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 4 Wed Jul 16 17:44:58 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 13.823 25.453 23.455 1.00 0.00 ATOM 2 CA MET 1 14.302 25.245 22.071 1.00 0.00 ATOM 3 CB MET 1 13.887 26.399 21.176 1.00 0.00 ATOM 4 CG MET 1 14.446 26.316 19.778 1.00 0.00 ATOM 5 SD MET 1 13.663 27.489 18.655 1.00 0.00 ATOM 6 CE MET 1 14.591 28.949 19.060 1.00 0.00 ATOM 7 O MET 1 16.465 25.997 22.786 1.00 0.00 ATOM 8 C MET 1 15.818 25.360 21.954 1.00 0.00 ATOM 9 N ASN 2 16.382 24.743 20.920 1.00 0.00 ATOM 10 CA ASN 2 17.852 24.785 20.698 1.00 0.00 ATOM 11 CB ASN 2 18.142 24.151 19.365 1.00 0.00 ATOM 12 CG ASN 2 19.592 24.342 18.968 1.00 0.00 ATOM 13 ND2 ASN 2 19.891 24.045 17.718 1.00 0.00 ATOM 14 OD1 ASN 2 20.437 24.736 19.780 1.00 0.00 ATOM 15 O ASN 2 17.663 26.942 19.678 1.00 0.00 ATOM 16 C ASN 2 18.327 26.193 20.396 1.00 0.00 ATOM 17 N SER 3 19.482 26.557 20.945 1.00 0.00 ATOM 18 CA SER 3 20.037 27.887 20.725 1.00 0.00 ATOM 19 CB SER 3 21.294 28.105 21.568 1.00 0.00 ATOM 20 OG SER 3 20.995 28.057 22.952 1.00 0.00 ATOM 21 O SER 3 20.223 29.206 18.729 1.00 0.00 ATOM 22 C SER 3 20.405 28.110 19.262 1.00 0.00 ATOM 23 N GLU 4 20.922 27.071 18.614 1.00 0.00 ATOM 24 CA GLU 4 21.307 27.170 17.213 1.00 0.00 ATOM 25 CB GLU 4 22.021 25.888 16.780 1.00 0.00 ATOM 26 CG GLU 4 23.387 25.693 17.415 1.00 0.00 ATOM 27 CD GLU 4 24.011 24.358 17.060 1.00 0.00 ATOM 28 OE1 GLU 4 23.344 23.554 16.374 1.00 0.00 ATOM 29 OE2 GLU 4 25.165 24.115 17.467 1.00 0.00 ATOM 30 O GLU 4 20.208 28.309 15.410 1.00 0.00 ATOM 31 C GLU 4 20.113 27.481 16.316 1.00 0.00 ATOM 32 N VAL 5 18.990 26.816 16.571 1.00 0.00 ATOM 33 CA VAL 5 17.800 27.033 15.781 1.00 0.00 ATOM 34 CB VAL 5 16.686 26.066 16.222 1.00 0.00 ATOM 35 CG1 VAL 5 15.381 26.397 15.515 1.00 0.00 ATOM 36 CG2 VAL 5 17.064 24.630 15.888 1.00 0.00 ATOM 37 O VAL 5 16.884 29.102 15.007 1.00 0.00 ATOM 38 C VAL 5 17.293 28.447 15.967 1.00 0.00 ATOM 39 N ILE 6 17.318 28.926 17.207 1.00 0.00 ATOM 40 CA ILE 6 16.856 30.277 17.505 1.00 0.00 ATOM 41 CB ILE 6 16.983 30.670 18.968 1.00 0.00 ATOM 42 CG1 ILE 6 15.992 29.845 19.798 1.00 0.00 ATOM 43 CG2 ILE 6 16.742 32.162 19.133 1.00 0.00 ATOM 44 CD1 ILE 6 16.242 29.908 21.292 1.00 0.00 ATOM 45 O ILE 6 17.145 32.107 15.981 1.00 0.00 ATOM 46 C ILE 6 17.689 31.269 16.701 1.00 0.00 ATOM 47 N LYS 7 19.010 31.172 16.822 1.00 0.00 ATOM 48 CA LYS 7 19.903 32.068 16.097 1.00 0.00 ATOM 49 CB LYS 7 21.363 31.739 16.414 1.00 0.00 ATOM 50 CG LYS 7 22.366 32.671 15.754 1.00 0.00 ATOM 51 CD LYS 7 23.788 32.338 16.174 1.00 0.00 ATOM 52 CE LYS 7 24.795 33.249 15.491 1.00 0.00 ATOM 53 NZ LYS 7 26.194 32.925 15.883 1.00 0.00 ATOM 54 O LYS 7 19.626 33.065 13.931 1.00 0.00 ATOM 55 C LYS 7 19.662 32.025 14.591 1.00 0.00 ATOM 56 N GLU 8 19.499 30.822 14.050 1.00 0.00 ATOM 57 CA GLU 8 19.262 30.666 12.629 1.00 0.00 ATOM 58 CB GLU 8 19.156 29.190 12.244 1.00 0.00 ATOM 59 CG GLU 8 20.466 28.426 12.344 1.00 0.00 ATOM 60 CD GLU 8 20.298 26.945 12.076 1.00 0.00 ATOM 61 OE1 GLU 8 19.148 26.500 11.885 1.00 0.00 ATOM 62 OE2 GLU 8 21.320 26.224 12.058 1.00 0.00 ATOM 63 O GLU 8 17.919 32.055 11.213 1.00 0.00 ATOM 64 C GLU 8 17.979 31.384 12.244 1.00 0.00 ATOM 65 N PHE 9 16.951 31.245 13.075 1.00 0.00 ATOM 66 CA PHE 9 15.671 31.892 12.809 1.00 0.00 ATOM 67 CB PHE 9 14.629 31.537 13.871 1.00 0.00 ATOM 68 CG PHE 9 13.291 32.181 13.647 1.00 0.00 ATOM 69 CD1 PHE 9 12.418 31.684 12.696 1.00 0.00 ATOM 70 CD2 PHE 9 12.906 33.284 14.388 1.00 0.00 ATOM 71 CE1 PHE 9 11.187 32.276 12.490 1.00 0.00 ATOM 72 CE2 PHE 9 11.674 33.877 14.182 1.00 0.00 ATOM 73 CZ PHE 9 10.816 33.377 13.238 1.00 0.00 ATOM 74 O PHE 9 15.290 34.098 11.942 1.00 0.00 ATOM 75 C PHE 9 15.818 33.411 12.817 1.00 0.00 ATOM 76 N LEU 10 16.535 33.932 13.808 1.00 0.00 ATOM 77 CA LEU 10 16.734 35.341 13.904 1.00 0.00 ATOM 78 CB LEU 10 17.516 35.670 15.177 1.00 0.00 ATOM 79 CG LEU 10 16.784 35.438 16.502 1.00 0.00 ATOM 80 CD1 LEU 10 17.728 35.629 17.678 1.00 0.00 ATOM 81 CD2 LEU 10 15.628 36.414 16.656 1.00 0.00 ATOM 82 O LEU 10 17.171 36.956 12.184 1.00 0.00 ATOM 83 C LEU 10 17.483 35.877 12.689 1.00 0.00 ATOM 84 N GLU 11 18.468 35.122 12.222 1.00 0.00 ATOM 85 CA GLU 11 19.252 35.535 11.064 1.00 0.00 ATOM 86 CB GLU 11 20.361 34.525 10.776 1.00 0.00 ATOM 87 CG GLU 11 21.476 34.514 11.809 1.00 0.00 ATOM 88 CD GLU 11 22.493 33.418 11.561 1.00 0.00 ATOM 89 OE1 GLU 11 22.289 32.621 10.621 1.00 0.00 ATOM 90 OE2 GLU 11 23.495 33.358 12.304 1.00 0.00 ATOM 91 O GLU 11 18.371 36.589 9.096 1.00 0.00 ATOM 92 C GLU 11 18.330 35.618 9.852 1.00 0.00 ATOM 93 N ASP 12 17.499 34.596 9.668 1.00 0.00 ATOM 94 CA ASP 12 16.549 34.562 8.523 1.00 0.00 ATOM 95 CB ASP 12 15.743 33.261 8.514 1.00 0.00 ATOM 96 CG ASP 12 16.581 32.058 8.132 1.00 0.00 ATOM 97 OD1 ASP 12 17.711 32.255 7.637 1.00 0.00 ATOM 98 OD2 ASP 12 16.109 30.919 8.325 1.00 0.00 ATOM 99 O ASP 12 15.259 36.303 7.492 1.00 0.00 ATOM 100 C ASP 12 15.595 35.752 8.541 1.00 0.00 ATOM 101 N ILE 13 15.161 36.146 9.734 1.00 0.00 ATOM 102 CA ILE 13 14.225 37.302 9.884 1.00 0.00 ATOM 103 CB ILE 13 13.404 37.110 11.173 1.00 0.00 ATOM 104 CG1 ILE 13 14.313 37.198 12.401 1.00 0.00 ATOM 105 CG2 ILE 13 12.725 35.749 11.174 1.00 0.00 ATOM 106 CD1 ILE 13 13.563 37.224 13.715 1.00 0.00 ATOM 107 O ILE 13 14.118 39.698 9.955 1.00 0.00 ATOM 108 C ILE 13 14.834 38.696 9.991 1.00 0.00 ATOM 109 N GLY 14 16.156 38.759 10.121 1.00 0.00 ATOM 110 CA GLY 14 16.830 40.070 10.259 1.00 0.00 ATOM 111 O GLY 14 16.291 41.912 11.724 1.00 0.00 ATOM 112 C GLY 14 16.447 40.695 11.620 1.00 0.00 ATOM 113 N GLU 15 16.303 39.860 12.643 1.00 0.00 ATOM 114 CA GLU 15 15.947 40.346 13.971 1.00 0.00 ATOM 115 CB GLU 15 14.439 39.982 14.257 1.00 0.00 ATOM 116 CG GLU 15 13.469 40.160 13.090 1.00 0.00 ATOM 117 CD GLU 15 13.067 41.594 12.827 1.00 0.00 ATOM 118 OE1 GLU 15 13.183 42.441 13.746 1.00 0.00 ATOM 119 OE2 GLU 15 12.622 41.879 11.681 1.00 0.00 ATOM 120 O GLU 15 17.927 39.365 14.904 1.00 0.00 ATOM 121 C GLU 15 