PFRMAT TS TARGET T0468 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 The SAM HMMs came up with only weak hits for this taret (best was METHOD 1xyiA with E-value 19.3), and those hits did not seem to lead to good METHOD full-length models, so I ended up working mainly with metaserver METHOD models. The BAKER-ROBETTA_TS5 model turned out to be the one I liked METHOD best and used most heavily in creating my models. METHOD METHOD Since T0467 and T0468 are quite similar sequences, I tried to find METHOD similar folds for both targets. I also tried using one of my favorite METHOD T0467 models as a template, but I did not get anything very useful that way. METHOD METHOD METHOD Model METHOD 1 T0468.try2-opt3.gromacs0.repack-nonPC.pdb # < MQAU1-opt3 < BAKER-ROBETTA_TS5 METHOD # best rosetta energy METHOD METHOD 2 T0468.try9-opt3.pdb # < chimera-try2-N34-Y35-try6 METHOD chimera-try2-N34-Y35-try6: METHOD M1-N34 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD Y35-K109 from T0468.try6-opt3.pdb METHOD try6-opt3 < try5-opt3.gromacs0 < align(1iv7A?) METHOD METHOD 3 T0468.try10-opt3.gromacs0.repack-nonPC.pdb # < chimera-try2-F51-R52-try6 METHOD chimera-try2-F51-R52-try6: METHOD M1-F51 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD R52-K109 from T0468.try6-opt3.pdb METHOD METHOD 4 T0468.try3-opt3.pdb # < align(1tupA+1yliA+1bqk+2uurA+1vpmA) METHOD METHOD 5 T0468.try4-opt3.pdb # < align(1vpmA?) METHOD REMARK 6 REMARK 6 T0468 model 3 Thu Jul 24 13:25:58 2008 MODEL 3 PARENT 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A REMARK 7 REMARK 7 ALLPARENTS 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A 1nfi_E 1nb5_I REMARK 7 ALLPARENTS 1fy7_A 1a87_A 1xyi_A 2bw2_A 1bb8 1c8c_A 3bdu_A REMARK 7 ALLPARENTS 2ra2_A 1azp_A 2z1c_A ATOM 1 N MET 1 15.155 35.297 39.608 1.00 0.00 ATOM 2 CA MET 1 14.518 35.826 38.399 1.00 0.00 ATOM 3 CB MET 1 15.144 37.165 38.016 1.00 0.00 ATOM 4 CG MET 1 14.462 37.869 36.853 1.00 0.00 ATOM 5 SD MET 1 15.185 39.483 36.495 1.00 0.00 ATOM 6 CE MET 1 16.760 39.000 35.794 1.00 0.00 ATOM 7 O MET 1 15.725 34.356 36.954 1.00 0.00 ATOM 8 C MET 1 14.632 34.839 37.245 1.00 0.00 ATOM 9 N GLU 2 13.440 34.426 36.811 1.00 0.00 ATOM 10 CA GLU 2 13.236 33.492 35.681 1.00 0.00 ATOM 11 CB GLU 2 11.742 33.268 35.435 1.00 0.00 ATOM 12 CG GLU 2 11.047 32.439 36.506 1.00 0.00 ATOM 13 CD GLU 2 9.569 32.344 36.248 1.00 0.00 ATOM 14 OE1 GLU 2 9.106 32.960 35.318 1.00 0.00 ATOM 15 OE2 GLU 2 8.920 31.568 36.909 1.00 0.00 ATOM 16 O GLU 2 14.491 33.213 33.649 1.00 0.00 ATOM 17 C GLU 2 13.904 33.997 34.390 1.00 0.00 ATOM 18 N ARG 3 13.874 35.308 34.203 1.00 0.00 ATOM 19 CA ARG 3 14.558 35.956 33.064 1.00 0.00 ATOM 20 CB ARG 3 14.100 37.393 32.862 1.00 0.00 ATOM 21 CG ARG 3 14.697 38.090 31.649 1.00 0.00 ATOM 22 CD ARG 3 14.210 39.477 31.439 1.00 0.00 ATOM 23 NE ARG 3 14.806 40.161 30.303 1.00 0.00 ATOM 24 CZ ARG 3 14.509 41.419 29.924 1.00 0.00 ATOM 25 NH1 ARG 3 13.600 42.121 30.561 1.00 0.00 ATOM 26 NH2 ARG 3 15.141 41.921 28.877 1.00 0.00 ATOM 27 O ARG 3 16.615 36.213 34.285 1.00 0.00 ATOM 28 C ARG 3 16.071 35.849 33.242 1.00 0.00 ATOM 29 N ALA 4 16.716 35.514 32.138 1.00 0.00 ATOM 30 CA ALA 4 18.183 35.425 32.058 1.00 0.00 ATOM 31 CB ALA 4 18.448 34.629 30.795 1.00 0.00 ATOM 32 O ALA 4 18.588 37.570 31.037 1.00 0.00 ATOM 33 C ALA 4 18.834 36.804 31.971 1.00 0.00 ATOM 34 N SER 5 19.570 37.155 33.018 1.00 0.00 ATOM 35 CA SER 5 20.313 38.437 33.022 1.00 0.00 ATOM 36 CB SER 5 20.600 38.895 34.449 1.00 0.00 ATOM 37 OG SER 5 21.397 40.079 34.438 1.00 0.00 ATOM 38 O SER 5 22.392 37.319 32.581 1.00 0.00 ATOM 39 C SER 5 21.641 38.239 32.280 1.00 0.00 ATOM 40 N LEU 6 21.786 39.017 31.217 1.00 0.00 ATOM 41 CA LEU 6 22.991 38.965 30.385 1.00 0.00 ATOM 42 CB LEU 6 22.546 39.510 29.032 1.00 0.00 ATOM 43 CG LEU 6 23.580 39.312 27.935 1.00 0.00 ATOM 44 CD1 LEU 6 23.699 37.828 27.574 1.00 0.00 ATOM 45 CD2 LEU 6 23.145 40.150 26.741 1.00 0.00 ATOM 46 O LEU 6 23.843 40.882 31.530 1.00 0.00 ATOM 47 C LEU 6 24.101 39.792 31.043 1.00 0.00 ATOM 48 N ASN 7 25.263 39.165 31.232 1.00 0.00 ATOM 49 CA ASN 7 26.432 39.805 31.864 1.00 0.00 ATOM 50 CB ASN 7 26.607 39.346 33.300 1.00 0.00 ATOM 51 CG ASN 7 25.474 39.743 34.204 1.00 0.00 ATOM 52 ND2 ASN 7 24.720 38.762 34.630 1.00 0.00 ATOM 53 OD1 ASN 7 25.329 40.915 34.573 1.00 0.00 ATOM 54 O ASN 7 27.831 38.551 30.370 1.00 0.00 ATOM 55 C ASN 7 27.717 39.551 31.079 1.00 0.00 ATOM 56 N ARG 8 28.645 40.494 31.198 1.00 0.00 ATOM 57 CA ARG 8 29.895 40.439 30.412 1.00 0.00 ATOM 58 CB ARG 8 30.524 41.813 30.240 1.00 0.00 ATOM 59 CG ARG 8 31.669 41.871 29.241 1.00 0.00 ATOM 60 CD ARG 8 32.134 43.245 28.921 1.00 0.00 ATOM 61 NE ARG 8 32.936 43.868 29.963 1.00 0.00 ATOM 62 CZ ARG 8 33.408 45.129 29.913 1.00 0.00 ATOM 63 NH1 ARG 8 33.195 45.891 28.864 1.00 0.00 ATOM 64 NH2 ARG 8 34.113 45.572 30.939 1.00 0.00 ATOM 65 O ARG 8 30.917 39.309 32.238 1.00 0.00 ATOM 66 C ARG 8 30.878 39.442 31.019 1.00 0.00 ATOM 67 N ILE 9 31.525 38.729 30.122 1.00 0.00 ATOM 68 CA ILE 9 32.619 37.803 30.428 1.00 0.00 ATOM 69 CB ILE 9 32.023 36.404 30.703 1.00 0.00 ATOM 70 CG1 ILE 9 33.110 35.539 31.340 1.00 0.00 ATOM 71 CG2 ILE 9 31.392 35.768 29.462 1.00 0.00 ATOM 72 CD1 ILE 9 32.549 34.255 31.929 1.00 0.00 ATOM 73 O ILE 9 33.341 38.254 28.161 1.00 0.00 ATOM 74 C ILE 9 33.644 37.832 29.277 1.00 0.00 ATOM 75 N GLY 10 34.863 37.413 29.601 1.00 0.00 ATOM 76 CA GLY 10 35.967 37.386 28.617 1.00 0.00 ATOM 77 O GLY 10 36.066 39.841 28.518 1.00 0.00 ATOM 78 C GLY 10 36.134 38.774 27.937 1.00 0.00 ATOM 79 N LYS 11 36.235 38.712 26.622 1.00 0.00 ATOM 80 CA LYS 11 36.392 39.943 25.820 1.00 0.00 ATOM 81 CB LYS 11 37.022 39.622 24.463 1.00 0.00 ATOM 82 CG LYS 11 37.271 40.838 23.581 1.00 0.00 ATOM 83 CD LYS 11 37.954 40.447 22.280 1.00 0.00 ATOM 84 CE LYS 11 38.203 41.662 21.398 1.00 0.00 ATOM 85 NZ LYS 11 38.864 41.294 20.117 1.00 