PFRMAT TS TARGET T0460 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 This Pyrococcus protein is an ORFan, with no homology found outside of METHOD Pyrococcus. The lack of homologs gives us little information for METHOD local structure prediction, for contact prediction, or for finding METHOD structurally similar proteins. METHOD METHOD The model quality assessments we did suggested that none of the METHOD servers got up to 30% GDT, and I tend to agree. I'm submitting 5 METHOD quite different and quite junky models---I have no real expectation METHOD that any of them are anything like the real protein. METHOD METHOD Model METHOD 1 T0460.MQAX7-opt3.gromacs0.repack-nonPC.pdb # < BAKER-ROBETTA_TS4 METHOD #best rosetta energy METHOD METHOD 2 T0460.MQAX2-opt3.pdb # < BAKER-ROBETTA_TS5 METHOD METHOD 3 T0460.try3-opt3.pdb # < MQAC1-opt3 < SAM-T08-server_TS1 METHOD METHOD 4 T0460.try5-opt3.pdb # < try4-opt3 < align(2j1dG) METHOD METHOD 5 T0460.try2-opt3.pdb # < align(2j1dG) METHOD REMARK 6 REMARK 6 T0460 model 3 Wed Jul 16 17:44:58 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 7.624 34.709 26.856 1.00 0.00 ATOM 2 CA MET 1 8.296 35.531 27.871 1.00 0.00 ATOM 3 CB MET 1 9.765 35.185 27.898 1.00 0.00 ATOM 4 CG MET 1 10.037 33.754 28.381 1.00 0.00 ATOM 5 SD MET 1 9.934 33.326 30.135 1.00 0.00 ATOM 6 CE MET 1 10.472 34.820 30.916 1.00 0.00 ATOM 7 O MET 1 7.795 37.239 26.347 1.00 0.00 ATOM 8 C MET 1 8.072 36.986 27.504 1.00 0.00 ATOM 9 N ASN 2 7.786 37.766 28.539 1.00 0.00 ATOM 10 CA ASN 2 7.502 39.190 28.371 1.00 0.00 ATOM 11 CB ASN 2 6.929 39.743 29.666 1.00 0.00 ATOM 12 CG ASN 2 6.512 41.172 29.534 1.00 0.00 ATOM 13 ND2 ASN 2 5.243 41.463 29.862 1.00 0.00 ATOM 14 OD1 ASN 2 7.320 42.012 29.157 1.00 0.00 ATOM 15 O ASN 2 9.759 39.844 28.841 1.00 0.00 ATOM 16 C ASN 2 8.819 39.906 28.050 1.00 0.00 ATOM 17 N SER 3 8.815 40.557 26.891 1.00 0.00 ATOM 18 CA SER 3 9.993 41.242 26.349 1.00 0.00 ATOM 19 CB SER 3 9.583 41.913 25.047 1.00 0.00 ATOM 20 OG SER 3 9.397 40.947 24.009 1.00 0.00 ATOM 21 O SER 3 11.740 42.371 27.544 1.00 0.00 ATOM 22 C SER 3 10.534 42.300 27.311 1.00 0.00 ATOM 23 N GLU 4 9.644 43.097 27.907 1.00 0.00 ATOM 24 CA GLU 4 10.059 44.186 28.794 1.00 0.00 ATOM 25 CB GLU 4 8.879 45.060 29.180 1.00 0.00 ATOM 26 CG GLU 4 8.351 45.850 27.993 1.00 0.00 ATOM 27 CD GLU 4 7.155 46.729 28.363 1.00 0.00 ATOM 28 OE1 GLU 4 6.483 46.412 29.363 1.00 0.00 ATOM 29 OE2 GLU 4 6.779 47.498 27.459 1.00 0.00 ATOM 30 O GLU 4 11.713 44.190 30.514 1.00 0.00 ATOM 31 C GLU 4 10.685 43.677 30.083 1.00 0.00 ATOM 32 N VAL 5 10.077 42.668 30.722 1.00 0.00 ATOM 33 CA VAL 5 10.631 42.117 31.954 1.00 0.00 ATOM 34 CB VAL 5 9.663 41.085 32.566 1.00 0.00 ATOM 35 CG1 VAL 5 10.238 40.396 33.805 1.00 0.00 ATOM 36 CG2 VAL 5 8.372 41.778 32.975 1.00 0.00 ATOM 37 O VAL 5 12.942 41.727 32.463 1.00 0.00 ATOM 38 C VAL 5 12.009 41.523 31.686 1.00 0.00 ATOM 39 N ILE 6 12.136 40.789 30.585 1.00 0.00 ATOM 40 CA ILE 6 13.419 40.168 30.223 1.00 0.00 ATOM 41 CB ILE 6 13.250 39.238 29.010 1.00 0.00 ATOM 42 CG1 ILE 6 12.265 38.102 29.316 1.00 0.00 ATOM 43 CG2 ILE 6 14.572 38.620 28.575 1.00 0.00 ATOM 44 CD1 ILE 6 12.634 37.327 30.583 1.00 0.00 ATOM 45 O ILE 6 15.615 41.131 30.474 1.00 0.00 ATOM 46 C ILE 6 14.484 41.258 30.001 1.00 0.00 ATOM 47 N LYS 7 14.117 42.317 29.287 1.00 0.00 ATOM 48 CA LYS 7 15.047 43.409 29.020 1.00 0.00 ATOM 49 CB LYS 7 14.300 44.495 28.264 1.00 0.00 ATOM 50 CG LYS 7 15.247 45.638 27.894 1.00 0.00 ATOM 51 CD LYS 7 14.452 46.658 27.090 1.00 0.00 ATOM 52 CE LYS 7 15.433 47.730 26.697 1.00 0.00 ATOM 53 NZ LYS 7 14.760 48.882 26.110 1.00 0.00 ATOM 54 O LYS 7 16.800 44.338 30.393 1.00 0.00 ATOM 55 C LYS 7 15.607 44.044 30.311 1.00 0.00 ATOM 56 N GLU 8 14.744 44.248 31.301 1.00 0.00 ATOM 57 CA GLU 8 15.170 44.839 32.565 1.00 0.00 ATOM 58 CB GLU 8 13.962 45.022 33.494 1.00 0.00 ATOM 59 CG GLU 8 13.022 46.162 33.076 1.00 0.00 ATOM 60 CD GLU 8 11.844 46.344 34.056 1.00 0.00 ATOM 61 OE1 GLU 8 11.585 45.451 34.893 1.00 0.00 ATOM 62 OE2 GLU 8 11.213 47.419 33.963 1.00 0.00 ATOM 63 O GLU 8 17.252 44.392 33.689 1.00 0.00 ATOM 64 C GLU 8 16.216 43.922 33.217 1.00 0.00 ATOM 65 N PHE 9 15.939 42.622 33.240 1.00 0.00 ATOM 66 CA PHE 9 16.864 41.663 33.832 1.00 0.00 ATOM 67 CB PHE 9 16.281 40.246 33.795 1.00 0.00 ATOM 68 CG PHE 9 15.099 40.079 34.749 1.00 0.00 ATOM 69 CD1 PHE 9 14.740 41.066 35.651 1.00 0.00 ATOM 70 CD2 PHE 9 14.325 38.919 34.658 1.00 0.00 ATOM 71 CE1 PHE 9 13.622 40.898 36.424 1.00 0.00 ATOM 72 CE2 PHE 9 13.208 38.751 35.462 1.00 0.00 ATOM 73 CZ PHE 9 12.860 39.756 36.354 1.00 0.00 ATOM 74 O PHE 9 19.245 41.898 33.832 1.00 0.00 ATOM 75 C PHE 9 18.229 41.671 33.168 1.00 0.00 ATOM 76 N LEU 10 18.194 41.609 31.851 1.00 0.00 ATOM 77 CA LEU 10 19.441 41.577 31.051 1.00 0.00 ATOM 78 CB LEU 10 19.158 41.153 29.644 1.00 0.00 ATOM 79 CG LEU 10 18.649 39.753 29.804 1.00 0.00 ATOM 80 CD1 LEU 10 17.592 39.687 28.778 1.00 0.00 ATOM 81 CD2 LEU 10 19.732 38.686 29.696 1.00 0.00 ATOM 82 O LEU 10 21.432 42.910 30.928 1.00 0.00 ATOM 83 C LEU 10 20.205 42.897 31.029 1.00 0.00 ATOM 84 N GLU 11 19.478 44.006 31.123 1.00 0.00 ATOM 85 CA GLU 11 20.102 45.308 31.114 1.00 0.00 ATOM 86 CB GLU 11 18.993 46.359 31.219 1.00 0.00 ATOM 87 CG GLU 11 19.536 47.792 31.294 1.00 0.00 ATOM 88 CD GLU 11 18.457 48.863 31.477 1.00 0.00 ATOM 89 OE1 GLU 11 17.247 48.548 31.366 1.00 0.00 ATOM 90 OE2 GLU 11 18.840 50.050 31.393 1.00 0.00 ATOM 91 O GLU 11 22.260 45.577 32.111 1.00 0.00 ATOM 92 C GLU 11 21.053 45.425 32.316 1.00 0.00 ATOM 93 N ASP 12 20.528 45.103 33.496 1.00 0.00 ATOM 94 CA ASP 12 21.300 45.310 34.743 1.00 0.00 ATOM 95 CB ASP 12 20.484 45.097 36.020 1.00 0.00 ATOM 96 CG ASP 12 19.293 46.043 36.240 1.00 0.00 ATOM 97 OD1 ASP 12 19.322 47.167 35.714 1.00 0.00 ATOM 98 OD2 ASP 12 18.451 45.653 37.073 1.00 0.00 ATOM 99 O ASP 12 23.544 44.734 35.366 1.00 0.00 ATOM 100 C ASP 12 22.495 44.367 34.835 1.00 0.00 ATOM 101 N ILE 13 22.335 43.154 34.317 1.00 0.00 ATOM 102 CA ILE 13 23.397 42.194 34.350 1.00 0.00 ATOM 103 CB ILE 13 22.350 40.755 34.537 1.00 0.00 ATOM 104 CG1 ILE 13 