17.110 40.285 14.955 1.00 0.00 ATOM 122 N ASP 16 17.183 41.264 15.851 1.00 0.00 ATOM 123 CA ASP 16 18.268 41.312 16.862 1.00 0.00 ATOM 124 CB ASP 16 18.515 42.761 17.285 1.00 0.00 ATOM 125 CG ASP 16 19.282 43.549 16.243 1.00 0.00 ATOM 126 OD1 ASP 16 19.840 42.926 15.317 1.00 0.00 ATOM 127 OD2 ASP 16 19.326 44.793 16.352 1.00 0.00 ATOM 128 O ASP 16 16.764 40.089 18.268 1.00 0.00 ATOM 129 C ASP 16 17.902 40.535 18.115 1.00 0.00 ATOM 130 N TYR 17 18.867 40.371 19.015 1.00 0.00 ATOM 131 CA TYR 17 18.628 39.644 20.256 1.00 0.00 ATOM 132 CB TYR 17 19.897 40.158 21.288 1.00 0.00 ATOM 133 CG TYR 17 21.230 40.459 20.610 1.00 0.00 ATOM 134 CD1 TYR 17 21.447 41.655 19.952 1.00 0.00 ATOM 135 CD2 TYR 17 22.240 39.526 20.663 1.00 0.00 ATOM 136 CE1 TYR 17 22.664 41.921 19.349 1.00 0.00 ATOM 137 CE2 TYR 17 23.448 39.793 20.066 1.00 0.00 ATOM 138 CZ TYR 17 23.661 40.985 19.409 1.00 0.00 ATOM 139 OH TYR 17 24.881 41.210 18.824 1.00 0.00 ATOM 140 O TYR 17 16.605 39.678 21.536 1.00 0.00 ATOM 141 C TYR 17 17.547 40.325 21.077 1.00 0.00 ATOM 142 N ILE 18 17.681 41.634 21.263 1.00 0.00 ATOM 143 CA ILE 18 16.702 42.392 22.034 1.00 0.00 ATOM 144 CB ILE 18 17.128 43.847 22.306 1.00 0.00 ATOM 145 CG1 ILE 18 18.353 43.880 23.223 1.00 0.00 ATOM 146 CG2 ILE 18 16.000 44.616 22.979 1.00 0.00 ATOM 147 CD1 ILE 18 18.995 45.246 23.334 1.00 0.00 ATOM 148 O ILE 18 14.305 42.263 22.058 1.00 0.00 ATOM 149 C ILE 18 15.322 42.382 21.374 1.00 0.00 ATOM 150 N GLU 19 15.274 42.495 20.049 1.00 0.00 ATOM 151 CA GLU 19 13.982 42.472 19.373 1.00 0.00 ATOM 152 CB GLU 19 14.186 42.756 17.884 1.00 0.00 ATOM 153 CG GLU 19 14.650 44.171 17.578 1.00 0.00 ATOM 154 CD GLU 19 14.959 44.379 16.110 1.00 0.00 ATOM 155 OE1 GLU 19 14.881 43.398 15.341 1.00 0.00 ATOM 156 OE2 GLU 19 15.280 45.524 15.725 1.00 0.00 ATOM 157 O GLU 19 12.129 41.014 19.821 1.00 0.00 ATOM 158 C GLU 19 13.338 41.112 19.593 1.00 0.00 ATOM 159 N LEU 20 14.160 40.069 19.541 1.00 0.00 ATOM 160 CA LEU 20 13.696 38.705 19.770 1.00 0.00 ATOM 161 CB LEU 20 14.835 37.709 19.552 1.00 0.00 ATOM 162 CG LEU 20 14.493 36.230 19.752 1.00 0.00 ATOM 163 CD1 LEU 20 13.413 35.792 18.774 1.00 0.00 ATOM 164 CD2 LEU 20 15.719 35.359 19.527 1.00 0.00 ATOM 165 O LEU 20 12.069 37.971 21.385 1.00 0.00 ATOM 166 C LEU 20 13.171 38.587 21.144 1.00 0.00 ATOM 167 N GLU 21 13.901 39.168 22.091 1.00 0.00 ATOM 168 CA GLU 21 13.544 39.140 23.472 1.00 0.00 ATOM 169 CB GLU 21 14.486 39.853 24.305 1.00 0.00 ATOM 170 CG GLU 21 15.760 39.046 24.483 1.00 0.00 ATOM 171 CD GLU 21 15.557 37.665 25.115 1.00 0.00 ATOM 172 OE1 GLU 21 15.195 37.582 26.320 1.00 0.00 ATOM 173 OE2 GLU 21 15.800 36.647 24.416 1.00 0.00 ATOM 174 O GLU 21 11.335 39.387 24.399 1.00 0.00 ATOM 175 C GLU 21 12.203 39.866 23.669 1.00 0.00 ATOM 176 N ASN 22 12.044 41.013 23.017 1.00 0.00 ATOM 177 CA ASN 22 10.810 41.783 23.131 1.00 0.00 ATOM 178 CB ASN 22 10.889 43.071 22.310 1.00 0.00 ATOM 179 CG ASN 22 11.788 44.114 22.946 1.00 0.00 ATOM 180 ND2 ASN 22 12.242 45.071 22.145 1.00 0.00 ATOM 181 OD1 ASN 22 12.068 44.057 24.144 1.00 0.00 ATOM 182 O ASN 22 8.570 40.920 23.220 1.00 0.00 ATOM 183 C ASN 22 9.643 40.941 22.616 1.00 0.00 ATOM 184 N GLU 23 9.856 40.246 21.502 1.00 0.00 ATOM 185 CA GLU 23 8.814 39.408 20.924 1.00 0.00 ATOM 186 CB GLU 23 9.358 39.038 19.482 1.00 0.00 ATOM 187 CG GLU 23 8.419 38.111 18.717 1.00 0.00 ATOM 188 CD GLU 23 9.000 37.647 17.399 1.00 0.00 ATOM 189 OE1 GLU 23 9.810 38.398 16.787 1.00 0.00 ATOM 190 OE2 GLU 23 8.644 36.526 16.985 1.00 0.00 ATOM 191 O GLU 23 7.376 37.761 21.848 1.00 0.00 ATOM 192 C GLU 23 8.513 38.232 21.786 1.00 0.00 ATOM 193 N ILE 24 9.538 37.735 22.472 1.00 0.00 ATOM 194 CA ILE 24 9.370 36.586 23.353 1.00 0.00 ATOM 195 CB ILE 24 10.689 35.828 23.599 1.00 0.00 ATOM 196 CG1 ILE 24 11.691 36.724 24.330 1.00 0.00 ATOM 197 CG2 ILE 24 11.306 35.396 22.278 1.00 0.00 ATOM 198 CD1 ILE 24 12.934 35.999 24.792 1.00 0.00 ATOM 199 O ILE 24 8.472 36.208 25.555 1.00 0.00 ATOM 200 C ILE 24 8.852 37.037 24.727 1.00 0.00 ATOM 201 N HIS 25 8.841 38.444 24.941 1.00 0.00 ATOM 202 CA HIS 25 8.336 38.984 26.197 1.00 0.00 ATOM 203 CB HIS 25 6.778 38.702 26.309 1.00 0.00 ATOM 204 CG HIS 25 6.046 38.698 25.001 1.00 0.00 ATOM 205 CD2 HIS 25 5.681 37.680 24.188 1.00 0.00 ATOM 206 ND1 HIS 25 5.739 39.860 24.322 1.00 0.00 ATOM 207 CE1 HIS 25 5.229 39.556 23.142 1.00 0.00 ATOM 208 NE2 HIS 25 5.183 38.239 23.035 1.00 0.00 ATOM 209 O HIS 25 8.770 38.275 28.473 1.00 0.00 ATOM 210 C HIS 25 9.234 38.529 27.354 1.00 0.00 ATOM 211 N LEU 26 10.525 38.399 27.058 1.00 0.00 ATOM 212 CA LEU 26 11.536 38.033 28.051 1.00 0.00 ATOM 213 CB LEU 26 12.186 36.719 27.614 1.00 0.00 ATOM 214 CG LEU 26 11.253 35.515 27.471 1.00 0.00 ATOM 215 CD1 LEU 26 11.991 34.330 26.868 1.00 0.00 ATOM 216 CD2 LEU 26 10.706 35.095 28.827 1.00 0.00 ATOM 217 O LEU 26 12.687 39.938 27.155 1.00 0.00 ATOM 218 C LEU 26 12.569 39.154 28.098 1.00 0.00 ATOM 219 N LYS 27 13.316 39.230 29.195 1.00 0.00 ATOM 220 CA LYS 27 14.339 40.263 29.346 1.00 0.00 ATOM 221 CB LYS 27 14.847 40.306 30.788 1.00 0.00 ATOM 222 CG LYS 27 13.831 40.826 31.791 1.00 0.00 ATOM 223 CD LYS 27 14.414 40.873 33.194 1.00 0.00 ATOM 224 CE LYS 27 13.398 41.395 34.197 1.00 0.00 ATOM 225 NZ LYS 27 13.960 41.457 35.574 1.00 0.00 ATOM 226 O LYS 27 15.687 38.768 28.042 1.00 0.00 ATOM 227 C LYS 27 15.493 39.927 28.410 1.00 0.00 ATOM 228 N PRO 28 16.275 40.942 28.007 1.00 0.00 ATOM 229 CA PRO 28 17.403 40.682 27.108 1.00 0.00 ATOM 230 CB PRO 28 18.076 42.047 26.959 1.00 0.00 ATOM 231 CG PRO 28 16.965 43.032 27.115 1.00 0.00 ATOM 232 CD PRO 28 16.074 42.486 28.197 1.00 0.00 ATOM 233 O PRO 28 18.799 38.741 26.905 1.00 0.00 ATOM 234 C PRO 28 18.358 39.621 27.645 1.00 0.00 ATOM 235 N GLU 29 18.675 39.705 28.933 1.00 0.00 ATOM 236 CA GLU 29 19.589 38.733 29.565 1.00 0.00 ATOM 237 CB GLU 29 19.757 39.020 31.059 1.00 0.00 ATOM 238 CG GLU 29 20.526 40.295 31.362 1.00 0.00 ATOM 239 CD GLU 29 20.566 40.613 32.844 1.00 0.00 ATOM 240 OE1 GLU 29 19.929 