0.00 ATOM 86 O LYS 11 34.832 41.769 26.093 1.00 0.00 ATOM 87 C LYS 11 35.059 40.666 25.610 1.00 0.00 ATOM 88 N ASP 12 34.228 40.032 24.790 1.00 0.00 ATOM 89 CA ASP 12 32.953 40.596 24.334 1.00 0.00 ATOM 90 CB ASP 12 33.090 41.157 22.917 1.00 0.00 ATOM 91 CG ASP 12 33.450 40.119 21.862 1.00 0.00 ATOM 92 OD1 ASP 12 33.593 38.971 22.210 1.00 0.00 ATOM 93 OD2 ASP 12 33.427 40.449 20.701 1.00 0.00 ATOM 94 O ASP 12 30.728 39.812 23.848 1.00 0.00 ATOM 95 C ASP 12 31.815 39.565 24.369 1.00 0.00 ATOM 96 N VAL 13 31.998 38.512 25.157 1.00 0.00 ATOM 97 CA VAL 13 30.951 37.488 25.338 1.00 0.00 ATOM 98 CB VAL 13 31.559 36.088 25.548 1.00 0.00 ATOM 99 CG1 VAL 13 30.464 35.069 25.826 1.00 0.00 ATOM 100 CG2 VAL 13 32.375 35.674 24.332 1.00 0.00 ATOM 101 O VAL 13 30.569 38.096 27.639 1.00 0.00 ATOM 102 C VAL 13 30.090 37.884 26.532 1.00 0.00 ATOM 103 N TYR 14 28.799 37.679 26.345 1.00 0.00 ATOM 104 CA TYR 14 27.829 37.832 27.424 1.00 0.00 ATOM 105 CB TYR 14 26.854 38.936 27.024 1.00 0.00 ATOM 106 CG TYR 14 27.492 40.332 26.958 1.00 0.00 ATOM 107 CD1 TYR 14 28.038 40.769 25.763 1.00 0.00 ATOM 108 CD2 TYR 14 27.510 41.158 28.069 1.00 0.00 ATOM 109 CE1 TYR 14 28.628 42.031 25.704 1.00 0.00 ATOM 110 CE2 TYR 14 28.092 42.411 27.998 1.00 0.00 ATOM 111 CZ TYR 14 28.656 42.838 26.815 1.00 0.00 ATOM 112 OH TYR 14 29.326 43.999 26.784 1.00 0.00 ATOM 113 O TYR 14 26.999 35.648 26.838 1.00 0.00 ATOM 114 C TYR 14 27.139 36.497 27.715 1.00 0.00 ATOM 115 N TYR 15 26.808 36.302 28.988 1.00 0.00 ATOM 116 CA TYR 15 26.122 35.079 29.446 1.00 0.00 ATOM 117 CB TYR 15 27.004 34.270 30.388 1.00 0.00 ATOM 118 CG TYR 15 27.299 34.972 31.714 1.00 0.00 ATOM 119 CD1 TYR 15 26.485 34.774 32.831 1.00 0.00 ATOM 120 CD2 TYR 15 28.445 35.744 31.821 1.00 0.00 ATOM 121 CE1 TYR 15 26.839 35.341 34.047 1.00 0.00 ATOM 122 CE2 TYR 15 28.800 36.312 33.026 1.00 0.00 ATOM 123 CZ TYR 15 27.996 36.105 34.143 1.00 0.00 ATOM 124 OH TYR 15 28.387 36.658 35.311 1.00 0.00 ATOM 125 O TYR 15 24.684 36.485 30.750 1.00 0.00 ATOM 126 C TYR 15 24.814 35.422 30.158 1.00 0.00 ATOM 127 N MET 16 23.944 34.420 30.222 1.00 0.00 ATOM 128 CA MET 16 22.639 34.569 30.869 1.00 0.00 ATOM 129 CB MET 16 21.586 34.076 29.885 1.00 0.00 ATOM 130 CG MET 16 21.376 35.052 28.718 1.00 0.00 ATOM 131 SD MET 16 19.958 34.571 27.666 1.00 0.00 ATOM 132 CE MET 16 20.606 33.067 26.986 1.00 0.00 ATOM 133 O MET 16 22.732 32.570 32.209 1.00 0.00 ATOM 134 C MET 16 22.551 33.794 32.184 1.00 0.00 ATOM 135 N GLN 17 22.364 34.546 33.259 1.00 0.00 ATOM 136 CA GLN 17 22.196 33.967 34.598 1.00 0.00 ATOM 137 CB GLN 17 22.955 34.794 35.639 1.00 0.00 ATOM 138 CG GLN 17 22.895 34.229 37.048 1.00 0.00 ATOM 139 CD GLN 17 23.707 35.046 38.034 1.00 0.00 ATOM 140 OE1 GLN 17 24.394 36.000 37.656 1.00 0.00 ATOM 141 NE2 GLN 17 23.637 34.676 39.307 1.00 0.00 ATOM 142 O GLN 17 20.008 34.935 34.904 1.00 0.00 ATOM 143 C GLN 17 20.701 33.915 34.911 1.00 0.00 ATOM 144 N ILE 18 20.257 32.701 35.219 1.00 0.00 ATOM 145 CA ILE 18 18.827 32.375 35.404 1.00 0.00 ATOM 146 CB ILE 18 18.320 31.414 34.313 1.00 0.00 ATOM 147 CG1 ILE 18 18.475 32.049 32.929 1.00 0.00 ATOM 148 CG2 ILE 18 16.870 31.035 34.570 1.00 0.00 ATOM 149 CD1 ILE 18 18.186 31.101 31.787 1.00 0.00 ATOM 150 O ILE 18 19.328 30.799 37.145 1.00 0.00 ATOM 151 C ILE 18 18.654 31.760 36.789 1.00 0.00 ATOM 152 N LYS 19 17.792 32.396 37.576 1.00 0.00 ATOM 153 CA LYS 19 17.498 31.899 38.939 1.00 0.00 ATOM 154 CB LYS 19 18.029 32.900 39.957 1.00 0.00 ATOM 155 CG LYS 19 17.735 32.425 41.384 1.00 0.00 ATOM 156 CD LYS 19 18.166 33.474 42.385 1.00 0.00 ATOM 157 CE LYS 19 18.076 32.939 43.811 1.00 0.00 ATOM 158 NZ LYS 19 18.539 33.888 44.814 1.00 0.00 ATOM 159 O LYS 19 15.200 32.579 39.001 1.00 0.00 ATOM 160 C LYS 19 16.010 31.668 39.159 1.00 0.00 ATOM 161 N GLY 20 15.694 30.501 39.704 1.00 0.00 ATOM 162 CA GLY 20 14.301 30.133 40.000 1.00 0.00 ATOM 163 O GLY 20 15.198 28.691 41.699 1.00 0.00 ATOM 164 C GLY 20 14.196 29.173 41.178 1.00 0.00 ATOM 165 N GLU 21 12.957 29.057 41.619 1.00 0.00 ATOM 166 CA GLU 21 12.636 28.248 42.797 1.00 0.00 ATOM 167 CB GLU 21 12.571 29.127 44.048 1.00 0.00 ATOM 168 CG GLU 21 12.250 28.372 45.330 1.00 0.00 ATOM 169 CD GLU 21 12.281 29.285 46.524 1.00 0.00 ATOM 170 OE1 GLU 21 12.581 30.443 46.356 1.00 0.00 ATOM 171 OE2 GLU 21 11.896 28.855 47.586 1.00 0.00 ATOM 172 O GLU 21 10.378 27.993 42.006 1.00 0.00 ATOM 173 C GLU 21 11.318 27.497 42.619 1.00 0.00 ATOM 174 N GLY 22 11.363 26.281 43.114 1.00 0.00 ATOM 175 CA GLY 22 10.205 25.384 43.123 1.00 0.00 ATOM 176 O GLY 22 11.761 23.531 43.334 1.00 0.00 ATOM 177 C GLY 22 10.624 23.965 43.510 1.00 0.00 ATOM 178 N THR 23 9.636 23.258 44.012 1.00 0.00 ATOM 179 CA THR 23 9.806 21.864 44.441 1.00 0.00 ATOM 180 CB THR 23 9.379 21.662 45.904 1.00 0.00 ATOM 181 CG2 THR 23 10.341 22.377 46.853 1.00 0.00 ATOM 182 OG1 THR 23 8.027 22.124 46.106 1.00 0.00 ATOM 183 O THR 23 8.353 20.011 43.986 1.00 0.00 ATOM 184 C THR 23 9.029 20.922 43.519 1.00 0.00 ATOM 185 N ILE 24 9.005 21.215 42.231 1.00 0.00 ATOM 186 CA ILE 24 8.345 20.335 41.251 1.00 0.00 ATOM 187 CB ILE 24 8.231 21.037 39.879 1.00 0.00 ATOM 188 CG1 ILE 24 9.623 21.346 39.310 1.00 0.00 ATOM 189 CG2 ILE 24 7.361 22.294 40.011 1.00 0.00 ATOM 190 CD1 ILE 24 9.607 21.819 37.863 1.00 0.00 ATOM 191 O ILE 24 10.292 18.910 41.394 1.00 0.00 ATOM 192 C ILE 24 9.080 18.986 41.161 1.00 0.00 ATOM 193 N GLU 25 8.368 17.947 40.743 1.00 0.00 ATOM 194 CA GLU 25 8.934 16.592 40.559 1.00 0.00 ATOM 195 CB GLU 25 7.830 15.593 40.206 1.00 0.00 ATOM 196 CG GLU 25 6.882 15.272 41.353 1.00 0.00 ATOM 197 CD GLU 25 5.778 14.354 40.909 1.00 0.00 ATOM 198 OE1 GLU 25 5.721 14.045 39.742 1.00 0.00 ATOM 199 OE2 GLU 25 5.059 13.870 41.752 1.00 0.00 ATOM 200 O GLU 25 10.817 15.624 39.460 1.00 0.00 ATOM 201 C GLU 25 10.022 16.545 39.478 1.00 0.00 ATOM 202 N LYS 26 10.015 17.537 38.594 1.00 0.00 ATOM 203 CA LYS 26 