22.813 39.582 35.405 1.00 0.00 ATOM 105 CG2 ILE 13 22.243 40.392 33.088 1.00 0.00 ATOM 106 CD1 ILE 13 21.690 38.580 35.717 1.00 0.00 ATOM 107 O ILE 13 25.363 41.571 33.053 1.00 0.00 ATOM 108 C ILE 13 24.310 42.211 33.066 1.00 0.00 ATOM 109 N GLY 14 23.893 42.933 32.033 1.00 0.00 ATOM 110 CA GLY 14 24.672 43.013 30.802 1.00 0.00 ATOM 111 O GLY 14 25.289 41.705 28.915 1.00 0.00 ATOM 112 C GLY 14 24.616 41.757 29.954 1.00 0.00 ATOM 113 N GLU 15 23.855 40.762 30.416 1.00 0.00 ATOM 114 CA GLU 15 23.917 39.395 29.831 1.00 0.00 ATOM 115 CB GLU 15 23.711 38.124 30.639 1.00 0.00 ATOM 116 CG GLU 15 25.057 37.550 31.088 1.00 0.00 ATOM 117 CD GLU 15 25.726 38.443 32.138 1.00 0.00 ATOM 118 OE1 GLU 15 25.067 38.699 33.179 1.00 0.00 ATOM 119 OE2 GLU 15 26.955 38.630 32.062 1.00 0.00 ATOM 120 O GLU 15 22.190 40.245 28.381 1.00 0.00 ATOM 121 C GLU 15 23.062 39.396 28.585 1.00 0.00 ATOM 122 N ASP 16 23.317 38.341 27.830 1.00 0.00 ATOM 123 CA ASP 16 22.727 38.169 26.509 1.00 0.00 ATOM 124 CB ASP 16 23.517 37.173 25.671 1.00 0.00 ATOM 125 CG ASP 16 22.930 37.088 24.253 1.00 0.00 ATOM 126 OD1 ASP 16 23.126 38.049 23.491 1.00 0.00 ATOM 127 OD2 ASP 16 22.254 36.069 23.963 1.00 0.00 ATOM 128 O ASP 16 20.971 36.918 27.600 1.00 0.00 ATOM 129 C ASP 16 21.309 37.651 26.672 1.00 0.00 ATOM 130 N TYR 17 20.500 38.115 25.709 1.00 0.00 ATOM 131 CA TYR 17 19.145 37.621 25.607 1.00 0.00 ATOM 132 CB TYR 17 18.117 38.655 25.981 1.00 0.00 ATOM 133 CG TYR 17 18.205 40.055 25.387 1.00 0.00 ATOM 134 CD1 TYR 17 17.279 40.317 24.396 1.00 0.00 ATOM 135 CD2 TYR 17 19.175 41.002 25.715 1.00 0.00 ATOM 136 CE1 TYR 17 17.314 41.497 23.693 1.00 0.00 ATOM 137 CE2 TYR 17 19.197 42.198 25.007 1.00 0.00 ATOM 138 CZ TYR 17 18.282 42.433 23.981 1.00 0.00 ATOM 139 OH TYR 17 18.330 43.585 23.275 1.00 0.00 ATOM 140 O TYR 17 18.961 38.087 23.275 1.00 0.00 ATOM 141 C TYR 17 18.829 37.264 24.177 1.00 0.00 ATOM 142 N ILE 18 17.996 36.239 24.119 1.00 0.00 ATOM 143 CA ILE 18 17.468 35.842 22.823 1.00 0.00 ATOM 144 CB ILE 18 18.149 34.568 22.327 1.00 0.00 ATOM 145 CG1 ILE 18 19.690 34.662 22.310 1.00 0.00 ATOM 146 CG2 ILE 18 17.741 34.454 20.861 1.00 0.00 ATOM 147 CD1 ILE 18 20.389 33.351 21.926 1.00 0.00 ATOM 148 O ILE 18 15.384 34.929 23.637 1.00 0.00 ATOM 149 C ILE 18 15.941 35.730 22.887 1.00 0.00 ATOM 150 N GLU 19 15.327 36.466 21.973 1.00 0.00 ATOM 151 CA GLU 19 13.891 36.345 21.727 1.00 0.00 ATOM 152 CB GLU 19 13.228 37.695 21.574 1.00 0.00 ATOM 153 CG GLU 19 13.425 38.568 22.807 1.00 0.00 ATOM 154 CD GLU 19 12.721 39.901 22.624 1.00 0.00 ATOM 155 OE1 GLU 19 12.280 40.228 21.501 1.00 0.00 ATOM 156 OE2 GLU 19 12.548 40.563 23.662 1.00 0.00 ATOM 157 O GLU 19 14.227 36.058 19.356 1.00 0.00 ATOM 158 C GLU 19 13.705 35.627 20.391 1.00 0.00 ATOM 159 N LEU 20 13.064 34.477 20.496 1.00 0.00 ATOM 160 CA LEU 20 12.896 33.612 19.332 1.00 0.00 ATOM 161 CB LEU 20 13.902 32.482 19.484 1.00 0.00 ATOM 162 CG LEU 20 15.385 32.824 19.463 1.00 0.00 ATOM 163 CD1 LEU 20 16.212 31.598 19.893 1.00 0.00 ATOM 164 CD2 LEU 20 15.837 33.316 18.083 1.00 0.00 ATOM 165 O LEU 20 10.775 32.851 20.217 1.00 0.00 ATOM 166 C LEU 20 11.483 33.013 19.227 1.00 0.00 ATOM 167 N GLU 21 11.274 32.442 18.047 1.00 0.00 ATOM 168 CA GLU 21 10.137 31.560 17.756 1.00 0.00 ATOM 169 CB GLU 21 8.884 32.380 17.500 1.00 0.00 ATOM 170 CG GLU 21 7.637 31.553 17.163 1.00 0.00 ATOM 171 CD GLU 21 6.415 32.446 16.904 1.00 0.00 ATOM 172 OE1 GLU 21 6.593 33.664 17.102 1.00 0.00 ATOM 173 OE2 GLU 21 5.368 31.923 16.465 1.00 0.00 ATOM 174 O GLU 21 10.601 31.208 15.411 1.00 0.00 ATOM 175 C GLU 21 10.487 30.710 16.533 1.00 0.00 ATOM 176 N ASN 22 10.834 29.475 16.815 1.00 0.00 ATOM 177 CA ASN 22 11.175 28.588 15.708 1.00 0.00 ATOM 178 CB ASN 22 12.414 27.776 16.054 1.00 0.00 ATOM 179 CG ASN 22 12.859 26.821 14.944 1.00 0.00 ATOM 180 ND2 ASN 22 14.113 26.482 14.959 1.00 0.00 ATOM 181 OD1 ASN 22 12.109 26.319 14.133 1.00 0.00 ATOM 182 O ASN 22 9.346 27.136 16.301 1.00 0.00 ATOM 183 C ASN 22 9.982 27.697 15.405 1.00 0.00 ATOM 184 N GLU 23 9.628 27.756 14.132 1.00 0.00 ATOM 185 CA GLU 23 8.695 26.773 13.566 1.00 0.00 ATOM 186 CB GLU 23 8.283 27.123 12.136 1.00 0.00 ATOM 187 CG GLU 23 7.457 28.409 12.045 1.00 0.00 ATOM 188 CD GLU 23 6.968 28.682 10.616 1.00 0.00 ATOM 189 OE1 GLU 23 7.191 27.813 9.748 1.00 0.00 ATOM 190 OE2 GLU 23 6.243 29.688 10.454 1.00 0.00 ATOM 191 O GLU 23 10.076 25.039 12.634 1.00 0.00 ATOM 192 C GLU 23 9.413 25.410 13.586 1.00 0.00 ATOM 193 N ILE 24 9.288 24.688 14.682 1.00 0.00 ATOM 194 CA ILE 24 10.096 23.477 14.925 1.00 0.00 ATOM 195 CB ILE 24 10.493 23.362 16.414 1.00 0.00 ATOM 196 CG1 ILE 24 11.280 24.607 16.854 1.00 0.00 ATOM 197 CG2 ILE 24 11.368 22.123 16.626 1.00 0.00 ATOM 198 CD1 ILE 24 11.439 24.785 18.365 1.00 0.00 ATOM 199 O ILE 24 8.211 21.993 14.914 1.00 0.00 ATOM 200 C ILE 24 9.305 22.274 14.423 1.00 0.00 ATOM 201 N HIS 25 9.860 21.564 13.446 1.00 0.00 ATOM 202 CA HIS 25 9.189 20.376 12.881 1.00 0.00 ATOM 203 CB HIS 25 8.686 20.673 11.468 1.00 0.00 ATOM 204 CG HIS 25 7.666 21.798 11.435 1.00 0.00 ATOM 205 CD2 HIS 25 7.878 23.037 10.989 1.00 0.00 ATOM 206 ND1 HIS 25 6.392 21.657 11.769 1.00 0.00 ATOM 207 CE1 HIS 25 5.815 22.822 11.541 1.00 0.00 ATOM 208 NE2 HIS 25 6.723 23.668 11.051 1.00 0.00 ATOM 209 O HIS 25 10.672 18.836 11.777 1.00 0.00 ATOM 210 C HIS 25 10.110 19.151 12.828 1.00 0.00 ATOM 211 N LEU 26 10.259 18.467 13.957 1.00 0.00 ATOM 212 CA LEU 26 11.110 17.284 14.018 1.00 0.00 ATOM 213 CB LEU 26 11.778 17.088 15.370 1.00 0.00 ATOM 214 CG LEU 26 12.248 18.450 15.775 1.00 0.00 ATOM 215 CD1 LEU 26 12.121 18.462 17.304 1.00 0.00 ATOM 216 CD2 LEU 26 13.348 18.929 14.795 1.00 0.00 ATOM 217 O LEU 26 9.344 15.744 14.517 1.00 0.00 ATOM 218 C LEU 26 10.406 15.936 13.932 1.00 0.00 ATOM 219 N LYS 27 10.983 15.072 13.223 1.00 0.00 ATOM 220 CA LYS 27 10.433 13.727 13.139 1.00 0.00 ATOM 221 CB LYS 27 9.862 13.503 11.691 1.00 0.00 ATOM 222 CG LYS 27 10.719 13.991 10.499 1.00 0.00 ATOM 223 CD LYS 27 10.075 14.133 9.108 1.00 0.00 ATOM 224 CE LYS 27 9.466 15.471 8.675 1.00 0.00 ATOM 225 NZ LYS 27 8.017 15.365 8.511 1.00 0.00 