054 1.00 0.00 ATOM 531 CG2 VAL 69 11.677 20.866 28.783 1.00 0.00 ATOM 532 O VAL 69 12.813 23.521 32.098 1.00 0.00 ATOM 533 C VAL 69 11.625 23.294 31.887 1.00 0.00 ATOM 534 N PRO 70 10.653 23.759 32.695 1.00 0.00 ATOM 535 CA PRO 70 10.920 24.285 34.048 1.00 0.00 ATOM 536 CB PRO 70 9.541 24.480 34.685 1.00 0.00 ATOM 537 CG PRO 70 8.628 24.707 33.480 1.00 0.00 ATOM 538 CD PRO 70 9.208 23.787 32.403 1.00 0.00 ATOM 539 O PRO 70 11.400 22.010 34.635 1.00 0.00 ATOM 540 C PRO 70 11.662 23.194 34.813 1.00 0.00 ATOM 541 N TYR 71 12.496 23.644 35.743 1.00 0.00 ATOM 542 CA TYR 71 13.351 22.753 36.544 1.00 0.00 ATOM 543 CB TYR 71 14.460 23.636 37.127 1.00 0.00 ATOM 544 CG TYR 71 14.160 24.182 38.532 1.00 0.00 ATOM 545 CD1 TYR 71 15.116 23.975 39.522 1.00 0.00 ATOM 546 CD2 TYR 71 12.910 24.656 38.903 1.00 0.00 ATOM 547 CE1 TYR 71 14.798 24.236 40.847 1.00 0.00 ATOM 548 CE2 TYR 71 12.591 24.906 40.228 1.00 0.00 ATOM 549 CZ TYR 71 13.549 24.700 41.209 1.00 0.00 ATOM 550 OH TYR 71 13.268 24.970 42.512 1.00 0.00 ATOM 551 O TYR 71 13.239 21.360 38.501 1.00 0.00 ATOM 552 C TYR 71 12.600 21.967 37.636 1.00 0.00 ATOM 553 N LYS 72 11.254 21.902 37.590 1.00 0.00 ATOM 554 CA LYS 72 10.502 21.064 38.535 1.00 0.00 ATOM 555 CB LYS 72 9.008 21.102 38.212 1.00 0.00 ATOM 556 CG LYS 72 8.332 22.432 38.515 1.00 0.00 ATOM 557 CD LYS 72 6.851 22.392 38.168 1.00 0.00 ATOM 558 CE LYS 72 6.180 23.729 38.446 1.00 0.00 ATOM 559 NZ LYS 72 4.734 23.709 38.097 1.00 0.00 ATOM 560 O LYS 72 11.253 18.986 39.493 1.00 0.00 ATOM 561 C LYS 72 11.069 19.629 38.460 1.00 0.00 ATOM 562 N ALA 73 11.575 19.285 37.268 1.00 0.00 ATOM 563 CA ALA 73 12.356 18.043 37.058 1.00 0.00 ATOM 564 CB ALA 73 11.327 16.934 36.926 1.00 0.00 ATOM 565 O ALA 73 13.055 17.775 34.763 1.00 0.00 ATOM 566 C ALA 73 13.408 17.965 35.926 1.00 0.00 ATOM 567 N ILE 74 14.687 18.043 36.307 1.00 0.00 ATOM 568 CA ILE 74 15.867 17.665 35.480 1.00 0.00 ATOM 569 CB ILE 74 16.816 18.859 35.271 1.00 0.00 ATOM 570 CG1 ILE 74 16.057 20.046 34.675 1.00 0.00 ATOM 571 CG2 ILE 74 17.979 18.462 34.373 1.00 0.00 ATOM 572 CD1 ILE 74 16.924 21.258 34.416 1.00 0.00 ATOM 573 O ILE 74 17.025 16.703 37.338 1.00 0.00 ATOM 574 C ILE 74 16.579 16.498 36.214 1.00 0.00 ATOM 575 N THR 75 16.808 15.345 35.578 1.00 0.00 ATOM 576 CA THR 75 17.320 14.127 36.261 1.00 0.00 ATOM 577 CB THR 75 16.191 13.126 36.595 1.00 0.00 ATOM 578 CG2 THR 75 15.078 13.710 37.436 1.00 0.00 ATOM 579 OG1 THR 75 15.617 12.593 35.404 1.00 0.00 ATOM 580 O THR 75 18.410 13.543 34.200 1.00 0.00 ATOM 581 C THR 75 18.323 13.341 35.415 1.00 0.00 ATOM 582 N HIS 76 19.025 12.392 36.053 1.00 0.00 ATOM 583 CA HIS 76 19.882 11.429 35.318 1.00 0.00 ATOM 584 CB HIS 76 19.027 10.473 34.481 1.00 0.00 ATOM 585 CG HIS 76 18.044 