39.877 33.625 1.00 0.00 ATOM 241 OE2 GLU 29 21.235 41.599 33.223 1.00 0.00 ATOM 242 O GLU 29 19.877 36.359 29.349 1.00 0.00 ATOM 243 C GLU 29 19.084 37.295 29.468 1.00 0.00 ATOM 244 N VAL 30 17.768 37.121 29.519 1.00 0.00 ATOM 245 CA VAL 30 17.177 35.790 29.434 1.00 0.00 ATOM 246 CB VAL 30 15.647 35.857 29.275 1.00 0.00 ATOM 247 CG1 VAL 30 15.087 34.485 28.932 1.00 0.00 ATOM 248 CG2 VAL 30 14.998 36.333 30.566 1.00 0.00 ATOM 249 O VAL 30 17.956 33.887 28.187 1.00 0.00 ATOM 250 C VAL 30 17.644 35.078 28.159 1.00 0.00 ATOM 251 N PHE 31 17.689 35.809 27.049 1.00 0.00 ATOM 252 CA PHE 31 18.118 35.232 25.781 1.00 0.00 ATOM 253 CB PHE 31 18.130 36.303 24.688 1.00 0.00 ATOM 254 CG PHE 31 18.651 35.815 23.367 1.00 0.00 ATOM 255 CD1 PHE 31 17.851 35.058 22.528 1.00 0.00 ATOM 256 CD2 PHE 31 19.941 36.112 22.961 1.00 0.00 ATOM 257 CE1 PHE 31 18.331 34.607 21.313 1.00 0.00 ATOM 258 CE2 PHE 31 20.418 35.663 21.745 1.00 0.00 ATOM 259 CZ PHE 31 19.620 34.913 20.922 1.00 0.00 ATOM 260 O PHE 31 19.770 33.649 25.217 1.00 0.00 ATOM 261 C PHE 31 19.525 34.713 25.778 1.00 0.00 ATOM 262 N TYR 32 20.478 35.500 26.331 1.00 0.00 ATOM 263 CA TYR 32 21.870 35.104 26.389 1.00 0.00 ATOM 264 CB TYR 32 22.809 36.121 26.914 1.00 0.00 ATOM 265 CG TYR 32 23.074 37.193 25.868 1.00 0.00 ATOM 266 CD1 TYR 32 23.578 36.846 24.604 1.00 0.00 ATOM 267 CD2 TYR 32 22.788 38.531 26.122 1.00 0.00 ATOM 268 CE1 TYR 32 23.797 37.819 23.623 1.00 0.00 ATOM 269 CE2 TYR 32 23.028 39.526 25.146 1.00 0.00 ATOM 270 CZ TYR 32 23.528 39.150 23.907 1.00 0.00 ATOM 271 OH TYR 32 23.755 40.108 22.930 1.00 0.00 ATOM 272 O TYR 32 22.661 32.886 26.852 1.00 0.00 ATOM 273 C TYR 32 21.921 33.809 27.193 1.00 0.00 ATOM 274 N GLU 33 21.132 33.743 28.262 1.00 0.00 ATOM 275 CA GLU 33 21.099 32.557 29.097 1.00 0.00 ATOM 276 CB GLU 33 20.101 32.781 30.236 1.00 0.00 ATOM 277 CG GLU 33 20.560 33.792 31.272 1.00 0.00 ATOM 278 CD GLU 33 19.491 34.091 32.307 1.00 0.00 ATOM 279 OE1 GLU 33 18.366 33.571 32.166 1.00 0.00 ATOM 280 OE2 GLU 33 19.783 34.847 33.258 1.00 0.00 ATOM 281 O GLU 33 21.146 30.259 28.335 1.00 0.00 ATOM 282 C GLU 33 20.640 31.378 28.229 1.00 0.00 ATOM 283 N VAL 34 19.680 31.716 27.378 1.00 0.00 ATOM 284 CA VAL 34 19.141 30.706 26.474 1.00 0.00 ATOM 285 CB VAL 34 18.020 31.331 25.622 1.00 0.00 ATOM 286 CG1 VAL 34 17.587 30.370 24.526 1.00 0.00 ATOM 287 CG2 VAL 34 16.811 31.650 26.488 1.00 0.00 ATOM 288 O VAL 34 20.386 29.038 25.281 1.00 0.00 ATOM 289 C VAL 34 20.218 30.238 25.502 1.00 0.00 ATOM 290 N TRP 35 20.947 31.187 24.921 1.00 0.00 ATOM 291 CA TRP 35 22.027 30.855 23.957 1.00 0.00 ATOM 292 CB TRP 35 21.537 31.110 22.530 1.00 0.00 ATOM 293 CG TRP 35 22.582 30.868 21.485 1.00 0.00 ATOM 294 CD1 TRP 35 22.888 29.676 20.893 1.00 0.00 ATOM 295 CD2 TRP 35 23.458 31.842 20.905 1.00 0.00 ATOM 296 CE2 TRP 35 24.270 31.167 19.970 1.00 0.00 ATOM 297 CE3 TRP 35 23.638 33.217 21.085 1.00 0.00 ATOM 298 NE1 TRP 35 23.901 29.846 19.981 1.00 0.00 ATOM 299 CZ2 TRP 35 25.243 31.822 19.218 1.00 0.00 ATOM 300 CZ3 TRP 35 24.604 33.860 20.336 1.00 0.00 ATOM 301 CH2 TRP 35 25.397 33.167 19.414 1.00 0.00 ATOM 302 O TRP 35 23.098 32.969 24.124 1.00 0.00 ATOM 303 C TRP 35 23.221 31.744 24.081 1.00 0.00 ATOM 304 N LYS 36 24.400 31.133 24.140 1.00 0.00 ATOM 305 CA LYS 36 25.638 31.894 24.260 1.00 0.00 ATOM 306 CB LYS 36 26.267 32.001 25.387 1.00 0.00 ATOM 307 CG LYS 36 26.113 33.490 25.695 1.00 0.00 ATOM 308 CD LYS 36 26.954 33.922 26.900 1.00 0.00 ATOM 309 CE LYS 36 26.105 34.190 28.146 1.00 0.00 ATOM 310 NZ LYS 36 25.589 32.981 28.850 1.00 0.00 ATOM 311 O LYS 36 26.893 30.090 23.276 1.00 0.00 ATOM 312 C LYS 36 26.913 31.232 23.770 1.00 0.00 ATOM 313 N TYR 37 28.057 31.989 24.021 1.00 0.00 ATOM 314 CA TYR 37 29.320 31.412 23.602 1.00 0.00 ATOM 315 CB TYR 37 29.848 32.044 22.311 1.00 0.00 ATOM 316 CG TYR 37 30.134 33.523 22.426 1.00 0.00 ATOM 317 CD1 TYR 37 31.400 33.977 22.770 1.00 0.00 ATOM 318 CD2 TYR 37 29.137 34.462 22.187 1.00 0.00 ATOM 319 CE1 TYR 37 31.673 35.328 22.878 1.00 0.00 ATOM 320 CE2 TYR 37 29.392 35.817 22.288 1.00 0.00 ATOM 321 CZ TYR 37 30.672 36.244 22.637 1.00 0.00 ATOM 322 OH TYR 37 30.941 37.590 22.743 1.00 0.00 ATOM 323 O TYR 37 30.249 32.515 25.527 1.00 0.00 ATOM 324 C TYR 37 30.332 31.573 24.725 1.00 0.00 ATOM 325 N VAL 38 31.316 30.678 24.692 1.00 0.00 ATOM 326 CA VAL 38 32.478 30.742 25.560 1.00 0.00 ATOM 327 CB VAL 38 32.489 29.585 26.557 1.00 0.00 ATOM 328 CG1 VAL 38 33.773 29.593 27.364 1.00 0.00 ATOM 329 CG2 VAL 38 31.260 29.691 27.459 1.00 0.00 ATOM 330 O VAL 38 33.693 29.711 23.765 1.00 0.00 ATOM 331 C VAL 38 33.729 30.482 24.725 1.00 0.00 ATOM 332 N GLY 39 34.833 31.125 25.093 1.00 0.00 ATOM 333 CA GLY 39 36.065 30.948 24.375 1.00 0.00 ATOM 334 O GLY 39 37.009 30.526 26.551 1.00 0.00 ATOM 335 C GLY 39 37.092 30.328 25.338 1.00 0.00 ATOM 336 N GLU 40 38.049 29.583 24.793 1.00 0.00 ATOM 337 CA GLU 40 39.075 28.950 25.616 1.00 0.00 ATOM 338 CB GLU 40 40.343 29.995 25.583 1.00 0.00 ATOM 339 CG GLU 40 40.723 30.756 24.293 1.00 0.00 ATOM 340 CD GLU 40 40.823 29.880 23.036 1.00 0.00 ATOM 341 OE1 GLU 40 40.330 30.298 21.937 1.00 0.00 ATOM 342 OE2 GLU 40 41.371 28.742 23.134 1.00 0.00 ATOM 343 O GLU 40 38.543 28.697 27.946 1.00 0.00 ATOM 344 C GLU 40 38.380 28.279 26.798 1.00 0.00 ATOM 345 N PRO 41 37.633 27.194 26.540 1.00 0.00 ATOM 346 CA PRO 41 37.416 26.580 25.228 1.00 0.00 ATOM 347 CB PRO 41 37.141 25.100 25.506 1.00 0.00 ATOM 348 CG PRO 41 36.557 25.080 26.878 1.00 0.00 ATOM 349 CD PRO 41 37.284 26.142 27.656 1.00 0.00 ATOM 350 O PRO 41 35.326 27.741 25.018 1.00 0.00 ATOM 351 C PRO 41 36.232 27.136 24.442 1.00 0.00 ATOM 352 N GLU 42 36.239 26.929 23.130 1.00 0.00 ATOM 353 CA GLU 42 35.157 27.413 22.282 1.00 0.00 ATOM 354 CB GLU 42 35.599 27.347 20.818 1.00 0.00 ATOM 355 CG GLU 42 34.587 27.920 19.839 1.00 0.00 ATOM 356 CD GLU 42 35.068 27.859 18.402 1.00 0.00 ATOM 357 OE1 GLU 42 36.191 27.364 18.172 1.00 0.00 ATOM 358 OE2 GLU 42 34.322 28.309 17.506 1.00 0.00 