ATOM 226 O LYS 27 11.527 11.602 13.206 1.00 0.00 ATOM 227 C LYS 27 11.400 12.670 13.818 1.00 0.00 ATOM 228 N PRO 28 12.313 13.110 14.783 1.00 0.00 ATOM 229 CA PRO 28 13.189 12.311 15.738 1.00 0.00 ATOM 230 CB PRO 28 14.282 11.910 14.764 1.00 0.00 ATOM 231 CG PRO 28 14.416 13.118 13.848 1.00 0.00 ATOM 232 CD PRO 28 13.292 14.057 14.269 1.00 0.00 ATOM 233 O PRO 28 13.308 13.695 17.733 1.00 0.00 ATOM 234 C PRO 28 13.923 13.052 16.880 1.00 0.00 ATOM 235 N GLU 29 15.389 12.919 17.016 1.00 0.00 ATOM 236 CA GLU 29 16.226 13.503 18.041 1.00 0.00 ATOM 237 CB GLU 29 17.464 12.667 18.358 1.00 0.00 ATOM 238 CG GLU 29 18.393 13.277 19.435 1.00 0.00 ATOM 239 CD GLU 29 19.631 12.419 19.725 1.00 0.00 ATOM 240 OE1 GLU 29 19.762 11.363 19.060 1.00 0.00 ATOM 241 OE2 GLU 29 20.537 12.909 20.415 1.00 0.00 ATOM 242 O GLU 29 17.396 14.885 16.450 1.00 0.00 ATOM 243 C GLU 29 16.824 14.837 17.537 1.00 0.00 ATOM 244 N VAL 30 16.771 15.880 18.384 1.00 0.00 ATOM 245 CA VAL 30 17.193 17.213 17.924 1.00 0.00 ATOM 246 CB VAL 30 16.514 17.761 16.649 1.00 0.00 ATOM 247 CG1 VAL 30 15.113 17.917 17.125 1.00 0.00 ATOM 248 CG2 VAL 30 16.882 19.106 16.009 1.00 0.00 ATOM 249 O VAL 30 15.971 17.943 19.888 1.00 0.00 ATOM 250 C VAL 30 16.940 18.127 19.136 1.00 0.00 ATOM 251 N PHE 31 17.499 19.311 18.974 1.00 0.00 ATOM 252 CA PHE 31 17.369 20.344 19.995 1.00 0.00 ATOM 253 CB PHE 31 18.638 20.245 20.814 1.00 0.00 ATOM 254 CG PHE 31 18.984 18.883 21.348 1.00 0.00 ATOM 255 CD1 PHE 31 19.589 17.964 20.511 1.00 0.00 ATOM 256 CD2 PHE 31 18.875 18.673 22.696 1.00 0.00 ATOM 257 CE1 PHE 31 20.025 16.748 20.986 1.00 0.00 ATOM 258 CE2 PHE 31 19.415 17.512 23.162 1.00 0.00 ATOM 259 CZ PHE 31 19.920 16.524 22.338 1.00 0.00 ATOM 260 O PHE 31 17.839 22.009 18.302 1.00 0.00 ATOM 261 C PHE 31 17.300 21.740 19.374 1.00 0.00 ATOM 262 N TYR 32 16.465 22.523 20.031 1.00 0.00 ATOM 263 CA TYR 32 16.390 23.976 19.809 1.00 0.00 ATOM 264 CB TYR 32 14.944 24.379 19.527 1.00 0.00 ATOM 265 CG TYR 32 14.784 25.877 19.275 1.00 0.00 ATOM 266 CD1 TYR 32 15.146 26.386 18.038 1.00 0.00 ATOM 267 CD2 TYR 32 14.279 26.716 20.265 1.00 0.00 ATOM 268 CE1 TYR 32 15.017 27.741 17.794 1.00 0.00 ATOM 269 CE2 TYR 32 14.124 28.061 20.016 1.00 0.00 ATOM 270 CZ TYR 32 14.494 28.556 18.772 1.00 0.00 ATOM 271 OH TYR 32 14.326 29.838 18.422 1.00 0.00 ATOM 272 O TYR 32 16.263 24.556 22.152 1.00 0.00 ATOM 273 C TYR 32 16.895 24.635 21.098 1.00 0.00 ATOM 274 N GLU 33 18.031 25.295 20.957 1.00 0.00 ATOM 275 CA GLU 33 18.705 25.813 22.150 1.00 0.00 ATOM 276 CB GLU 33 19.974 25.076 22.597 1.00 0.00 ATOM 277 CG GLU 33 20.798 24.436 21.467 1.00 0.00 ATOM 278 CD GLU 33 20.448 23.003 21.153 1.00 0.00 ATOM 279 OE1 GLU 33 21.291 22.304 20.539 1.00 0.00 ATOM 280 OE2 GLU 33 19.346 22.679 21.609 1.00 0.00 ATOM 281 O GLU 33 19.442 27.887 21.086 1.00 0.00 ATOM 282 C GLU 33 18.948 27.301 22.041 1.00 0.00 ATOM 283 N VAL 34 18.728 27.882 23.190 1.00 0.00 ATOM 284 CA VAL 34 19.293 29.206 23.386 1.00 0.00 ATOM 285 CB VAL 34 18.353 30.324 24.090 1.00 0.00 ATOM 286 CG1 VAL 34 19.081 31.678 24.153 1.00 0.00 ATOM 287 CG2 VAL 34 16.967 30.207 23.459 1.00 0.00 ATOM 288 O VAL 34 20.780 28.782 25.199 1.00 0.00 ATOM 289 C VAL 34 20.691 28.772 23.979 1.00 0.00 ATOM 290 N TRP 35 21.628 28.206 23.114 1.00 0.00 ATOM 291 CA TRP 35 22.878 27.385 23.380 1.00 0.00 ATOM 292 CB TRP 35 23.192 26.276 22.333 1.00 0.00 ATOM 293 CG TRP 35 23.724 26.613 20.916 1.00 0.00 ATOM 294 CD1 TRP 35 24.990 26.842 20.600 1.00 0.00 ATOM 295 CD2 TRP 35 22.993 26.916 19.775 1.00 0.00 ATOM 296 CE2 TRP 35 23.871 27.361 18.812 1.00 0.00 ATOM 297 CE3 TRP 35 21.651 26.887 19.466 1.00 0.00 ATOM 298 NE1 TRP 35 25.073 27.326 19.363 1.00 0.00 ATOM 299 CZ2 TRP 35 23.419 27.762 17.556 1.00 0.00 ATOM 300 CZ3 TRP 35 21.171 27.299 18.243 1.00 0.00 ATOM 301 CH2 TRP 35 22.053 27.722 17.274 1.00 0.00 ATOM 302 O TRP 35 24.522 28.961 22.636 1.00 0.00 ATOM 303 C TRP 35 24.248 28.067 23.438 1.00 0.00 ATOM 304 N LYS 36 25.204 27.455 24.171 1.00 0.00 ATOM 305 CA LYS 36 26.584 27.993 24.230 1.00 0.00 ATOM 306 CB LYS 36 26.765 28.957 25.411 1.00 0.00 ATOM 307 CG LYS 36 25.700 30.035 25.516 1.00 0.00 ATOM 308 CD LYS 36 25.929 31.080 24.449 1.00 0.00 ATOM 309 CE LYS 36 24.824 32.101 24.572 1.00 0.00 ATOM 310 NZ LYS 36 24.999 32.993 23.449 1.00 0.00 ATOM 311 O LYS 36 27.515 25.895 25.008 1.00 0.00 ATOM 312 C LYS 36 27.677 26.920 24.357 1.00 0.00 ATOM 313 N TYR 37 28.875 27.272 23.903 1.00 0.00 ATOM 314 CA TYR 37 30.067 26.416 24.080 1.00 0.00 ATOM 315 CB TYR 37 30.366 25.643 22.785 1.00 0.00 ATOM 316 CG TYR 37 29.174 24.831 22.238 1.00 0.00 ATOM 317 CD1 TYR 37 28.973 23.525 22.641 1.00 0.00 ATOM 318 CD2 TYR 37 28.346 25.342 21.253 1.00 0.00 ATOM 319 CE1 TYR 37 27.979 22.730 22.090 1.00 0.00 ATOM 320 CE2 TYR 37 27.352 24.555 20.680 1.00 0.00 ATOM 321 CZ TYR 37 27.167 23.244 21.098 1.00 0.00 ATOM 322 OH TYR 37 26.114 22.482 20.736 1.00 0.00 ATOM 323 O TYR 37 31.572 28.241 23.885 1.00 0.00 ATOM 324 C TYR 37 31.219 27.271 24.548 1.00 0.00 ATOM 325 N VAL 38 31.846 27.026 25.781 1.00 0.00 ATOM 326 CA VAL 38 32.790 27.897 26.456 1.00 0.00 ATOM 327 CB VAL 38 32.095 28.336 27.763 1.00 0.00 ATOM 328 CG1 VAL 38 33.024 29.126 28.717 1.00 0.00 ATOM 329 CG2 VAL 38 30.767 29.059 27.514 1.00 0.00 ATOM 330 O VAL 38 34.006 25.833 26.877 1.00 0.00 ATOM 331 C VAL 38 34.036 27.074 26.858 1.00 0.00 ATOM 332 N GLY 39 35.236 27.832 27.282 1.00 0.00 ATOM 333 CA GLY 39 36.463 27.139 27.652 1.00 0.00 ATOM 334 O GLY 39 37.019 28.631 29.490 1.00 0.00 ATOM 335 C GLY 39 37.282 27.588 28.879 1.00 0.00 ATOM 336 N GLU 40 38.141 26.667 29.322 1.00 0.00 ATOM 337 CA GLU 40 38.944 26.774 30.558 1.00 0.00 ATOM 338 CB GLU 40 40.097 27.787 30.426 1.00 0.00 ATOM 339 CG GLU 40 41.312 27.267 29.673 1.00 0.00 ATOM 340 CD GLU 40 41.044 27.056 28.184 1.00 0.00 ATOM 341 OE1 GLU 40 40.853 28.075 27.494 1.00 0.00 ATOM 342 OE2 GLU 40 41.004 25.881 27.763 1.00 0.00 ATOM 343 O GLU 40 38.236 28.082 32.463 1.00 0.00 ATOM 344 C GLU 40 38.014 27.125 31.734 1.00 0.00 ATOM 345 N PRO 41 37.111 26.215 32.091 1.00 0.00 ATOM 346 CA PRO 41 37.025 24.866 31.540 1.00 