PFRMAT TS TARGET T0467 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 1c8cA with E-value 2.4), 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_TS1 and BAKER-ROBETTA_TS5 models turned METHOD out to be the ones I liked best and used most heavily in creating my METHOD models. METHOD METHOD Since T0467 and T0468 are quite similar sequences, I tried to find METHOD similar folds for both targets. Models 3 and 4 resulted from trying METHOD to use my current favorite T0468 model as a template for T0467. I did METHOD not get a good full-length model that way, but one part of it METHOD (K33-S70) looked good, so I tried pasting that into two of my favorite METHOD full-length models and reoptimizing. METHOD METHOD Model METHOD 1 T0467.try4-opt3.pdb # < try2-opt3.gromacs0 < MQAY2-opt3 < BAKER-ROBETTA_TS1 METHOD # this claims to be from BAKER-ROBETTA_TS1, but looks more METHOD # like the TS5 models. Perhaps there was crossover in METHOD # the try2 or try4 optimization METHOD METHOD 2 T0467.MQAY2-opt3.gromacs0.repack-nonPC.pdb # < BAKER-ROBETTA_TS1 METHOD # best rosetta energy METHOD METHOD 3 T0467.try9-opt3.pdb # < try7-opt3 < chimera-MQAY2-try6 METHOD chimera-MQAY2-try6: METHOD M1-Y32, D71-K97 from T0467.MQAY2-opt3.gromacs0.repack-nonPC.pdb METHOD K33-S70 from T0467.try6-opt3.pdb METHOD try6-opt3 < align(T0468.try2-opt3) METHOD METHOD 4 T0467.try10-opt3.pdb # < try8-opt3 < chimera-MQAY4-try6 METHOD chimera-MQAY4-try6: METHOD M1-Y32, D71-K97 from T0467.MQAY4-opt3.pdb METHOD K33-S70 from T0467.try6-opt3.pdb METHOD try6-opt3 < align(T0468.try2-opt3) METHOD METHOD 5 T0467.try5-opt3.pdb # < MQAC1-opt3 < SAM-T08-server_TS1 METHOD # this was probably the best of the SAM+undertaker models, METHOD # though it came via the SAM-T08 server. METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0467 model 2 Thu Jul 24 12:05:46 2008 MODEL 2 PARENT 1dcu_A 1q40_B 1nfi_E 2r19_A 1prn_A REMARK 7 REMARK 7 ALLPARENTS 1dcu_A 1q40_B 1nfi_E 2r19_A 1prn_A 2die_A 2o62_A REMARK 7 ALLPARENTS 2bsz_A 3b95_A 1n11_A 2qc9_A 1s70_B 1c8c_A 1xyi_A REMARK 7 ALLPARENTS 2z1c_A 1yli_A 1azp_A ATOM 1 N MET 1 9.759 36.673 35.110 1.00 0.00 ATOM 2 CA MET 1 11.222 36.691 34.998 1.00 0.00 ATOM 3 CB MET 1 11.629 36.049 33.672 1.00 0.00 ATOM 4 CG MET 1 11.190 36.783 32.407 1.00 0.00 ATOM 5 SD MET 1 11.845 36.047 30.872 1.00 0.00 ATOM 6 CE MET 1 10.724 34.684 30.773 1.00 0.00 ATOM 7 O MET 1 10.957 38.990 34.551 1.00 0.00 ATOM 8 C MET 1 11.705 38.130 34.996 1.00 0.00 ATOM 9 N ASP 2 12.944 38.303 35.444 1.00 0.00 ATOM 10 CA ASP 2 13.568 39.632 35.425 1.00 0.00 ATOM 11 CB ASP 2 14.368 39.868 36.708 1.00 0.00 ATOM 12 CG ASP 2 15.014 41.244 36.803 1.00 0.00 ATOM 13 OD1 ASP 2 14.941 41.979 35.848 1.00 0.00 ATOM 14 OD2 ASP 2 15.434 41.608 37.876 1.00 0.00 ATOM 15 O ASP 2 15.544 39.164 34.117 1.00 0.00 ATOM 16 C ASP 2 14.469 39.768 34.187 1.00 0.00 ATOM 17 N LEU 3 13.885 40.362 33.147 1.00 0.00 ATOM 18 CA LEU 3 14.603 40.607 31.887 1.00 0.00 ATOM 19 CB LEU 3 13.602 40.653 30.729 1.00 0.00 ATOM 20 CG LEU 3 14.204 41.110 29.389 1.00 0.00 ATOM 21 CD1 LEU 3 15.205 40.104 28.821 1.00 0.00 ATOM 22 CD2 LEU 3 13.114 41.390 28.354 1.00 0.00 ATOM 23 O LEU 3 14.865 42.982 32.209 1.00 0.00 ATOM 24 C LEU 3 15.419 41.916 31.973 1.00 0.00 ATOM 25 N ASN 4 16.664 41.821 31.557 1.00 0.00 ATOM 26 CA ASN 4 17.565 42.984 31.480 1.00 0.00 ATOM 27 CB ASN 4 18.661 42.907 32.528 1.00 0.00 ATOM 28 CG ASN 4 18.147 42.897 33.941 1.00 0.00 ATOM 29 ND2 ASN 4 18.353 41.791 34.609 1.00 0.00 ATOM 30 OD1 ASN 4 17.636 43.904 34.444 1.00 0.00 ATOM 31 O ASN 4 18.694 42.165 29.532 1.00 0.00 ATOM 32 C ASN 4 18.171 43.121 30.106 1.00 0.00 ATOM 33 N ARG 5 18.133 44.355 29.620 1.00 0.00 ATOM 34 CA ARG 5 18.647 44.588 28.271 1.00 0.00 ATOM 35 CB ARG 5 17.864 45.667 27.537 1.00 0.00 ATOM 36 CG ARG 5 18.318 45.926 26.108 1.00 0.00 ATOM 37 CD ARG 5 17.463 46.882 25.359 1.00 0.00 ATOM 38 NE ARG 5 17.926 47.176 24.013 1.00 0.00 ATOM 39 CZ ARG 5 17.227 47.878 23.100 1.00 0.00 ATOM 40 NH1 ARG 5 16.020 48.327 23.369 1.00 0.00 ATOM 41 NH2 ARG 5 17.777 48.085 21.915 1.00 0.00 ATOM 42 O ARG 5 20.533 46.015 28.638 1.00 0.00 ATOM 43 C ARG 5 20.137 44.899 28.299 1.00 0.00 ATOM 44 N MET 6 20.945 43.863 28.134 1.00 0.00 ATOM 45 CA MET 6 22.422 44.018 28.132 1.00 0.00 ATOM 46 CB MET 6 23.093 42.674 28.406 1.00 0.00 ATOM 47 CG MET 6 22.770 42.074 29.767 1.00 0.00 ATOM 48 SD MET 6 23.387 43.078 31.133 1.00 0.00 ATOM 49 CE MET 6 22.550 42.315 32.520 1.00 0.00 ATOM 50 O MET 6 24.103 45.081 26.757 1.00 0.00 ATOM 51 C MET 6 22.973 44.598 26.809 1.00 0.00 ATOM 52 N GLY 7 22.062 44.809 25.874 1.00 0.00 ATOM 53 CA GLY 7 22.381 45.368 24.552 1.00 0.00 ATOM 54 O GLY 7 20.163 44.685 23.898 1.00 0.00 ATOM 55 C GLY 7 21.212 45.250 23.586 1.00 0.00 ATOM 56 N LYS 8 21.394 45.917 22.443 1.00 0.00 ATOM 57 CA LYS 8 20.435 45.844 21.317 1.00 0.00 ATOM 58 CB LYS 8 20.950 46.647 20.122 1.00 0.00 ATOM 59 CG LYS 8 20.012 46.661 18.922 1.00 0.00 ATOM 60 CD LYS 8 20.555 47.540 17.805 1.00 0.00 ATOM 61 CE LYS 8 19.628 47.538 16.599 1.00 0.00 ATOM 62 NZ LYS 8 20.149 48.391 15.496 1.00 0.00 ATOM 63 O LYS 8 18.975 44.044 20.680 1.00 0.00 ATOM 64 C LYS 8 20.131 44.413 20.853 1.00 0.00 ATOM 65 N ASP 9 21.183 43.606 20.877 1.00 0.00 ATOM 66 CA ASP 9 21.102 42.182 