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 2 Wed Jul 16 17:44:58 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 24.331 32.969 17.512 1.00 0.00 ATOM 2 CA MET 1 23.440 32.515 16.450 1.00 0.00 ATOM 3 CB MET 1 23.001 31.075 16.708 1.00 0.00 ATOM 4 CG MET 1 22.368 30.385 15.509 1.00 0.00 ATOM 5 SD MET 1 21.751 28.736 15.900 1.00 0.00 ATOM 6 CE MET 1 23.286 27.857 16.174 1.00 0.00 ATOM 7 O MET 1 21.301 33.354 17.139 1.00 0.00 ATOM 8 C MET 1 22.224 33.423 16.326 1.00 0.00 ATOM 9 N ASN 2 22.217 34.259 15.294 1.00 0.00 ATOM 10 CA ASN 2 21.088 35.145 15.032 1.00 0.00 ATOM 11 CB ASN 2 21.405 36.133 13.926 1.00 0.00 ATOM 12 CG ASN 2 22.387 37.199 14.329 1.00 0.00 ATOM 13 ND2 ASN 2 22.908 37.886 13.345 1.00 0.00 ATOM 14 OD1 ASN 2 22.614 37.444 15.519 1.00 0.00 ATOM 15 O ASN 2 19.917 33.213 14.230 1.00 0.00 ATOM 16 C ASN 2 19.834 34.360 14.668 1.00 0.00 ATOM 17 N SER 3 18.673 34.967 14.892 1.00 0.00 ATOM 18 CA SER 3 17.401 34.278 14.712 1.00 0.00 ATOM 19 CB SER 3 16.252 35.219 15.017 1.00 0.00 ATOM 20 OG SER 3 16.178 36.274 14.099 1.00 0.00 ATOM 21 O SER 3 16.573 32.712 13.095 1.00 0.00 ATOM 22 C SER 3 17.261 33.710 13.304 1.00 0.00 ATOM 23 N GLU 4 17.919 34.352 12.345 1.00 0.00 ATOM 24 CA GLU 4 17.934 33.867 10.970 1.00 0.00 ATOM 25 CB GLU 4 18.516 34.769 9.942 1.00 0.00 ATOM 26 CG GLU 4 17.673 35.927 9.494 1.00 0.00 ATOM 27 CD GLU 4 18.417 36.978 8.718 1.00 0.00 ATOM 28 OE1 GLU 4 19.595 36.724 8.327 1.00 0.00 ATOM 29 OE2 GLU 4 17.838 38.067 8.482 1.00 0.00 ATOM 30 O GLU 4 18.126 31.556 10.355 1.00 0.00 ATOM 31 C GLU 4 18.630 32.510 10.945 1.00 0.00 ATOM 32 N VAL 5 19.776 32.417 11.586 1.00 0.00 ATOM 33 CA VAL 5 20.528 31.169 11.638 1.00 0.00 ATOM 34 CB VAL 5 21.941 31.391 12.208 1.00 0.00 ATOM 35 CG1 VAL 5 22.667 30.063 12.363 1.00 0.00 ATOM 36 CG2 VAL 5 22.736 32.329 11.313 1.00 0.00 ATOM 37 O VAL 5 19.878 28.918 12.149 1.00 0.00 ATOM 38 C VAL 5 19.818 30.105 12.466 1.00 0.00 ATOM 39 N ILE 6 19.151 30.529 13.520 1.00 0.00 ATOM 40 CA ILE 6 18.405 29.629 14.393 1.00 0.00 ATOM 41 CB ILE 6 17.902 30.353 15.654 1.00 0.00 ATOM 42 CG1 ILE 6 19.079 30.745 16.551 1.00 0.00 ATOM 43 CG2 ILE 6 16.917 29.477 16.414 1.00 0.00 ATOM 44 CD1 ILE 6 18.699 31.663 17.690 1.00 0.00 ATOM 45 O ILE 6 17.022 27.783 13.732 1.00 0.00 ATOM 46 C ILE 6 17.236 28.993 13.648 1.00 0.00 ATOM 47 N LYS 7 16.482 29.809 12.918 1.00 0.00 ATOM 48 CA LYS 7 15.341 29.309 12.162 1.00 0.00 ATOM 49 CB LYS 7 14.819 30.323 11.204 1.00 0.00 ATOM 50 CG