0.00 ATOM 347 CB PRO 41 36.749 24.045 32.779 1.00 0.00 ATOM 348 CG PRO 41 35.833 24.922 33.636 1.00 0.00 ATOM 349 CD PRO 41 36.399 26.312 33.388 1.00 0.00 ATOM 350 O PRO 41 34.925 25.314 30.421 1.00 0.00 ATOM 351 C PRO 41 35.999 24.725 30.396 1.00 0.00 ATOM 352 N GLU 42 36.389 23.908 29.423 1.00 0.00 ATOM 353 CA GLU 42 35.541 23.499 28.277 1.00 0.00 ATOM 354 CB GLU 42 36.335 22.501 27.438 1.00 0.00 ATOM 355 CG GLU 42 35.554 22.091 26.182 1.00 0.00 ATOM 356 CD GLU 42 36.310 21.187 25.193 1.00 0.00 ATOM 357 OE1 GLU 42 37.502 20.911 25.440 1.00 0.00 ATOM 358 OE2 GLU 42 35.718 20.880 24.136 1.00 0.00 ATOM 359 O GLU 42 34.088 21.787 29.245 1.00 0.00 ATOM 360 C GLU 42 34.195 22.898 28.713 1.00 0.00 ATOM 361 N LEU 43 33.159 23.684 28.476 1.00 0.00 ATOM 362 CA LEU 43 31.783 23.329 28.855 1.00 0.00 ATOM 363 CB LEU 43 31.333 24.109 30.099 1.00 0.00 ATOM 364 CG LEU 43 32.280 24.080 31.311 1.00 0.00 ATOM 365 CD1 LEU 43 31.704 24.927 32.439 1.00 0.00 ATOM 366 CD2 LEU 43 32.591 22.686 31.830 1.00 0.00 ATOM 367 O LEU 43 30.869 24.738 27.122 1.00 0.00 ATOM 368 C LEU 43 30.828 23.647 27.711 1.00 0.00 ATOM 369 N LYS 44 29.984 22.671 27.415 1.00 0.00 ATOM 370 CA LYS 44 28.865 22.850 26.470 1.00 0.00 ATOM 371 CB LYS 44 28.671 21.588 25.615 1.00 0.00 ATOM 372 CG LYS 44 29.933 21.157 24.860 1.00 0.00 ATOM 373 CD LYS 44 29.633 20.040 23.850 1.00 0.00 ATOM 374 CE LYS 44 30.847 19.775 22.963 1.00 0.00 ATOM 375 NZ LYS 44 30.658 18.545 22.166 1.00 0.00 ATOM 376 O LYS 44 27.407 22.286 28.291 1.00 0.00 ATOM 377 C LYS 44 27.622 23.031 27.334 1.00 0.00 ATOM 378 N THR 45 26.803 24.022 26.995 1.00 0.00 ATOM 379 CA THR 45 25.560 24.296 27.758 1.00 0.00 ATOM 380 CB THR 45 25.678 25.480 28.717 1.00 0.00 ATOM 381 CG2 THR 45 25.828 26.854 28.070 1.00 0.00 ATOM 382 OG1 THR 45 24.546 25.513 29.581 1.00 0.00 ATOM 383 O THR 45 24.479 25.093 25.806 1.00 0.00 ATOM 384 C THR 45 24.381 24.492 26.877 1.00 0.00 ATOM 385 N TYR 46 23.234 23.986 27.317 1.00 0.00 ATOM 386 CA TYR 46 22.004 24.116 26.544 1.00 0.00 ATOM 387 CB TYR 46 21.651 22.649 26.304 1.00 0.00 ATOM 388 CG TYR 46 22.677 22.028 25.369 1.00 0.00 ATOM 389 CD1 TYR 46 23.786 21.419 25.915 1.00 0.00 ATOM 390 CD2 TYR 46 22.586 22.243 23.997 1.00 0.00 ATOM 391 CE1 TYR 46 24.813 20.999 25.097 1.00 0.00 ATOM 392 CE2 TYR 46 23.614 21.820 23.169 1.00 0.00 ATOM 393 CZ TYR 46 24.733 21.186 23.723 1.00 0.00 ATOM 394 OH TYR 46 25.740 20.731 22.925 1.00 0.00 ATOM 395 O TYR 46 20.617 24.232 28.552 1.00 0.00 ATOM 396 C TYR 46 20.877 24.664 27.416 1.00 0.00 ATOM 397 N VAL 47 20.048 25.516 26.754 1.00 0.00 ATOM 398 CA VAL 47 18.824 26.001 27.342 1.00 0.00 ATOM 399 CB VAL 47 18.698 27.530 27.576 1.00 0.00 ATOM 400 CG1 VAL 47 17.374 27.856 28.269 1.00 0.00 ATOM 401 CG2 VAL 47 19.833 28.231 28.342 1.00 0.00 ATOM 402 O VAL 47 17.662 26.252 25.283 1.00 0.00 ATOM 403 C VAL 47 17.757 25.603 26.327 1.00 0.00 ATOM 404 N ILE 48 17.066 24.499 26.592 1.00 0.00 ATOM 405 CA ILE 48 16.228 23.927 25.533 1.00 0.00 ATOM 406 CB ILE 48 16.278 22.389 25.475 1.00 0.00 ATOM 407 CG1 ILE 48 17.671 21.802 25.724 1.00 0.00 ATOM 408 CG2 ILE 48 15.786 21.975 24.073 1.00 0.00 ATOM 409 CD1 ILE 48 18.720 22.212 24.690 1.00 0.00 ATOM 410 O ILE 48 14.167 24.337 26.694 1.00 0.00 ATOM 411 C ILE 48 14.788 24.421 25.643 1.00 0.00 ATOM 412 N GLU 49 14.308 24.966 24.530 1.00 0.00 ATOM 413 CA GLU 49 12.902 25.416 24.436 1.00 0.00 ATOM 414 CB GLU 49 12.725 26.608 23.509 1.00 0.00 ATOM 415 CG GLU 49 13.482 27.858 23.936 1.00 0.00 ATOM 416 CD GLU 49 12.925 29.125 23.273 1.00 0.00 ATOM 417 OE1 GLU 49 12.013 29.035 22.429 1.00 0.00 ATOM 418 OE2 GLU 49 13.485 30.184 23.588 1.00 0.00 ATOM 419 O GLU 49 10.967 23.966 24.330 1.00 0.00 ATOM 420 C GLU 49 12.059 24.279 23.824 1.00 0.00 ATOM 421 N ASP 50 12.512 23.725 22.737 1.00 0.00 ATOM 422 CA ASP 50 11.834 22.585 22.089 1.00 0.00 ATOM 423 CB ASP 50 12.577 22.201 20.814 1.00 0.00 ATOM 424 CG ASP 50 11.742 21.279 19.915 1.00 0.00 ATOM 425 OD1 ASP 50 12.373 20.395 19.306 1.00 0.00 ATOM 426 OD2 ASP 50 10.536 21.551 19.735 1.00 0.00 ATOM 427 O ASP 50 11.057 20.373 22.670 1.00 0.00 ATOM 428 C ASP 50 11.738 21.347 22.995 1.00 0.00 ATOM 429 N GLU 51 12.567 21.329 24.033 1.00 0.00 ATOM 430 CA GLU 51 12.644 20.180 24.944 1.00 0.00 ATOM 431 CB GLU 51 13.897 20.104 25.824 1.00 0.00 ATOM 432 CG GLU 51 14.148 18.810 26.600 1.00 0.00 ATOM 433 CD GLU 51 15.553 18.766 27.204 1.00 0.00 ATOM 434 OE1 GLU 51 16.529 18.814 26.423 1.00 0.00 ATOM 435 OE2 GLU 51 15.642 18.780 28.447 1.00 0.00 ATOM 436 O GLU 51 11.164 21.082 26.616 1.00 0.00 ATOM 437 C GLU 51 11.476 20.134 25.900 1.00 0.00 ATOM 438 N ILE 52 11.015 18.909 25.993 1.00 0.00 ATOM 439 CA ILE 52 10.036 18.534 26.999 1.00 0.00 ATOM 440 CB ILE 52 8.627 18.512 26.364 1.00 0.00 ATOM 441 CG1 ILE 52 8.569 17.528 25.192 1.00 0.00 ATOM 442 CG2 ILE 52 8.202 19.929 25.948 1.00 0.00 ATOM 443 CD1 ILE 52 7.123 17.218 24.796 1.00 0.00 ATOM 444 O ILE 52 11.444 16.614 27.073 1.00 0.00 ATOM 445 C ILE 52 10.489 17.204 27.593 1.00 0.00 ATOM 446 N VAL 53 9.637 16.630 28.429 1.00 0.00 ATOM 447 CA VAL 53 9.841 15.259 28.978 1.00 0.00 ATOM 448 CB VAL 53 8.737 14.885 29.993 1.00 0.00 ATOM 449 CG1 VAL 53 8.849 13.483 30.599 1.00 0.00 ATOM 450 CG2 VAL 53 8.817 15.853 31.157 1.00 0.00 ATOM 451 O VAL 53 10.636 13.262 27.924 1.00 0.00 ATOM 452 C VAL 53 10.150 14.384 27.774 1.00 0.00 ATOM 453 N GLU 54 9.906 14.932 26.387 1.00 0.00 ATOM 454 CA GLU 54 10.154 14.150 25.186 1.00 0.00 ATOM 455 CB GLU 54 9.111 12.860 25.317 1.00 0.00 ATOM 456 CG GLU 54 9.392 11.546 24.584 1.00 0.00 ATOM 457 CD GLU 54 10.319 10.606 25.344 1.00 0.00 ATOM 458 OE1 GLU 54 10.732 10.940 26.473 1.00 0.00 ATOM 459 OE2 GLU 54 10.632 9.521 24.807 1.00 0.00 ATOM 460 O GLU 54 9.713 15.106 23.024 1.00 0.00 ATOM 461 C GLU 54 10.513 14.968 23.950 1.00 0.00 ATOM 462 N PRO 55 11.909 15.726 23.753 1.00 0.00 ATOM 463 CA PRO 55 12.360 16.526 22.612 1.00 0.00 ATOM 464 CB PRO 55 13.801 16.878 22.984 1.00 0.00 ATOM 465 CG PRO 55 13.777 16.898 24.481 1.00 0.00 ATOM 466 CD PRO 55 12.924 15.703 24.821 1.00 0.00 ATOM 467 O PRO 55 12.637 14.360 21.581 1.00 0.00 ATOM 