10.948 17.571 37.453 1.00 0.00 ATOM 204 CB LYS 26 10.349 18.372 36.295 1.00 0.00 ATOM 205 CG LYS 26 9.088 17.763 35.695 1.00 0.00 ATOM 206 CD LYS 26 9.374 16.408 35.065 1.00 0.00 ATOM 207 CE LYS 26 8.125 15.816 34.430 1.00 0.00 ATOM 208 NZ LYS 26 8.400 14.513 33.767 1.00 0.00 ATOM 209 O LYS 26 13.228 18.241 36.966 1.00 0.00 ATOM 210 C LYS 26 12.338 18.164 37.803 1.00 0.00 ATOM 211 N VAL 27 12.518 18.494 39.078 1.00 0.00 ATOM 212 CA VAL 27 13.804 18.990 39.616 1.00 0.00 ATOM 213 CB VAL 27 13.686 20.441 40.116 1.00 0.00 ATOM 214 CG1 VAL 27 13.174 21.347 39.007 1.00 0.00 ATOM 215 CG2 VAL 27 12.769 20.515 41.328 1.00 0.00 ATOM 216 O VAL 27 13.466 17.449 41.433 1.00 0.00 ATOM 217 C VAL 27 14.278 18.089 40.757 1.00 0.00 ATOM 218 N ASP 28 15.551 18.234 41.097 1.00 0.00 ATOM 219 CA ASP 28 16.069 17.485 42.252 1.00 0.00 ATOM 220 CB ASP 28 17.286 16.649 41.847 1.00 0.00 ATOM 221 CG ASP 28 16.994 15.579 40.803 1.00 0.00 ATOM 222 OD1 ASP 28 16.081 14.813 41.005 1.00 0.00 ATOM 223 OD2 ASP 28 17.578 15.633 39.747 1.00 0.00 ATOM 224 O ASP 28 17.355 18.028 44.260 1.00 0.00 ATOM 225 C ASP 28 16.467 18.346 43.459 1.00 0.00 ATOM 226 N GLY 29 15.753 19.460 43.584 1.00 0.00 ATOM 227 CA GLY 29 15.856 20.388 44.719 1.00 0.00 ATOM 228 O GLY 29 13.832 21.472 44.025 1.00 0.00 ATOM 229 C GLY 29 14.837 21.514 44.713 1.00 0.00 ATOM 230 N ARG 30 15.156 22.523 45.501 1.00 0.00 ATOM 231 CA ARG 30 14.265 23.657 45.818 1.00 0.00 ATOM 232 CB ARG 30 14.235 23.965 47.308 1.00 0.00 ATOM 233 CG ARG 30 13.288 25.083 47.711 1.00 0.00 ATOM 234 CD ARG 30 13.192 25.307 49.176 1.00 0.00 ATOM 235 NE ARG 30 12.303 26.390 49.563 1.00 0.00 ATOM 236 CZ ARG 30 12.113 26.808 50.830 1.00 0.00 ATOM 237 NH1 ARG 30 12.716 26.215 51.837 1.00 0.00 ATOM 238 NH2 ARG 30 11.283 27.816 51.038 1.00 0.00 ATOM 239 O ARG 30 13.856 25.521 44.308 1.00 0.00 ATOM 240 C ARG 30 14.660 24.882 44.976 1.00 0.00 ATOM 241 N ASN 31 15.954 25.202 45.046 1.00 0.00 ATOM 242 CA ASN 31 16.520 26.374 44.373 1.00 0.00 ATOM 243 CB ASN 31 17.319 27.234 45.335 1.00 0.00 ATOM 244 CG ASN 31 17.942 28.443 44.691 1.00 0.00 ATOM 245 ND2 ASN 31 17.103 29.361 44.285 1.00 0.00 ATOM 246 OD1 ASN 31 19.170 28.575 44.629 1.00 0.00 ATOM 247 O ASN 31 18.258 25.088 43.357 1.00 0.00 ATOM 248 C ASN 31 17.379 25.936 43.193 1.00 0.00 ATOM 249 N LEU 32 17.064 26.551 42.058 1.00 0.00 ATOM 250 CA LEU 32 17.739 26.277 40.793 1.00 0.00 ATOM 251 CB LEU 32 16.740 25.707 39.796 1.00 0.00 ATOM 252 CG LEU 32 16.241 24.298 40.103 1.00 0.00 ATOM 253 CD1 LEU 32 15.214 24.019 39.027 1.00 0.00 ATOM 254 CD2 LEU 32 17.348 23.227 40.189 1.00 0.00 ATOM 255 O LEU 32 17.686 28.622 40.203 1.00 0.00 ATOM 256 C LEU 32 18.304 27.554 40.173 1.00 0.00 ATOM 257 N ARG 33 19.533 27.441 39.703 1.00 0.00 ATOM 258 CA ARG 33 20.185 28.518 38.928 1.00 0.00 ATOM 259 CB ARG 33 20.889 29.526 39.825 1.00 0.00 ATOM 260 CG ARG 33 21.842 30.467 39.107 1.00 0.00 ATOM 261 CD ARG 33 22.725 31.251 40.008 1.00 0.00 ATOM 262 NE ARG 33 22.027 32.211 40.848 1.00 0.00 ATOM 263 CZ ARG 33 22.533 32.753 41.973 1.00 0.00 ATOM 264 NH1 ARG 33 23.720 32.406 42.417 1.00 0.00 ATOM 265 NH2 ARG 33 21.792 33.626 42.634 1.00 0.00 ATOM 266 O ARG 33 21.903 26.987 38.184 1.00 0.00 ATOM 267 C ARG 33 21.120 27.895 37.898 1.00 0.00 ATOM 268 N ASN 34 21.003 28.472 36.724 1.00 0.00 ATOM 269 CA ASN 34 21.816 28.058 35.581 1.00 0.00 ATOM 270 CB ASN 34 21.001 27.263 34.579 1.00 0.00 ATOM 271 CG ASN 34 19.994 28.089 33.827 1.00 0.00 ATOM 272 ND2 ASN 34 18.774 28.055 34.296 1.00 0.00 ATOM 273 OD1 ASN 34 20.334 28.805 32.877 1.00 0.00 ATOM 274 O ASN 34 22.159 30.415 35.127 1.00 0.00 ATOM 275 C ASN 34 22.476 29.248 34.882 1.00 0.00 ATOM 276 N TYR 35 23.445 28.872 34.070 1.00 0.00 ATOM 277 CA TYR 35 24.231 29.780 33.241 1.00 0.00 ATOM 278 CB TYR 35 25.648 29.925 33.801 1.00 0.00 ATOM 279 CG TYR 35 25.700 30.515 35.192 1.00 0.00 ATOM 280 CD1 TYR 35 25.689 29.698 36.313 1.00 0.00 ATOM 281 CD2 TYR 35 25.762 31.887 35.382 1.00 0.00 ATOM 282 CE1 TYR 35 25.735 30.231 37.587 1.00 0.00 ATOM 283 CE2 TYR 35 25.810 32.432 36.650 1.00 0.00 ATOM 284 CZ TYR 35 25.796 31.600 37.751 1.00 0.00 ATOM 285 OH TYR 35 25.845 32.136 39.017 1.00 0.00 ATOM 286 O TYR 35 24.812 28.206 31.517 1.00 0.00 ATOM 287 C TYR 35 24.280 29.289 31.794 1.00 0.00 ATOM 288 N THR 36 23.806 30.131 30.890 1.00 0.00 ATOM 289 CA THR 36 23.949 29.855 29.452 1.00 0.00 ATOM 290 CB THR 36 22.598 29.950 28.720 1.00 0.00 ATOM 291 CG2 THR 36 22.777 29.689 27.233 1.00 0.00 ATOM 292 OG1 THR 36 21.687 28.985 29.264 1.00 0.00 ATOM 293 O THR 36 24.743 32.071 28.898 1.00 0.00 ATOM 294 C THR 36 24.952 30.854 28.866 1.00 0.00 ATOM 295 N LEU 37 26.054 30.295 28.374 1.00 0.00 ATOM 296 CA LEU 37 27.136 31.089 27.764 1.00 0.00 ATOM 297 CB LEU 37 28.472 30.780 28.450 1.00 0.00 ATOM 298 CG LEU 37 29.596 31.788 28.174 1.00 0.00 ATOM 299 CD1 LEU 37 30.589 31.790 29.327 1.00 0.00 ATOM 300 CD2 LEU 37 30.288 31.431 26.867 1.00 0.00 ATOM 301 O LEU 37 27.645 29.714 25.861 1.00 0.00 ATOM 302 C LEU 37 27.218 30.808 26.256 1.00 0.00 ATOM 303 N PRO 38 26.618 31.684 25.451 1.00 0.00 ATOM 304 CA PRO 38 26.728 31.650 23.987 1.00 0.00 ATOM 305 CB PRO 38 25.700 32.653 23.487 1.00 0.00 ATOM 306 CG PRO 38 25.627 33.664 24.630 1.00 0.00 ATOM 307 CD PRO 38 25.714 32.785 25.864 1.00 0.00 ATOM 308 O PRO 38 28.711 32.987 24.144 1.00 0.00 ATOM 309 C PRO 38 28.120 32.095 23.547 1.00 0.00 ATOM 310 N ALA 39 28.549 31.499 22.443 1.00 0.00 ATOM 311 CA ALA 39 29.828 31.861 21.805 1.00 0.00 ATOM 312 CB ALA 39 30.998 31.337 22.658 1.00 0.00 ATOM 313 O ALA 39 29.343 30.285 20.050 1.00 0.00 ATOM 314 C ALA 39 29.898 31.339 20.367 1.00 0.00 ATOM 315 N TYR 40 30.432 32.154 19.472 1.00 0.00 ATOM 316 CA TYR 40 30.635 31.776 18.059 1.00 0.00 ATOM 317 CB TYR 40 30.919 33.016 17.209 1.00 0.00 ATOM 318 CG TYR 40 31.157 32.715 15.746 1.00 0.00 ATOM 319 CD1 TYR 40 30.101 32.395 14.904 1.00 0.00 ATOM 320 