9.682 35.287 1.00 0.00 ATOM 586 CD2 HIS 76 16.690 9.691 35.301 1.00 0.00 ATOM 587 ND1 HIS 76 18.431 8.741 36.218 1.00 0.00 ATOM 588 CE1 HIS 76 17.356 8.206 36.770 1.00 0.00 ATOM 589 NE2 HIS 76 16.288 8.765 36.231 1.00 0.00 ATOM 590 O HIS 76 21.190 11.642 33.253 1.00 0.00 ATOM 591 C HIS 76 20.932 12.052 34.383 1.00 0.00 ATOM 592 N PHE 77 21.580 13.096 34.884 1.00 0.00 ATOM 593 CA PHE 77 22.706 13.690 34.141 1.00 0.00 ATOM 594 CB PHE 77 23.167 15.015 34.713 1.00 0.00 ATOM 595 CG PHE 77 23.014 15.937 33.525 1.00 0.00 ATOM 596 CD1 PHE 77 23.862 15.853 32.427 1.00 0.00 ATOM 597 CD2 PHE 77 21.937 16.803 33.534 1.00 0.00 ATOM 598 CE1 PHE 77 23.628 16.645 31.316 1.00 0.00 ATOM 599 CE2 PHE 77 21.751 17.631 32.447 1.00 0.00 ATOM 600 CZ PHE 77 22.590 17.557 31.347 1.00 0.00 ATOM 601 O PHE 77 24.594 12.457 34.977 1.00 0.00 ATOM 602 C PHE 77 23.925 12.792 33.999 1.00 0.00 ATOM 603 N GLU 78 24.362 12.678 32.750 1.00 0.00 ATOM 604 CA GLU 78 25.507 11.841 32.378 1.00 0.00 ATOM 605 CB GLU 78 25.030 10.517 31.777 1.00 0.00 ATOM 606 CG GLU 78 24.240 9.639 32.737 1.00 0.00 ATOM 607 CD GLU 78 23.819 8.353 32.081 1.00 0.00 ATOM 608 OE1 GLU 78 24.096 8.183 30.918 1.00 0.00 ATOM 609 OE2 GLU 78 23.321 7.493 32.770 1.00 0.00 ATOM 610 O GLU 78 26.005 13.355 30.580 1.00 0.00 ATOM 611 C GLU 78 26.443 12.546 31.388 1.00 0.00 ATOM 612 N VAL 79 27.723 12.183 31.460 1.00 0.00 ATOM 613 CA VAL 79 28.783 12.711 30.575 1.00 0.00 ATOM 614 CB VAL 79 29.665 13.698 31.376 1.00 0.00 ATOM 615 CG1 VAL 79 30.430 13.024 32.515 1.00 0.00 ATOM 616 CG2 VAL 79 30.714 14.396 30.516 1.00 0.00 ATOM 617 O VAL 79 30.002 10.632 30.678 1.00 0.00 ATOM 618 C VAL 79 29.612 11.560 29.979 1.00 0.00 ATOM 619 N GLU 80 29.973 11.734 28.725 1.00 0.00 ATOM 620 CA GLU 80 30.905 10.812 28.040 1.00 0.00 ATOM 621 CB GLU 80 30.138 9.864 27.116 1.00 0.00 ATOM 622 CG GLU 80 31.013 8.862 26.376 1.00 0.00 ATOM 623 CD GLU 80 30.183 7.894 25.580 1.00 0.00 ATOM 624 OE1 GLU 80 28.981 8.003 25.615 1.00 0.00 ATOM 625 OE2 GLU 80 30.751 7.117 24.849 1.00 0.00 ATOM 626 O GLU 80 31.568 12.555 26.550 1.00 0.00 ATOM 627 C GLU 80 31.935 11.627 27.263 1.00 0.00 ATOM 628 N THR 81 33.192 11.342 27.550 1.00 0.00 ATOM 629 CA THR 81 34.304 11.976 26.836 1.00 0.00 ATOM 630 CB THR 81 35.629 11.829 27.608 1.00 0.00 ATOM 631 CG2 THR 81 35.506 12.434 28.998 1.00 0.00 ATOM 632 OG1 THR 81 35.966 10.441 27.723 1.00 0.00 ATOM 633 O THR 81 33.915 10.317 25.123 1.00 0.00 ATOM 634 C THR 81 34.466 11.371 25.427 1.00 0.00 ATOM 635 N ALA 82 35.353 11.976 24.647 1.00 0.00 ATOM 636 CA ALA 82 35.664 11.466 23.299 1.00 0.00 ATOM 637 CB ALA 82 35.663 12.615 22.301 1.00 0.00 ATOM 638 O ALA 82 38.020 11.357 23.763 1.00 0.00 ATOM 639 C ALA 82 37.047 10.810 23.259 1.00 0.00 ATOM 640 N GLY 83 