20.451 1.00 0.00 ATOM 67 CB ASP 9 22.192 41.867 19.423 1.00 0.00 ATOM 68 CG ASP 9 22.104 42.683 18.141 1.00 0.00 ATOM 69 OD1 ASP 9 21.066 42.670 17.522 1.00 0.00 ATOM 70 OD2 ASP 9 23.011 43.435 17.876 1.00 0.00 ATOM 71 O ASP 9 20.547 40.170 21.657 1.00 0.00 ATOM 72 C ASP 9 21.218 41.202 21.637 1.00 0.00 ATOM 73 N GLU 10 21.845 41.662 22.720 1.00 0.00 ATOM 74 CA GLU 10 22.171 40.811 23.870 1.00 0.00 ATOM 75 CB GLU 10 23.622 41.028 24.302 1.00 0.00 ATOM 76 CG GLU 10 24.059 40.178 25.487 1.00 0.00 ATOM 77 CD GLU 10 25.490 40.452 25.858 1.00 0.00 ATOM 78 OE1 GLU 10 26.102 41.274 25.220 1.00 0.00 ATOM 79 OE2 GLU 10 25.937 39.925 26.849 1.00 0.00 ATOM 80 O GLU 10 21.071 42.249 25.488 1.00 0.00 ATOM 81 C GLU 10 21.201 41.119 25.008 1.00 0.00 ATOM 82 N TYR 11 20.520 40.075 25.420 1.00 0.00 ATOM 83 CA TYR 11 19.554 40.185 26.531 1.00 0.00 ATOM 84 CB TYR 11 18.120 40.113 26.003 1.00 0.00 ATOM 85 CG TYR 11 17.751 41.246 25.072 1.00 0.00 ATOM 86 CD1 TYR 11 18.173 41.250 23.751 1.00 0.00 ATOM 87 CD2 TYR 11 16.981 42.310 25.518 1.00 0.00 ATOM 88 CE1 TYR 11 17.840 42.283 22.896 1.00 0.00 ATOM 89 CE2 TYR 11 16.641 43.348 24.673 1.00 0.00 ATOM 90 CZ TYR 11 17.073 43.331 23.362 1.00 0.00 ATOM 91 OH TYR 11 16.735 44.363 22.516 1.00 0.00 ATOM 92 O TYR 11 20.194 37.963 27.225 1.00 0.00 ATOM 93 C TYR 11 19.798 39.083 27.567 1.00 0.00 ATOM 94 N TYR 12 19.629 39.451 28.832 1.00 0.00 ATOM 95 CA TYR 12 19.867 38.511 29.941 1.00 0.00 ATOM 96 CB TYR 12 21.115 38.918 30.727 1.00 0.00 ATOM 97 CG TYR 12 21.424 38.011 31.898 1.00 0.00 ATOM 98 CD1 TYR 12 21.986 36.758 31.701 1.00 0.00 ATOM 99 CD2 TYR 12 21.153 38.411 33.198 1.00 0.00 ATOM 100 CE1 TYR 12 22.269 35.925 32.766 1.00 0.00 ATOM 101 CE2 TYR 12 21.432 37.587 34.272 1.00 0.00 ATOM 102 CZ TYR 12 21.990 36.345 34.052 1.00 0.00 ATOM 103 OH TYR 12 22.272 35.521 35.117 1.00 0.00 ATOM 104 O TYR 12 18.172 39.459 31.350 1.00 0.00 ATOM 105 C TYR 12 18.662 38.442 30.869 1.00 0.00 ATOM 106 N VAL 13 18.305 37.208 31.220 1.00 0.00 ATOM 107 CA VAL 13 17.158 36.977 32.115 1.00 0.00 ATOM 108 CB VAL 13 16.054 36.180 31.408 1.00 0.00 ATOM 109 CG1 VAL 13 14.887 35.943 32.363 1.00 0.00 ATOM 110 CG2 VAL 13 15.535 36.908 30.163 1.00 0.00 ATOM 111 O VAL 13 18.202 35.163 33.293 1.00 0.00 ATOM 112 C VAL 13 17.616 36.241 33.380 1.00 0.00 ATOM 113 N GLN 14 17.112 36.737 34.506 1.00 0.00 ATOM 114 CA GLN 14 17.218 35.981 35.753 1.00 0.00 ATOM 115 CB GLN 14 18.017 36.772 36.793 1.00 0.00 ATOM 116 CG GLN 14 18.237 36.033 38.102 1.00 0.00 ATOM 117 CD GLN 14 19.121 36.807 39.062 1.00 0.00 ATOM 118 OE1 GLN 14 19.516 37.944 38.784 1.00 0.00 ATOM 119 NE2 GLN 14 19.440 36.195 40.196 1.00 0.00 ATOM 120 O GLN 14 14.901 36.446 36.319 1.00 0.00 ATOM 121 C GLN 14 15.832 35.643 36.315 1.00 0.00 ATOM 122 N ILE 15 15.685 34.387 36.700 1.00 0.00 ATOM 123 CA ILE 15 14.435 33.854 37.273 1.00 0.00 ATOM 124 CB ILE 15 13.715 32.917 36.284 1.00 0.00 ATOM 125 CG1 ILE 15 13.344 33.673 35.006 1.00 0.00 ATOM 126 CG2 ILE 15 12.476 32.316 36.929 1.00 0.00 ATOM 127 CD1 ILE 15 12.824 32.784 33.900 1.00 0.00 ATOM 128 O ILE 15 15.561 32.166 38.517 1.00 0.00 ATOM 129 C ILE 15 14.804 33.122 38.559 1.00 0.00 ATOM 130 N THR 16 14.054 33.446 39.605 1.00 0.00 ATOM 131 CA THR 16 14.193 32.724 40.887 1.00 0.00 ATOM 132 CB THR 16 14.544 33.681 42.040 1.00 0.00 ATOM 133 CG2 THR 16 14.659 32.919 43.351 1.00 0.00 ATOM 134 OG1 THR 16 15.791 34.332 41.760 1.00 0.00 ATOM 135 O THR 16 11.814 32.599 41.211 1.00 0.00 ATOM 136 C THR 16 12.880 32.003 41.162 1.00 0.00 ATOM 137 N VAL 17 13.024 30.694 41.323 1.00 0.00 ATOM 138 CA VAL 17 11.862 29.849 41.600 1.00 0.00 ATOM 139 CB VAL 17 11.648 28.802 40.489 1.00 0.00 ATOM 140 CG1 VAL 17 10.417 27.958 40.785 1.00 0.00 ATOM 141 CG2 VAL 17 11.514 29.482 39.136 1.00 0.00 ATOM 142 O VAL 17 12.657 28.084 43.010 1.00 0.00 ATOM 143 C VAL 17 12.035 29.146 42.944 1.00 0.00 ATOM 144 N ASP 18 11.519 29.773 43.997 1.00 0.00 ATOM 145 CA ASP 18 11.603 29.217 45.363 1.00 0.00 ATOM 146 CB ASP 18 10.737 27.960 45.484 1.00 0.00 ATOM 147 CG ASP 18 9.245 28.206 45.311 1.00 0.00 ATOM 148 OD1 ASP 18 8.729 29.091 45.951 1.00 0.00 ATOM 149 OD2 ASP 18 8.664 27.616 44.430 1.00 0.00 ATOM 150 O ASP 18 13.464 27.768 45.972 1.00 0.00 ATOM 151 C ASP 18 13.073 28.910 45.701 1.00 0.00 ATOM 152 N GLY 19 13.913 29.887 45.388 1.00 0.00 ATOM 153 CA GLY 19 15.346 29.763 45.671 1.00 0.00 ATOM 154 O GLY 19 17.326 29.005 44.627 1.00 0.00 ATOM 155 C GLY 19 16.104 29.054 44.552 1.00 0.00 ATOM 156 N LYS 20 15.408 28.428 43.609 1.00 0.00 ATOM 157 CA LYS 20 16.072 27.815 42.434 1.00 0.00 ATOM 158 CB LYS 20 15.134 26.822 41.746 1.00 0.00 ATOM 159 CG LYS 20 14.817 25.581 42.570 1.00 0.00 ATOM 160 CD LYS 20 13.905 24.630 41.810 1.00 0.00 ATOM 161 CE LYS 20 13.593 23.388 42.631 1.00 0.00 ATOM 162 NZ LYS 20 12.700 22.448 41.900 1.00 0.00 ATOM 163 O LYS 20 15.795 29.848 41.203 1.00 0.00 ATOM 164 C LYS 20 16.521 28.894 41.454 1.00 0.00 ATOM 165 N GLU 21 17.611 28.577 40.757 1.00 0.00 ATOM 166 CA GLU 21 18.208 29.590 39.877 1.00 0.00 ATOM 167 CB GLU 21 19.679 29.811 40.235 1.00 0.00 ATOM 168 CG GLU 21 19.905 30.454 41.597 1.00 0.00 ATOM 169 CD GLU 21 21.366 30.708 41.846 1.00 0.00 ATOM 170 OE1 GLU 21 22.156 30.414 40.981 1.00 0.00 ATOM 171 OE2 GLU 21 21.682 31.298 42.851 1.00 0.00 