CD2 TYR 40 32.436 32.753 15.210 1.00 0.00 ATOM 321 CE1 TYR 40 30.313 32.118 13.567 1.00 0.00 ATOM 322 CE2 TYR 40 32.659 32.479 13.875 1.00 0.00 ATOM 323 CZ TYR 40 31.594 32.161 13.055 1.00 0.00 ATOM 324 OH TYR 40 31.811 31.889 11.725 1.00 0.00 ATOM 325 O TYR 40 32.800 30.912 18.647 1.00 0.00 ATOM 326 C TYR 40 31.786 30.768 17.966 1.00 0.00 ATOM 327 N ASP 41 31.538 29.732 17.174 1.00 0.00 ATOM 328 CA ASP 41 32.570 28.718 16.921 1.00 0.00 ATOM 329 CB ASP 41 32.128 27.387 17.530 1.00 0.00 ATOM 330 CG ASP 41 33.317 26.535 18.010 1.00 0.00 ATOM 331 OD1 ASP 41 34.465 26.792 17.615 1.00 0.00 ATOM 332 OD2 ASP 41 33.068 25.598 18.765 1.00 0.00 ATOM 333 O ASP 41 32.334 29.366 14.602 1.00 0.00 ATOM 334 C ASP 41 32.850 28.597 15.408 1.00 0.00 ATOM 335 N GLU 42 33.643 27.595 15.054 1.00 0.00 ATOM 336 CA GLU 42 33.983 27.260 13.665 1.00 0.00 ATOM 337 CB GLU 42 35.070 26.184 13.625 1.00 0.00 ATOM 338 CG GLU 42 36.420 26.634 14.165 1.00 0.00 ATOM 339 CD GLU 42 37.093 27.595 13.224 1.00 0.00 ATOM 340 OE1 GLU 42 36.566 27.823 12.162 1.00 0.00 ATOM 341 OE2 GLU 42 38.072 28.188 13.612 1.00 0.00 ATOM 342 O GLU 42 31.638 26.695 13.496 1.00 0.00 ATOM 343 C GLU 42 32.732 26.799 12.933 1.00 0.00 ATOM 344 N ASP 43 32.955 26.517 11.657 1.00 0.00 ATOM 345 CA ASP 43 31.954 25.926 10.748 1.00 0.00 ATOM 346 CB ASP 43 31.445 24.593 11.305 1.00 0.00 ATOM 347 CG ASP 43 32.511 23.512 11.420 1.00 0.00 ATOM 348 OD1 ASP 43 33.219 23.299 10.465 1.00 0.00 ATOM 349 OD2 ASP 43 32.713 23.020 12.504 1.00 0.00 ATOM 350 O ASP 43 29.706 26.440 10.106 1.00 0.00 ATOM 351 C ASP 43 30.779 26.881 10.517 1.00 0.00 ATOM 352 N GLY 44 31.024 28.173 10.761 1.00 0.00 ATOM 353 CA GLY 44 30.046 29.268 10.604 1.00 0.00 ATOM 354 O GLY 44 27.662 29.437 11.029 1.00 0.00 ATOM 355 C GLY 44 28.767 29.074 11.436 1.00 0.00 ATOM 356 N VAL 45 28.951 28.527 12.633 1.00 0.00 ATOM 357 CA VAL 45 27.829 28.296 13.573 1.00 0.00 ATOM 358 CB VAL 45 27.405 26.819 13.637 1.00 0.00 ATOM 359 CG1 VAL 45 26.898 26.292 12.284 1.00 0.00 ATOM 360 CG2 VAL 45 28.534 25.987 14.264 1.00 0.00 ATOM 361 O VAL 45 29.288 29.257 15.269 1.00 0.00 ATOM 362 C VAL 45 28.168 28.830 14.975 1.00 0.00 ATOM 363 N LYS 46 27.152 28.815 15.834 1.00 0.00 ATOM 364 CA LYS 46 27.292 29.250 17.238 1.00 0.00 ATOM 365 CB LYS 46 26.338 30.408 17.539 1.00 0.00 ATOM 366 CG LYS 46 26.647 31.689 16.777 1.00 0.00 ATOM 367 CD LYS 46 25.685 32.804 17.158 1.00 0.00 ATOM 368 CE LYS 46 26.005 34.092 16.413 1.00 0.00 ATOM 369 NZ LYS 46 25.088 35.200 16.797 1.00 0.00 ATOM 370 O LYS 46 26.185 27.239 17.898 1.00 0.00 ATOM 371 C LYS 46 27.032 28.088 18.187 1.00 0.00 ATOM 372 N LYS 47 27.680 28.150 19.339 1.00 0.00 ATOM 373 CA LYS 47 27.460 27.158 20.406 1.00 0.00 ATOM 374 CB LYS 47 28.692 26.263 20.581 1.00 0.00 ATOM 375 CG LYS 47 28.937 25.456 19.314 1.00 0.00 ATOM 376 CD LYS 47 30.125 24.533 19.449 1.00 0.00 ATOM 377 CE LYS 47 30.347 23.835 18.111 1.00 0.00 ATOM 378 NZ LYS 47 31.693 23.287 18.121 1.00 0.00 ATOM 379 O LYS 47 27.661 28.874 22.069 1.00 0.00 ATOM 380 C LYS 47 27.148 27.812 21.747 1.00 0.00 ATOM 381 N GLN 48 26.258 27.152 22.481 1.00 0.00 ATOM 382 CA GLN 48 25.869 27.642 23.822 1.00 0.00 ATOM 383 CB GLN 48 24.396 28.059 23.834 1.00 0.00 ATOM 384 CG GLN 48 24.076 29.238 22.932 1.00 0.00 ATOM 385 CD GLN 48 22.614 29.640 23.001 1.00 0.00 ATOM 386 OE1 GLN 48 21.828 29.048 23.746 1.00 0.00 ATOM 387 NE2 GLN 48 22.241 30.646 22.219 1.00 0.00 ATOM 388 O GLN 48 25.741 25.418 24.677 1.00 0.00 ATOM 389 C GLN 48 26.118 26.570 24.870 1.00 0.00 ATOM 390 N ILE 49 26.791 26.978 25.926 1.00 0.00 ATOM 391 CA ILE 49 27.108 26.064 27.034 1.00 0.00 ATOM 392 CB ILE 49 28.588 26.170 27.446 1.00 0.00 ATOM 393 CG1 ILE 49 29.497 25.814 26.268 1.00 0.00 ATOM 394 CG2 ILE 49 28.873 25.264 28.635 1.00 0.00 ATOM 395 CD1 ILE 49 30.961 26.094 26.522 1.00 0.00 ATOM 396 O ILE 49 26.259 27.518 28.748 1.00 0.00 ATOM 397 C ILE 49 26.182 26.421 28.194 1.00 0.00 ATOM 398 N THR 50 25.273 25.504 28.457 1.00 0.00 ATOM 399 CA THR 50 24.273 25.687 29.526 1.00 0.00 ATOM 400 CB THR 50 22.850 25.372 29.028 1.00 0.00 ATOM 401 CG2 THR 50 22.494 26.252 27.840 1.00 0.00 ATOM 402 OG1 THR 50 22.770 23.994 28.641 1.00 0.00 ATOM 403 O THR 50 24.652 23.563 30.573 1.00 0.00 ATOM 404 C THR 50 24.631 24.787 30.702 1.00 0.00 ATOM 405 N PHE 51 24.925 25.443 31.819 1.00 0.00 ATOM 406 CA PHE 51 25.205 24.761 33.082 1.00 0.00 ATOM 407 CB PHE 51 26.414 25.342 33.804 1.00 0.00 ATOM 408 CG PHE 51 27.705 25.156 33.038 1.00 0.00 ATOM 409 CD1 PHE 51 28.294 23.901 32.961 1.00 0.00 ATOM 410 CD2 PHE 51 28.299 26.268 32.463 1.00 0.00 ATOM 411 CE1 PHE 51 29.498 23.769 32.302 1.00 0.00 ATOM 412 CE2 PHE 51 29.503 26.126 31.803 1.00 0.00 ATOM 413 CZ PHE 51 30.104 24.872 31.717 1.00 0.00 ATOM 414 O PHE 51 23.682 26.085 34.365 1.00 0.00 ATOM 415 C PHE 51 24.064 24.967 34.074 1.00 0.00 ATOM 416 N ARG 52 23.780 23.868 34.743 1.00 0.00 ATOM 417 CA ARG 52 22.958 23.870 35.955 1.00 0.00 ATOM 418 CB ARG 52 21.777 22.918 35.849 1.00 0.00 ATOM 419 CG ARG 52 20.586 23.459 35.075 1.00 0.00 ATOM 420 CD ARG 52 20.756 23.448 33.600 1.00 0.00 ATOM 421 NE ARG 52 19.553 23.770 32.852 1.00 0.00 ATOM 422 CZ ARG 52 19.501 23.921 31.514 1.00 0.00 ATOM 423 NH1 ARG 52 20.587 23.819 30.778 1.00 0.00 ATOM 424 NH2 ARG 52 18.334 24.200 30.960 1.00 0.00 ATOM 425 O ARG 52 24.487 22.493 37.157 1.00 0.00 ATOM 426 C ARG 52 23.900 23.573 37.101 1.00 0.00 ATOM 427 N SER 53 23.708 24.391 38.123 1.00 0.00 ATOM 428 CA SER 53 24.441 24.194 39.375 1.00 0.00 ATOM 429 CB SER 53 25.141 25.478 39.760 1.00 0.00 ATOM 430 OG SER 53 25.842 25.194 40.967 1.00 0.00 ATOM 431 O SER 53 22.530 24.547 40.800 1.00 0.00 ATOM 432 C SER 53 23.496 23.836 40.516 1.00 0.00 ATOM 433 N THR 54 23.859 22.788 41.247 1.00 0.00 ATOM 434 CA THR 54 23.108 22.431 42.454 1.00 0.00 ATOM 435 CB THR 54 23.291 20.956 42.804 1.00 0.00 ATOM 436 CG2 THR 54 22.431 20.544 44.010 1.00 