37.107 9.652 22.592 1.00 0.00 ATOM 641 CA GLY 83 38.373 8.924 22.408 1.00 0.00 ATOM 642 O GLY 83 38.889 10.783 21.021 1.00 0.00 ATOM 643 C GLY 83 39.300 9.726 21.493 1.00 0.00 ATOM 644 N THR 84 40.404 9.126 21.080 1.00 0.00 ATOM 645 CA THR 84 41.330 9.770 20.106 1.00 0.00 ATOM 646 CB THR 84 42.577 8.903 19.852 1.00 0.00 ATOM 647 CG2 THR 84 43.479 9.555 18.816 1.00 0.00 ATOM 648 OG1 THR 84 43.304 8.734 21.076 1.00 0.00 ATOM 649 O THR 84 40.887 11.039 18.093 1.00 0.00 ATOM 650 C THR 84 40.640 10.050 18.761 1.00 0.00 ATOM 651 N PHE 85 39.868 9.049 18.366 1.00 0.00 ATOM 652 CA PHE 85 39.138 8.946 17.086 1.00 0.00 ATOM 653 CB PHE 85 38.693 7.503 16.840 1.00 0.00 ATOM 654 CG PHE 85 39.817 6.577 16.471 1.00 0.00 ATOM 655 CD1 PHE 85 40.369 5.723 17.415 1.00 0.00 ATOM 656 CD2 PHE 85 40.325 6.557 15.182 1.00 0.00 ATOM 657 CE1 PHE 85 41.403 4.871 17.078 1.00 0.00 ATOM 658 CE2 PHE 85 41.359 5.706 14.841 1.00 0.00 ATOM 659 CZ PHE 85 41.898 4.862 15.791 1.00 0.00 ATOM 660 O PHE 85 37.413 10.264 15.984 1.00 0.00 ATOM 661 C PHE 85 37.904 9.887 17.041 1.00 0.00 ATOM 662 N ASP 86 37.407 10.282 18.216 1.00 0.00 ATOM 663 CA ASP 86 36.153 11.054 18.323 1.00 0.00 ATOM 664 CB ASP 86 35.336 10.587 19.531 1.00 0.00 ATOM 665 CG ASP 86 34.735 9.196 19.383 1.00 0.00 ATOM 666 OD1 ASP 86 34.720 8.690 18.286 1.00 0.00 ATOM 667 OD2 ASP 86 34.439 8.590 20.385 1.00 0.00 ATOM 668 O ASP 86 37.148 13.029 19.248 1.00 0.00 ATOM 669 C ASP 86 36.358 12.559 18.431 1.00 0.00 ATOM 670 N MET 87 35.449 13.272 17.794 1.00 0.00 ATOM 671 CA MET 87 35.519 14.744 17.806 1.00 0.00 ATOM 672 CB MET 87 35.442 15.287 16.381 1.00 0.00 ATOM 673 CG MET 87 36.564 14.817 15.466 1.00 0.00 ATOM 674 SD MET 87 38.189 15.371 16.018 1.00 0.00 ATOM 675 CE MET 87 38.114 17.111 15.600 1.00 0.00 ATOM 676 O MET 87 34.572 16.646 18.892 1.00 0.00 ATOM 677 C MET 87 34.427 15.446 18.648 1.00 0.00 ATOM 678 N ASP 88 33.689 14.640 19.413 1.00 0.00 ATOM 679 CA ASP 88 32.634 15.144 20.326 1.00 0.00 ATOM 680 CB ASP 88 31.251 14.987 19.689 1.00 0.00 ATOM 681 CG ASP 88 31.093 15.694 18.350 1.00 0.00 ATOM 682 OD1 ASP 88 31.107 16.902 18.331 1.00 0.00 ATOM 683 OD2 ASP 88 31.115 15.027 17.343 1.00 0.00 ATOM 684 O ASP 88 32.917 13.295 21.873 1.00 0.00 ATOM 685 C ASP 88 32.609 14.464 21.709 1.00 0.00 ATOM 686 N ALA 89 32.235 15.274 22.697 1.00 0.00 ATOM 687 CA ALA 89 31.828 14.797 24.029 1.00 0.00 ATOM 688 CB ALA 89 32.415 15.719 25.096 1.00 0.00 ATOM 689 O ALA 89 29.643 15.685 23.445 1.00 0.00 ATOM 690 C ALA 89 30.284 14.832 24.074 1.00 0.00 ATOM 691 N GLU 90 29.723 13.892 24.823 1.00 0.00 ATOM 692 CA GLU 90 28.265 13.756 24.922 1.00 0.00 ATOM 693 CB GLU 90 27.820 12.381 24.419 1.00 0.00 ATOM 694 CG GLU 90 28.047 12.152 22.931 1.00 0.00 ATOM 695 CD GLU 90 