ATOM 172 O GLU 21 18.412 28.091 37.972 1.00 0.00 ATOM 173 C GLU 21 18.088 29.204 38.393 1.00 0.00 ATOM 174 N VAL 22 17.269 30.000 37.718 1.00 0.00 ATOM 175 CA VAL 22 17.010 29.873 36.271 1.00 0.00 ATOM 176 CB VAL 22 15.503 29.753 35.975 1.00 0.00 ATOM 177 CG1 VAL 22 15.250 29.795 34.475 1.00 0.00 ATOM 178 CG2 VAL 22 14.944 28.471 36.572 1.00 0.00 ATOM 179 O VAL 22 17.192 32.226 35.915 1.00 0.00 ATOM 180 C VAL 22 17.621 31.117 35.624 1.00 0.00 ATOM 181 N HIS 23 18.603 30.882 34.758 1.00 0.00 ATOM 182 CA HIS 23 19.220 31.986 34.012 1.00 0.00 ATOM 183 CB HIS 23 20.654 32.229 34.492 1.00 0.00 ATOM 184 CG HIS 23 20.769 32.426 35.972 1.00 0.00 ATOM 185 CD2 HIS 23 21.070 31.559 36.966 1.00 0.00 ATOM 186 ND1 HIS 23 20.561 33.648 36.577 1.00 0.00 ATOM 187 CE1 HIS 23 20.728 33.522 37.882 1.00 0.00 ATOM 188 NE2 HIS 23 21.037 32.266 38.143 1.00 0.00 ATOM 189 O HIS 23 19.327 30.524 32.114 1.00 0.00 ATOM 190 C HIS 23 19.197 31.684 32.527 1.00 0.00 ATOM 191 N SER 24 18.907 32.730 31.777 1.00 0.00 ATOM 192 CA SER 24 18.841 32.641 30.312 1.00 0.00 ATOM 193 CB SER 24 17.374 32.624 29.899 1.00 0.00 ATOM 194 OG SER 24 17.229 32.666 28.484 1.00 0.00 ATOM 195 O SER 24 19.515 34.942 30.112 1.00 0.00 ATOM 196 C SER 24 19.555 33.798 29.642 1.00 0.00 ATOM 197 N LYS 25 20.232 33.467 28.546 1.00 0.00 ATOM 198 CA LYS 25 20.931 34.473 27.734 1.00 0.00 ATOM 199 CB LYS 25 22.442 34.379 27.948 1.00 0.00 ATOM 200 CG LYS 25 23.248 35.455 27.231 1.00 0.00 ATOM 201 CD LYS 25 24.731 35.337 27.546 1.00 0.00 ATOM 202 CE LYS 25 25.538 36.406 26.823 1.00 0.00 ATOM 203 NZ LYS 25 26.984 36.339 27.166 1.00 0.00 ATOM 204 O LYS 25 20.525 33.144 25.761 1.00 0.00 ATOM 205 C LYS 25 20.564 34.268 26.258 1.00 0.00 ATOM 206 N ALA 26 20.223 35.383 25.629 1.00 0.00 ATOM 207 CA ALA 26 19.885 35.404 24.194 1.00 0.00 ATOM 208 CB ALA 26 18.362 35.501 24.009 1.00 0.00 ATOM 209 O ALA 26 20.385 37.724 23.808 1.00 0.00 ATOM 210 C ALA 26 20.577 36.559 23.473 1.00 0.00 ATOM 211 N ASP 27 21.364 36.176 22.469 1.00 0.00 ATOM 212 CA ASP 27 22.007 37.149 21.562 1.00 0.00 ATOM 213 CB ASP 27 23.518 36.917 21.512 1.00 0.00 ATOM 214 CG ASP 27 24.277 37.901 20.633 1.00 0.00 ATOM 215 OD1 ASP 27 23.643 38.706 19.991 1.00 0.00 ATOM 216 OD2 ASP 27 25.481 37.948 20.729 1.00 0.00 ATOM 217 O ASP 27 21.583 36.030 19.467 1.00 0.00 ATOM 218 C ASP 27 21.389 37.033 20.173 1.00 0.00 ATOM 219 N ASN 28 20.491 37.972 19.913 1.00 0.00 ATOM 220 CA ASN 28 19.819 38.030 18.619 1.00 0.00 ATOM 221 CB ASN 28 18.473 38.723 18.724 1.00 0.00 ATOM 222 CG ASN 28 17.679 38.700 17.447 1.00 0.00 ATOM 223 ND2 ASN 28 16.393 38.905 17.578 1.00 0.00 ATOM 224 OD1 ASN 28 18.234 38.571 16.350 1.00 0.00 ATOM 225 O ASN 28 20.740 39.949 17.505 1.00 0.00 ATOM 226 C ASN 28 20.677 38.722 17.560 1.00 0.00 ATOM 227 N GLY 29 21.193 37.925 16.635 1.00 0.00 ATOM 228 CA GLY 29 21.941 38.400 15.456 1.00 0.00 ATOM 229 O GLY 29 19.830 38.862 14.352 1.00 0.00 ATOM 230 C GLY 29 21.063 38.869 14.313 1.00 0.00 ATOM 231 N GLN 30 21.756 39.114 13.215 1.00 0.00 ATOM 232 CA GLN 30 21.060 39.617 12.013 1.00 0.00 ATOM 233 CB GLN 30 22.069 40.168 11.002 1.00 0.00 ATOM 234 CG GLN 30 21.438 40.757 9.751 1.00 0.00 ATOM 235 CD GLN 30 22.470 41.321 8.793 1.00 0.00 ATOM 236 OE1 GLN 30 23.677 41.198 9.016 1.00 0.00 ATOM 237 NE2 GLN 30 22.000 41.948 7.721 1.00 0.00 ATOM 238 O GLN 30 19.057 38.708 11.032 1.00 0.00 ATOM 239 C GLN 30 20.226 38.528 11.362 1.00 0.00 ATOM 240 N LYS 31 20.875 37.390 11.155 1.00 0.00 ATOM 241 CA LYS 31 20.178 36.230 10.573 1.00 0.00 ATOM 242 CB LYS 31 20.725 35.920 9.179 1.00 0.00 ATOM 243 CG LYS 31 20.478 37.015 8.149 1.00 0.00 ATOM 244 CD LYS 31 21.042 36.633 6.788 1.00 0.00 ATOM 245 CE LYS 31 20.947 37.788 5.804 1.00 0.00 ATOM 246 NZ LYS 31 21.513 37.435 4.474 1.00 0.00 ATOM 247 O LYS 31 20.036 33.854 11.006 1.00 0.00 ATOM 248 C LYS 31 20.285 34.978 11.449 1.00 0.00 ATOM 249 N TYR 32 20.646 35.192 12.715 1.00 0.00 ATOM 250 CA TYR 32 20.867 34.084 13.659 1.00 0.00 ATOM 251 CB TYR 32 22.325 33.629 13.604 1.00 0.00 ATOM 252 CG TYR 32 23.313 34.701 14.068 1.00 0.00 ATOM 253 CD1 TYR 32 23.684 34.751 15.412 1.00 0.00 ATOM 254 CD2 TYR 32 23.840 35.602 13.154 1.00 0.00 ATOM 255 CE1 TYR 32 24.583 35.725 15.834 1.00 0.00 ATOM 256 CE2 TYR 32 24.740 36.574 13.586 1.00 0.00 ATOM 257 CZ TYR 32 25.090 36.628 14.920 1.00 0.00 ATOM 258 OH TYR 32 25.994 37.516 15.371 1.00 0.00 ATOM 259 O TYR 32 20.344 35.685 15.372 1.00 0.00 ATOM 260 C TYR 32 20.516 34.505 15.086 1.00 0.00 ATOM 261 N LYS 33 20.372 33.508 15.951 1.00 0.00 ATOM 262 CA LYS 33 20.076 33.746 17.361 1.00 0.00 ATOM 263 CB LYS 33 18.569 33.646 17.573 1.00 0.00 ATOM 264 CG LYS 33 17.793 34.841 16.992 1.00 0.00 ATOM 265 CD LYS 33 16.358 34.906 17.519 1.00 0.00 ATOM 266 CE LYS 33 15.521 33.722 17.047 1.00 0.00 ATOM 267 NZ LYS 33 14.208 33.653 17.664 1.00 0.00 ATOM 268 O LYS 33 20.534 31.508 18.056 1.00 0.00 ATOM 269 C LYS 33 20.791 32.701 18.215 1.00 0.00 ATOM 270 N ASP 34 21.673 33.169 19.083 1.00 0.00 ATOM 271 CA ASP 34 22.423 32.208 19.898 1.00 0.00 ATOM 272 CB ASP 34 23.920 32.528 19.864 1.00 0.00 ATOM 273 CG ASP 34 24.788 31.560 20.655 1.00 0.00 ATOM 274 OD1 ASP 34 24.244 30.690 21.294 1.00 0.00 ATOM 275 OD2 ASP 34 25.984 31.595 20.491 1.00 0.00 ATOM 276 O ASP 34 21.766 33.241 21.999 1.00 