0.00 ATOM 437 OG1 THR 54 22.869 20.162 41.693 1.00 0.00 ATOM 438 O THR 54 24.743 23.554 43.859 1.00 0.00 ATOM 439 C THR 54 23.562 23.342 43.604 1.00 0.00 ATOM 440 N LYS 55 22.568 23.794 44.361 1.00 0.00 ATOM 441 CA LYS 55 22.851 24.677 45.515 1.00 0.00 ATOM 442 CB LYS 55 21.552 25.259 46.076 1.00 0.00 ATOM 443 CG LYS 55 21.745 26.227 47.235 1.00 0.00 ATOM 444 CD LYS 55 20.421 26.827 47.681 1.00 0.00 ATOM 445 CE LYS 55 20.609 27.771 48.859 1.00 0.00 ATOM 446 NZ LYS 55 19.317 28.345 49.325 1.00 0.00 ATOM 447 O LYS 55 24.345 24.519 47.392 1.00 0.00 ATOM 448 C LYS 55 23.610 23.915 46.609 1.00 0.00 ATOM 449 N LYS 56 23.110 22.720 46.811 1.00 0.00 ATOM 450 CA LYS 56 23.425 21.762 47.872 1.00 0.00 ATOM 451 CB LYS 56 22.299 20.737 48.019 1.00 0.00 ATOM 452 CG LYS 56 22.514 19.722 49.134 1.00 0.00 ATOM 453 CD LYS 56 21.298 18.823 49.306 1.00 0.00 ATOM 454 CE LYS 56 21.499 17.831 50.442 1.00 0.00 ATOM 455 NZ LYS 56 20.315 16.950 50.627 1.00 0.00 ATOM 456 O LYS 56 25.665 21.134 48.449 1.00 0.00 ATOM 457 C LYS 56 24.759 21.021 47.633 1.00 0.00 ATOM 458 N GLU 57 24.877 20.483 46.433 1.00 0.00 ATOM 459 CA GLU 57 25.914 19.493 46.062 1.00 0.00 ATOM 460 CB GLU 57 25.319 18.405 45.165 1.00 0.00 ATOM 461 CG GLU 57 24.246 17.557 45.832 1.00 0.00 ATOM 462 CD GLU 57 23.683 16.539 44.881 1.00 0.00 ATOM 463 OE1 GLU 57 23.201 16.927 43.844 1.00 0.00 ATOM 464 OE2 GLU 57 23.835 15.368 45.135 1.00 0.00 ATOM 465 O GLU 57 28.028 19.374 44.947 1.00 0.00 ATOM 466 C GLU 57 27.125 20.103 45.354 1.00 0.00 ATOM 467 N ASN 58 26.920 21.313 44.847 1.00 0.00 ATOM 468 CA ASN 58 27.869 22.043 43.966 1.00 0.00 ATOM 469 CB ASN 58 29.217 22.229 44.637 1.00 0.00 ATOM 470 CG ASN 58 29.128 22.795 46.028 1.00 0.00 ATOM 471 ND2 ASN 58 29.762 22.120 46.953 1.00 0.00 ATOM 472 OD1 ASN 58 28.555 23.868 46.248 1.00 0.00 ATOM 473 O ASN 58 28.871 21.812 41.774 1.00 0.00 ATOM 474 C ASN 58 28.074 21.358 42.597 1.00 0.00 ATOM 475 N ASP 59 27.221 20.377 42.311 1.00 0.00 ATOM 476 CA ASP 59 27.272 19.621 41.054 1.00 0.00 ATOM 477 CB ASP 59 26.372 18.385 41.136 1.00 0.00 ATOM 478 CG ASP 59 26.911 17.272 42.023 1.00 0.00 ATOM 479 OD1 ASP 59 28.049 17.353 42.419 1.00 0.00 ATOM 480 OD2 ASP 59 26.138 16.434 42.425 1.00 0.00 ATOM 481 O ASP 59 25.919 21.292 39.984 1.00 0.00 ATOM 482 C ASP 59 26.864 20.489 39.878 1.00 0.00 ATOM 483 N HIS 60 27.453 20.187 38.730 1.00 0.00 ATOM 484 CA HIS 60 27.119 20.915 37.485 1.00 0.00 ATOM 485 CB HIS 60 28.264 21.850 37.081 1.00 0.00 ATOM 486 CG HIS 60 28.351 23.090 37.914 1.00 0.00 ATOM 487 CD2 HIS 60 28.203 24.395 37.588 1.00 0.00 ATOM 488 ND1 HIS 60 28.621 23.059 39.266 1.00 0.00 ATOM 489 CE1 HIS 60 28.636 24.295 39.737 1.00 0.00 ATOM 490 NE2 HIS 60 28.386 25.123 38.739 1.00 0.00 ATOM 491 O HIS 60 27.449 18.924 36.204 1.00 0.00 ATOM 492 C HIS 60 26.807 19.959 36.338 1.00 0.00 ATOM 493 N LYS 61 25.794 20.310 35.556 1.00 0.00 ATOM 494 CA LYS 61 25.423 19.529 34.362 1.00 0.00 ATOM 495 CB LYS 61 24.160 18.710 34.629 1.00 0.00 ATOM 496 CG LYS 61 24.317 17.640 35.702 1.00 0.00 ATOM 497 CD LYS 61 22.972 17.062 36.110 1.00 0.00 ATOM 498 CE LYS 61 23.125 16.019 37.207 1.00 0.00 ATOM 499 NZ LYS 61 23.554 16.627 38.496 1.00 0.00 ATOM 500 O LYS 61 24.763 21.589 33.320 1.00 0.00 ATOM 501 C LYS 61 25.219 20.459 33.159 1.00 0.00 ATOM 502 N LEU 62 25.652 19.948 32.015 1.00 0.00 ATOM 503 CA LEU 62 25.617 20.673 30.728 1.00 0.00 ATOM 504 CB LEU 62 26.862 21.558 30.585 1.00 0.00 ATOM 505 CG LEU 62 28.167 20.806 30.293 1.00 0.00 ATOM 506 CD1 LEU 62 29.161 21.731 29.605 1.00 0.00 ATOM 507 CD2 LEU 62 28.743 20.266 31.594 1.00 0.00 ATOM 508 O LEU 62 25.832 18.512 29.655 1.00 0.00 ATOM 509 C LEU 62 25.512 19.690 29.545 1.00 0.00 ATOM 510 N ASN 63 25.193 20.228 28.380 1.00 0.00 ATOM 511 CA ASN 63 25.158 19.423 27.167 1.00 0.00 ATOM 512 CB ASN 63 23.792 19.471 26.508 1.00 0.00 ATOM 513 CG ASN 63 23.711 18.690 25.226 1.00 0.00 ATOM 514 ND2 ASN 63 22.772 19.064 24.394 1.00 0.00 ATOM 515 OD1 ASN 63 24.534 17.805 24.962 1.00 0.00 ATOM 516 O ASN 63 26.300 21.022 25.740 1.00 0.00 ATOM 517 C ASN 63 26.237 19.877 26.199 1.00 0.00 ATOM 518 N LYS 64 27.105 18.945 25.873 1.00 0.00 ATOM 519 CA LYS 64 28.104 19.249 24.855 1.00 0.00 ATOM 520 CB LYS 64 29.501 19.300 25.475 1.00 0.00 ATOM 521 CG LYS 64 30.609 19.678 24.500 1.00 0.00 ATOM 522 CD LYS 64 31.947 19.819 25.209 1.00 0.00 ATOM 523 CE LYS 64 33.056 20.184 24.234 1.00 0.00 ATOM 524 NZ LYS 64 34.374 20.313 24.912 1.00 0.00 ATOM 525 O LYS 64 28.436 17.071 23.887 1.00 0.00 ATOM 526 C LYS 64 28.038 18.227 23.764 1.00 0.00 ATOM 527 N TYR 65 27.334 18.718 22.765 1.00 0.00 ATOM 528 CA TYR 65 26.874 17.905 21.637 1.00 0.00 ATOM 529 CB TYR 65 28.035 17.102 21.048 1.00 0.00 ATOM 530 CG TYR 65 29.113 17.955 20.417 1.00 0.00 ATOM 531 CD1 TYR 65 30.267 18.277 21.117 1.00 0.00 ATOM 532 CD2 TYR 65 28.976 18.433 19.123 1.00 0.00 ATOM 533 CE1 TYR 65 31.255 19.057 20.546 1.00 0.00 ATOM 534 CE2 TYR 65 29.957 19.212 18.542 1.00 0.00 ATOM 535 CZ TYR 65 31.096 19.521 19.257 1.00 0.00 ATOM 536 OH TYR 65 32.076 20.297 18.682 1.00 0.00 ATOM 537 O TYR 65 24.665 17.452 22.445 1.00 0.00 ATOM 538 C TYR 65 25.742 16.982 22.124 1.00 0.00 ATOM 539 N ALA 66 26.016 15.693 22.214 1.00 0.00 ATOM 540 CA ALA 66 25.080 14.711 22.759 1.00 0.00 ATOM 541 CB ALA 66 24.954 13.595 21.760 1.00 0.00 ATOM 542 O ALA 66 24.957 13.205 24.619 1.00 0.00 ATOM 543 C ALA 66 25.572 14.123 24.073 1.00 0.00 ATOM 544 N PHE 67 26.733 14.617 24.493 1.00 0.00 ATOM 545 CA PHE 67 27.355 14.260 25.772 1.00 0.00 ATOM 546 CB PHE 67 28.865 14.508 25.760 1.00 0.00 ATOM 547 CG PHE 67 29.595 13.563 24.815 1.00 0.00 ATOM 548 CD1 PHE 67 29.893 13.972 23.513 1.00 0.00 ATOM 549 CD2 PHE 67 29.933 12.296 25.251 1.00 0.00 ATOM 550 CE1 PHE 67 30.558 13.104 22.660 1.00 0.00 ATOM 551 CE2 PHE 67 30.589 11.429 24.388 1.00 0.00 ATOM 552 CZ PHE 67 30.906 11.828 23.097 1.00 0.00 ATOM 553 O PHE 67 26.807 16.335 