ATOM 359 O GLU 42 33.917 25.362 22.100 1.00 0.00 ATOM 360 C GLU 42 33.924 26.530 22.490 1.00 0.00 ATOM 361 N LEU 43 32.887 27.092 23.104 1.00 0.00 ATOM 362 CA LEU 43 31.661 26.342 23.352 1.00 0.00 ATOM 363 CB LEU 43 31.628 25.908 24.819 1.00 0.00 ATOM 364 CG LEU 43 32.717 24.929 25.261 1.00 0.00 ATOM 365 CD1 LEU 43 32.699 24.751 26.771 1.00 0.00 ATOM 366 CD2 LEU 43 32.509 23.567 24.618 1.00 0.00 ATOM 367 O LEU 43 30.392 28.351 23.369 1.00 0.00 ATOM 368 C LEU 43 30.415 27.166 23.029 1.00 0.00 ATOM 369 N LYS 44 29.432 26.491 22.408 1.00 0.00 ATOM 370 CA LYS 44 28.136 27.113 22.154 1.00 0.00 ATOM 371 CB LYS 44 27.876 27.194 20.632 1.00 0.00 ATOM 372 CG LYS 44 28.901 27.959 19.841 1.00 0.00 ATOM 373 CD LYS 44 28.262 28.557 18.594 1.00 0.00 ATOM 374 CE LYS 44 29.271 29.425 17.857 1.00 0.00 ATOM 375 NZ LYS 44 29.989 30.336 18.819 1.00 0.00 ATOM 376 O LYS 44 27.169 25.267 23.316 1.00 0.00 ATOM 377 C LYS 44 27.226 26.490 23.207 1.00 0.00 ATOM 378 N THR 45 26.530 27.307 23.992 1.00 0.00 ATOM 379 CA THR 45 25.671 26.754 25.035 1.00 0.00 ATOM 380 CB THR 45 26.164 27.145 26.440 1.00 0.00 ATOM 381 CG2 THR 45 27.585 26.650 26.661 1.00 0.00 ATOM 382 OG1 THR 45 26.144 28.571 26.577 1.00 0.00 ATOM 383 O THR 45 23.894 28.357 24.543 1.00 0.00 ATOM 384 C THR 45 24.221 27.245 25.010 1.00 0.00 ATOM 385 N TYR 46 23.351 26.349 25.596 1.00 0.00 ATOM 386 CA TYR 46 21.912 26.515 25.552 1.00 0.00 ATOM 387 CB TYR 46 21.256 25.810 24.338 1.00 0.00 ATOM 388 CG TYR 46 21.234 24.288 24.369 1.00 0.00 ATOM 389 CD1 TYR 46 20.300 23.585 25.145 1.00 0.00 ATOM 390 CD2 TYR 46 22.123 23.549 23.590 1.00 0.00 ATOM 391 CE1 TYR 46 20.255 22.182 25.130 1.00 0.00 ATOM 392 CE2 TYR 46 22.087 22.153 23.568 1.00 0.00 ATOM 393 CZ TYR 46 21.153 21.476 24.335 1.00 0.00 ATOM 394 OH TYR 46 21.116 20.095 24.288 1.00 0.00 ATOM 395 O TYR 46 21.433 25.049 27.400 1.00 0.00 ATOM 396 C TYR 46 21.193 26.125 26.837 1.00 0.00 ATOM 397 N VAL 47 20.280 27.037 27.242 1.00 0.00 ATOM 398 CA VAL 47 19.382 26.791 28.367 1.00 0.00 ATOM 399 CB VAL 47 19.627 27.885 29.425 1.00 0.00 ATOM 400 CG1 VAL 47 18.798 27.616 30.670 1.00 0.00 ATOM 401 CG2 VAL 47 21.094 27.925 29.821 1.00 0.00 ATOM 402 O VAL 47 17.515 27.971 27.411 1.00 0.00 ATOM 403 C VAL 47 18.021 26.880 27.677 1.00 0.00 ATOM 404 N ILE 48 17.464 25.713 27.354 1.00 0.00 ATOM 405 CA ILE 48 16.193 25.618 26.637 1.00 0.00 ATOM 406 CB ILE 48 15.880 24.920 25.569 1.00 0.00 ATOM 407 CG1 ILE 48 16.466 23.518 25.405 1.00 0.00 ATOM 408 CG2 ILE 48 16.302 25.862 24.398 1.00 0.00 ATOM 409 CD1 ILE 48 16.041 22.868 24.144 1.00 0.00 ATOM 410 O ILE 48 14.809 24.748 28.391 1.00 0.00 ATOM 411 C ILE 48 14.983 25.643 27.564 1.00 0.00 ATOM 412 N GLU 49 14.150 26.669 27.424 1.00 0.00 ATOM 413 CA GLU 49 12.959 26.793 28.257 1.00 0.00 ATOM 414 CB GLU 49 12.665 28.272 28.515 1.00 0.00 ATOM 415 CG GLU 49 13.725 28.979 29.345 1.00 0.00 ATOM 416 CD GLU 49 13.423 30.453 29.541 1.00 0.00 ATOM 417 OE1 GLU 49 12.404 30.928 28.996 1.00 0.00 ATOM 418 OE2 GLU 49 14.205 31.132 30.239 1.00 0.00 ATOM 419 O GLU 49 10.870 25.614 28.214 1.00 0.00 ATOM 420 C GLU 49 11.733 26.207 27.566 1.00 0.00 ATOM 421 N ASP 50 11.657 26.374 26.249 1.00 0.00 ATOM 422 CA ASP 50 10.518 25.848 25.471 1.00 0.00 ATOM 423 CB ASP 50 10.627 26.300 24.014 1.00 0.00 ATOM 424 CG ASP 50 10.282 27.764 23.830 1.00 0.00 ATOM 425 OD1 ASP 50 9.781 28.382 24.794 1.00 0.00 ATOM 426 OD2 ASP 50 10.513 28.295 22.724 1.00 0.00 ATOM 427 O ASP 50 11.504 23.692 25.598 1.00 0.00 ATOM 428 C ASP 50 10.466 24.345 25.450 1.00 0.00 ATOM 429 N GLU 51 9.267 23.807 25.256 1.00 0.00 ATOM 430 CA GLU 51 9.046 22.372 25.351 1.00 0.00 ATOM 431 CB GLU 51 7.556 22.051 25.217 1.00 0.00 ATOM 432 CG GLU 51 7.216 20.583 25.418 1.00 0.00 ATOM 433 CD GLU 51 5.728 20.312 25.325 1.00 0.00 ATOM 434 OE1 GLU 51 4.960 21.273 25.106 1.00 0.00 ATOM 435 OE2 GLU 51 5.327 19.138 25.471 1.00 0.00 ATOM 436 O GLU 51 9.774 22.033 23.091 1.00 0.00 ATOM 437 C GLU 51 9.805 21.647 24.256 1.00 0.00 ATOM 438 N ILE 52 10.482 20.580 24.666 1.00 0.00 ATOM 439 CA ILE 52 11.471 19.886 23.865 1.00 0.00 ATOM 440 CB ILE 52 12.893 20.424 24.117 1.00 0.00 ATOM 441 CG1 ILE 52 13.863 19.879 23.068 1.00 0.00 ATOM 442 CG2 ILE 52 13.384 20.002 25.493 1.00 0.00 ATOM 443 CD1 ILE 52 15.180 20.619 23.012 1.00 0.00 ATOM 444 O ILE 52 10.835 18.201 25.443 1.00 0.00 ATOM 445 C ILE 52 11.323 18.451 24.340 1.00 0.00 ATOM 446 N VAL 53 11.745 17.505 23.506 1.00 0.00 ATOM 447 CA VAL 53 11.655 16.093 23.859 1.00 0.00 ATOM 448 CB VAL 53 10.745 15.261 22.989 1.00 0.00 ATOM 449 CG1 VAL 53 11.304 15.215 21.570 1.00 0.00 ATOM 450 CG2 VAL 53 10.596 13.852 23.563 1.00 0.00 ATOM 451 O VAL 53 13.845 15.623 23.054 1.00 0.00 ATOM 452 C VAL 53 13.054 15.539 23.998 1.00 0.00 ATOM 453 N GLU 54 13.392 15.040 25.183 1.00 0.00 ATOM 454 CA GLU 54 14.716 14.463 25.392 1.00 0.00 ATOM 455 CB GLU 54 14.905 14.068 26.891 1.00 0.00 ATOM 456 CG GLU 54 13.913 13.012 27.354 1.00 0.00 ATOM 457 CD GLU 54 14.042 12.658 28.838 1.00 0.00 ATOM 458 OE1 GLU 54 15.097 12.112 29.246 1.00 0.00 ATOM 459 OE2 GLU 54 13.072 12.923 29.598 1.00 0.00 ATOM 460 O GLU 54 14.186 12.395 24.315 1.00 0.00 ATOM 461 C GLU 54 14.962 13.340 24.386 1.00 0.00 ATOM 462 N PRO 55 16.030 13.440 23.579 1.00 0.00 ATOM 463 CA PRO 55 16.340 12.412 22.577 1.00 0.00 ATOM 464 CB PRO 55 17.320 12.669 21.782 1.00 0.00 ATOM 465 CG PRO 55 17.823 14.057 22.052 1.00 0.00 ATOM 466 CD PRO 55 16.565 14.771 22.483 1.00 0.00 ATOM 467 O PRO 55 17.105 10.774 24.163 1.00 0.00 ATOM 468 C PRO 55 16.332 11.028 23.239 1.00 0.00 ATOM 469 N GLY 56 15.460 10.144 22.763 1.00 0.00 ATOM 470 CA GLY 56 15.370 8.799 23.319 1.00 0.00 ATOM 471 O GLY 56 17.004 7.170 23.972 1.00 0.00 ATOM 472 C GLY 56 16.649 7.992 23.128 1.00 0.00 ATOM 473 N GLU 57 17.341 8.229 22.018 1.00 0.00 ATOM 474 CA GLU 57 18.605 7.505 21.719 1.00 0.00 ATOM 475 CB GLU 57 18.508 6.545 20.586 1.00 0.00 ATOM 476 CG GLU 57 17.452 5.442 20.714 1.00 0.00 ATOM 477 CD GLU 57 18.032 4.066 21.111 1.00 0.00 ATOM 