27.525 10.809 22.500 1.00 0.00 ATOM 696 OE1 GLU 90 27.004 10.102 23.328 1.00 0.00 ATOM 697 OE2 GLU 90 27.547 10.537 21.323 1.00 0.00 ATOM 698 O GLU 90 28.270 13.411 27.315 1.00 0.00 ATOM 699 C GLU 90 27.755 13.965 26.343 1.00 0.00 ATOM 700 N LEU 91 26.721 14.784 26.411 1.00 0.00 ATOM 701 CA LEU 91 25.990 15.061 27.660 1.00 0.00 ATOM 702 CB LEU 91 25.897 16.558 27.933 1.00 0.00 ATOM 703 CG LEU 91 27.203 17.236 28.347 1.00 0.00 ATOM 704 CD1 LEU 91 26.872 18.714 28.573 1.00 0.00 ATOM 705 CD2 LEU 91 27.784 16.656 29.643 1.00 0.00 ATOM 706 O LEU 91 23.970 14.650 26.439 1.00 0.00 ATOM 707 C LEU 91 24.576 14.546 27.505 1.00 0.00 ATOM 708 N LYS 92 24.097 13.883 28.543 1.00 0.00 ATOM 709 CA LYS 92 22.734 13.355 28.523 1.00 0.00 ATOM 710 CB LYS 92 22.745 11.853 28.234 1.00 0.00 ATOM 711 CG LYS 92 23.231 11.485 26.838 1.00 0.00 ATOM 712 CD LYS 92 23.166 9.983 26.608 1.00 0.00 ATOM 713 CE LYS 92 23.671 9.612 25.222 1.00 0.00 ATOM 714 NZ LYS 92 23.637 8.142 24.992 1.00 0.00 ATOM 715 O LYS 92 22.608 13.665 30.895 1.00 0.00 ATOM 716 C LYS 92 21.997 13.619 29.831 1.00 0.00 ATOM 717 N LEU 93 20.694 13.748 29.681 1.00 0.00 ATOM 718 CA LEU 93 19.789 14.037 30.795 1.00 0.00 ATOM 719 CB LEU 93 19.815 15.528 31.179 1.00 0.00 ATOM 720 CG LEU 93 19.262 16.512 30.135 1.00 0.00 ATOM 721 CD1 LEU 93 18.875 17.825 30.803 1.00 0.00 ATOM 722 CD2 LEU 93 20.289 16.805 29.035 1.00 0.00 ATOM 723 O LEU 93 18.106 13.291 29.238 1.00 0.00 ATOM 724 C LEU 93 18.368 13.670 30.378 1.00 0.00 ATOM 725 N TRP 94 17.531 13.679 31.403 1.00 0.00 ATOM 726 CA TRP 94 16.093 13.489 31.216 1.00 0.00 ATOM 727 CB TRP 94 15.667 12.120 31.751 1.00 0.00 ATOM 728 CG TRP 94 16.243 10.952 30.950 1.00 0.00 ATOM 729 CD1 TRP 94 17.456 10.427 31.113 1.00 0.00 ATOM 730 CD2 TRP 94 15.609 10.199 29.972 1.00 0.00 ATOM 731 CE2 TRP 94 16.487 9.212 29.581 1.00 0.00 ATOM 732 CE3 TRP 94 14.338 10.221 29.423 1.00 0.00 ATOM 733 NE1 TRP 94 17.569 9.374 30.309 1.00 0.00 ATOM 734 CZ2 TRP 94 16.140 8.255 28.620 1.00 0.00 ATOM 735 CZ3 TRP 94 13.967 9.274 28.478 1.00 0.00 ATOM 736 CH2 TRP 94 14.870 8.297 28.072 1.00 0.00 ATOM 737 O TRP 94 15.554 14.897 33.097 1.00 0.00 ATOM 738 C TRP 94 15.366 14.646 31.909 1.00 0.00 ATOM 739 N ILE 95 14.671 15.435 31.090 1.00 0.00 ATOM 740 CA ILE 95 13.935 16.593 31.605 1.00 0.00 ATOM 741 CB ILE 95 14.482 17.906 31.014 1.00 0.00 ATOM 742 CG1 ILE 95 13.996 19.020 31.937 1.00 0.00 ATOM 743 CG2 ILE 95 14.137 18.088 29.520 1.00 0.00 ATOM 744 CD1 ILE 95 14.491 20.430 31.605 1.00 0.00 ATOM 745 O ILE 95 11.898 16.166 30.359 1.00 0.00 ATOM 746 C ILE 95 12.420 16.418 31.442 1.00 0.00 ATOM 747 N SER 96 11.761 16.315 32.587 1.00 0.00 ATOM 748 CA SER 96 10.313 15.996 32.700 1.00 0.00 ATOM 749 CB SER 96 9.482 17.216 32.355 1.00 0.00 ATOM 