26.861 1.00 0.00 ATOM 554 C PHE 67 26.728 15.101 26.870 1.00 0.00 ATOM 555 N LEU 68 25.923 14.409 27.652 1.00 0.00 ATOM 556 CA LEU 68 25.385 15.006 28.885 1.00 0.00 ATOM 557 CB LEU 68 24.044 14.353 29.224 1.00 0.00 ATOM 558 CG LEU 68 23.100 14.595 28.031 1.00 0.00 ATOM 559 CD1 LEU 68 21.974 13.577 28.049 1.00 0.00 ATOM 560 CD2 LEU 68 22.550 16.026 28.003 1.00 0.00 ATOM 561 O LEU 68 26.967 13.793 30.256 1.00 0.00 ATOM 562 C LEU 68 26.485 14.888 29.942 1.00 0.00 ATOM 563 N ARG 69 27.087 16.052 30.116 1.00 0.00 ATOM 564 CA ARG 69 28.356 16.233 30.837 1.00 0.00 ATOM 565 CB ARG 69 29.362 17.043 30.033 1.00 0.00 ATOM 566 CG ARG 69 29.902 16.345 28.794 1.00 0.00 ATOM 567 CD ARG 69 31.151 16.939 28.252 1.00 0.00 ATOM 568 NE ARG 69 32.295 16.857 29.145 1.00 0.00 ATOM 569 CZ ARG 69 32.784 17.890 29.858 1.00 0.00 ATOM 570 NH1 ARG 69 32.260 19.091 29.756 1.00 0.00 ATOM 571 NH2 ARG 69 33.824 17.670 30.644 1.00 0.00 ATOM 572 O ARG 69 27.263 17.702 32.418 1.00 0.00 ATOM 573 C ARG 69 28.110 16.844 32.222 1.00 0.00 ATOM 574 N LEU 70 28.976 16.451 33.132 1.00 0.00 ATOM 575 CA LEU 70 28.906 16.950 34.506 1.00 0.00 ATOM 576 CB LEU 70 27.925 16.104 35.328 1.00 0.00 ATOM 577 CG LEU 70 28.359 14.652 35.568 1.00 0.00 ATOM 578 CD1 LEU 70 29.276 14.576 36.781 1.00 0.00 ATOM 579 CD2 LEU 70 27.128 13.780 35.767 1.00 0.00 ATOM 580 O LEU 70 31.216 16.352 34.781 1.00 0.00 ATOM 581 C LEU 70 30.253 16.976 35.207 1.00 0.00 ATOM 582 N TYR 71 30.272 17.813 36.229 1.00 0.00 ATOM 583 CA TYR 71 31.358 17.885 37.206 1.00 0.00 ATOM 584 CB TYR 71 32.038 19.255 37.151 1.00 0.00 ATOM 585 CG TYR 71 32.547 19.632 35.778 1.00 0.00 ATOM 586 CD1 TYR 71 31.746 20.332 34.888 1.00 0.00 ATOM 587 CD2 TYR 71 33.830 19.289 35.376 1.00 0.00 ATOM 588 CE1 TYR 71 32.205 20.680 33.632 1.00 0.00 ATOM 589 CE2 TYR 71 34.301 19.631 34.124 1.00 0.00 ATOM 590 CZ TYR 71 33.485 20.326 33.254 1.00 0.00 ATOM 591 OH TYR 71 33.950 20.670 32.006 1.00 0.00 ATOM 592 O TYR 71 29.566 17.922 38.791 1.00 0.00 ATOM 593 C TYR 71 30.744 17.594 38.582 1.00 0.00 ATOM 594 N VAL 72 31.520 16.970 39.452 1.00 0.00 ATOM 595 CA VAL 72 31.032 16.628 40.798 1.00 0.00 ATOM 596 CB VAL 72 30.728 15.124 40.924 1.00 0.00 ATOM 597 CG1 VAL 72 31.987 14.304 40.680 1.00 0.00 ATOM 598 CG2 VAL 72 30.147 14.810 42.294 1.00 0.00 ATOM 599 O VAL 72 33.259 16.739 41.698 1.00 0.00 ATOM 600 C VAL 72 32.081 17.045 41.833 1.00 0.00 ATOM 601 N ASP 73 31.570 17.524 42.963 1.00 0.00 ATOM 602 CA ASP 73 32.457 17.924 44.077 1.00 0.00 ATOM 603 CB ASP 73 33.022 19.326 43.835 1.00 0.00 ATOM 604 CG ASP 73 34.352 19.596 44.527 1.00 0.00 ATOM 605 OD1 ASP 73 34.889 18.687 45.114 1.00 0.00 ATOM 606 OD2 ASP 73 34.894 20.657 44.333 1.00 0.00 ATOM 607 O ASP 73 30.575 18.184 45.535 1.00 0.00 ATOM 608 C ASP 73 31.767 17.894 45.434 1.00 0.00 ATOM 609 N GLN 74 32.525 17.523 46.465 1.00 0.00 ATOM 610 CA GLN 74 32.011 17.588 47.848 1.00 0.00 ATOM 611 CB GLN 74 33.045 17.033 48.831 1.00 0.00 ATOM 612 CG GLN 74 33.282 15.538 48.706 1.00 0.00 ATOM 613 CD GLN 74 34.321 15.033 49.689 1.00 0.00 ATOM 614 OE1 GLN 74 34.895 15.806 50.460 1.00 0.00 ATOM 615 NE2 GLN 74 34.572 13.728 49.665 1.00 0.00 ATOM 616 O GLN 74 32.136 19.987 47.645 1.00 0.00 ATOM 617 C GLN 74 31.646 19.028 48.243 1.00 0.00 ATOM 618 N ASP 75 31.048 19.176 49.411 1.00 0.00 ATOM 619 CA ASP 75 30.530 20.484 49.840 1.00 0.00 ATOM 620 CB ASP 75 29.410 20.306 50.868 1.00 0.00 ATOM 621 CG ASP 75 28.109 19.760 50.294 1.00 0.00 ATOM 622 OD1 ASP 75 27.961 19.772 49.095 1.00 0.00 ATOM 623 OD2 ASP 75 27.345 19.195 51.039 1.00 0.00 ATOM 624 O ASP 75 31.287 22.652 50.526 1.00 0.00 ATOM 625 C ASP 75 31.542 21.454 50.441 1.00 0.00 ATOM 626 N ASP 76 32.760 20.979 50.636 1.00 0.00 ATOM 627 CA ASP 76 33.744 21.665 51.504 1.00 0.00 ATOM 628 CB ASP 76 34.985 20.790 51.702 1.00 0.00 ATOM 629 CG ASP 76 34.768 19.587 52.609 1.00 0.00 ATOM 630 OD1 ASP 76 33.757 19.539 53.268 1.00 0.00 ATOM 631 OD2 ASP 76 35.533 18.657 52.520 1.00 0.00 ATOM 632 O ASP 76 34.647 23.870 51.847 1.00 0.00 ATOM 633 C ASP 76 34.235 23.041 51.039 1.00 0.00 ATOM 634 N ASN 77 34.103 23.280 49.740 1.00 0.00 ATOM 635 CA ASN 77 34.479 24.594 49.170 1.00 0.00 ATOM 636 CB ASN 77 35.368 24.436 47.950 1.00 0.00 ATOM 637 CG ASN 77 36.720 23.855 48.257 1.00 0.00 ATOM 638 ND2 ASN 77 37.004 22.732 47.648 1.00 0.00 ATOM 639 OD1 ASN 77 37.526 24.454 48.979 1.00 0.00 ATOM 640 O ASN 77 33.467 26.612 48.351 1.00 0.00 ATOM 641 C ASN 77 33.285 25.474 48.795 1.00 0.00 ATOM 642 N SER 78 32.081 25.052 49.192 1.00 0.00 ATOM 643 CA SER 78 30.878 25.896 49.035 1.00 0.00 ATOM 644 CB SER 78 29.635 25.029 48.984 1.00 0.00 ATOM 645 OG SER 78 28.480 25.779 48.729 1.00 0.00 ATOM 646 O SER 78 30.180 26.669 51.183 1.00 0.00 ATOM 647 C SER 78 30.844 26.885 50.200 1.00 0.00 ATOM 648 N LYS 79 31.727 27.882 50.188 1.00 0.00 ATOM 649 CA LYS 79 31.854 28.876 51.284 1.00 0.00 ATOM 650 CB LYS 79 33.289 28.913 51.811 1.00 0.00 ATOM 651 CG LYS 79 33.795 27.582 52.352 1.00 0.00 ATOM 652 CD LYS 79 33.017 27.156 53.589 1.00 0.00 ATOM 653 CE LYS 79 33.614 25.904 54.213 1.00 0.00 ATOM 654 NZ LYS 79 32.829 25.441 55.390 1.00 0.00 ATOM 655 O LYS 79 31.156 31.112 51.814 1.00 0.00 ATOM 656 C LYS 79 31.451 30.313 50.921 1.00 0.00 ATOM 657 N ASN 80 31.556 30.640 49.644 1.00 0.00 ATOM 658 CA ASN 80 31.259 31.980 49.120 1.00 0.00 ATOM 659 CB ASN 80 32.489 32.621 48.504 1.00 0.00 ATOM 660 CG ASN 80 33.580 32.912 49.495 1.00 0.00 ATOM 661 ND2 ASN 80 34.717 32.299 49.280 1.00 0.00 ATOM 662 OD1 ASN 80 33.420 33.738 50.401 1.00 0.00 ATOM 663 O ASN 80 29.105 32.582 48.359 1.00 0.00 ATOM 664 C ASN 80 30.126 31.961 48.103 1.00 0.00 ATOM 665 N GLU 81 30.366 31.460 46.893 1.00 0.00 ATOM 666 CA GLU 81 29.335 31.529 45.850 1.00 0.00 ATOM 667 CB GLU 81 29.550 32.760 44.966 1.00 0.00 ATOM 668 CG GLU 81 29.426 34.089 45.697 1.00 0.00 ATOM 669 CD GLU 81 29.621 35.247 44.760 1.00 0.00 ATOM 670 OE1 GLU 81 