478 OE1 GLU 57 17.382 3.053 20.831 1.00 0.00 ATOM 479 OE2 GLU 57 19.129 3.986 21.717 1.00 0.00 ATOM 480 O GLU 57 19.548 9.500 20.779 1.00 0.00 ATOM 481 C GLU 57 19.705 8.547 21.542 1.00 0.00 ATOM 482 N TYR 58 20.816 8.364 22.248 1.00 0.00 ATOM 483 CA TYR 58 21.907 9.282 22.151 1.00 0.00 ATOM 484 CB TYR 58 21.916 10.275 23.352 1.00 0.00 ATOM 485 CG TYR 58 22.301 9.542 24.613 1.00 0.00 ATOM 486 CD1 TYR 58 23.601 9.570 25.073 1.00 0.00 ATOM 487 CD2 TYR 58 21.358 8.822 25.339 1.00 0.00 ATOM 488 CE1 TYR 58 23.982 8.908 26.221 1.00 0.00 ATOM 489 CE2 TYR 58 21.741 8.153 26.496 1.00 0.00 ATOM 490 CZ TYR 58 23.047 8.195 26.931 1.00 0.00 ATOM 491 OH TYR 58 23.433 7.540 28.081 1.00 0.00 ATOM 492 O TYR 58 23.476 7.463 22.415 1.00 0.00 ATOM 493 C TYR 58 23.207 8.521 21.845 1.00 0.00 ATOM 494 N ASP 59 24.043 9.091 20.986 1.00 0.00 ATOM 495 CA ASP 59 25.423 8.648 20.869 1.00 0.00 ATOM 496 CB ASP 59 26.070 9.199 19.625 1.00 0.00 ATOM 497 CG ASP 59 25.543 8.670 18.340 1.00 0.00 ATOM 498 OD1 ASP 59 24.911 7.612 18.310 1.00 0.00 ATOM 499 OD2 ASP 59 25.804 9.371 17.299 1.00 0.00 ATOM 500 O ASP 59 25.664 10.003 22.839 1.00 0.00 ATOM 501 C ASP 59 26.187 9.176 22.098 1.00 0.00 ATOM 502 N PRO 60 27.367 8.610 22.450 1.00 0.00 ATOM 503 CA PRO 60 28.085 9.016 23.645 1.00 0.00 ATOM 504 CB PRO 60 29.379 8.193 23.533 1.00 0.00 ATOM 505 CG PRO 60 29.006 7.006 22.751 1.00 0.00 ATOM 506 CD PRO 60 28.084 7.523 21.732 1.00 0.00 ATOM 507 O PRO 60 28.086 11.274 24.471 1.00 0.00 ATOM 508 C PRO 60 28.374 10.535 23.517 1.00 0.00 ATOM 509 N PRO 61 29.091 11.229 22.562 1.00 0.00 ATOM 510 CA PRO 61 29.275 12.695 22.471 1.00 0.00 ATOM 511 CB PRO 61 30.862 12.524 21.733 1.00 0.00 ATOM 512 CG PRO 61 30.353 11.699 20.643 1.00 0.00 ATOM 513 CD PRO 61 29.290 10.830 21.203 1.00 0.00 ATOM 514 O PRO 61 28.258 14.703 21.639 1.00 0.00 ATOM 515 C PRO 61 28.078 13.565 22.082 1.00 0.00 ATOM 516 N GLU 62 26.863 13.051 22.225 1.00 0.00 ATOM 517 CA GLU 62 25.664 13.799 21.882 1.00 0.00 ATOM 518 CB GLU 62 24.846 12.984 20.876 1.00 0.00 ATOM 519 CG GLU 62 25.590 12.644 19.583 1.00 0.00 ATOM 520 CD GLU 62 24.667 12.084 18.526 1.00 0.00 ATOM 521 OE1 GLU 62 23.419 12.224 18.672 1.00 0.00 ATOM 522 OE2 GLU 62 25.178 11.494 17.558 1.00 0.00 ATOM 523 O GLU 62 24.659 13.741 24.060 1.00 0.00 ATOM 524 C GLU 62 24.859 14.391 23.034 1.00 0.00 ATOM 525 N MET 63 24.397 15.626 22.862 1.00 0.00 ATOM 526 CA MET 63 23.604 16.300 23.904 1.00 0.00 ATOM 527 CB MET 63 23.679 17.816 23.713 1.00 0.00 ATOM 528 CG MET 63 22.892 18.586 24.783 1.00 0.00 ATOM 529 SD MET 63 23.122 20.370 24.644 1.00 0.00 ATOM 530 CE MET 63 24.856 20.557 25.029 1.00 0.00 ATOM 531 O MET 63 21.279 16.573 23.375 1.00 0.00 ATOM 532 C MET 63 22.150 15.843 23.853 1.00 0.00 ATOM 533 N LYS 64 21.888 14.637 24.346 1.00 0.00 ATOM 534 CA LYS 64 20.541 14.106 24.350 1.00 0.00 ATOM 535 CB LYS 64 20.437 12.698 24.004 1.00 0.00 ATOM 536 CG LYS 64 21.076 12.382 22.659 1.00 0.00 ATOM 537 CD LYS 64 20.143 12.649 21.483 1.00 0.00 ATOM 538 CE LYS 64 20.678 11.984 20.225 1.00 0.00 ATOM 539 NZ LYS 64 19.608 11.724 19.210 1.00 0.00 ATOM 540 O LYS 64 19.034 14.257 26.221 1.00 0.00 ATOM 541 C LYS 64 20.199 14.093 25.846 1.00 0.00 ATOM 542 N TYR 65 21.215 14.147 26.868 1.00 0.00 ATOM 543 CA TYR 65 21.014 14.112 28.329 1.00 0.00 ATOM 544 CB TYR 65 19.449 13.933 28.529 1.00 0.00 ATOM 545 CG TYR 65 18.996 12.562 28.058 1.00 0.00 ATOM 546 CD1 TYR 65 18.903 11.485 28.964 1.00 0.00 ATOM 547 CD2 TYR 65 18.607 12.348 26.730 1.00 0.00 ATOM 548 CE1 TYR 65 18.455 10.243 28.544 1.00 0.00 ATOM 549 CE2 TYR 65 18.164 11.093 26.296 1.00 0.00 ATOM 550 CZ TYR 65 18.091 10.047 27.218 1.00 0.00 ATOM 551 OH TYR 65 17.644 8.812 26.792 1.00 0.00 ATOM 552 O TYR 65 22.208 12.187 29.091 1.00 0.00 ATOM 553 C TYR 65 22.021 13.403 29.197 1.00 0.00 ATOM 554 N THR 66 23.159 14.188 30.611 1.00 0.00 ATOM 555 CA THR 66 23.962 13.675 31.693 1.00 0.00 ATOM 556 CB THR 66 25.438 13.990 31.548 1.00 0.00 ATOM 557 CG2 THR 66 25.980 13.381 30.244 1.00 0.00 ATOM 558 OG1 THR 66 25.603 15.412 31.552 1.00 0.00 ATOM 559 O THR 66 24.106 13.918 34.075 1.00 0.00 ATOM 560 C THR 66 23.372 13.821 33.091 1.00 0.00 ATOM 561 N ASN 67 22.045 13.836 33.177 1.00 0.00 ATOM 562 CA ASN 67 21.379 13.967 34.457 1.00 0.00 ATOM 563 CB ASN 67 22.373 14.517 35.439 1.00 0.00 ATOM 564 CG ASN 67 21.806 14.656 36.837 1.00 0.00 ATOM 565 ND2 ASN 67 21.759 13.574 37.569 1.00 0.00 ATOM 566 OD1 ASN 67 21.412 15.752 37.250 1.00 0.00 ATOM 567 O ASN 67 20.177 15.829 33.542 1.00 0.00 ATOM 568 C ASN 67 20.299 15.040 34.479 1.00 0.00 ATOM 569 N VAL 68 19.514 15.069 35.552 1.00 0.00 ATOM 570 CA VAL 68 18.448 16.056 35.683 1.00 0.00 ATOM 571 CB VAL 68 17.087 15.362 35.876 1.00 0.00 ATOM 572 CG1 VAL 68 15.974 16.388 36.001 1.00 0.00 ATOM 573 CG2 VAL 68 16.740 14.547 34.650 1.00 0.00 ATOM 574 O VAL 68 19.085 16.384 37.961 1.00 0.00 ATOM 575 C VAL 68 18.614 16.880 36.938 1.00 0.00 ATOM 576 N LYS 69 18.224 18.149 36.865 1.00 0.00 ATOM 577 CA LYS 69 18.335 19.040 38.013 1.00 0.00 ATOM 578 CB LYS 69 19.523 19.994 37.862 1.00 0.00 ATOM 579 CG LYS 69 20.857 19.296 37.668 1.00 0.00 ATOM 580 CD LYS 69 21.305 18.595 38.941 1.00 0.00 ATOM 581 CE LYS 69 22.657 17.922 38.755 1.00 0.00 ATOM 582 NZ LYS 69 23.072 17.168 39.970 1.00 0.00 ATOM 583 O LYS 69 16.410 20.121 37.089 1.00 0.00 ATOM 584 C LYS 69 17.077 19.888 38.098 1.00 0.00 ATOM 585 N LYS 70 16.741 20.326 39.308 1.00 0.00 ATOM 586 CA LYS 70 15.574 21.172 39.504 1.00 0.00 ATOM 587 CB LYS 70 14.779 20.666 40.709 1.00 0.00 ATOM 588 CG LYS 70 13.477 21.410 40.949 1.00 0.00 ATOM 589 CD LYS 70 12.758 20.882 42.180 1.00 0.00 ATOM 590 CE LYS 70 11.457 21.630 42.425 1.00 0.00 ATOM 591 NZ LYS 70 10.728 21.103 43.610 1.00 0.00 ATOM 592 O LYS 70 16.734 22.898 40.700 1.00 0.00 ATOM 593 C LYS 70 16.012 22.613 39.744 1.00 0.00 ATOM 594 N VAL 71 15.574 23.520 38.876 1.00 0.00 ATOM 595 CA VAL 71 15.929 24.926 39.011 1.00 0.00 ATOM 596 CB VAL 71 16.281 25.527 37.647 1.00 0.00 ATOM 597 CG1 VAL 71 