468 C PRO 55 12.276 15.531 21.446 1.00 0.00 ATOM 469 N GLY 56 11.756 16.043 20.254 1.00 0.00 ATOM 470 CA GLY 56 11.651 15.200 19.067 1.00 0.00 ATOM 471 O GLY 56 9.770 14.044 20.047 1.00 0.00 ATOM 472 C GLY 56 10.914 13.953 19.581 1.00 0.00 ATOM 473 N GLU 57 11.587 12.839 19.511 1.00 0.00 ATOM 474 CA GLU 57 11.040 11.596 20.027 1.00 0.00 ATOM 475 CB GLU 57 11.214 10.438 19.066 1.00 0.00 ATOM 476 CG GLU 57 10.236 10.480 17.893 1.00 0.00 ATOM 477 CD GLU 57 10.401 9.273 16.968 1.00 0.00 ATOM 478 OE1 GLU 57 11.177 8.351 17.291 1.00 0.00 ATOM 479 OE2 GLU 57 9.692 9.282 15.944 1.00 0.00 ATOM 480 O GLU 57 11.304 10.278 22.009 1.00 0.00 ATOM 481 C GLU 57 11.771 11.167 21.296 1.00 0.00 ATOM 482 N TYR 58 12.994 11.763 21.521 1.00 0.00 ATOM 483 CA TYR 58 13.771 11.453 22.714 1.00 0.00 ATOM 484 CB TYR 58 15.028 10.731 22.249 1.00 0.00 ATOM 485 CG TYR 58 14.676 9.493 21.437 1.00 0.00 ATOM 486 CD1 TYR 58 14.559 9.566 20.053 1.00 0.00 ATOM 487 CD2 TYR 58 14.587 8.275 22.104 1.00 0.00 ATOM 488 CE1 TYR 58 14.346 8.423 19.323 1.00 0.00 ATOM 489 CE2 TYR 58 14.366 7.137 21.370 1.00 0.00 ATOM 490 CZ TYR 58 14.242 7.224 19.992 1.00 0.00 ATOM 491 OH TYR 58 13.993 6.120 19.290 1.00 0.00 ATOM 492 O TYR 58 14.660 13.641 22.958 1.00 0.00 ATOM 493 C TYR 58 14.161 12.676 23.532 1.00 0.00 ATOM 494 N ASP 59 14.026 12.514 24.858 1.00 0.00 ATOM 495 CA ASP 59 14.305 13.511 25.904 1.00 0.00 ATOM 496 CB ASP 59 13.491 13.114 27.116 1.00 0.00 ATOM 497 CG ASP 59 13.927 13.943 28.290 1.00 0.00 ATOM 498 OD1 ASP 59 13.632 13.553 29.440 1.00 0.00 ATOM 499 OD2 ASP 59 14.550 15.009 28.154 1.00 0.00 ATOM 500 O ASP 59 15.995 12.348 27.054 1.00 0.00 ATOM 501 C ASP 59 15.721 13.321 26.359 1.00 0.00 ATOM 502 N PRO 60 16.605 14.236 26.013 1.00 0.00 ATOM 503 CA PRO 60 17.995 14.157 26.394 1.00 0.00 ATOM 504 CB PRO 60 18.695 15.154 25.489 1.00 0.00 ATOM 505 CG PRO 60 17.805 14.966 24.291 1.00 0.00 ATOM 506 CD PRO 60 16.507 15.229 24.959 1.00 0.00 ATOM 507 O PRO 60 17.421 15.067 28.532 1.00 0.00 ATOM 508 C PRO 60 18.269 14.513 27.838 1.00 0.00 ATOM 509 N PRO 61 19.447 14.018 28.277 1.00 0.00 ATOM 510 CA PRO 61 20.367 13.291 27.401 1.00 0.00 ATOM 511 CB PRO 61 21.467 14.515 27.165 1.00 0.00 ATOM 512 CG PRO 61 21.783 14.640 28.676 1.00 0.00 ATOM 513 CD PRO 61 20.385 14.622 29.268 1.00 0.00 ATOM 514 O PRO 61 21.675 11.319 27.814 1.00 0.00 ATOM 515 C PRO 61 20.574 11.848 27.854 1.00 0.00 ATOM 516 N GLU 62 19.696 11.605 28.988 1.00 0.00 ATOM 517 CA GLU 62 19.648 10.355 29.732 1.00 0.00 ATOM 518 CB GLU 62 20.225 9.169 28.963 1.00 0.00 ATOM 519 CG GLU 62 19.418 8.873 27.702 1.00 0.00 ATOM 520 CD GLU 62 20.105 7.843 26.833 1.00 0.00 ATOM 521 OE1 GLU 62 20.494 6.745 27.291 1.00 0.00 ATOM 522 OE2 GLU 62 20.307 8.102 25.624 1.00 0.00 ATOM 523 O GLU 62 19.979 9.837 32.045 1.00 0.00 ATOM 524 C GLU 62 20.311 10.548 31.096 1.00 0.00 ATOM 525 N MET 63 21.222 11.534 31.295 1.00 0.00 ATOM 526 CA MET 63 21.897 11.766 32.573 1.00 0.00 ATOM 527 CB MET 63 22.365 13.228 32.574 1.00 0.00 ATOM 528 CG MET 63 23.568 13.654 31.744 1.00 0.00 ATOM 529 SD MET 63 25.090 12.673 31.989 1.00 0.00 ATOM 530 CE MET 63 25.803 13.396 33.444 1.00 0.00 ATOM 531 O MET 63 19.822 12.312 33.669 1.00 0.00 ATOM 532 C MET 63 20.926 11.793 33.762 1.00 0.00 ATOM 533 N LYS 64 21.470 11.455 34.918 1.00 0.00 ATOM 534 CA LYS 64 20.820 11.774 36.210 1.00 0.00 ATOM 535 CB LYS 64 21.484 11.007 37.355 1.00 0.00 ATOM 536 CG LYS 64 21.360 9.504 37.130 1.00 0.00 ATOM 537 CD LYS 64 21.981 8.810 38.326 1.00 0.00 ATOM 538 CE LYS 64 21.914 7.315 38.105 1.00 0.00 ATOM 539 NZ LYS 64 22.509 6.708 39.282 1.00 0.00 ATOM 540 O LYS 64 21.866 13.917 36.475 1.00 0.00 ATOM 541 C LYS 64 20.817 13.271 36.500 1.00 0.00 ATOM 542 N TYR 65 19.639 13.820 36.776 1.00 0.00 ATOM 543 CA TYR 65 19.520 15.246 37.071 1.00 0.00 ATOM 544 CB TYR 65 18.059 15.666 36.991 1.00 0.00 ATOM 545 CG TYR 65 17.114 14.837 37.828 1.00 0.00 ATOM 546 CD1 TYR 65 16.810 15.320 39.069 1.00 0.00 ATOM 547 CD2 TYR 65 16.571 13.653 37.352 1.00 0.00 ATOM 548 CE1 TYR 65 15.945 14.619 39.881 1.00 0.00 ATOM 549 CE2 TYR 65 15.685 12.961 38.168 1.00 0.00 ATOM 550 CZ TYR 65 15.375 13.448 39.427 1.00 0.00 ATOM 551 OH TYR 65 14.597 12.740 40.280 1.00 0.00 ATOM 552 O TYR 65 20.017 15.044 39.431 1.00 0.00 ATOM 553 C TYR 65 20.163 15.710 38.405 1.00 0.00 ATOM 554 N THR 66 20.863 16.840 38.374 1.00 0.00 ATOM 555 CA THR 66 21.505 17.365 39.574 1.00 0.00 ATOM 556 CB THR 66 22.905 17.963 39.047 1.00 0.00 ATOM 557 CG2 THR 66 23.635 18.736 40.182 1.00 0.00 ATOM 558 OG1 THR 66 23.747 16.904 38.554 1.00 0.00 ATOM 559 O THR 66 20.708 18.430 41.547 1.00 0.00 ATOM 560 C THR 66 20.569 18.290 40.343 1.00 0.00 ATOM 561 N ASN 67 19.455 18.761 39.825 1.00 0.00 ATOM 562 CA ASN 67 18.525 19.697 40.458 1.00 0.00 ATOM 563 CB ASN 67 19.260 20.918 41.011 1.00 0.00 ATOM 564 CG ASN 67 18.347 21.774 41.892 1.00 0.00 ATOM 565 ND2 ASN 67 18.652 23.024 41.920 1.00 0.00 ATOM 566 OD1 ASN 67 17.223 21.515 42.279 1.00 0.00 ATOM 567 O ASN 67 17.826 19.930 38.244 1.00 0.00 ATOM 568 C ASN 67 17.557 20.214 39.387 1.00 0.00 ATOM 569 N VAL 68 16.554 21.028 39.714 1.00 0.00 ATOM 570 CA VAL 68 15.615 21.658 38.760 1.00 0.00 ATOM 571 CB VAL 68 14.220 21.012 38.859 1.00 0.00 ATOM 572 CG1 VAL 68 14.238 19.624 38.267 1.00 0.00 ATOM 573 CG2 VAL 68 13.742 20.957 40.296 1.00 0.00 ATOM 574 O VAL 68 15.292 23.547 40.220 1.00 0.00 ATOM 575 C VAL 68 15.425 23.164 39.066 1.00 0.00 ATOM 576 N LYS 69 15.331 23.985 38.013 1.00 0.00 ATOM 577 CA LYS 69 14.907 25.386 38.218 1.00 0.00 ATOM 578 CB LYS 69 16.259 26.240 38.064 1.00 0.00 ATOM 579 CG LYS 69 16.128 27.739 38.316 1.00 0.00 ATOM 580 CD LYS 69 15.991 28.050 39.794 1.00 0.00 ATOM 581 CE LYS 69 16.223 29.532 40.039 1.00 0.00 ATOM 582 NZ LYS 69 16.188 29.838 41.484 1.00 0.00 ATOM 583 O LYS 69 12.886 26.588 37.710 1.00 0.00 ATOM 584 C LYS 69 13.406 25.505 37.973 1.00 0.00 ATOM 585 N LYS 70 12.723 24.371 38.081 1.00 0.00 ATOM 586 CA LYS 70 11.279 24.287 37.874 1.00 0.00 ATOM 587 CB LYS 70 10.681 24.638 39.228 1.00 0.00 ATOM 588 CG LYS 70 10.903 23.505 40.214 1.00 0.00 ATOM 589 CD LYS 70 10.315 23.927 41.561 