0.00 ATOM 277 C ASP 34 21.910 32.203 21.359 1.00 0.00 ATOM 278 N TYR 35 21.190 31.114 21.605 1.00 0.00 ATOM 279 CA TYR 35 20.503 30.874 22.886 1.00 0.00 ATOM 280 CB TYR 35 19.141 30.203 22.674 1.00 0.00 ATOM 281 CG TYR 35 18.084 31.140 22.072 1.00 0.00 ATOM 282 CD1 TYR 35 17.869 31.171 20.707 1.00 0.00 ATOM 283 CD2 TYR 35 17.326 31.960 22.894 1.00 0.00 ATOM 284 CE1 TYR 35 16.906 32.012 20.162 1.00 0.00 ATOM 285 CE2 TYR 35 16.364 32.800 22.358 1.00 0.00 ATOM 286 CZ TYR 35 16.148 32.822 20.982 1.00 0.00 ATOM 287 OH TYR 35 15.182 33.622 20.441 1.00 0.00 ATOM 288 O TYR 35 21.886 28.977 23.431 1.00 0.00 ATOM 289 C TYR 35 21.344 30.010 23.823 1.00 0.00 ATOM 290 N GLU 36 21.338 30.396 25.088 1.00 0.00 ATOM 291 CA GLU 36 21.967 29.602 26.160 1.00 0.00 ATOM 292 CB GLU 36 23.398 30.083 26.414 1.00 0.00 ATOM 293 CG GLU 36 24.138 29.310 27.496 1.00 0.00 ATOM 294 CD GLU 36 25.561 29.780 27.626 1.00 0.00 ATOM 295 OE1 GLU 36 25.956 30.631 26.867 1.00 0.00 ATOM 296 OE2 GLU 36 26.218 29.369 28.553 1.00 0.00 ATOM 297 O GLU 36 20.531 30.741 27.722 1.00 0.00 ATOM 298 C GLU 36 21.125 29.701 27.419 1.00 0.00 ATOM 299 N TYR 37 20.973 28.553 28.061 1.00 0.00 ATOM 300 CA TYR 37 20.167 28.472 29.284 1.00 0.00 ATOM 301 CB TYR 37 18.816 27.844 28.978 1.00 0.00 ATOM 302 CG TYR 37 17.946 28.617 27.977 1.00 0.00 ATOM 303 CD1 TYR 37 18.162 28.511 26.616 1.00 0.00 ATOM 304 CD2 TYR 37 16.938 29.433 28.459 1.00 0.00 ATOM 305 CE1 TYR 37 17.401 29.232 25.718 1.00 0.00 ATOM 306 CE2 TYR 37 16.177 30.155 27.550 1.00 0.00 ATOM 307 CZ TYR 37 16.405 30.068 26.192 1.00 0.00 ATOM 308 OH TYR 37 15.621 30.747 25.309 1.00 0.00 ATOM 309 O TYR 37 21.529 26.630 30.029 1.00 0.00 ATOM 310 C TYR 37 20.873 27.632 30.349 1.00 0.00 ATOM 311 N LYS 38 20.676 28.025 31.597 1.00 0.00 ATOM 312 CA LYS 38 21.323 27.324 32.722 1.00 0.00 ATOM 313 CB LYS 38 22.672 27.967 33.048 1.00 0.00 ATOM 314 CG LYS 38 23.455 27.262 34.149 1.00 0.00 ATOM 315 CD LYS 38 24.815 27.910 34.362 1.00 0.00 ATOM 316 CE LYS 38 25.784 27.543 33.248 1.00 0.00 ATOM 317 NZ LYS 38 27.151 28.073 33.503 1.00 0.00 ATOM 318 O LYS 38 19.933 28.348 34.430 1.00 0.00 ATOM 319 C LYS 38 20.433 27.318 33.967 1.00 0.00 ATOM 320 N LEU 39 20.131 26.106 34.422 1.00 0.00 ATOM 321 CA LEU 39 19.306 25.917 35.630 1.00 0.00 ATOM 322 CB LEU 39 18.095 25.031 35.313 1.00 0.00 ATOM 323 CG LEU 39 17.045 24.935 36.427 1.00 0.00 ATOM 324 CD1 LEU 39 15.647 24.910 35.825 1.00 0.00 ATOM 325 CD2 LEU 39 17.297 23.687 37.258 1.00 0.00 ATOM 326 O LEU 39 20.979 24.434 36.460 1.00 0.00 ATOM 327 C LEU 39 20.161 25.313 36.735 1.00 0.00 ATOM 328 N THR 40 19.875 25.727 37.957 1.00 0.00 ATOM 329 CA THR 40 20.621 25.244 39.131 1.00 0.00 ATOM 330 CB THR 40 21.726 26.233 39.545 1.00 0.00 ATOM 331 CG2 THR 40 22.495 25.702 40.745 1.00 0.00 ATOM 332 OG1 THR 40 22.630 26.430 38.450 1.00 0.00 ATOM 333 O THR 40 18.715 25.805 40.531 1.00 0.00 ATOM 334 C THR 40 19.652 25.022 40.297 1.00 0.00 ATOM 335 N GLY 41 19.875 23.909 40.979 1.00 0.00 ATOM 336 CA GLY 41 19.114 23.523 42.180 1.00 0.00 ATOM 337 O GLY 41 20.926 22.090 42.782 1.00 0.00 ATOM 338 C GLY 41 20.007 22.789 43.175 1.00 0.00 ATOM 339 N PHE 42 19.527 22.771 44.412 1.00 0.00 ATOM 340 CA PHE 42 20.267 22.098 45.499 1.00 0.00 ATOM 341 CB PHE 42 21.347 23.044 46.015 1.00 0.00 ATOM 342 CG PHE 42 22.152 22.418 47.158 1.00 0.00 ATOM 343 CD1 PHE 42 23.006 21.347 46.937 1.00 0.00 ATOM 344 CD2 PHE 42 22.056 22.951 48.434 1.00 0.00 ATOM 345 CE1 PHE 42 23.744 20.803 47.961 1.00 0.00 ATOM 346 CE2 PHE 42 22.794 22.405 49.478 1.00 0.00 ATOM 347 CZ PHE 42 23.638 21.326 49.246 1.00 0.00 ATOM 348 O PHE 42 18.539 22.572 47.065 1.00 0.00 ATOM 349 C PHE 42 19.346 21.732 46.654 1.00 0.00 ATOM 350 N ASP 43 19.314 20.440 46.942 1.00 0.00 ATOM 351 CA ASP 43 18.491 19.921 48.045 1.00 0.00 ATOM 352 CB ASP 43 18.011 18.492 47.745 1.00 0.00 ATOM 353 CG ASP 43 19.112 17.424 47.723 1.00 0.00 ATOM 354 OD1 ASP 43 20.221 17.712 48.219 1.00 0.00 ATOM 355 OD2 ASP 43 18.812 16.277 47.328 1.00 0.00 ATOM 356 O ASP 43 20.377 20.475 49.474 1.00 0.00 ATOM 357 C ASP 43 19.254 19.993 49.375 1.00 0.00 ATOM 358 N LYS 44 18.581 19.501 50.409 1.00 0.00 ATOM 359 CA LYS 44 19.138 19.496 51.752 1.00 0.00 ATOM 360 CB LYS 44 18.034 19.704 52.790 1.00 0.00 ATOM 361 CG LYS 44 17.342 21.057 52.712 1.00 0.00 ATOM 362 CD LYS 44 16.298 21.210 53.806 1.00 0.00 ATOM 363 CE LYS 44 15.572 22.544 53.699 1.00 0.00 ATOM 364 NZ LYS 44 14.564 22.716 54.780 1.00 0.00 ATOM 365 O LYS 44 20.443 18.090 53.203 1.00 0.00 ATOM 366 C LYS 44 19.910 18.202 52.097 1.00 0.00 ATOM 367 N ASP 45 20.047 17.335 51.097 1.00 0.00 ATOM 368 CA ASP 45 20.807 16.080 51.236 1.00 0.00 ATOM 369 CB ASP 45 20.042 14.916 50.601 1.00 0.00 ATOM 370 CG ASP 45 18.702 14.611 51.259 1.00 0.00 ATOM 371 OD1 ASP 45 18.659 14.530 52.464 1.00 0.00 ATOM 372 OD2 ASP 45 17.710 14.616 50.570 1.00 0.00 ATOM 373 O ASP 45 22.937 15.157 50.651 1.00 0.00 ATOM 374 C ASP 45 22.211 16.152 50.618 1.00 0.00 ATOM 375 N GLY 46 22.625 17.356 50.231 1.00 0.00 ATOM 376 CA GLY 46 23.947 17.662 49.646 1.00 0.00 ATOM 377 O GLY 46 25.174 16.948 47.691 1.00 0.00 ATOM 378 C GLY 46 24.078 17.276 48.168 1.00 0.00 ATOM 379 N LYS 47 22.943 17.228 47.483 1.00 0.00 ATOM 380 CA LYS 47 22.900 16.910 46.047 1.00 0.00 ATOM 381 CB LYS 47 21.772 