16.801 26.943 37.836 1.00 0.00 ATOM 598 CG2 VAL 71 17.326 24.653 36.970 1.00 0.00 ATOM 599 O VAL 71 13.598 25.559 39.041 1.00 0.00 ATOM 600 C VAL 71 14.465 24.828 38.560 1.00 0.00 ATOM 601 N LYS 72 13.225 23.720 37.172 1.00 0.00 ATOM 602 CA LYS 72 11.902 23.445 36.621 1.00 0.00 ATOM 603 CB LYS 72 11.986 24.218 35.302 1.00 0.00 ATOM 604 CG LYS 72 10.832 25.179 35.071 1.00 0.00 ATOM 605 CD LYS 72 10.983 25.917 33.751 1.00 0.00 ATOM 606 CE LYS 72 9.796 26.830 33.489 1.00 0.00 ATOM 607 NZ LYS 72 9.934 27.563 32.202 1.00 0.00 ATOM 608 O LYS 72 13.690 22.165 37.564 1.00 0.00 ATOM 609 C LYS 72 12.830 22.247 36.687 1.00 0.00 ATOM 610 N ILE 73 12.658 21.313 35.756 1.00 0.00 ATOM 611 CA ILE 73 13.494 20.119 35.721 1.00 0.00 ATOM 612 CB ILE 73 12.618 18.864 35.673 1.00 0.00 ATOM 613 CG1 ILE 73 11.787 18.764 36.955 1.00 0.00 ATOM 614 CG2 ILE 73 13.497 17.631 35.434 1.00 0.00 ATOM 615 CD1 ILE 73 12.567 18.659 38.235 1.00 0.00 ATOM 616 O ILE 73 13.570 20.427 33.343 1.00 0.00 ATOM 617 C ILE 73 14.208 20.225 34.377 1.00 0.00 ATOM 618 N LYS 74 15.530 20.091 34.395 1.00 0.00 ATOM 619 CA LYS 74 16.312 20.173 33.172 1.00 0.00 ATOM 620 CB LYS 74 17.343 21.097 33.194 1.00 0.00 ATOM 621 CG LYS 74 16.976 21.988 32.029 1.00 0.00 ATOM 622 CD LYS 74 17.863 23.236 32.025 1.00 0.00 ATOM 623 CE LYS 74 17.126 24.206 30.939 1.00 0.00 ATOM 624 NZ LYS 74 17.641 25.174 30.252 1.00 0.00 ATOM 625 O LYS 74 17.836 18.533 34.034 1.00 0.00 ATOM 626 C LYS 74 17.258 18.986 33.046 1.00 0.00 ATOM 627 N LYS 75 17.414 18.497 31.820 1.00 0.00 ATOM 628 CA LYS 75 18.347 17.416 31.530 1.00 0.00 ATOM 629 CB LYS 75 17.768 16.477 30.471 1.00 0.00 ATOM 630 CG LYS 75 16.868 15.388 31.031 1.00 0.00 ATOM 631 CD LYS 75 15.513 15.943 31.436 1.00 0.00 ATOM 632 CE LYS 75 14.696 14.912 32.195 1.00 0.00 ATOM 633 NZ LYS 75 14.381 13.724 31.353 1.00 0.00 ATOM 634 O LYS 75 19.515 19.070 30.243 1.00 0.00 ATOM 635 C LYS 75 19.601 18.114 31.015 1.00 0.00 ATOM 636 N VAL 76 20.765 17.634 31.440 1.00 0.00 ATOM 637 CA VAL 76 22.036 18.223 31.008 1.00 0.00 ATOM 638 CB VAL 76 23.037 18.275 32.177 1.00 0.00 ATOM 639 CG1 VAL 76 24.368 18.849 31.716 1.00 0.00 ATOM 640 CG2 VAL 76 22.501 19.149 33.300 1.00 0.00 ATOM 641 O VAL 76 22.799 16.178 30.014 1.00 0.00 ATOM 642 C VAL 76 22.702 17.401 29.910 1.00 0.00 ATOM 643 N TYR 77 23.160 18.073 28.859 1.00 0.00 ATOM 644 CA TYR 77 23.820 17.387 27.745 1.00 0.00 ATOM 645 CB TYR 77 23.367 16.784 26.743 1.00 0.00 ATOM 646 CG TYR 77 23.494 15.302 27.067 1.00 0.00 ATOM 647 CD1 TYR 77 24.634 14.602 26.760 1.00 0.00 ATOM 648 CD2 TYR 77 22.446 14.615 27.664 1.00 0.00 ATOM 649 CE1 TYR 77 24.724 13.241 27.063 1.00 0.00 ATOM 650 CE2 TYR 77 22.513 13.277 27.964 1.00 0.00 ATOM 651 CZ TYR 77 23.667 12.604 27.658 1.00 0.00 ATOM 652 OH TYR 77 23.731 11.268 27.965 1.00 0.00 ATOM 653 O TYR 77 25.142 19.366 27.446 1.00 0.00 ATOM 654 C TYR 77 25.021 18.162 27.215 1.00 0.00 ATOM 655 N PHE 78 25.907 17.472 26.504 1.00 0.00 ATOM 656 CA PHE 78 27.073 18.108 25.957 1.00 0.00 ATOM 657 CB PHE 78 28.384 17.660 26.690 1.00 0.00 ATOM 658 CG PHE 78 29.609 18.485 26.397 1.00 0.00 ATOM 659 CD1 PHE 78 29.759 19.752 26.953 1.00 0.00 ATOM 660 CD2 PHE 78 30.599 18.010 25.540 1.00 0.00 ATOM 661 CE1 PHE 78 30.877 20.538 26.656 1.00 0.00 ATOM 662 CE2 PHE 78 31.720 18.788 25.238 1.00 0.00 ATOM 663 CZ PHE 78 31.858 20.052 25.798 1.00 0.00 ATOM 664 O PHE 78 27.539 16.883 23.936 1.00 0.00 ATOM 665 C PHE 78 27.109 17.926 24.431 1.00 0.00 ATOM 666 N GLU 79 26.662 18.941 23.698 1.00 0.00 ATOM 667 CA GLU 79 26.655 18.875 22.241 1.00 0.00 ATOM 668 CB GLU 79 25.624 18.644 21.489 1.00 0.00 ATOM 669 CG GLU 79 25.616 17.150 21.205 1.00 0.00 ATOM 670 CD GLU 79 24.464 16.732 20.315 1.00 0.00 ATOM 671 OE1 GLU 79 23.354 17.273 20.490 1.00 0.00 ATOM 672 OE2 GLU 79 24.662 15.851 19.450 1.00 0.00 ATOM 673 O GLU 79 27.534 21.105 22.130 1.00 0.00 ATOM 674 C GLU 79 27.660 19.928 21.787 1.00 0.00 ATOM 675 N THR 80 28.657 19.505 21.016 1.00 0.00 ATOM 676 CA THR 80 29.660 20.420 20.530 1.00 0.00 ATOM 677 CB THR 80 30.750 19.695 19.692 1.00 0.00 ATOM 678 CG2 THR 80 31.805 20.673 19.203 1.00 0.00 ATOM 679 OG1 THR 80 31.382 18.679 20.484 1.00 0.00 ATOM 680 O THR 80 28.354 21.184 18.666 1.00 0.00 ATOM 681 C THR 80 29.075 21.493 19.616 1.00 0.00 ATOM 682 N LEU 81 29.386 22.753 19.903 1.00 0.00 ATOM 683 CA LEU 81 28.884 23.859 19.096 1.00 0.00 ATOM 684 CB LEU 81 30.059 25.071 19.591 1.00 0.00 ATOM 685 CG LEU 81 31.190 25.180 18.589 1.00 0.00 ATOM 686 CD1 LEU 81 30.870 26.070 17.376 1.00 0.00 ATOM 687 CD2 LEU 81 32.449 25.752 19.236 1.00 0.00 ATOM 688 O LEU 81 28.224 24.118 16.808 1.00 0.00 ATOM 689 C LEU 81 29.105 23.775 17.593 1.00 0.00 ATOM 690 N ASP 82 30.127 23.271 17.059 1.00 0.00 ATOM 691 CA ASP 82 30.360 23.220 15.622 1.00 0.00 ATOM 692 CB ASP 82 31.740 22.700 15.277 1.00 0.00 ATOM 693 CG ASP 82 32.824 23.700 15.578 1.00 0.00 ATOM 694 OD1 ASP 82 32.514 24.890 15.798 1.00 0.00 ATOM 695 OD2 ASP 82 34.005 23.292 15.582 1.00 0.00 ATOM 696 O ASP 82 28.703 22.759 13.949 1.00 0.00 ATOM 697 C ASP 82 29.285 22.365 14.961 1.00 0.00 ATOM 698 N ASN 83 29.021 21.195 15.535 1.00 0.00 ATOM 699 CA ASN 83 28.007 20.294 14.989 1.00 0.00 ATOM 700 CB ASN 83 28.708 19.262 14.064 1.00 0.00 ATOM 701 CG ASN 83 29.641 18.314 14.787 1.00 0.00 ATOM 702 ND2 ASN 83 30.378 17.581 14.088 1.00 0.00 ATOM 703 OD1 ASN 83 29.635 18.266 16.034 1.00 0.00 ATOM 704 O ASN 83 26.419 18.658 15.736 1.00 0.00 ATOM 705 C ASN 83 27.164 19.590 16.044 1.00 0.00 ATOM 706 N VAL 84 27.278 20.034 17.284 1.00 0.00 ATOM 707 CA VAL 84 26.516 19.431 18.372 1.00 0.00 ATOM 708 CB VAL 84 27.439 18.737 19.400 1.00 0.00 ATOM 709 CG1 VAL 84 28.236 17.630 18.723 1.00 0.00 ATOM 710 CG2 VAL 84 28.357 19.727 20.103 1.00 0.00 ATOM 711 O VAL 84 26.053 21.661 19.097 1.00 0.00 ATOM 712 C VAL 84 25.743 20.471 19.155 1.00 0.00 ATOM 713 N ARG 85 24.734 20.024 19.895 1.00 0.00 ATOM 714 CA ARG 85 23.919 20.935 20.692 1.00 0.00 ATOM 715 CB ARG 85 22.712 21.424 19.820 1.00 0.00 ATOM 716 