750 OG SER 96 9.740 18.290 33.217 1.00 0.00 ATOM 751 O SER 96 8.806 14.772 31.173 1.00 0.00 ATOM 752 C SER 96 9.867 14.811 31.809 1.00 0.00 ATOM 753 N GLY 97 10.689 13.760 31.854 1.00 0.00 ATOM 754 CA GLY 97 10.458 12.499 31.113 1.00 0.00 ATOM 755 O GLY 97 10.970 11.375 29.063 1.00 0.00 ATOM 756 C GLY 97 11.005 12.429 29.676 1.00 0.00 ATOM 757 N GLN 98 11.596 13.519 29.208 1.00 0.00 ATOM 758 CA GLN 98 12.176 13.552 27.846 1.00 0.00 ATOM 759 CB GLN 98 11.821 14.865 27.144 1.00 0.00 ATOM 760 CG GLN 98 10.331 15.074 26.930 1.00 0.00 ATOM 761 CD GLN 98 9.725 14.027 26.015 1.00 0.00 ATOM 762 OE1 GLN 98 10.212 13.797 24.904 1.00 0.00 ATOM 763 NE2 GLN 98 8.656 13.389 26.476 1.00 0.00 ATOM 764 O GLN 98 14.380 13.980 28.731 1.00 0.00 ATOM 765 C GLN 98 13.706 13.382 27.894 1.00 0.00 ATOM 766 N LYS 99 14.192 12.484 27.053 1.00 0.00 ATOM 767 CA LYS 99 15.644 12.211 26.913 1.00 0.00 ATOM 768 CB LYS 99 15.848 10.863 26.221 1.00 0.00 ATOM 769 CG LYS 99 17.324 10.457 26.102 1.00 0.00 ATOM 770 CD LYS 99 17.407 9.099 25.390 1.00 0.00 ATOM 771 CE LYS 99 18.862 8.687 25.225 1.00 0.00 ATOM 772 NZ LYS 99 18.965 7.374 24.582 1.00 0.00 ATOM 773 O LYS 99 16.063 13.346 24.863 1.00 0.00 ATOM 774 C LYS 99 16.312 13.299 26.073 1.00 0.00 ATOM 775 N ASP 100 17.421 13.772 26.627 1.00 0.00 ATOM 776 CA ASP 100 18.216 14.782 25.916 1.00 0.00 ATOM 777 CB ASP 100 18.041 16.157 26.565 1.00 0.00 ATOM 778 CG ASP 100 16.755 16.875 26.181 1.00 0.00 ATOM 779 OD1 ASP 100 16.570 17.139 25.016 1.00 0.00 ATOM 780 OD2 ASP 100 15.902 17.014 27.023 1.00 0.00 ATOM 781 O ASP 100 20.372 14.305 26.872 1.00 0.00 ATOM 782 C ASP 100 19.700 14.472 25.844 1.00 0.00 ATOM 783 N PRO 101 20.117 14.126 24.631 1.00 0.00 ATOM 784 CA PRO 101 21.536 13.893 24.383 1.00 0.00 ATOM 785 CB PRO 101 21.514 12.498 23.758 1.00 0.00 ATOM 786 CG PRO 101 20.195 12.427 22.977 1.00 0.00 ATOM 787 CD PRO 101 19.277 13.472 23.608 1.00 0.00 ATOM 788 O PRO 101 21.545 15.343 22.445 1.00 0.00 ATOM 789 C PRO 101 22.095 15.003 23.486 1.00 0.00 ATOM 790 N LEU 102 23.159 15.623 23.985 1.00 0.00 ATOM 791 CA LEU 102 23.894 16.678 23.282 1.00 0.00 ATOM 792 CB LEU 102 23.958 17.944 24.145 1.00 0.00 ATOM 793 CG LEU 102 24.748 19.109 23.536 1.00 0.00 ATOM 794 CD1 LEU 102 24.035 19.633 22.297 1.00 0.00 ATOM 795 CD2 LEU 102 24.909 20.212 24.573 1.00 0.00 ATOM 796 O LEU 102 26.122 15.952 23.791 1.00 0.00 ATOM 797 C LEU 102 25.314 16.232 22.901 1.00 0.00 ATOM 798 N VAL 103 25.662 16.487 21.647 1.00 0.00 ATOM 799 CA VAL 103 27.010 16.165 21.141 1.00 0.00 ATOM 800 CB VAL 103 26.944 15.264 19.894 1.00 0.00 ATOM 801 CG1 VAL 103 28.343 14.858 19.455 1.00 0.00 ATOM 802 CG2 VAL 103 26.096 14.032 20.169 1.00 0.00 ATOM 803 O VAL 103 27.447 18.182 19.887 1.00 0.00 ATOM 804 C VAL 103 