29.878 35.016 43.604 1.00 0.00 ATOM 671 OE2 GLU 81 29.402 36.362 45.173 1.00 0.00 ATOM 672 O GLU 81 30.338 29.671 44.715 1.00 0.00 ATOM 673 C GLU 81 29.315 30.279 44.990 1.00 0.00 ATOM 674 N ILE 82 28.126 29.931 44.524 1.00 0.00 ATOM 675 CA ILE 82 28.005 28.922 43.467 1.00 0.00 ATOM 676 CB ILE 82 26.530 28.597 43.162 1.00 0.00 ATOM 677 CG1 ILE 82 25.884 27.886 44.354 1.00 0.00 ATOM 678 CG2 ILE 82 26.422 27.745 41.906 1.00 0.00 ATOM 679 CD1 ILE 82 24.379 27.769 44.251 1.00 0.00 ATOM 680 O ILE 82 29.287 28.631 41.457 1.00 0.00 ATOM 681 C ILE 82 28.702 29.406 42.187 1.00 0.00 ATOM 682 N SER 83 28.424 30.656 41.828 1.00 0.00 ATOM 683 CA SER 83 29.029 31.239 40.619 1.00 0.00 ATOM 684 CB SER 83 28.684 32.712 40.521 1.00 0.00 ATOM 685 OG SER 83 29.228 33.451 41.581 1.00 0.00 ATOM 686 O SER 83 31.108 30.782 39.528 1.00 0.00 ATOM 687 C SER 83 30.552 31.056 40.586 1.00 0.00 ATOM 688 N SER 84 31.190 31.087 41.752 1.00 0.00 ATOM 689 CA SER 84 32.644 30.873 41.869 1.00 0.00 ATOM 690 CB SER 84 33.304 32.098 42.471 1.00 0.00 ATOM 691 OG SER 84 32.799 32.396 43.744 1.00 0.00 ATOM 692 O SER 84 34.163 29.509 43.132 1.00 0.00 ATOM 693 C SER 84 33.017 29.642 42.701 1.00 0.00 ATOM 694 N ILE 85 32.093 28.675 42.783 1.00 0.00 ATOM 695 CA ILE 85 32.323 27.402 43.489 1.00 0.00 ATOM 696 CB ILE 85 31.065 26.515 43.480 1.00 0.00 ATOM 697 CG1 ILE 85 31.278 25.277 44.355 1.00 0.00 ATOM 698 CG2 ILE 85 30.708 26.111 42.058 1.00 0.00 ATOM 699 CD1 ILE 85 31.666 25.596 45.781 1.00 0.00 ATOM 700 O ILE 85 33.603 26.675 41.587 1.00 0.00 ATOM 701 C ILE 85 33.495 26.686 42.814 1.00 0.00 ATOM 702 N GLU 86 34.269 26.007 43.636 1.00 0.00 ATOM 703 CA GLU 86 35.359 25.175 43.139 1.00 0.00 ATOM 704 CB GLU 86 36.535 25.194 44.118 1.00 0.00 ATOM 705 CG GLU 86 37.751 24.402 43.655 1.00 0.00 ATOM 706 CD GLU 86 38.875 24.497 44.647 1.00 0.00 ATOM 707 OE1 GLU 86 38.692 25.120 45.666 1.00 0.00 ATOM 708 OE2 GLU 86 39.879 23.856 44.442 1.00 0.00 ATOM 709 O GLU 86 34.319 23.102 43.840 1.00 0.00 ATOM 710 C GLU 86 34.831 23.747 42.922 1.00 0.00 ATOM 711 N VAL 87 34.722 23.379 41.652 1.00 0.00 ATOM 712 CA VAL 87 34.164 22.071 41.262 1.00 0.00 ATOM 713 CB VAL 87 33.072 22.220 40.187 1.00 0.00 ATOM 714 CG1 VAL 87 32.443 20.870 39.876 1.00 0.00 ATOM 715 CG2 VAL 87 32.009 23.209 40.640 1.00 0.00 ATOM 716 O VAL 87 36.039 21.554 39.842 1.00 0.00 ATOM 717 C VAL 87 35.291 21.153 40.739 1.00 0.00 ATOM 718 N LYS 88 35.278 19.906 41.223 1.00 0.00 ATOM 719 CA LYS 88 36.246 18.813 40.932 1.00 0.00 ATOM 720 CB LYS 88 36.776 18.207 42.232 1.00 0.00 ATOM 721 CG LYS 88 37.527 19.187 43.123 1.00 0.00 ATOM 722 CD LYS 88 38.121 18.488 44.336 1.00 0.00 ATOM 723 CE LYS 88 38.887 19.463 45.218 1.00 0.00 ATOM 724 NZ LYS 88 39.482 18.792 46.406 1.00 0.00 ATOM 725 O LYS 88 34.468 17.881 39.643 1.00 0.00 ATOM 726 C LYS 88 35.610 17.691 40.046 1.00 0.00 ATOM 727 N SER 89 36.289 16.608 39.647 1.00 0.00 ATOM 728 CA SER 89 35.812 15.461 38.780 1.00 0.00 ATOM 729 CB SER 89 35.210 14.370 39.643 1.00 0.00 ATOM 730 OG SER 89 34.733 13.297 38.878 1.00 0.00 ATOM 731 O SER 89 33.807 16.362 37.760 1.00 0.00 ATOM 732 C SER 89 34.783 15.633 37.637 1.00 0.00 ATOM 733 N TYR 90 34.978 14.961 36.492 1.00 0.00 ATOM 734 CA TYR 90 34.063 15.058 35.335 1.00 0.00 ATOM 735 CB TYR 90 34.728 15.826 34.190 1.00 0.00 ATOM 736 CG TYR 90 35.972 15.158 33.647 1.00 0.00 ATOM 737 CD1 TYR 90 35.900 14.276 32.579 1.00 0.00 ATOM 738 CD2 TYR 90 37.217 15.415 34.203 1.00 0.00 ATOM 739 CE1 TYR 90 37.033 13.664 32.079 1.00 0.00 ATOM 740 CE2 TYR 90 38.357 14.809 33.711 1.00 0.00 ATOM 741 CZ TYR 90 38.261 13.934 32.648 1.00 0.00 ATOM 742 OH TYR 90 39.393 13.329 32.154 1.00 0.00 ATOM 743 O TYR 90 34.279 12.778 34.501 1.00 0.00 ATOM 744 C TYR 90 33.534 13.736 34.734 1.00 0.00 ATOM 745 N GLU 91 32.298 13.782 34.240 1.00 0.00 ATOM 746 CA GLU 91 31.681 12.612 33.595 1.00 0.00 ATOM 747 CB GLU 91 30.819 11.841 34.597 1.00 0.00 ATOM 748 CG GLU 91 31.591 11.260 35.774 1.00 0.00 ATOM 749 CD GLU 91 30.676 10.535 36.722 1.00 0.00 ATOM 750 OE1 GLU 91 29.496 10.503 36.471 1.00 0.00 ATOM 751 OE2 GLU 91 31.170 9.917 37.636 1.00 0.00 ATOM 752 O GLU 91 30.457 14.189 32.266 1.00 0.00 ATOM 753 C GLU 91 30.845 13.021 32.396 1.00 0.00 ATOM 754 N GLU 92 30.617 12.057 31.514 1.00 0.00 ATOM 755 CA GLU 92 29.785 12.283 30.323 1.00 0.00 ATOM 756 CB GLU 92 30.629 12.849 29.178 1.00 0.00 ATOM 757 CG GLU 92 31.737 11.922 28.698 1.00 0.00 ATOM 758 CD GLU 92 32.532 12.552 27.588 1.00 0.00 ATOM 759 OE1 GLU 92 32.242 13.669 27.235 1.00 0.00 ATOM 760 OE2 GLU 92 33.500 11.961 27.169 1.00 0.00 ATOM 761 O GLU 92 29.594 9.888 30.050 1.00 0.00 ATOM 762 C GLU 92 29.093 10.996 29.877 1.00 0.00 ATOM 763 N ILE 93 27.835 11.176 29.518 1.00 0.00 ATOM 764 CA ILE 93 26.988 10.064 29.064 1.00 0.00 ATOM 765 CB ILE 93 25.982 9.639 30.149 1.00 0.00 ATOM 766 CG1 ILE 93 26.719 9.070 31.365 1.00 0.00 ATOM 767 CG2 ILE 93 24.999 8.621 29.595 1.00 0.00 ATOM 768 CD1 ILE 93 25.842 8.897 32.585 1.00 0.00 ATOM 769 O ILE 93 25.872 11.651 27.608 1.00 0.00 ATOM 770 C ILE 93 26.251 10.485 27.798 1.00 0.00 ATOM 771 N GLN 94 25.901 9.485 27.007 1.00 0.00 ATOM 772 CA GLN 94 25.078 9.722 25.819 1.00 0.00 ATOM 773 CB GLN 94 25.047 8.474 24.931 1.00 0.00 ATOM 774 CG GLN 94 26.367 8.165 24.246 1.00 0.00 ATOM 775 CD GLN 94 26.277 6.957 23.334 1.00 0.00 ATOM 776 OE1 GLN 94 25.219 6.333 23.210 1.00 0.00 ATOM 777 NE2 GLN 94 27.388 6.616 22.693 1.00 0.00 ATOM 778 O GLN 94 23.120 9.641 27.235 1.00 0.00 ATOM 779 C GLN 94 23.657 10.115 26.237 1.00 0.00 ATOM 780 N LYS 95 23.052 10.953 25.406 1.00 0.00 ATOM 781 CA LYS 95 21.669 11.425 25.606 1.00 0.00 ATOM 782 CB LYS 95 21.213 12.267 24.414 1.00 0.00 ATOM 783 CG LYS 95 19.804 12.831 24.544 1.00 0.00 ATOM 784 CD LYS 95 19.449 13.713 23.356 1.00 0.00 ATOM 785 CE LYS 95 18.029 14.247 23.467 1.00 0.00 ATOM 786 NZ LYS 95 17.669 15.117 22.314 1.00 0.00 ATOM 787 O LYS 95 