CG ARG 85 21.866 20.234 19.453 1.00 0.00 ATOM 717 CD ARG 85 20.883 20.690 18.386 1.00 0.00 ATOM 718 NE ARG 85 19.775 19.815 18.310 1.00 0.00 ATOM 719 CZ ARG 85 19.677 18.588 17.877 1.00 0.00 ATOM 720 NH1 ARG 85 20.712 17.927 17.420 1.00 0.00 ATOM 721 NH2 ARG 85 18.471 18.052 17.940 1.00 0.00 ATOM 722 O ARG 85 23.303 19.386 22.456 1.00 0.00 ATOM 723 C ARG 85 23.425 20.554 22.113 1.00 0.00 ATOM 724 N VAL 86 20.898 22.254 27.963 1.00 0.00 ATOM 725 CA VAL 86 20.338 21.925 29.285 1.00 0.00 ATOM 726 CB VAL 86 20.722 22.956 30.292 1.00 0.00 ATOM 727 CG1 VAL 86 19.833 22.820 31.515 1.00 0.00 ATOM 728 CG2 VAL 86 22.197 22.762 30.656 1.00 0.00 ATOM 729 O VAL 86 18.633 23.186 28.161 1.00 0.00 ATOM 730 C VAL 86 18.936 22.131 28.721 1.00 0.00 ATOM 731 N VAL 87 18.082 21.123 28.869 1.00 0.00 ATOM 732 CA VAL 87 16.703 21.209 28.367 1.00 0.00 ATOM 733 CB VAL 87 16.450 20.117 27.294 1.00 0.00 ATOM 734 CG1 VAL 87 14.994 20.136 26.818 1.00 0.00 ATOM 735 CG2 VAL 87 17.405 20.298 26.081 1.00 0.00 ATOM 736 O VAL 87 15.669 20.088 30.217 1.00 0.00 ATOM 737 C VAL 87 15.701 21.095 29.510 1.00 0.00 ATOM 738 N THR 88 14.884 22.128 29.687 1.00 0.00 ATOM 739 CA THR 88 13.884 22.126 30.749 1.00 0.00 ATOM 740 CB THR 88 12.983 23.373 30.730 1.00 0.00 ATOM 741 CG2 THR 88 12.236 23.514 29.411 1.00 0.00 ATOM 742 OG1 THR 88 12.033 23.275 31.800 1.00 0.00 ATOM 743 O THR 88 13.182 23.963 32.101 1.00 0.00 ATOM 744 C THR 88 14.121 23.386 31.576 1.00 0.00 ATOM 745 N ASP 89 16.803 26.234 33.051 1.00 0.00 ATOM 746 CA ASP 89 16.742 27.455 33.868 1.00 0.00 ATOM 747 CB ASP 89 16.857 27.697 35.072 1.00 0.00 ATOM 748 CG ASP 89 15.407 27.744 35.585 1.00 0.00 ATOM 749 OD1 ASP 89 14.457 27.957 34.800 1.00 0.00 ATOM 750 OD2 ASP 89 15.223 27.600 36.815 1.00 0.00 ATOM 751 O ASP 89 18.608 28.124 32.517 1.00 0.00 ATOM 752 C ASP 89 17.964 28.309 33.551 1.00 0.00 ATOM 753 N TYR 90 18.284 29.243 34.440 1.00 0.00 ATOM 754 CA TYR 90 19.433 30.116 34.240 1.00 0.00 ATOM 755 CB TYR 90 19.222 31.327 35.321 1.00 0.00 ATOM 756 CG TYR 90 17.939 32.101 35.384 1.00 0.00 ATOM 757 CD1 TYR 90 17.678 33.146 34.479 1.00 0.00 ATOM 758 CD2 TYR 90 16.995 31.833 36.355 1.00 0.00 ATOM 759 CE1 TYR 90 16.495 33.870 34.537 1.00 0.00 ATOM 760 CE2 TYR 90 15.840 32.592 36.454 1.00 0.00 ATOM 761 CZ TYR 90 15.595 33.619 35.535 1.00 0.00 ATOM 762 OH TYR 90 14.438 34.359 35.627 1.00 0.00 ATOM 763 O TYR 90 21.394 28.925 34.904 1.00 0.00 ATOM 764 C TYR 90 20.585 29.815 35.170 1.00 0.00 ATOM 765 N SER 91 20.665 30.557 36.270 1.00 0.00 ATOM 766 CA SER 91 21.734 30.354 37.242 1.00 0.00 ATOM 767 CB SER 91 21.662 31.342 38.409 1.00 0.00 ATOM 768 OG SER 91 20.537 31.082 39.229 1.00 0.00 ATOM 769 O SER 91 22.942 28.439 38.031 1.00 0.00 ATOM 770 C SER 91 21.842 28.934 37.786 1.00 0.00 ATOM 771 N GLU 92 20.699 28.282 37.974 1.00 0.00 ATOM 772 CA GLU 92 20.685 26.918 38.487 1.00 0.00 ATOM 773 CB GLU 92 19.270 26.408 38.764 1.00 0.00 ATOM 774 CG GLU 92 19.222 25.038 39.422 1.00 0.00 ATOM 775 CD GLU 92 19.798 25.044 40.823 1.00 0.00 ATOM 776 OE1 GLU 92 20.047 26.145 41.358 1.00 0.00 ATOM 777 OE2 GLU 92 20.000 23.949 41.388 1.00 0.00 ATOM 778 O GLU 92 22.224 25.170 37.922 1.00 0.00 ATOM 779 C GLU 92 21.414 26.004 37.513 1.00 0.00 ATOM 780 N PHE 93 21.135 26.174 36.233 1.00 0.00 ATOM 781 CA PHE 93 21.771 25.350 35.211 1.00 0.00 ATOM 782 CB PHE 93 20.917 25.555 33.933 1.00 0.00 ATOM 783 CG PHE 93 19.611 24.762 33.989 1.00 0.00 ATOM 784 CD1 PHE 93 18.427 25.353 34.386 1.00 0.00 ATOM 785 CD2 PHE 93 19.568 23.423 33.648 1.00 0.00 ATOM 786 CE1 PHE 93 17.233 24.665 34.445 1.00 0.00 ATOM 787 CE2 PHE 93 18.386 22.712 33.692 1.00 0.00 ATOM 788 CZ PHE 93 17.213 23.326 34.090 1.00 0.00 ATOM 789 O PHE 93 24.087 24.816 34.874 1.00 0.00 ATOM 790 C PHE 93 23.256 25.692 35.117 1.00 0.00 ATOM 791 N GLN 94 23.531 27.037 35.270 1.00 0.00 ATOM 792 CA GLN 94 24.933 27.448 35.192 1.00 0.00 ATOM 793 CB GLN 94 25.059 28.959 35.396 1.00 0.00 ATOM 794 CG GLN 94 26.484 29.480 35.308 1.00 0.00 ATOM 795 CD GLN 94 26.569 30.982 35.492 1.00 0.00 ATOM 796 OE1 GLN 94 25.565 31.640 35.769 1.00 0.00 ATOM 797 NE2 GLN 94 27.767 31.532 35.338 1.00 0.00 ATOM 798 O GLN 94 26.788 26.210 36.076 1.00 0.00 ATOM 799 C GLN 94 25.685 26.712 36.296 1.00 0.00 ATOM 800 N LYS 95 25.088 26.648 37.482 1.00 0.00 ATOM 801 CA LYS 95 25.716 25.970 38.606 1.00 0.00 ATOM 802 CB LYS 95 24.875 26.149 39.871 1.00 0.00 ATOM 803 CG LYS 95 24.899 27.557 40.439 1.00 0.00 ATOM 804 CD LYS 95 24.042 27.664 41.691 1.00 0.00 ATOM 805 CE LYS 95 24.047 29.078 42.245 1.00 0.00 ATOM 806 NZ LYS 95 23.182 29.206 43.450 1.00 0.00 ATOM 807 O LYS 95 26.878 23.864 38.571 1.00 0.00 ATOM 808 C LYS 95 25.832 24.466 38.327 1.00 0.00 ATOM 809 N ILE 96 24.758 23.870 37.819 1.00 0.00 ATOM 810 CA ILE 96 24.760 22.444 37.514 1.00 0.00 ATOM 811 CB ILE 96 23.347 21.938 37.009 1.00 0.00 ATOM 812 CG1 ILE 96 22.371 21.792 38.184 1.00 0.00 ATOM 813 CG2 ILE 96 23.469 20.580 36.270 1.00 0.00 ATOM 814 CD1 ILE 96 20.923 21.758 37.773 1.00 0.00 ATOM 815 O ILE 96 26.486 21.059 36.605 1.00 0.00 ATOM 816 C ILE 96 25.840 22.103 36.507 1.00 0.00 ATOM 817 N LEU 97 26.041 22.986 35.534 1.00 0.00 ATOM 818 CA LEU 97 27.056 22.764 34.511 1.00 0.00 ATOM 819 CB LEU 97 26.946 23.801 33.392 1.00 0.00 ATOM 820 CG LEU 97 25.728 23.681 32.473 1.00 0.00 ATOM 821 CD1 LEU 97 25.642 24.875 31.534 1.00 0.00 ATOM 822 CD2 LEU 97 25.812 22.418 31.630 1.00 0.00 ATOM 823 O LEU 97 29.340 22.060 34.806 1.00 0.00 ATOM 824 C LEU 97 28.467 22.878 35.106 1.00 0.00 ATOM 825 N LYS 98 28.722 23.898 35.974 1.00 0.00 ATOM 826 CA LYS 98 30.025 24.046 36.619 1.00 0.00 ATOM 827 CB LYS 98 29.976 25.259 37.549 1.00 0.00 ATOM 828 CG LYS 98 31.280 25.537 38.277 1.00 0.00 ATOM 829 CD LYS 98 31.185 26.796 39.122 1.00 0.00 ATOM 830 CE LYS 98 32.479 27.056 39.876 1.00 0.00 ATOM 831 NZ LYS 98 32.399 28.291 40.704 1.00 0.00 ATOM 832 O LYS 98 31.462 22.306 37.434 1.00 0.00 ATOM 833 C LYS 98 30.337 22.808 37.453 1.00 0.00 ATOM 834 N LYS 99 29.341 22.318 38.186 