27.793 17.433 20.800 1.00 0.00 ATOM 805 N LYS 104 28.736 17.759 21.657 1.00 0.00 ATOM 806 CA LYS 104 29.524 18.985 21.500 1.00 0.00 ATOM 807 CB LYS 104 29.356 19.789 22.793 1.00 0.00 ATOM 808 CG LYS 104 29.901 21.218 22.742 1.00 0.00 ATOM 809 CD LYS 104 29.023 22.161 21.928 1.00 0.00 ATOM 810 CE LYS 104 29.597 23.562 21.964 1.00 0.00 ATOM 811 NZ LYS 104 30.863 23.560 21.268 1.00 0.00 ATOM 812 O LYS 104 31.570 17.781 21.850 1.00 0.00 ATOM 813 C LYS 104 30.977 18.642 21.193 1.00 0.00 ATOM 814 N GLU 105 31.596 19.547 20.445 1.00 0.00 ATOM 815 CA GLU 105 33.009 19.395 20.034 1.00 0.00 ATOM 816 CB GLU 105 33.478 20.631 19.263 1.00 0.00 ATOM 817 CG GLU 105 34.897 20.532 18.721 1.00 0.00 ATOM 818 CD GLU 105 35.276 21.768 17.954 1.00 0.00 ATOM 819 OE1 GLU 105 35.285 22.826 18.537 1.00 0.00 ATOM 820 OE2 GLU 105 35.666 21.642 16.818 1.00 0.00 ATOM 821 O GLU 105 33.766 19.887 22.275 1.00 0.00 ATOM 822 C GLU 105 33.861 19.160 21.277 1.00 0.00 ATOM 823 N LEU 106 34.695 18.150 21.151 1.00 0.00 ATOM 824 CA LEU 106 35.549 17.662 22.249 1.00 0.00 ATOM 825 CB LEU 106 36.393 16.472 21.775 1.00 0.00 ATOM 826 CG LEU 106 37.269 15.823 22.854 1.00 0.00 ATOM 827 CD1 LEU 106 36.395 15.278 23.976 1.00 0.00 ATOM 828 CD2 LEU 106 38.102 14.713 22.232 1.00 0.00 ATOM 829 O LEU 106 36.858 18.811 23.931 1.00 0.00 ATOM 830 C LEU 106 36.447 18.796 22.772 1.00 0.00 ATOM 831 N LYS 107 36.838 19.680 21.846 1.00 0.00 ATOM 832 CA LYS 107 37.760 20.787 22.127 1.00 0.00 ATOM 833 CB LYS 107 37.999 21.619 20.866 1.00 0.00 ATOM 834 CG LYS 107 38.788 20.901 19.779 1.00 0.00 ATOM 835 CD LYS 107 38.966 21.781 18.551 1.00 0.00 ATOM 836 CE LYS 107 39.774 21.073 17.474 1.00 0.00 ATOM 837 NZ LYS 107 39.940 21.916 16.258 1.00 0.00 ATOM 838 O LYS 107 38.086 22.563 23.675 1.00 0.00 ATOM 839 C LYS 107 37.308 21.726 23.235 1.00 0.00 ATOM 840 N LYS 108 35.999 21.709 23.488 1.00 0.00 ATOM 841 CA LYS 108 35.434 22.548 24.555 1.00 0.00 ATOM 842 CB LYS 108 34.334 23.453 23.999 1.00 0.00 ATOM 843 CG LYS 108 34.775 24.344 22.846 1.00 0.00 ATOM 844 CD LYS 108 35.653 25.487 23.335 1.00 0.00 ATOM 845 CE LYS 108 35.900 26.506 22.233 1.00 0.00 ATOM 846 NZ LYS 108 36.811 25.979 21.181 1.00 0.00 ATOM 847 O LYS 108 34.000 22.172 26.480 1.00 0.00 ATOM 848 C LYS 108 34.868 21.732 25.731 1.00 0.00 ATOM 849 N GLY 109 35.504 20.584 25.953 1.00 0.00 ATOM 850 CA GLY 109 35.170 19.664 27.066 1.00 0.00 ATOM 851 O GLY 109 34.335 20.148 29.277 1.00 0.00 ATOM 852 C GLY 109 35.243 20.312 28.461 1.00 0.00 ATOM 853 N THR 110 36.181 21.246 28.605 1.00 0.00 ATOM 854 CA THR 110 36.419 21.992 29.858 1.00 0.00 ATOM 855 CB THR 110 37.561 23.012 29.700 1.00 0.00 ATOM 856 CG2 THR 110 37.755 23.800 30.987 1.00 0.00 ATOM 857 OG1 THR 110 38.778 22.326 29.379 1.00 0.00 