15.932 45.719 1.00 0.00 ATOM 382 CG LYS 47 21.955 14.573 46.377 1.00 0.00 ATOM 383 CD LYS 47 20.857 13.617 45.940 1.00 0.00 ATOM 384 CE LYS 47 21.071 12.265 46.599 1.00 0.00 ATOM 385 NZ LYS 47 20.165 11.229 46.118 1.00 0.00 ATOM 386 O LYS 47 21.602 18.806 45.308 1.00 0.00 ATOM 387 C LYS 47 22.679 18.218 45.271 1.00 0.00 ATOM 388 N GLU 48 23.725 18.615 44.561 1.00 0.00 ATOM 389 CA GLU 48 23.655 19.818 43.718 1.00 0.00 ATOM 390 CB GLU 48 24.886 20.700 43.941 1.00 0.00 ATOM 391 CG GLU 48 24.906 21.973 43.107 1.00 0.00 ATOM 392 CD GLU 48 26.149 22.777 43.367 1.00 0.00 ATOM 393 OE1 GLU 48 26.952 22.353 44.162 1.00 0.00 ATOM 394 OE2 GLU 48 26.350 23.759 42.691 1.00 0.00 ATOM 395 O GLU 48 24.149 18.429 41.803 1.00 0.00 ATOM 396 C GLU 48 23.533 19.399 42.259 1.00 0.00 ATOM 397 N LYS 49 22.506 19.952 41.635 1.00 0.00 ATOM 398 CA LYS 49 22.224 19.640 40.224 1.00 0.00 ATOM 399 CB LYS 49 20.892 18.900 40.095 1.00 0.00 ATOM 400 CG LYS 49 20.879 17.514 40.727 1.00 0.00 ATOM 401 CD LYS 49 19.538 16.824 40.520 1.00 0.00 ATOM 402 CE LYS 49 19.520 15.444 41.161 1.00 0.00 ATOM 403 NZ LYS 49 18.218 14.753 40.958 1.00 0.00 ATOM 404 O LYS 49 21.595 21.907 39.788 1.00 0.00 ATOM 405 C LYS 49 22.209 20.907 39.399 1.00 0.00 ATOM 406 N GLU 50 22.718 20.767 38.190 1.00 0.00 ATOM 407 CA GLU 50 22.690 21.899 37.256 1.00 0.00 ATOM 408 CB GLU 50 23.995 22.694 37.338 1.00 0.00 ATOM 409 CG GLU 50 24.033 23.935 36.458 1.00 0.00 ATOM 410 CD GLU 50 25.331 24.675 36.611 1.00 0.00 ATOM 411 OE1 GLU 50 25.655 25.046 37.715 1.00 0.00 ATOM 412 OE2 GLU 50 26.054 24.773 35.648 1.00 0.00 ATOM 413 O GLU 50 22.622 20.183 35.547 1.00 0.00 ATOM 414 C GLU 50 22.451 21.371 35.844 1.00 0.00 ATOM 415 N LEU 51 21.630 22.147 35.167 1.00 0.00 ATOM 416 CA LEU 51 21.167 21.800 33.824 1.00 0.00 ATOM 417 CB LEU 51 19.639 21.659 33.811 1.00 0.00 ATOM 418 CG LEU 51 19.076 20.585 34.751 1.00 0.00 ATOM 419 CD1 LEU 51 17.554 20.629 34.739 1.00 0.00 ATOM 420 CD2 LEU 51 19.579 19.216 34.321 1.00 0.00 ATOM 421 O LEU 51 21.118 23.973 32.841 1.00 0.00 ATOM 422 C LEU 51 21.622 22.852 32.820 1.00 0.00 ATOM 423 N GLU 52 22.519 22.422 31.949 1.00 0.00 ATOM 424 CA GLU 52 23.094 23.333 30.935 1.00 0.00 ATOM 425 CB GLU 52 24.622 23.238 30.933 1.00 0.00 ATOM 426 CG GLU 52 25.285 23.753 32.204 1.00 0.00 ATOM 427 CD GLU 52 26.782 23.658 32.115 1.00 0.00 ATOM 428 OE1 GLU 52 27.272 23.226 31.100 1.00 0.00 ATOM 429 OE2 GLU 52 27.441 24.120 33.017 1.00 0.00 ATOM 430 O GLU 52 22.560 21.853 29.105 1.00 0.00 ATOM 431 C GLU 52 22.530 22.999 29.555 1.00 0.00 ATOM 432 N PHE 53 21.982 24.037 28.949 1.00 0.00 ATOM 433 CA PHE 53 21.445 23.910 27.598 1.00 0.00 ATOM 434 CB PHE 53 19.919 24.024 27.617 1.00 0.00 ATOM 435 CG PHE 53 19.287 23.930 26.256 1.00 0.00 ATOM 436 CD1 PHE 53 19.143 22.703 25.627 1.00 0.00 ATOM 437 CD2 PHE 53 18.839 25.069 25.604 1.00 0.00 ATOM 438 CE1 PHE 53 18.562 22.616 24.375 1.00 0.00 ATOM 439 CE2 PHE 53 18.258 24.984 24.354 1.00 0.00 ATOM 440 CZ PHE 53 18.119 23.756 23.739 1.00 0.00 ATOM 441 O PHE 53 22.003 26.159 26.959 1.00 0.00 ATOM 442 C PHE 53 22.044 24.971 26.664 1.00 0.00 ATOM 443 N THR 54 22.435 24.470 25.499 1.00 0.00 ATOM 444 CA THR 54 23.017 25.344 24.458 1.00 0.00 ATOM 445 CB THR 54 24.536 25.126 24.321 1.00 0.00 ATOM 446 CG2 THR 54 25.110 26.036 23.247 1.00 0.00 ATOM 447 OG1 THR 54 25.176 25.406 25.573 1.00 0.00 ATOM 448 O THR 54 22.248 23.929 22.661 1.00 0.00 ATOM 449 C THR 54 22.329 25.075 23.120 1.00 0.00 ATOM 450 N ALA 55 21.985 26.175 22.459 1.00 0.00 ATOM 451 CA ALA 55 21.402 26.111 21.117 1.00 0.00 ATOM 452 CB ALA 55 20.006 26.727 21.143 1.00 0.00 ATOM 453 O ALA 55 22.894 27.864 20.445 1.00 0.00 ATOM 454 C ALA 55 22.314 26.831 20.121 1.00 0.00 ATOM 455 N GLN 56 22.477 26.227 18.955 1.00 0.00 ATOM 456 CA GLN 56 23.227 26.835 17.835 1.00 0.00 ATOM 457 CB GLN 56 23.288 25.873 16.646 1.00 0.00 ATOM 458 CG GLN 56 24.061 24.594 16.920 1.00 0.00 ATOM 459 CD GLN 56 25.528 24.854 17.207 1.00 0.00 ATOM 460 OE1 GLN 56 26.191 25.606 16.487 1.00 0.00 ATOM 461 NE2 GLN 56 26.044 24.231 18.260 1.00 0.00 ATOM 462 O GLN 56 21.376 28.346 17.427 1.00 0.00 ATOM 463 C GLN 56 22.595 28.161 17.392 1.00 0.00 ATOM 464 N LYS 57 23.402 28.968 16.712 1.00 0.00 ATOM 465 CA LYS 57 22.948 30.279 16.203 1.00 0.00 ATOM 466 CB LYS 57 24.119 31.054 15.599 1.00 0.00 ATOM 467 CG LYS 57 24.659 30.469 14.301 1.00 0.00 ATOM 468 CD LYS 57 25.789 31.318 13.738 1.00 0.00 ATOM 469 CE LYS 57 26.329 30.732 12.441 1.00 0.00 ATOM 470 NZ LYS 57 27.475 31.520 11.909 1.00 0.00 ATOM 471 O LYS 57 20.872 30.928 15.124 1.00 0.00 ATOM 472 C LYS 57 21.827 30.158 15.154 1.00 0.00 ATOM 473 N ASN 58 21.946 29.128 14.314 1.00 0.00 ATOM 474 CA ASN 58 20.934 28.866 13.275 1.00 0.00 ATOM 475 CB ASN 58 21.558 28.246 12.037 1.00 0.00 ATOM 476 CG ASN 58 22.427 29.195 11.259 1.00 0.00 ATOM 477 ND2 ASN 58 23.326 28.635 10.490 1.00 0.00 ATOM 478 OD1 ASN 58 22.237 30.416 11.297 1.00 0.00 ATOM 479 O ASN 58 18.933 27.598 12.992 1.00 0.00 ATOM 480 C ASN 58 19.805 27.979 13.767 1.00 0.00 ATOM 481 N LEU 59 19.859 27.590 15.035 1.00 0.00 ATOM 482 CA LEU 59 18.826 26.732 15.631 1.00 0.00 ATOM 483 CB LEU 59 17.467 27.427 15.718 1.00 0.00 ATOM 484 CG LEU 59 17.510 28.760 16.465 1.00 0.00 ATOM 485 CD1 LEU 59 16.132 29.388 16.392 1.00 0.00 ATOM 486 CD2 