1.00 0.00 ATOM 835 CA LYS 99 29.531 21.157 39.003 1.00 0.00 ATOM 836 CB LYS 99 28.263 20.906 39.823 1.00 0.00 ATOM 837 CG LYS 99 27.989 21.964 40.878 1.00 0.00 ATOM 838 CD LYS 99 26.719 21.655 41.653 1.00 0.00 ATOM 839 CE LYS 99 26.446 22.710 42.712 1.00 0.00 ATOM 840 NZ LYS 99 25.201 22.421 43.478 1.00 0.00 ATOM 841 O LYS 99 30.322 18.919 38.724 1.00 0.00 ATOM 842 C LYS 99 29.841 19.920 38.191 1.00 0.00 ATOM 843 N ARG 100 29.570 19.984 36.891 1.00 0.00 ATOM 844 CA ARG 100 29.829 18.853 36.008 1.00 0.00 ATOM 845 CB ARG 100 28.283 18.632 35.206 1.00 0.00 ATOM 846 CG ARG 100 27.601 17.331 35.006 1.00 0.00 ATOM 847 CD ARG 100 26.689 17.355 33.764 1.00 0.00 ATOM 848 NE ARG 100 27.392 17.746 32.567 1.00 0.00 ATOM 849 CZ ARG 100 27.209 18.866 31.878 1.00 0.00 ATOM 850 NH1 ARG 100 26.352 19.814 32.283 1.00 0.00 ATOM 851 NH2 ARG 100 27.944 19.079 30.842 1.00 0.00 ATOM 852 O ARG 100 31.322 18.247 34.242 1.00 0.00 ATOM 853 C ARG 100 31.077 19.021 35.168 1.00 0.00 ATOM 854 N GLY 101 31.872 20.036 35.488 1.00 0.00 ATOM 855 CA GLY 101 33.103 20.294 34.751 1.00 0.00 ATOM 856 O GLY 101 34.019 21.484 32.880 1.00 0.00 ATOM 857 C GLY 101 33.018 21.233 33.552 1.00 0.00 ATOM 858 N THR 102 31.824 21.751 33.287 1.00 0.00 ATOM 859 CA THR 102 31.626 22.667 32.165 1.00 0.00 ATOM 860 CB THR 102 30.238 22.460 31.534 1.00 0.00 ATOM 861 CG2 THR 102 30.048 23.393 30.348 1.00 0.00 ATOM 862 OG1 THR 102 30.113 21.105 31.081 1.00 0.00 ATOM 863 O THR 102 30.809 24.642 33.242 1.00 0.00 ATOM 864 C THR 102 31.768 24.073 32.717 1.00 0.00 ATOM 865 N LYS 103 32.964 24.638 32.598 1.00 0.00 ATOM 866 CA LYS 103 33.216 25.988 33.091 1.00 0.00 ATOM 867 CB LYS 103 34.687 26.121 33.488 1.00 0.00 ATOM 868 CG LYS 103 35.081 25.291 34.698 1.00 0.00 ATOM 869 CD LYS 103 36.561 25.443 35.013 1.00 0.00 ATOM 870 CE LYS 103 36.965 24.581 36.197 1.00 0.00 ATOM 871 NZ LYS 103 38.413 24.716 36.514 1.00 0.00 ATOM 872 O LYS 103 33.302 27.063 30.960 1.00 0.00 ATOM 873 C LYS 103 32.967 27.137 32.143 1.00 0.00 ATOM 874 N LEU 104 32.377 28.211 32.658 1.00 0.00 ATOM 875 CA LEU 104 32.087 29.382 31.838 1.00 0.00 ATOM 876 CB LEU 104 30.630 29.808 32.035 1.00 0.00 ATOM 877 CG LEU 104 29.568 28.754 31.719 1.00 0.00 ATOM 878 CD1 LEU 104 28.180 29.267 32.073 1.00 0.00 ATOM 879 CD2 LEU 104 29.581 28.403 30.239 1.00 0.00 ATOM 880 O LEU 104 33.670 30.392 33.331 1.00 0.00 ATOM 881 C LEU 104 33.014 30.502 32.294 1.00 0.00 ATOM 882 N GLU 105 33.068 31.581 31.519 1.00 0.00 ATOM 883 CA GLU 105 33.910 32.698 31.861 1.00 0.00 ATOM 884 CB GLU 105 35.051 32.867 30.856 1.00 0.00 ATOM 885 CG GLU 105 35.996 34.012 31.177 1.00 0.00 ATOM 886 CD GLU 105 36.810 33.764 32.431 1.00 0.00 ATOM 887 OE1 GLU 105 36.773 32.626 32.946 1.00 0.00 ATOM 888 OE2 GLU 105 37.483 34.704 32.899 1.00 0.00 ATOM 889 O GLU 105 32.189 34.126 32.730 1.00 0.00 ATOM 890 C GLU 105 33.084 33.978 31.896 1.00 0.00 ATOM 891 N HIS 106 33.382 34.904 30.989 1.00 0.00 ATOM 892 CA HIS 106 32.659 36.153 30.931 1.00 0.00 ATOM 893 CB HIS 106 33.624 37.314 30.686 1.00 0.00 ATOM 894 CG HIS 106 34.621 37.514 31.784 1.00 0.00 ATOM 895 CD2 HIS 106 36.046 37.263 31.952 1.00 0.00 ATOM 896 ND1 HIS 106 34.285 38.055 33.007 1.00 0.00 ATOM 897 CE1 HIS 106 35.383 38.108 33.780 1.00 0.00 ATOM 898 NE2 HIS 106 36.443 37.634 33.153 1.00 0.00 ATOM 899 O HIS 106 30.820 37.181 29.735 1.00 0.00 ATOM 900 C HIS 106 31.534 36.193 29.898 1.00 0.00 ATOM 901 N HIS 107 31.308 35.097 29.164 1.00 0.00 ATOM 902 CA HIS 107 30.147 34.967 28.291 1.00 0.00 ATOM 903 CB HIS 107 30.329 33.241 28.032 1.00 0.00 ATOM 904 CG HIS 107 29.472 32.555 29.042 1.00 0.00 ATOM 905 CD2 HIS 107 28.445 31.678 28.817 1.00 0.00 ATOM 906 ND1 HIS 107 29.672 32.570 30.431 1.00 0.00 ATOM 907 CE1 HIS 107 28.783 31.723 30.987 1.00 0.00 ATOM 908 NE2 HIS 107 28.072 31.154 30.025 1.00 0.00 ATOM 909 O HIS 107 28.069 36.137 28.555 1.00 0.00 ATOM 910 C HIS 107 28.886 35.359 29.051 1.00 0.00 ATOM 911 N HIS 108 28.726 34.818 30.256 1.00 0.00 ATOM 912 CA HIS 108 27.557 35.125 31.074 1.00 0.00 ATOM 913 CB HIS 108 27.541 34.224 32.291 1.00 0.00 ATOM 914 CG HIS 108 26.354 34.428 33.167 1.00 0.00 ATOM 915 CD2 HIS 108 26.195 35.156 34.296 1.00 0.00 ATOM 916 ND1 HIS 108 25.117 33.902 32.868 1.00 0.00 ATOM 917 CE1 HIS 108 24.243 34.302 33.775 1.00 0.00 ATOM 918 NE2 HIS 108 24.872 35.064 34.652 1.00 0.00 ATOM 919 O HIS 108 26.446 37.237 31.312 1.00 0.00 ATOM 920 C HIS 108 27.515 36.627 31.330 1.00 0.00 ATOM 921 N HIS 109 28.680 37.220 31.569 1.00 0.00 ATOM 922 CA HIS 109 28.760 38.654 31.824 1.00 0.00 ATOM 923 CB HIS 109 30.199 39.045 32.163 1.00 0.00 ATOM 924 CG HIS 109 30.374 40.493 32.503 1.00 0.00 ATOM 925 CD2 HIS 109 31.068 41.464 31.868 1.00 0.00 ATOM 926 ND1 HIS 109 29.840 41.073 33.635 1.00 0.00 ATOM 927 CE1 HIS 109 30.208 42.343 33.683 1.00 0.00 ATOM 928 NE2 HIS 109 30.956 42.605 32.625 1.00 0.00 ATOM 929 O HIS 109 28.791 39.243 29.475 1.00 0.00 ATOM 930 C HIS 109 28.253 39.387 30.575 1.00 0.00 ATOM 931 N HIS 110 27.203 40.154 30.805 1.00 0.00 ATOM 932 CA HIS 110 26.444 40.910 29.807 1.00 0.00 ATOM 933 CB HIS 110 27.314 41.941 29.079 1.00 0.00 ATOM 934 CG HIS 110 27.965 42.956 29.989 1.00 0.00 ATOM 935 CD2 HIS 110 29.092 43.688 29.817 1.00 0.00 ATOM 936 ND1 HIS 110 27.429 43.354 31.201 1.00 0.00 ATOM 937 CE1 HIS 110 28.207 44.292 31.730 1.00 0.00 ATOM 938 NE2 HIS 110 29.221 44.509 30.906 1.00 0.00 ATOM 939 O HIS 110 25.174 40.474 27.817 1.00 0.00 ATOM 940 C HIS 110 25.755 40.004 28.790 1.00 0.00 ATOM 941 N HIS 111 25.884 38.695 28.989 1.00 0.00 ATOM 942 CA HIS 111 25.293 37.708 28.071 1.00 0.00 ATOM 943 CB HIS 111 26.391 37.062 27.223 1.00 0.00 ATOM 944 CG HIS 111 27.100 38.019 26.316 1.00 0.00 ATOM 945 CD2 HIS 111 28.356 38.524 26.357 1.00 0.00 ATOM 946 ND1 HIS 111 26.497 38.585 25.213 1.00 0.00 ATOM 947 CE1 HIS 111 27.351 39.396 24.613 1.00 0.00 ATOM 948 NE2 HIS 111 28.486 39.377 25.287 1.00 0.00 ATOM 949 O HIS 111 24.998 35.480 28.933 1.00 0.00 ATOM 950 C HIS 111 24.555 36.640 28.833 1.00 0.00 TER END