ATOM 858 O THR 110 34.676 22.370 31.374 1.00 0.00 ATOM 859 C THR 110 35.145 22.714 30.298 1.00 0.00 ATOM 860 N ASP 111 34.468 23.311 29.330 1.00 0.00 ATOM 861 CA ASP 111 33.228 24.072 29.594 1.00 0.00 ATOM 862 CB ASP 111 33.039 25.171 28.544 1.00 0.00 ATOM 863 CG ASP 111 34.016 26.332 28.668 1.00 0.00 ATOM 864 OD1 ASP 111 34.658 26.438 29.686 1.00 0.00 ATOM 865 OD2 ASP 111 34.229 27.009 27.690 1.00 0.00 ATOM 866 O ASP 111 31.018 23.430 30.324 1.00 0.00 ATOM 867 C ASP 111 31.994 23.160 29.618 1.00 0.00 ATOM 868 N VAL 112 32.058 22.025 28.902 1.00 0.00 ATOM 869 CA VAL 112 30.984 21.001 28.907 1.00 0.00 ATOM 870 CB VAL 112 31.198 19.908 27.828 1.00 0.00 ATOM 871 CG1 VAL 112 31.939 18.621 28.213 1.00 0.00 ATOM 872 CG2 VAL 112 29.859 19.526 27.234 1.00 0.00 ATOM 873 O VAL 112 29.660 20.268 30.791 1.00 0.00 ATOM 874 C VAL 112 30.777 20.405 30.302 1.00 0.00 ATOM 875 N VAL 113 31.918 20.147 30.923 1.00 0.00 ATOM 876 CA VAL 113 31.939 19.576 32.281 1.00 0.00 ATOM 877 CB VAL 113 33.370 19.206 32.716 1.00 0.00 ATOM 878 CG1 VAL 113 33.393 18.801 34.182 1.00 0.00 ATOM 879 CG2 VAL 113 33.918 18.085 31.846 1.00 0.00 ATOM 880 O VAL 113 30.595 20.201 34.170 1.00 0.00 ATOM 881 C VAL 113 31.331 20.595 33.253 1.00 0.00 ATOM 882 N GLY 114 31.564 21.872 32.976 1.00 0.00 ATOM 883 CA GLY 114 30.981 22.983 33.742 1.00 0.00 ATOM 884 O GLY 114 28.887 22.829 34.871 1.00 0.00 ATOM 885 C GLY 114 29.456 22.885 33.785 1.00 0.00 ATOM 886 N ILE 115 28.882 22.571 32.636 1.00 0.00 ATOM 887 CA ILE 115 27.421 22.360 32.494 1.00 0.00 ATOM 888 CB ILE 115 27.024 22.124 31.025 1.00 0.00 ATOM 889 CG1 ILE 115 27.133 23.426 30.226 1.00 0.00 ATOM 890 CG2 ILE 115 25.615 21.558 30.938 1.00 0.00 ATOM 891 CD1 ILE 115 27.024 23.235 28.731 1.00 0.00 ATOM 892 O ILE 115 25.966 21.295 34.063 1.00 0.00 ATOM 893 C ILE 115 26.951 21.176 33.336 1.00 0.00 ATOM 894 N GLN 116 27.645 20.057 33.193 1.00 0.00 ATOM 895 CA GLN 116 27.262 18.834 33.910 1.00 0.00 ATOM 896 CB GLN 116 28.237 17.698 33.589 1.00 0.00 ATOM 897 CG GLN 116 27.788 16.334 34.088 1.00 0.00 ATOM 898 CD GLN 116 28.083 16.132 35.562 1.00 0.00 ATOM 899 OE1 GLN 116 29.094 16.616 36.079 1.00 0.00 ATOM 900 NE2 GLN 116 27.202 15.411 36.247 1.00 0.00 ATOM 901 O GLN 116 26.273 18.748 36.119 1.00 0.00 ATOM 902 C GLN 116 27.230 19.101 35.427 1.00 0.00 ATOM 903 N LYS 117 28.268 19.764 35.921 1.00 0.00 ATOM 904 CA LYS 117 28.347 20.180 37.328 1.00 0.00 ATOM 905 CB LYS 117 29.699 20.834 37.617 1.00 0.00 ATOM 906 CG LYS 117 30.880 19.873 37.601 1.00 0.00 ATOM 907 CD LYS 117 32.186 20.594 37.894 1.00 0.00 ATOM 908 CE LYS 117 33.370 19.639 37.852 1.00 0.00 ATOM 909 NZ LYS 117 34.659 20.338 38.105 1.00 0.00 ATOM 910 O LYS 117 26.583 20.907 38.762 1.00 0.00 ATOM 911 C LYS 117 27.235 21.143 