LEU 59 17.927 28.599 17.920 1.00 0.00 ATOM 487 O LEU 59 17.650 24.764 14.864 1.00 0.00 ATOM 488 C LEU 59 18.693 25.407 14.875 1.00 0.00 ATOM 489 N ARG 60 19.829 24.960 14.362 1.00 0.00 ATOM 490 CA ARG 60 19.802 23.709 13.605 1.00 0.00 ATOM 491 CB ARG 60 20.490 23.840 12.254 1.00 0.00 ATOM 492 CG ARG 60 19.815 24.795 11.282 1.00 0.00 ATOM 493 CD ARG 60 20.478 24.888 9.956 1.00 0.00 ATOM 494 NE ARG 60 19.849 25.820 9.033 1.00 0.00 ATOM 495 CZ ARG 60 20.328 26.125 7.812 1.00 0.00 ATOM 496 NH1 ARG 60 21.455 25.608 7.376 1.00 0.00 ATOM 497 NH2 ARG 60 19.645 26.980 7.070 1.00 0.00 ATOM 498 O ARG 60 20.337 21.422 13.949 1.00 0.00 ATOM 499 C ARG 60 20.386 22.549 14.415 1.00 0.00 ATOM 500 N LYS 61 20.740 22.804 15.676 1.00 0.00 ATOM 501 CA LYS 61 21.150 21.787 16.661 1.00 0.00 ATOM 502 CB LYS 61 22.580 21.320 16.385 1.00 0.00 ATOM 503 CG LYS 61 23.052 20.181 17.279 1.00 0.00 ATOM 504 CD LYS 61 24.446 19.711 16.887 1.00 0.00 ATOM 505 CE LYS 61 24.885 18.520 17.725 1.00 0.00 ATOM 506 NZ LYS 61 26.259 18.068 17.373 1.00 0.00 ATOM 507 O LYS 61 21.265 23.471 18.354 1.00 0.00 ATOM 508 C LYS 61 21.047 22.297 18.106 1.00 0.00 ATOM 509 N GLU 62 20.880 21.373 19.041 1.00 0.00 ATOM 510 CA GLU 62 20.774 21.714 20.473 1.00 0.00 ATOM 511 CB GLU 62 19.317 21.940 20.870 1.00 0.00 ATOM 512 CG GLU 62 18.416 20.701 20.765 1.00 0.00 ATOM 513 CD GLU 62 16.921 21.026 20.975 1.00 0.00 ATOM 514 OE1 GLU 62 16.583 22.225 20.994 1.00 0.00 ATOM 515 OE2 GLU 62 16.115 20.072 20.948 1.00 0.00 ATOM 516 O GLU 62 21.418 19.468 21.043 1.00 0.00 ATOM 517 C GLU 62 21.399 20.659 21.378 1.00 0.00 ATOM 518 N ALA 63 21.984 21.100 22.479 1.00 0.00 ATOM 519 CA ALA 63 22.610 20.169 23.442 1.00 0.00 ATOM 520 CB ALA 63 24.131 20.281 23.352 1.00 0.00 ATOM 521 O ALA 63 22.056 21.581 25.300 1.00 0.00 ATOM 522 C ALA 63 22.157 20.437 24.869 1.00 0.00 ATOM 523 N PHE 64 21.910 19.338 25.580 1.00 0.00 ATOM 524 CA PHE 64 21.503 19.422 26.991 1.00 0.00 ATOM 525 CB PHE 64 20.016 19.116 27.074 1.00 0.00 ATOM 526 CG PHE 64 19.386 19.315 28.444 1.00 0.00 ATOM 527 CD1 PHE 64 19.448 20.565 29.038 1.00 0.00 ATOM 528 CD2 PHE 64 18.769 18.255 29.085 1.00 0.00 ATOM 529 CE1 PHE 64 18.904 20.752 30.294 1.00 0.00 ATOM 530 CE2 PHE 64 18.236 18.440 30.351 1.00 0.00 ATOM 531 CZ PHE 64 18.298 19.689 30.956 1.00 0.00 ATOM 532 O PHE 64 22.256 17.239 27.709 1.00 0.00 ATOM 533 C PHE 64 22.295 18.469 27.867 1.00 0.00 ATOM 534 N LEU 65 23.018 19.063 28.805 1.00 0.00 ATOM 535 CA LEU 65 23.865 18.282 29.724 1.00 0.00 ATOM 536 CB LEU 65 25.341 18.655 29.532 1.00 0.00 ATOM 537 CG LEU 65 26.320 17.954 30.481 1.00 0.00 ATOM 538 CD1 LEU 65 26.338 16.457 30.199 1.00 0.00 ATOM 539 CD2 LEU 65 27.709 18.550 30.309 1.00 0.00 ATOM 540 O LEU 65 23.277 19.618 31.643 1.00 0.00 ATOM 541 C LEU 65 23.440 18.504 31.175 1.00 0.00 ATOM 542 N ARG 66 23.190 17.382 31.832 1.00 0.00 ATOM 543 CA ARG 66 22.899 17.412 33.275 1.00 0.00 ATOM 544 CB ARG 66 21.838 16.395 33.668 1.00 0.00 ATOM 545 CG ARG 66 21.533 16.332 35.155 1.00 0.00 ATOM 546 CD ARG 66 20.381 15.462 35.509 1.00 0.00 ATOM 547 NE ARG 66 20.624 14.040 35.332 1.00 0.00 ATOM 548 CZ ARG 66 19.695 13.078 35.503 1.00 0.00 ATOM 549 NH1 ARG 66 18.475 13.376 35.892 1.00 0.00 ATOM 550 NH2 ARG 66 20.051 11.823 35.294 1.00 0.00 ATOM 551 O ARG 66 25.028 16.367 33.733 1.00 0.00 ATOM 552 C ARG 66 24.220 17.230 34.046 1.00 0.00 ATOM 553 N VAL 67 24.372 18.061 35.066 1.00 0.00 ATOM 554 CA VAL 67 25.555 18.008 35.949 1.00 0.00 ATOM 555 CB VAL 67 26.383 19.304 35.864 1.00 0.00 ATOM 556 CG1 VAL 67 27.571 19.240 36.812 1.00 0.00 ATOM 557 CG2 VAL 67 26.854 19.544 34.438 1.00 0.00 ATOM 558 O VAL 67 24.150 18.364 37.888 1.00 0.00 ATOM 559 C VAL 67 25.113 17.767 37.386 1.00 0.00 ATOM 560 N TYR 68 25.754 16.777 37.957 1.00 0.00 ATOM 561 CA TYR 68 25.502 16.405 39.354 1.00 0.00 ATOM 562 CB TYR 68 24.952 14.984 39.410 1.00 0.00 ATOM 563 CG TYR 68 24.759 14.461 40.835 1.00 0.00 ATOM 564 CD1 TYR 68 23.679 14.889 41.608 1.00 0.00 ATOM 565 CD2 TYR 68 25.677 13.566 41.364 1.00 0.00 ATOM 566 CE1 TYR 68 23.537 14.421 42.898 1.00 0.00 ATOM 567 CE2 TYR 68 25.546 13.106 42.665 1.00 0.00 ATOM 568 CZ TYR 68 24.466 13.535 43.428 1.00 0.00 ATOM 569 OH TYR 68 24.269 13.029 44.664 1.00 0.00 ATOM 570 O TYR 68 27.852 16.039 39.750 1.00 0.00 ATOM 571 C TYR 68 26.786 16.514 40.166 1.00 0.00 ATOM 572 N HIS 69 26.620 17.076 41.346 1.00 0.00 ATOM 573 CA HIS 69 27.707 17.168 42.330 1.00 0.00 ATOM 574 CB HIS 69 28.242 18.603 42.408 1.00 0.00 ATOM 575 CG HIS 69 29.411 18.729 43.386 1.00 0.00 ATOM 576 CD2 HIS 69 29.410 19.348 44.571 1.00 0.00 ATOM 577 ND1 HIS 69 30.633 18.241 43.198 1.00 0.00 ATOM 578 CE1 HIS 69 31.376 18.544 44.247 1.00 0.00 ATOM 579 NE2 HIS 69 30.629 19.229 45.090 1.00 0.00 ATOM 580 O HIS 69 26.052 16.952 44.084 1.00 0.00 ATOM 581 C HIS 69 27.196 16.700 43.698 1.00 0.00 ATOM 582 N SER 70 28.011 15.871 44.318 1.00 0.00 ATOM 583 CA SER 70 27.741 15.413 45.683 1.00 0.00 ATOM 584 CB SER 70 27.907 13.899 45.775 1.00 0.00 ATOM 585 OG SER 70 27.806 13.420 47.124 1.00 0.00 ATOM 586 O SER 70 29.919 15.767 46.554 1.00 0.00 ATOM 587 C SER 70 28.731 16.074 46.636 1.00 0.00 ATOM 588 N ASP 71 28.169 16.777 47.610 1.00 0.00 ATOM 589 CA ASP 71 28.955 17.353 48.716 1.00 0.00 ATOM 590 CB ASP 71 28.187 18.497 49.383 1.00 