19.984 10.099 26.741 1.00 0.00 ATOM 788 C LYS 95 20.765 10.212 25.812 1.00 0.00 ATOM 789 N ALA 96 21.007 9.224 24.970 1.00 0.00 ATOM 790 CA ALA 96 20.250 7.978 24.917 1.00 0.00 ATOM 791 CB ALA 96 20.613 7.419 23.554 1.00 0.00 ATOM 792 O ALA 96 19.579 6.220 26.408 1.00 0.00 ATOM 793 C ALA 96 20.480 6.993 26.086 1.00 0.00 ATOM 794 N ASP 97 21.554 7.202 26.834 1.00 0.00 ATOM 795 CA ASP 97 21.860 6.360 28.010 1.00 0.00 ATOM 796 CB ASP 97 23.270 5.775 27.899 1.00 0.00 ATOM 797 CG ASP 97 23.488 4.888 26.680 1.00 0.00 ATOM 798 OD1 ASP 97 22.689 4.007 26.459 1.00 0.00 ATOM 799 OD2 ASP 97 24.355 5.192 25.897 1.00 0.00 ATOM 800 O ASP 97 21.858 6.486 30.435 1.00 0.00 ATOM 801 C ASP 97 21.746 7.081 29.366 1.00 0.00 ATOM 802 N LEU 98 21.426 8.364 29.310 1.00 0.00 ATOM 803 CA LEU 98 21.260 9.172 30.516 1.00 0.00 ATOM 804 CB LEU 98 21.169 10.653 30.150 1.00 0.00 ATOM 805 CG LEU 98 21.144 11.478 31.428 1.00 0.00 ATOM 806 CD1 LEU 98 22.470 11.408 32.155 1.00 0.00 ATOM 807 CD2 LEU 98 20.923 12.934 31.132 1.00 0.00 ATOM 808 O LEU 98 18.940 8.701 30.667 1.00 0.00 ATOM 809 C LEU 98 20.004 8.743 31.292 1.00 0.00 ATOM 810 N PRO 99 20.109 8.591 32.618 1.00 0.00 ATOM 811 CA PRO 99 18.929 8.358 33.469 1.00 0.00 ATOM 812 CB PRO 99 19.451 8.311 34.905 1.00 0.00 ATOM 813 CG PRO 99 20.856 7.760 34.709 1.00 0.00 ATOM 814 CD PRO 99 21.336 8.447 33.425 1.00 0.00 ATOM 815 O PRO 99 18.360 10.663 33.120 1.00 0.00 ATOM 816 C PRO 99 17.948 9.512 33.329 1.00 0.00 ATOM 817 N GLU 100 16.714 9.214 33.696 1.00 0.00 ATOM 818 CA GLU 100 15.560 10.123 33.686 1.00 0.00 ATOM 819 CB GLU 100 14.300 9.395 34.161 1.00 0.00 ATOM 820 CG GLU 100 13.037 10.243 34.136 1.00 0.00 ATOM 821 CD GLU 100 11.837 9.449 34.569 1.00 0.00 ATOM 822 OE1 GLU 100 11.990 8.286 34.858 1.00 0.00 ATOM 823 OE2 GLU 100 10.788 10.030 34.722 1.00 0.00 ATOM 824 O GLU 100 15.703 12.510 34.093 1.00 0.00 ATOM 825 C GLU 100 15.782 11.370 34.552 1.00 0.00 ATOM 826 N LYS 101 16.314 11.101 35.738 1.00 0.00 ATOM 827 CA LYS 101 16.550 12.129 36.761 1.00 0.00 ATOM 828 CB LYS 101 17.051 11.490 38.057 1.00 0.00 ATOM 829 CG LYS 101 16.004 10.671 38.801 1.00 0.00 ATOM 830 CD LYS 101 16.576 10.068 40.075 1.00 0.00 ATOM 831 CE LYS 101 15.539 9.227 40.804 1.00 0.00 ATOM 832 NZ LYS 101 16.094 8.606 42.038 1.00 0.00 ATOM 833 O LYS 101 17.376 14.372 36.337 1.00 0.00 ATOM 834 C LYS 101 17.553 13.161 36.241 1.00 0.00 ATOM 835 N VAL 102 18.609 12.655 35.627 1.00 0.00 ATOM 836 CA VAL 102 19.641 13.541 35.072 1.00 0.00 ATOM 837 CB VAL 102 20.932 12.813 34.707 1.00 0.00 ATOM 838 CG1 VAL 102 22.001 13.847 34.368 1.00 0.00 ATOM 839 CG2 VAL 102 21.410 11.885 35.824 1.00 0.00 ATOM 840 O VAL 102 19.363 15.583 33.896 1.00 0.00 ATOM 841 C VAL 102 19.091 14.382 33.904 1.00 0.00 ATOM 842 N LYS 103 18.345 13.763 32.985 1.00 0.00 ATOM 843 CA LYS 103 17.644 14.494 31.915 1.00 0.00 ATOM 844 CB LYS 103 16.836 13.528 31.047 1.00 0.00 ATOM 845 CG LYS 103 16.104 14.189 29.885 1.00 0.00 ATOM 846 CD LYS 103 15.386 13.159 29.027 1.00 0.00 ATOM 847 CE LYS 103 14.627 13.821 27.887 1.00 0.00 ATOM 848 NZ LYS 103 13.915 12.826 27.040 1.00 0.00 ATOM 849 O LYS 103 16.842 16.757 32.090 1.00 0.00 ATOM 850 C LYS 103 16.713 15.590 32.456 1.00 0.00 ATOM 851 N ASP 104 15.991 15.241 33.516 1.00 0.00 ATOM 852 CA ASP 104 15.060 16.193 34.160 1.00 0.00 ATOM 853 CB ASP 104 14.216 15.483 35.221 1.00 0.00 ATOM 854 CG ASP 104 13.144 14.560 34.658 1.00 0.00 ATOM 855 OD1 ASP 104 12.883 14.634 33.481 1.00 0.00 ATOM 856 OD2 ASP 104 12.707 13.686 35.369 1.00 0.00 ATOM 857 O ASP 104 15.494 18.518 34.517 1.00 0.00 ATOM 858 C ASP 104 15.800 17.370 34.792 1.00 0.00 ATOM 859 N LYS 105 16.950 17.037 35.382 1.00 0.00 ATOM 860 CA LYS 105 17.832 18.053 35.971 1.00 0.00 ATOM 861 CB LYS 105 18.982 17.390 36.730 1.00 0.00 ATOM 862 CG LYS 105 19.624 18.269 37.794 1.00 0.00 ATOM 863 CD LYS 105 18.645 18.583 38.916 1.00 0.00 ATOM 864 CE LYS 105 19.282 19.475 39.973 1.00 0.00 ATOM 865 NZ LYS 105 20.427 18.807 40.650 1.00 0.00 ATOM 866 O LYS 105 18.476 20.197 35.124 1.00 0.00 ATOM 867 C LYS 105 18.387 19.000 34.902 1.00 0.00 ATOM 868 N PHE 106 18.836 18.456 33.787 1.00 0.00 ATOM 869 CA PHE 106 19.330 19.285 32.675 1.00 0.00 ATOM 870 CB PHE 106 19.906 18.403 31.566 1.00 0.00 ATOM 871 CG PHE 106 20.200 19.144 30.293 1.00 0.00 ATOM 872 CD1 PHE 106 21.347 19.914 30.172 1.00 0.00 ATOM 873 CD2 PHE 106 19.331 19.072 29.215 1.00 0.00 ATOM 874 CE1 PHE 106 21.618 20.597 29.001 1.00 0.00 ATOM 875 CE2 PHE 106 19.601 19.753 28.044 1.00 0.00 ATOM 876 CZ PHE 106 20.746 20.517 27.937 1.00 0.00 ATOM 877 O PHE 106 18.468 21.384 31.916 1.00 0.00 ATOM 878 C PHE 106 18.245 20.195 32.084 1.00 0.00 ATOM 879 N THR 107 17.063 19.650 31.828 1.00 0.00 ATOM 880 CA THR 107 15.947 20.445 31.270 1.00 0.00 ATOM 881 CB THR 107 14.714 19.566 30.987 1.00 0.00 ATOM 882 CG2 THR 107 13.564 20.413 30.464 1.00 0.00 ATOM 883 OG1 THR 107 15.048 18.568 30.013 1.00 0.00 ATOM 884 O THR 107 15.109 22.642 31.726 1.00 0.00 ATOM 885 C THR 107 15.527 21.586 32.199 1.00 0.00 ATOM 886 N ILE 108 15.460 21.270 33.483 1.00 0.00 ATOM 887 CA ILE 108 15.046 22.284 34.469 1.00 0.00 ATOM 888 CB ILE 108 14.675 21.674 35.827 1.00 0.00 ATOM 889 CG1 ILE 108 15.729 20.794 36.489 1.00 0.00 ATOM 890 CG2 ILE 108 13.398 20.874 35.649 1.00 0.00 ATOM 891 CD1 ILE 108 16.791 21.602 37.198 1.00 0.00 ATOM 892 O ILE 108 17.250 23.223 34.412 1.00 0.00 ATOM 893 C ILE 108 16.046 23.439 34.532 1.00 0.00 ATOM 894 N LYS 109 15.497 24.643 34.547 1.00 0.00 ATOM 895 CA LYS 109 16.314 25.872 34.677 1.00 0.00 ATOM 896 CB LYS 109 15.427 27.116 34.600 1.00 0.00 ATOM 897 CG LYS 109 14.796 27.354 33.235 1.00 0.00 ATOM 898 CD LYS 109 13.947 28.616 33.231 1.00 0.00 ATOM 899 CE LYS 109 13.299 28.845 31.873 1.00 0.00 ATOM 900 NZ LYS 109 12.435 30.055 31.864 1.00 0.00 ATOM 901 O LYS 109 16.894 24.895 36.758 1.00 0.00 ATOM 902 C LYS 109 17.103 25.850 36.000 1.00 0.00 TER END