37.744 1.00 0.00 ATOM 912 N THR 118 27.016 22.157 36.916 1.00 0.00 ATOM 913 CA THR 118 26.015 23.223 37.158 1.00 0.00 ATOM 914 CB THR 118 26.090 24.246 36.008 1.00 0.00 ATOM 915 CG2 THR 118 25.049 25.368 36.048 1.00 0.00 ATOM 916 OG1 THR 118 27.374 24.832 35.992 1.00 0.00 ATOM 917 O THR 118 23.930 22.857 38.301 1.00 0.00 ATOM 918 C THR 118 24.603 22.660 37.289 1.00 0.00 ATOM 919 N ILE 119 24.216 21.858 36.296 1.00 0.00 ATOM 920 CA ILE 119 22.887 21.238 36.269 1.00 0.00 ATOM 921 CB ILE 119 22.598 20.625 34.886 1.00 0.00 ATOM 922 CG1 ILE 119 21.158 20.159 34.778 1.00 0.00 ATOM 923 CG2 ILE 119 23.526 19.450 34.559 1.00 0.00 ATOM 924 CD1 ILE 119 20.177 21.308 34.967 1.00 0.00 ATOM 925 O ILE 119 21.542 20.159 37.936 1.00 0.00 ATOM 926 C ILE 119 22.642 20.249 37.411 1.00 0.00 ATOM 927 N ALA 120 23.692 19.494 37.740 1.00 0.00 ATOM 928 CA ALA 120 23.656 18.503 38.828 1.00 0.00 ATOM 929 CB ALA 120 24.994 17.782 38.908 1.00 0.00 ATOM 930 O ALA 120 22.337 18.910 40.786 1.00 0.00 ATOM 931 C ALA 120 23.337 19.196 40.152 1.00 0.00 ATOM 932 N ASN 121 24.021 20.317 40.356 1.00 0.00 ATOM 933 CA ASN 121 23.781 21.196 41.502 1.00 0.00 ATOM 934 CB ASN 121 24.827 22.292 41.589 1.00 0.00 ATOM 935 CG ASN 121 26.176 21.808 42.042 1.00 0.00 ATOM 936 ND2 ASN 121 27.175 22.623 41.817 1.00 0.00 ATOM 937 OD1 ASN 121 26.301 20.741 42.655 1.00 0.00 ATOM 938 O ASN 121 21.751 21.938 42.534 1.00 0.00 ATOM 939 C ASN 121 22.387 21.836 41.498 1.00 0.00 ATOM 940 N PHE 122 21.928 22.258 40.317 1.00 0.00 ATOM 941 CA PHE 122 20.597 22.862 40.161 1.00 0.00 ATOM 942 CB PHE 122 20.421 23.408 38.742 1.00 0.00 ATOM 943 CG PHE 122 21.105 24.724 38.510 1.00 0.00 ATOM 944 CD1 PHE 122 21.554 25.487 39.578 1.00 0.00 ATOM 945 CD2 PHE 122 21.302 25.203 37.224 1.00 0.00 ATOM 946 CE1 PHE 122 22.184 26.699 39.365 1.00 0.00 ATOM 947 CE2 PHE 122 21.932 26.413 37.009 1.00 0.00 ATOM 948 CZ PHE 122 22.373 27.162 38.081 1.00 0.00 ATOM 949 O PHE 122 18.534 22.262 41.164 1.00 0.00 ATOM 950 C PHE 122 19.478 21.893 40.467 1.00 0.00 ATOM 951 N SER 123 19.569 20.707 39.879 1.00 0.00 ATOM 952 CA SER 123 18.588 19.641 40.131 1.00 0.00 ATOM 953 CB SER 123 18.852 18.461 39.215 1.00 0.00 ATOM 954 OG SER 123 20.081 17.846 39.492 1.00 0.00 ATOM 955 O SER 123 17.532 18.732 42.080 1.00 0.00 ATOM 956 C SER 123 18.584 19.166 41.590 1.00 0.00 ATOM 957 N LEU 124 19.759 19.137 42.198 1.00 0.00 ATOM 958 CA LEU 124 19.906 18.773 43.626 1.00 0.00 ATOM 959 CB LEU 124 21.386 18.557 43.968 1.00 0.00 ATOM 960 CG LEU 124 21.663 18.085 45.401 1.00 0.00 ATOM 961 CD1 LEU 124 21.084 16.693 45.614 1.00 0.00 ATOM 962 CD2 LEU 124 23.162 18.090 45.658 1.00 0.00 ATOM 963 O LEU 124 18.821 20.866 44.101 1.00 0.00 ATOM 964 C LEU 124 19.312 19.822 44.593 1.00 0.00 TER END