0.00 ATOM 591 CG ASP 71 28.100 19.767 48.547 1.00 0.00 ATOM 592 OD1 ASP 71 28.824 19.873 47.586 1.00 0.00 ATOM 593 OD2 ASP 71 27.207 20.547 48.781 1.00 0.00 ATOM 594 O ASP 71 30.383 16.303 50.376 1.00 0.00 ATOM 595 C ASP 71 29.322 16.290 49.765 1.00 0.00 ATOM 596 N LYS 72 28.455 15.292 49.874 1.00 0.00 ATOM 597 CA LYS 72 28.666 14.185 50.819 1.00 0.00 ATOM 598 CB LYS 72 27.455 13.250 50.828 1.00 0.00 ATOM 599 CG LYS 72 27.569 12.081 51.797 1.00 0.00 ATOM 600 CD LYS 72 26.306 11.232 51.793 1.00 0.00 ATOM 601 CE LYS 72 26.432 10.046 52.736 1.00 0.00 ATOM 602 NZ LYS 72 25.216 9.189 52.718 1.00 0.00 ATOM 603 O LYS 72 30.788 13.166 51.312 1.00 0.00 ATOM 604 C LYS 72 29.941 13.411 50.461 1.00 0.00 ATOM 605 N LYS 73 29.975 12.983 49.200 1.00 0.00 ATOM 606 CA LYS 73 31.104 12.190 48.699 1.00 0.00 ATOM 607 CB LYS 73 30.620 11.140 47.699 1.00 0.00 ATOM 608 CG LYS 73 29.712 10.072 48.296 1.00 0.00 ATOM 609 CD LYS 73 29.249 9.083 47.237 1.00 0.00 ATOM 610 CE LYS 73 28.342 8.017 47.834 1.00 0.00 ATOM 611 NZ LYS 73 27.915 7.018 46.816 1.00 0.00 ATOM 612 O LYS 73 33.322 12.621 47.855 1.00 0.00 ATOM 613 C LYS 73 32.198 13.072 48.036 1.00 0.00 ATOM 614 N GLY 74 31.891 14.357 47.854 1.00 0.00 ATOM 615 CA GLY 74 32.828 15.369 47.301 1.00 0.00 ATOM 616 O GLY 74 34.402 14.935 45.531 1.00 0.00 ATOM 617 C GLY 74 33.226 15.047 45.857 1.00 0.00 ATOM 618 N VAL 75 32.234 14.699 45.058 1.00 0.00 ATOM 619 CA VAL 75 32.471 14.210 43.675 1.00 0.00 ATOM 620 CB VAL 75 32.254 12.689 43.569 1.00 0.00 ATOM 621 CG1 VAL 75 33.242 11.948 44.458 1.00 0.00 ATOM 622 CG2 VAL 75 30.825 12.327 43.944 1.00 0.00 ATOM 623 O VAL 75 30.490 15.408 43.044 1.00 0.00 ATOM 624 C VAL 75 31.556 14.916 42.676 1.00 0.00 ATOM 625 N SER 76 31.906 14.828 41.407 1.00 0.00 ATOM 626 CA SER 76 31.077 15.376 40.324 1.00 0.00 ATOM 627 CB SER 76 31.718 16.629 39.760 1.00 0.00 ATOM 628 OG SER 76 31.820 17.645 40.719 1.00 0.00 ATOM 629 O SER 76 31.591 13.328 39.217 1.00 0.00 ATOM 630 C SER 76 30.876 14.325 39.234 1.00 0.00 ATOM 631 N ALA 77 29.751 14.409 38.547 1.00 0.00 ATOM 632 CA ALA 77 29.429 13.468 37.464 1.00 0.00 ATOM 633 CB ALA 77 28.794 12.197 38.037 1.00 0.00 ATOM 634 O ALA 77 27.527 14.792 36.828 1.00 0.00 ATOM 635 C ALA 77 28.489 14.128 36.449 1.00 0.00 ATOM 636 N TRP 78 28.868 14.006 35.185 1.00 0.00 ATOM 637 CA TRP 78 28.079 14.575 34.074 1.00 0.00 ATOM 638 CB TRP 78 28.995 15.309 33.092 1.00 0.00 ATOM 639 CG TRP 78 29.622 16.543 33.665 1.00 0.00 ATOM 640 CD1 TRP 78 29.483 17.012 34.937 1.00 0.00 ATOM 641 CD2 TRP 78 30.488 17.463 32.990 1.00 0.00 ATOM 642 CE2 TRP 78 30.834 18.464 33.914 1.00 0.00 ATOM 643 CE3 TRP 78 31.005 17.535 31.691 1.00 0.00 ATOM 644 NE1 TRP 78 30.206 18.168 35.098 1.00 0.00 ATOM 645 CZ2 TRP 78 31.667 19.523 33.585 1.00 0.00 ATOM 646 CZ3 TRP 78 31.841 18.595 31.361 1.00 0.00 ATOM 647 CH2 TRP 78 32.163 19.561 32.282 1.00 0.00 ATOM 648 O TRP 78 27.796 12.428 33.057 1.00 0.00 ATOM 649 C TRP 78 27.285 13.505 33.334 1.00 0.00 ATOM 650 N GLU 79 26.077 13.861 32.928 1.00 0.00 ATOM 651 CA GLU 79 25.242 12.932 32.138 1.00 0.00 ATOM 652 CB GLU 79 24.264 12.184 33.047 1.00 0.00 ATOM 653 CG GLU 79 23.366 11.191 32.323 1.00 0.00 ATOM 654 CD GLU 79 22.500 10.433 33.290 1.00 0.00 ATOM 655 OE1 GLU 79 22.651 10.627 34.472 1.00 0.00 ATOM 656 OE2 GLU 79 21.612 9.743 32.846 1.00 0.00 ATOM 657 O GLU 79 23.735 14.641 31.266 1.00 0.00 ATOM 658 C GLU 79 24.467 13.672 31.030 1.00 0.00 ATOM 659 N GLU 80 24.797 13.307 29.793 1.00 0.00 ATOM 660 CA GLU 80 24.211 13.932 28.597 1.00 0.00 ATOM 661 CB GLU 80 25.024 13.571 27.352 1.00 0.00 ATOM 662 CG GLU 80 24.560 14.259 26.076 1.00 0.00 ATOM 663 CD GLU 80 25.425 13.882 24.906 1.00 0.00 ATOM 664 OE1 GLU 80 26.352 13.132 25.094 1.00 0.00 ATOM 665 OE2 GLU 80 25.094 14.253 23.804 1.00 0.00 ATOM 666 O GLU 80 22.530 12.262 28.334 1.00 0.00 ATOM 667 C GLU 80 22.768 13.467 28.485 1.00 0.00 ATOM 668 N VAL 81 21.867 14.432 28.400 1.00 0.00 ATOM 669 CA VAL 81 20.413 14.173 28.418 1.00 0.00 ATOM 670 CB VAL 81 19.706 15.049 29.468 1.00 0.00 ATOM 671 CG1 VAL 81 18.204 14.808 29.530 1.00 0.00 ATOM 672 CG2 VAL 81 20.248 14.833 30.884 1.00 0.00 ATOM 673 O VAL 81 19.958 15.461 26.442 1.00 0.00 ATOM 674 C VAL 81 19.839 14.379 27.022 1.00 0.00 ATOM 675 N LYS 82 19.041 13.406 26.608 1.00 0.00 ATOM 676 CA LYS 82 18.405 13.426 25.279 1.00 0.00 ATOM 677 CB LYS 82 17.890 12.033 24.911 1.00 0.00 ATOM 678 CG LYS 82 18.983 10.998 24.685 1.00 0.00 ATOM 679 CD LYS 82 18.394 9.639 24.339 1.00 0.00 ATOM 680 CE LYS 82 19.486 8.614 24.068 1.00 0.00 ATOM 681 NZ LYS 82 18.925 7.275 23.741 1.00 0.00 ATOM 682 O LYS 82 16.657 14.751 26.256 1.00 0.00 ATOM 683 C LYS 82 17.259 14.446 25.235 1.00 0.00 ATOM 684 N LYS 83 16.899 14.881 24.039 1.00 0.00 ATOM 685 CA LYS 83 15.720 15.779 23.868 1.00 0.00 ATOM 686 CB LYS 83 15.498 16.097 22.389 1.00 0.00 ATOM 687 CG LYS 83 14.337 17.044 22.115 1.00 0.00 ATOM 688 CD LYS 83 14.227 17.370 20.634 1.00 0.00 ATOM 689 CE LYS 83 13.044 18.287 20.355 1.00 0.00 ATOM 690 NZ LYS 83 12.920 18.611 18.908 1.00 0.00 ATOM 691 O LYS 83 13.710 15.803 25.186 1.00 0.00 ATOM 692 C LYS 83 14.453 15.152 24.469 1.00 0.00 ATOM 693 N ASP 84 14.296 13.854 24.202 1.00 0.00 ATOM 694 CA ASP 84 13.154 13.071 24.688 1.00 0.00 ATOM 695 CB ASP 84 13.126 11.694 24.021 