1.00 0.00 ATOM 590 CE LYS 70 10.831 23.030 42.676 1.00 0.00 ATOM 591 NZ LYS 70 12.289 23.067 42.647 1.00 0.00 ATOM 592 O LYS 70 10.353 23.210 35.975 1.00 0.00 ATOM 593 C LYS 70 11.035 24.168 36.378 1.00 0.00 ATOM 594 N VAL 71 11.553 25.102 35.429 1.00 0.00 ATOM 595 CA VAL 71 11.413 24.921 33.984 1.00 0.00 ATOM 596 CB VAL 71 12.229 26.153 33.478 1.00 0.00 ATOM 597 CG1 VAL 71 12.430 27.335 34.430 1.00 0.00 ATOM 598 CG2 VAL 71 13.660 25.826 33.182 1.00 0.00 ATOM 599 O VAL 71 11.229 22.667 33.177 1.00 0.00 ATOM 600 C VAL 71 11.905 23.496 33.805 1.00 0.00 ATOM 601 N LYS 72 13.031 22.953 34.439 1.00 0.00 ATOM 602 CA LYS 72 13.655 21.651 34.137 1.00 0.00 ATOM 603 CB LYS 72 13.346 20.171 33.874 1.00 0.00 ATOM 604 CG LYS 72 11.967 19.721 34.316 1.00 0.00 ATOM 605 CD LYS 72 11.767 18.231 34.084 1.00 0.00 ATOM 606 CE LYS 72 10.325 17.956 34.483 1.00 0.00 ATOM 607 NZ LYS 72 10.026 16.540 34.339 1.00 0.00 ATOM 608 O LYS 72 15.580 22.302 32.937 1.00 0.00 ATOM 609 C LYS 72 15.137 21.755 33.987 1.00 0.00 ATOM 610 N ILE 73 15.992 21.253 34.930 1.00 0.00 ATOM 611 CA ILE 73 17.433 21.267 34.905 1.00 0.00 ATOM 612 CB ILE 73 18.184 22.526 35.436 1.00 0.00 ATOM 613 CG1 ILE 73 18.384 22.571 36.962 1.00 0.00 ATOM 614 CG2 ILE 73 17.553 23.802 34.848 1.00 0.00 ATOM 615 CD1 ILE 73 18.954 23.748 37.767 1.00 0.00 ATOM 616 O ILE 73 17.378 19.061 35.873 1.00 0.00 ATOM 617 C ILE 73 18.011 19.909 35.249 1.00 0.00 ATOM 618 N LYS 74 19.227 19.728 34.923 1.00 0.00 ATOM 619 CA LYS 74 19.944 18.493 35.262 1.00 0.00 ATOM 620 CB LYS 74 19.496 17.402 34.282 1.00 0.00 ATOM 621 CG LYS 74 18.005 17.168 33.957 1.00 0.00 ATOM 622 CD LYS 74 17.879 15.914 33.097 1.00 0.00 ATOM 623 CE LYS 74 16.460 15.733 32.555 1.00 0.00 ATOM 624 NZ LYS 74 16.393 14.594 31.623 1.00 0.00 ATOM 625 O LYS 74 21.627 19.799 34.185 1.00 0.00 ATOM 626 C LYS 74 21.380 18.807 34.862 1.00 0.00 ATOM 627 N LYS 75 22.666 17.943 35.185 1.00 0.00 ATOM 628 CA LYS 75 24.029 18.254 34.835 1.00 0.00 ATOM 629 CB LYS 75 24.987 17.827 35.991 1.00 0.00 ATOM 630 CG LYS 75 26.518 17.979 35.816 1.00 0.00 ATOM 631 CD LYS 75 27.433 17.658 37.030 1.00 0.00 ATOM 632 CE LYS 75 28.879 18.071 36.743 1.00 0.00 ATOM 633 NZ LYS 75 29.826 17.853 37.817 1.00 0.00 ATOM 634 O LYS 75 24.430 16.540 33.197 1.00 0.00 ATOM 635 C LYS 75 24.603 17.718 33.486 1.00 0.00 ATOM 636 N VAL 76 25.298 18.594 32.733 1.00 0.00 ATOM 637 CA VAL 76 25.913 18.484 31.379 1.00 0.00 ATOM 638 CB VAL 76 25.056 18.749 30.126 1.00 0.00 ATOM 639 CG1 VAL 76 25.821 18.588 28.800 1.00 0.00 ATOM 640 CG2 VAL 76 23.603 18.314 30.298 1.00 0.00 ATOM 641 O VAL 76 27.983 19.594 31.745 1.00 0.00 ATOM 642 C VAL 76 26.844 19.710 31.302 1.00 0.00 ATOM 643 N TYR 77 26.350 21.116 30.874 1.00 0.00 ATOM 644 CA TYR 77 25.143 21.481 31.653 1.00 0.00 ATOM 645 CB TYR 77 25.556 22.475 32.720 1.00 0.00 ATOM 646 CG TYR 77 26.906 22.103 33.317 1.00 0.00 ATOM 647 CD1 TYR 77 26.930 21.195 34.361 1.00 0.00 ATOM 648 CD2 TYR 77 28.115 22.609 32.844 1.00 0.00 ATOM 649 CE1 TYR 77 28.146 20.855 34.921 1.00 0.00 ATOM 650 CE2 TYR 77 29.323 22.219 33.406 1.00 0.00 ATOM 651 CZ TYR 77 29.353 21.330 34.451 1.00 0.00 ATOM 652 OH TYR 77 30.533 20.864 34.962 1.00 0.00 ATOM 653 O TYR 77 23.950 22.615 29.876 1.00 0.00 ATOM 654 C TYR 77 23.885 21.898 30.870 1.00 0.00 ATOM 655 N PHE 78 22.755 21.387 31.369 1.00 0.00 ATOM 656 CA PHE 78 21.451 21.546 30.725 1.00 0.00 ATOM 657 CB PHE 78 20.318 20.923 31.530 1.00 0.00 ATOM 658 CG PHE 78 20.032 19.606 30.905 1.00 0.00 ATOM 659 CD1 PHE 78 20.868 18.621 31.380 1.00 0.00 ATOM 660 CD2 PHE 78 18.985 19.427 30.016 1.00 0.00 ATOM 661 CE1 PHE 78 20.587 17.355 30.989 1.00 0.00 ATOM 662 CE2 PHE 78 18.720 18.165 29.578 1.00 0.00 ATOM 663 CZ PHE 78 19.502 17.213 30.129 1.00 0.00 ATOM 664 O PHE 78 19.735 22.220 32.274 1.00 0.00 ATOM 665 C PHE 78 20.638 22.587 31.509 1.00 0.00 ATOM 666 N GLU 79 21.035 23.726 31.327 1.00 0.00 ATOM 667 CA GLU 79 20.347 24.833 32.022 1.00 0.00 ATOM 668 CB GLU 79 21.054 25.850 32.892 1.00 0.00 ATOM 669 CG GLU 79 20.635 25.422 34.302 1.00 0.00 ATOM 670 CD GLU 79 21.132 24.045 34.821 1.00 0.00 ATOM 671 OE1 GLU 79 20.925 22.955 34.234 1.00 0.00 ATOM 672 OE2 GLU 79 21.580 24.077 35.973 1.00 0.00 ATOM 673 O GLU 79 19.327 25.810 30.092 1.00 0.00 ATOM 674 C GLU 79 19.205 25.025 31.028 1.00 0.00 ATOM 675 N THR 80 17.992 24.350 31.104 1.00 0.00 ATOM 676 CA THR 80 16.958 24.175 30.085 1.00 0.00 ATOM 677 CB THR 80 16.759 22.587 29.928 1.00 0.00 ATOM 678 CG2 THR 80 15.362 21.927 29.727 1.00 0.00 ATOM 679 OG1 THR 80 17.429 22.083 28.778 1.00 0.00 ATOM 680 O THR 80 15.364 25.025 31.661 1.00 0.00 ATOM 681 C THR 80 15.573 24.651 30.503 1.00 0.00 ATOM 682 N LEU 81 14.138 24.569 29.531 1.00 0.00 ATOM 683 CA LEU 81 12.828 25.133 29.773 1.00 0.00 ATOM 684 CB LEU 81 13.008 26.240 28.701 1.00 0.00 ATOM 685 CG LEU 81 12.057 27.445 28.635 1.00 0.00 ATOM 686 CD1 LEU 81 12.448 28.557 29.602 1.00 0.00 ATOM 687 CD2 LEU 81 12.007 28.037 27.236 1.00 0.00 ATOM 688 O LEU 81 11.992 23.085 28.830 1.00 0.00 ATOM 689 C LEU 81 11.738 24.100 29.491 1.00 0.00 ATOM 690 N ASP 82 10.109 24.167 29.868 1.00 0.00 ATOM 691 CA ASP 82 9.063 23.153 29.703 1.00 0.00 ATOM 692 CB ASP 82 7.903 23.145 30.786 1.00 0.00 ATOM 693 CG ASP 82 7.806 22.335 32.102 1.00 0.00 ATOM 694 OD1 ASP 82 8.597 21.383 32.258 1.00 0.00 ATOM 695 OD2 ASP 82 6.836 22.502 32.889 1.00 0.00 ATOM 696 O ASP 82 8.166 21.991 27.781 1.00 0.00 ATOM 697 C ASP 82 8.452 23.083 28.299 1.00 0.00 ATOM 698 N ASN 83 8.262 24.207 27.634 1.00 0.00 ATOM 699 CA ASN 83 7.741 24.314 26.288 1.00 0.00 ATOM 700 CB ASN 83 6.369 25.012 26.386 1.00 0.00 ATOM 701 CG ASN 83 6.438 26.302 27.222 1.00 0.00 ATOM 702 ND2 ASN 83 5.628 26.326 28.254 1.00 0.00 ATOM 703 OD1 ASN 83 7.202 27.238 27.040 1.00 0.00 ATOM 704 O ASN 83 9.648 25.751 26.156 1.00 0.00 ATOM 705 C ASN 83 8.682 25.278 25.578 1.00 0.00 ATOM 706 N VAL 84 8.469 25.576 24.370 1.00 0.00 ATOM 707 CA VAL 84 9.147 26.690 23.702 1.00 0.00 ATOM 708 CB VAL 84 9.063 26.557 22.171 1.00 0.00 ATOM 709 CG1 VAL 84 9.641 27.749 21.393 1.00 0.00 ATOM 710 CG2 VAL 84 9.782 25.319 21.678 1.00 0.00 ATOM 