1.00 0.00 ATOM 696 CG ASP 84 12.700 11.711 22.560 1.00 0.00 ATOM 697 OD1 ASP 84 12.203 12.720 22.118 1.00 0.00 ATOM 698 OD2 ASP 84 13.014 10.779 21.858 1.00 0.00 ATOM 699 O ASP 84 12.221 13.225 26.865 1.00 0.00 ATOM 700 C ASP 84 13.203 12.922 26.201 1.00 0.00 ATOM 701 N GLU 85 14.431 12.795 26.699 1.00 0.00 ATOM 702 CA GLU 85 14.691 12.800 28.150 1.00 0.00 ATOM 703 CB GLU 85 16.124 12.349 28.438 1.00 0.00 ATOM 704 CG GLU 85 16.386 10.874 28.168 1.00 0.00 ATOM 705 CD GLU 85 17.831 10.526 28.392 1.00 0.00 ATOM 706 OE1 GLU 85 18.597 11.412 28.688 1.00 0.00 ATOM 707 OE2 GLU 85 18.150 9.361 28.377 1.00 0.00 ATOM 708 O GLU 85 14.251 14.251 30.022 1.00 0.00 ATOM 709 C GLU 85 14.462 14.155 28.814 1.00 0.00 ATOM 710 N LEU 86 14.613 15.212 28.028 1.00 0.00 ATOM 711 CA LEU 86 14.411 16.594 28.483 1.00 0.00 ATOM 712 CB LEU 86 15.012 17.583 27.479 1.00 0.00 ATOM 713 CG LEU 86 14.734 19.047 27.825 1.00 0.00 ATOM 714 CD1 LEU 86 15.431 19.453 29.112 1.00 0.00 ATOM 715 CD2 LEU 86 15.194 19.945 26.679 1.00 0.00 ATOM 716 O LEU 86 12.125 16.867 27.760 1.00 0.00 ATOM 717 C LEU 86 12.910 16.825 28.721 1.00 0.00 ATOM 718 N PRO 87 12.516 17.010 29.974 1.00 0.00 ATOM 719 CA PRO 87 11.120 17.258 30.323 1.00 0.00 ATOM 720 CB PRO 87 11.058 16.979 31.820 1.00 0.00 ATOM 721 CG PRO 87 12.428 17.384 32.338 1.00 0.00 ATOM 722 CD PRO 87 13.359 16.978 31.198 1.00 0.00 ATOM 723 O PRO 87 11.485 19.621 30.005 1.00 0.00 ATOM 724 C PRO 87 10.699 18.688 29.961 1.00 0.00 ATOM 725 N ALA 88 9.402 18.852 29.752 1.00 0.00 ATOM 726 CA ALA 88 8.793 20.154 29.476 1.00 0.00 ATOM 727 CB ALA 88 7.324 19.955 29.129 1.00 0.00 ATOM 728 O ALA 88 9.137 22.341 30.386 1.00 0.00 ATOM 729 C ALA 88 8.952 21.158 30.631 1.00 0.00 ATOM 730 N LYS 89 9.085 20.647 31.851 1.00 0.00 ATOM 731 CA LYS 89 9.353 21.498 33.033 1.00 0.00 ATOM 732 CB LYS 89 9.358 20.654 34.309 1.00 0.00 ATOM 733 CG LYS 89 7.989 20.130 34.722 1.00 0.00 ATOM 734 CD LYS 89 8.074 19.302 35.995 1.00 0.00 ATOM 735 CE LYS 89 6.709 18.764 36.399 1.00 0.00 ATOM 736 NZ LYS 89 6.782 17.925 37.626 1.00 0.00 ATOM 737 O LYS 89 10.793 23.438 33.246 1.00 0.00 ATOM 738 C LYS 89 10.683 22.257 32.914 1.00 0.00 ATOM 739 N VAL 90 11.658 21.592 32.303 1.00 0.00 ATOM 740 CA VAL 90 12.962 22.205 32.012 1.00 0.00 ATOM 741 CB VAL 90 14.080 21.147 31.940 1.00 0.00 ATOM 742 CG1 VAL 90 15.427 21.812 31.702 1.00 0.00 ATOM 743 CG2 VAL 90 14.114 20.320 33.216 1.00 0.00 ATOM 744 O VAL 90 13.459 24.060 30.583 1.00 0.00 ATOM 745 C VAL 90 12.886 22.978 30.686 1.00 0.00 ATOM 746 N LYS 91 12.175 22.419 29.712 1.00 0.00 ATOM 747 CA LYS 91 12.008 23.048 28.388 1.00 0.00 ATOM 748 CB LYS 91 11.112 22.188 27.496 1.00 0.00 ATOM 749 CG LYS 91 10.906 22.740 26.091 1.00 0.00 ATOM 750 CD LYS 91 10.072 21.793 25.241 1.00 0.00 ATOM 751 CE LYS 91 9.870 22.343 23.836 1.00 0.00 ATOM 752 NZ LYS 91 9.049 21.430 22.995 1.00 0.00 ATOM 753 O LYS 91 11.880 25.355 27.808 1.00 0.00 ATOM 754 C LYS 91 11.427 24.457 28.500 1.00 0.00 ATOM 755 N GLU 92 10.566 24.644 29.498 1.00 0.00 ATOM 756 CA GLU 92 10.013 25.964 29.800 1.00 0.00 ATOM 757 CB GLU 92 8.897 25.853 30.840 1.00 0.00 ATOM 758 CG GLU 92 7.624 25.193 30.329 1.00 0.00 ATOM 759 CD GLU 92 6.624 25.005 31.434 1.00 0.00 ATOM 760 OE1 GLU 92 6.944 25.310 32.558 1.00 0.00 ATOM 761 OE2 GLU 92 5.502 24.663 31.142 1.00 0.00 ATOM 762 O GLU 92 11.245 28.027 29.750 1.00 0.00 ATOM 763 C GLU 92 11.086 26.943 30.300 1.00 0.00 ATOM 764 N LYS 93 11.952 26.431 31.165 1.00 0.00 ATOM 765 CA LYS 93 13.118 27.202 31.656 1.00 0.00 ATOM 766 CB LYS 93 13.761 26.497 32.852 1.00 0.00 ATOM 767 CG LYS 93 12.813 26.245 34.017 1.00 0.00 ATOM 768 CD LYS 93 12.139 27.532 34.470 1.00 0.00 ATOM 769 CE LYS 93 11.213 27.286 35.651 1.00 0.00 ATOM 770 NZ LYS 93 9.994 26.530 35.255 1.00 0.00 ATOM 771 O LYS 93 14.879 28.428 30.524 1.00 0.00 ATOM 772 C LYS 93 14.169 27.418 30.558 1.00 0.00 ATOM 773 N LEU 94 14.223 26.475 29.641 1.00 0.00 ATOM 774 CA LEU 94 15.111 26.561 28.477 1.00 0.00 ATOM 775 CB LEU 94 15.490 25.155 27.995 1.00 0.00 ATOM 776 CG LEU 94 16.128 24.251 29.057 1.00 0.00 ATOM 777 CD1 LEU 94 16.548 22.928 28.432 1.00 0.00 ATOM 778 CD2 LEU 94 17.324 24.958 29.678 1.00 0.00 ATOM 779 O LEU 94 15.121 27.562 26.323 1.00 0.00 ATOM 780 C LEU 94 14.470 27.356 27.335 1.00 0.00 ATOM 781 N GLY 95 13.274 27.895 27.579 1.00 0.00 ATOM 782 CA GLY 95 12.527 28.697 26.591 1.00 0.00 ATOM 783 O GLY 95 11.553 30.911 26.527 1.00 0.00 ATOM 784 C GLY 95 12.370 30.147 27.045 1.00 0.00 ATOM 785 N VAL 96 13.171 30.570 27.999 1.00 0.00 ATOM 786 CA VAL 96 13.141 31.967 28.464 1.00 0.00 ATOM 787 CB VAL 96 14.067 32.180 29.676 1.00 0.00 ATOM 788 CG1 VAL 96 14.191 33.661 29.999 1.00 0.00 ATOM 789 CG2 VAL 96 13.547 31.415 30.884 1.00 0.00 ATOM 790 O VAL 96 14.669 32.827 26.811 1.00 0.00 ATOM 791 C VAL 96 13.555 32.909 27.324 1.00 0.00 ATOM 792 N LYS 97 12.609 33.772 26.973 1.00 0.00 ATOM 793 CA LYS 97 12.809 34.779 25.927 1.00 0.00 ATOM 794 CB LYS 97 11.495 35.037 25.186 1.00 0.00 ATOM 795 CG LYS 97 10.997 33.750 24.523 1.00 0.00 ATOM 796 CD LYS 97 9.802 34.048 23.634 1.00 0.00 ATOM 797 CE LYS 97 9.178 32.836 22.943 1.00 0.00 ATOM 798 NZ LYS 97 7.973 33.205 22.215 1.00 0.00 ATOM 799 O LYS 97 13.537 36.178 27.713 1.00 0.00 ATOM 800 C LYS 97 13.396 36.085 26.471 1.00 0.00 TER END