711 O VAL 84 7.274 28.180 24.057 1.00 0.00 ATOM 712 C VAL 84 8.492 27.992 24.168 1.00 0.00 ATOM 713 N ARG 85 9.309 28.863 24.723 1.00 0.00 ATOM 714 CA ARG 85 8.788 30.182 25.094 1.00 0.00 ATOM 715 CB ARG 85 8.660 30.196 26.614 1.00 0.00 ATOM 716 CG ARG 85 7.982 31.451 27.138 1.00 0.00 ATOM 717 CD ARG 85 7.272 31.215 28.472 1.00 0.00 ATOM 718 NE ARG 85 6.808 32.471 29.105 1.00 0.00 ATOM 719 CZ ARG 85 6.191 32.646 30.283 1.00 0.00 ATOM 720 NH1 ARG 85 5.845 33.848 30.726 1.00 0.00 ATOM 721 NH2 ARG 85 5.947 31.630 31.087 1.00 0.00 ATOM 722 O ARG 85 10.622 31.105 23.824 1.00 0.00 ATOM 723 C ARG 85 9.547 31.290 24.344 1.00 0.00 ATOM 724 N VAL 86 8.911 32.436 24.225 1.00 0.00 ATOM 725 CA VAL 86 9.280 33.449 23.205 1.00 0.00 ATOM 726 CB VAL 86 8.153 34.483 23.073 1.00 0.00 ATOM 727 CG1 VAL 86 8.489 35.619 22.100 1.00 0.00 ATOM 728 CG2 VAL 86 6.900 33.776 22.548 1.00 0.00 ATOM 729 O VAL 86 11.328 34.548 22.533 1.00 0.00 ATOM 730 C VAL 86 10.642 34.117 23.451 1.00 0.00 ATOM 731 N VAL 87 10.848 34.463 24.703 1.00 0.00 ATOM 732 CA VAL 87 12.103 35.113 25.080 1.00 0.00 ATOM 733 CB VAL 87 11.809 36.554 25.599 1.00 0.00 ATOM 734 CG1 VAL 87 13.107 37.271 25.944 1.00 0.00 ATOM 735 CG2 VAL 87 11.028 37.352 24.570 1.00 0.00 ATOM 736 O VAL 87 12.236 33.785 27.083 1.00 0.00 ATOM 737 C VAL 87 12.838 34.298 26.132 1.00 0.00 ATOM 738 N THR 88 14.177 34.084 25.928 1.00 0.00 ATOM 739 CA THR 88 14.980 33.333 26.872 1.00 0.00 ATOM 740 CB THR 88 15.901 32.297 26.226 1.00 0.00 ATOM 741 CG2 THR 88 16.729 31.527 27.265 1.00 0.00 ATOM 742 OG1 THR 88 15.080 31.345 25.572 1.00 0.00 ATOM 743 O THR 88 16.689 35.009 27.036 1.00 0.00 ATOM 744 C THR 88 15.870 34.309 27.634 1.00 0.00 ATOM 745 N ASP 89 15.710 34.354 28.953 1.00 0.00 ATOM 746 CA ASP 89 16.498 35.233 29.758 1.00 0.00 ATOM 747 CB ASP 89 15.690 35.565 31.019 1.00 0.00 ATOM 748 CG ASP 89 16.455 36.523 31.919 1.00 0.00 ATOM 749 OD1 ASP 89 17.261 37.296 31.360 1.00 0.00 ATOM 750 OD2 ASP 89 16.158 36.504 33.114 1.00 0.00 ATOM 751 O ASP 89 17.834 33.722 31.117 1.00 0.00 ATOM 752 C ASP 89 17.764 34.461 30.129 1.00 0.00 ATOM 753 N TYR 90 18.684 34.502 29.173 1.00 0.00 ATOM 754 CA TYR 90 19.905 33.675 29.202 1.00 0.00 ATOM 755 CB TYR 90 20.841 34.029 28.044 1.00 0.00 ATOM 756 CG TYR 90 22.175 33.272 28.133 1.00 0.00 ATOM 757 CD1 TYR 90 22.228 31.967 27.680 1.00 0.00 ATOM 758 CD2 TYR 90 23.305 33.870 28.678 1.00 0.00 ATOM 759 CE1 TYR 90 23.417 31.258 27.754 1.00 0.00 ATOM 760 CE2 TYR 90 24.495 33.161 28.752 1.00 0.00 ATOM 761 CZ TYR 90 24.551 31.855 28.290 1.00 0.00 ATOM 762 OH TYR 90 25.726 31.173 28.335 1.00 0.00 ATOM 763 O TYR 90 21.161 32.856 31.107 1.00 0.00 ATOM 764 C TYR 90 20.660 33.825 30.519 1.00 0.00 ATOM 765 N SER 91 20.713 35.044 30.991 1.00 0.00 ATOM 766 CA SER 91 21.408 35.325 32.242 1.00 0.00 ATOM 767 CB SER 91 21.216 36.756 32.410 1.00 0.00 ATOM 768 OG SER 91 19.876 37.218 32.599 1.00 0.00 ATOM 769 O SER 91 21.593 34.430 34.454 1.00 0.00 ATOM 770 C SER 91 20.848 34.700 33.510 1.00 0.00 ATOM 771 N GLU 92 19.521 34.614 33.558 1.00 0.00 ATOM 772 CA GLU 92 18.837 34.000 34.699 1.00 0.00 ATOM 773 CB GLU 92 17.332 34.012 34.463 1.00 0.00 ATOM 774 CG GLU 92 16.544 33.558 35.696 1.00 0.00 ATOM 775 CD GLU 92 16.932 34.310 36.979 1.00 0.00 ATOM 776 OE1 GLU 92 16.631 35.514 37.105 1.00 0.00 ATOM 777 OE2 GLU 92 17.409 33.615 37.911 1.00 0.00 ATOM 778 O GLU 92 19.696 32.109 35.956 1.00 0.00 ATOM 779 C GLU 92 19.334 32.559 34.856 1.00 0.00 ATOM 780 N PHE 93 19.506 31.916 33.713 1.00 0.00 ATOM 781 CA PHE 93 20.063 30.555 33.647 1.00 0.00 ATOM 782 CB PHE 93 19.854 29.922 32.272 1.00 0.00 ATOM 783 CG PHE 93 18.370 29.731 31.963 1.00 0.00 ATOM 784 CD1 PHE 93 17.561 28.942 32.784 1.00 0.00 ATOM 785 CD2 PHE 93 17.821 30.343 30.844 1.00 0.00 ATOM 786 CE1 PHE 93 16.218 28.770 32.481 1.00 0.00 ATOM 787 CE2 PHE 93 16.475 30.161 30.539 1.00 0.00 ATOM 788 CZ PHE 93 15.678 29.379 31.364 1.00 0.00 ATOM 789 O PHE 93 21.940 29.672 34.854 1.00 0.00 ATOM 790 C PHE 93 21.514 30.562 34.117 1.00 0.00 ATOM 791 N GLN 94 22.272 31.568 33.690 1.00 0.00 ATOM 792 CA GLN 94 23.690 31.680 34.079 1.00 0.00 ATOM 793 CB GLN 94 24.222 32.947 33.413 1.00 0.00 ATOM 794 CG GLN 94 25.679 33.145 33.792 1.00 0.00 ATOM 795 CD GLN 94 26.291 34.378 33.184 1.00 0.00 ATOM 796 OE1 GLN 94 26.480 34.493 31.984 1.00 0.00 ATOM 797 NE2 GLN 94 26.588 35.309 34.052 1.00 0.00 ATOM 798 O GLN 94 24.584 31.071 36.236 1.00 0.00 ATOM 799 C GLN 94 23.790 31.780 35.615 1.00 0.00 ATOM 800 N LYS 95 22.990 32.658 36.212 1.00 0.00 ATOM 801 CA LYS 95 23.002 32.829 37.659 1.00 0.00 ATOM 802 CB LYS 95 22.033 33.954 37.979 1.00 0.00 ATOM 803 CG LYS 95 21.968 34.211 39.482 1.00 0.00 ATOM 804 CD LYS 95 21.208 35.496 39.782 1.00 0.00 ATOM 805 CE LYS 95 21.938 36.694 39.178 1.00 0.00 ATOM 806 NZ LYS 95 23.174 37.076 39.864 1.00 0.00 ATOM 807 O LYS 95 23.284 31.119 39.352 1.00 0.00 ATOM 808 C LYS 95 22.625 31.506 38.386 1.00 0.00 ATOM 809 N ILE 96 21.578 30.837 37.914 1.00 0.00 ATOM 810 CA ILE 96 21.144 29.585 38.522 1.00 0.00 ATOM 811 CB ILE 96 19.826 29.004 37.962 1.00 0.00 ATOM 812 CG1 ILE 96 19.470 27.693 38.674 1.00 0.00 ATOM 813 CG2 ILE 96 19.862 28.614 36.478 1.00 0.00 ATOM 814 CD1 ILE 96 19.218 27.793 40.179 1.00 0.00 ATOM 815 O ILE 96 22.565 27.856 39.389 1.00 0.00 ATOM 816 C ILE 96 22.290 28.583 38.433 1.00 0.00 ATOM 817 N LEU 97 22.958 28.546 37.284 1.00 0.00 ATOM 818 CA LEU 97 24.087 27.616 37.079 1.00 0.00 ATOM 819 CB LEU 97 24.690 27.826 35.699 1.00 0.00 ATOM 820 CG LEU 97 23.924 27.135 34.589 1.00 0.00 ATOM 821 CD1 LEU 97 24.405 27.681 33.242 1.00 0.00 ATOM 822 CD2 LEU 97 24.229 25.640 34.604 1.00 0.00 ATOM 823 O LEU 97 25.633 27.018 38.814 1.00 0.00 ATOM 824 C LEU 97 25.156 27.920 38.124 1.00 0.00 ATOM 825 N LYS 98 25.529 29.191 38.240 1.00 0.00 ATOM 826 CA LYS 98 26.546 29.600 39.213 1.00 0.00 ATOM 827 CB LYS 98 26.840 31.084 39.007 1.00 0.00 ATOM 828 CG LYS 98 28.006 31.547 39.885 1.00 0.00 ATOM 829 CD LYS 98 28.344 33.014 39.662 1.00 0.00 ATOM 830 CE LYS 98 29.494 33.441 40.582 1.00 0.00 ATOM 831 NZ LYS 98 29.884 34.843 40.363 1.00 0.00 ATOM 832 O LYS 98 26.896 28.838 41.492 1.00 0.00 ATOM 833 C LYS 98 26.086 29.275 40.673 1.00 0.00 ATOM 834 N LYS 99 24.808 29.492 40.968 1.00 0.00 ATOM 835 CA LYS 99 24.283 29.218 42.300 1.00 0.00 ATOM 836 CB LYS 99 22.811 29.587 42.446 1.00 0.00 ATOM 837 CG LYS 99 22.601 31.093 42.437 1.00 0.00 ATOM 838 CD LYS 99 21.110 31.396 42.630 1.00 0.00 ATOM 839 CE LYS 99 20.837 32.893 42.530 1.00 0.00 ATOM 840 NZ LYS 99 19.396 33.171 42.615 1.00 0.00 ATOM 841 O LYS 99 24.775 27.427 43.840 1.00 0.00 ATOM 842 C LYS 99 24.498 27.751 42.679 1.00 0.00 ATOM 843 N ARG 100 24.370 26.826 41.685 1.00 0.00 ATOM 844 CA ARG 100 24.532 25.393 41.899 1.00 0.00 ATOM 845 CB ARG 100 23.751 24.657 40.809 1.00 0.00 ATOM 846 CG ARG 100 22.236 24.697 40.939 1.00 0.00 ATOM 847 CD ARG 100 21.847 23.913 42.172 1.00 0.00 ATOM 848 NE ARG 100 22.228 22.512 42.226 1.00 0.00 ATOM 849 CZ ARG 100 22.067 21.717 43.273 1.00 0.00 ATOM 850 NH1 ARG 100 22.489 20.478 43.167 1.00 0.00 ATOM 851 NH2 ARG 100 21.506 22.088 44.414 1.00 0.00 ATOM 852 O ARG 100 26.233 23.752 41.544 1.00 0.00 ATOM 853 C ARG 100 25.985 24.945 41.718 1.00 0.00 ATOM 854 N GLY 101 26.919 25.896 41.717 1.00 0.00 ATOM 855 CA GLY 101 28.364 25.646 41.555 1.00 0.00 ATOM 856 O GLY 101 29.953 24.703 40.003 1.00 0.00 ATOM 857 C GLY 101 28.826 25.193 40.164 1.00 0.00 ATOM 858 N THR 102 27.993 25.429 39.143 1.00 0.00 ATOM 859 CA THR 102 28.343 25.140 37.750 1.00 0.00 ATOM 860 CB THR 102 27.102 24.821 36.897 1.00 0.00 ATOM 861 CG2 THR 102 27.536 24.492 35.484 1.00 0.00 ATOM 862 OG1 THR 102 26.345 23.708 37.414 1.00 0.00 ATOM 863 O THR 102 28.628 27.284 36.640 1.00 0.00 ATOM 864 C THR 102 29.153 26.324 37.206 1.00 0.00 ATOM 865 N LYS 103 30.447 26.267 37.503 1.00 0.00 ATOM 866 CA LYS 103 31.388 27.361 37.238 1.00 0.00 ATOM 867 CB LYS 103 32.786 26.940 37.672 1.00 0.00 ATOM 868 CG LYS 103 33.767 28.106 37.574 1.00 0.00 ATOM 869 CD LYS 103 35.140 27.652 38.015 1.00 0.00 ATOM 870 CE LYS 103 36.016 28.885 37.991 1.00 0.00 ATOM 871 NZ LYS 103 37.388 28.552 38.253 1.00 0.00 ATOM 872 O LYS 103 31.438 26.882 34.867 1.00 0.00 ATOM 873 C LYS 103 31.373 27.737 35.748 1.00 0.00 ATOM 874 N LEU 104 31.444 29.035 35.540 1.00 0.00 ATOM 875 CA LEU 104 31.426 29.595 34.185 1.00 0.00 ATOM 876 CB LEU 104 30.221 30.509 34.138 1.00 0.00 ATOM 877 CG LEU 104 28.886 29.878 34.536 1.00 0.00 ATOM 878 CD1 LEU 104 27.830 30.928 34.319 1.00 0.00 ATOM 879 CD2 LEU 104 28.474 28.604 33.796 1.00 0.00 ATOM 880 O LEU 104 33.286 30.893 34.969 1.00 0.00 ATOM 881 C LEU 104 32.718 30.385 34.002 1.00 0.00 ATOM 882 N GLU 105 33.180 30.487 32.759 1.00 0.00 ATOM 883 CA GLU 105 34.414 31.225 32.463 1.00 0.00 ATOM 884 CB GLU 105 35.532 30.459 31.751 1.00 0.00 ATOM 885 CG GLU 105 36.602 30.301 32.800 1.00 0.00 ATOM 886 CD GLU 105 37.982 30.901 32.562 1.00 0.00 ATOM 887 OE1 GLU 105 38.138 31.689 31.603 1.00 0.00 ATOM 888 OE2 GLU 105 38.815 30.602 33.448 1.00 0.00 ATOM 889 O GLU 105 33.001 32.991 31.676 1.00 0.00 ATOM 890 C GLU 105 34.121 32.480 31.659 1.00 0.00 ATOM 891 N HIS 106 35.130 32.978 30.951 1.00 0.00 ATOM 892 CA HIS 106 34.964 34.178 30.139 1.00 0.00 ATOM 893 CB HIS 106 36.288 34.466 29.418 1.00 0.00 ATOM 894 CG HIS 106 36.069 35.477 28.282 1.00 0.00 ATOM 895 CD2 HIS 106 36.073 36.797 28.355 1.00 0.00 ATOM 896 ND1 HIS 106 35.786 35.149 27.037 1.00 0.00 ATOM 897 CE1 HIS 106 35.637 36.274 26.345 1.00 0.00 ATOM 898 NE2 HIS 106 35.831 37.304 27.147 1.00 0.00 ATOM 899 O HIS 106 33.032 34.979 28.935 1.00 0.00 ATOM 900 C HIS 106 33.823 34.050 29.107 1.00 0.00 ATOM 901 N HIS 107 33.747 32.906 28.434 1.00 0.00 ATOM 902 CA HIS 107 32.706 32.681 27.439 1.00 0.00 ATOM 903 CB HIS 107 32.800 31.447 26.579 1.00 0.00 ATOM 904 CG HIS 107 33.981 31.399 25.670 1.00 0.00 ATOM 905 CD2 HIS 107 35.066 30.634 25.775 1.00 0.00 ATOM 906 ND1 HIS 107 33.979 32.026 24.511 1.00 0.00 ATOM 907 CE1 HIS 107 35.074 31.639 23.905 1.00 0.00 ATOM 908 NE2 HIS 107 35.768 30.801 24.671 1.00 0.00 ATOM 909 O HIS 107 30.415 33.389 27.517 1.00 0.00 ATOM 910 C HIS 107 31.302 32.709 28.035 1.00 0.00 ATOM 911 N HIS 108 31.104 31.973 29.123 1.00 0.00 ATOM 912 CA HIS 108 29.798 31.927 29.780 1.00 0.00 ATOM 913 CB HIS 108 29.655 30.940 30.915 1.00 0.00 ATOM 914 CG HIS 108 29.781 29.466 30.551 1.00 0.00 ATOM 915 CD2 HIS 108 28.785 28.613 30.302 1.00 0.00 ATOM 916 ND1 HIS 108 30.908 28.766 30.649 1.00 0.00 ATOM 917 CE1 HIS 108 30.608 27.482 30.475 1.00 0.00 ATOM 918 NE2 HIS 108 29.304 27.377 30.261 1.00 0.00 ATOM 919 O HIS 108 28.315 33.776 30.188 1.00 0.00 ATOM 920 C HIS 108 29.464 33.342 30.271 1.00 0.00 ATOM 921 N HIS 109 30.469 34.050 30.776 1.00 0.00 ATOM 922 CA HIS 109 30.263 35.407 31.268 1.00 0.00 ATOM 923 CB HIS 109 31.539 35.932 31.929 1.00 0.00 ATOM 924 CG HIS 109 31.439 37.354 32.368 1.00 0.00 ATOM 925 CD2 HIS 109 31.901 38.495 31.804 1.00 0.00 ATOM 926 ND1 HIS 109 30.775 37.729 33.517 1.00 0.00 ATOM 927 CE1 HIS 109 30.843 39.044 33.646 1.00 0.00 ATOM 928 NE2 HIS 109 31.521 39.531 32.620 1.00 0.00 ATOM 929 O HIS 109 28.977 37.223 30.372 1.00 0.00 ATOM 930 C HIS 109 29.841 36.370 30.164 1.00 0.00 ATOM 931 N HIS 110 30.450 36.233 28.991 1.00 0.00 ATOM 932 CA HIS 110 30.123 37.097 27.865 1.00 0.00 ATOM 933 CB HIS 110 31.139 36.877 26.736 1.00 0.00 ATOM 934 CG HIS 110 30.882 37.787 25.532 1.00 0.00 ATOM 935 CD2 HIS 110 30.331 37.429 24.381 1.00 0.00 ATOM 936 ND1 HIS 110 31.122 39.100 25.493 1.00 0.00 ATOM 937 CE1 HIS 110 30.679 39.523 24.318 1.00 0.00 ATOM 938 NE2 HIS 110 30.247 38.487 23.603 1.00 0.00 ATOM 939 O HIS 110 27.978 37.762 27.082 1.00 0.00 ATOM 940 C HIS 110 28.782 36.843 27.253 1.00 0.00 ATOM 941 N HIS 111 28.520 35.584 26.915 1.00 0.00 ATOM 942 CA HIS 111 27.247 35.213 26.309 1.00 0.00 ATOM 943 CB HIS 111 27.295 33.745 25.884 1.00 0.00 ATOM 944 CG HIS 111 28.137 33.542 24.628 1.00 0.00 ATOM 945 CD2 HIS 111 29.284 32.896 24.552 1.00 0.00 ATOM 946 ND1 HIS 111 27.804 33.886 23.397 1.00 0.00 ATOM 947 CE1 HIS 111 28.751 33.541 22.542 1.00 0.00 ATOM 948 NE2 HIS 111 29.637 32.900 23.276 1.00 0.00 ATOM 949 O HIS 111 26.392 35.711 28.478 1.00 0.00 ATOM 950 C HIS 111 26.096 35.416 27.308 1.00 0.00 TER END