LYS 7 14.148 31.490 11.941 1.00 0.00 ATOM 51 CD LYS 7 13.895 32.621 10.938 1.00 0.00 ATOM 52 CE LYS 7 12.596 33.347 11.182 1.00 0.00 ATOM 53 NZ LYS 7 11.899 33.731 9.925 1.00 0.00 ATOM 54 O LYS 7 15.290 27.085 11.253 1.00 0.00 ATOM 55 C LYS 7 15.842 28.185 11.253 1.00 0.00 ATOM 56 N GLU 8 16.904 28.460 10.504 1.00 0.00 ATOM 57 CA GLU 8 17.445 27.463 9.589 1.00 0.00 ATOM 58 CB GLU 8 18.319 28.152 8.533 1.00 0.00 ATOM 59 CG GLU 8 17.576 29.012 7.568 1.00 0.00 ATOM 60 CD GLU 8 16.339 28.366 6.967 1.00 0.00 ATOM 61 OE1 GLU 8 16.403 27.225 6.458 1.00 0.00 ATOM 62 OE2 GLU 8 15.280 29.012 7.003 1.00 0.00 ATOM 63 O GLU 8 18.048 25.156 9.845 1.00 0.00 ATOM 64 C GLU 8 18.153 26.303 10.279 1.00 0.00 ATOM 65 N PHE 9 18.875 26.604 11.355 1.00 0.00 ATOM 66 CA PHE 9 19.594 25.574 12.092 1.00 0.00 ATOM 67 CB PHE 9 20.368 26.205 13.251 1.00 0.00 ATOM 68 CG PHE 9 21.038 25.204 14.148 1.00 0.00 ATOM 69 CD1 PHE 9 22.246 24.627 13.788 1.00 0.00 ATOM 70 CD2 PHE 9 20.461 24.837 15.355 1.00 0.00 ATOM 71 CE1 PHE 9 22.863 23.705 14.612 1.00 0.00 ATOM 72 CE2 PHE 9 21.075 23.917 16.182 1.00 0.00 ATOM 73 CZ PHE 9 22.278 23.350 15.809 1.00 0.00 ATOM 74 O PHE 9 18.898 23.328 12.523 1.00 0.00 ATOM 75 C PHE 9 18.651 24.526 12.660 1.00 0.00 ATOM 76 N LEU 10 17.566 24.959 13.301 1.00 0.00 ATOM 77 CA LEU 10 16.624 24.011 13.876 1.00 0.00 ATOM 78 CB LEU 10 15.577 24.768 14.706 1.00 0.00 ATOM 79 CG LEU 10 16.108 25.417 15.990 1.00 0.00 ATOM 80 CD1 LEU 10 14.998 26.205 16.674 1.00 0.00 ATOM 81 CD2 LEU 10 16.654 24.340 16.917 1.00 0.00 ATOM 82 O LEU 10 15.649 21.979 13.057 1.00 0.00 ATOM 83 C LEU 10 15.941 23.151 12.821 1.00 0.00 ATOM 84 N GLU 11 15.692 23.740 11.655 1.00 0.00 ATOM 85 CA GLU 11 15.115 23.007 10.536 1.00 0.00 ATOM 86 CB GLU 11 14.508 23.969 9.498 1.00 0.00 ATOM 87 CG GLU 11 14.074 23.265 8.206 1.00 0.00 ATOM 88 CD GLU 11 13.220 24.138 7.289 1.00 0.00 ATOM 89 OE1 GLU 11 12.940 25.302 7.647 1.00 0.00 ATOM 90 OE2 GLU 11 12.812 23.636 6.222 1.00 0.00 ATOM 91 O GLU 11 15.745 20.891 9.595 1.00 0.00 ATOM 92 C GLU 11 16.115 22.000 9.982 1.00 0.00 ATOM 93 N ASP 12 17.384 22.393 9.947 1.00 0.00 ATOM 94 CA ASP 12 18.440 21.525 9.440 1.00 0.00 ATOM 95 CB ASP 12 19.755 22.300 9.318 1.00 0.00 ATOM 96 CG ASP 12 19.797 23.288 8.161 1.00 0.00 ATOM 97 OD1 ASP 12 18.938 23.220 7.315 1.00 0.00 ATOM 98 OD2 ASP 12 20.589 24.199 8.212 1.00 0.00 ATOM 99 O ASP 12 18.788 19.191 9.862 1.00 0.00 ATOM 100 C ASP 12 18.603 20.310 10.343 1.00 0.00 ATOM 101 N ILE 13 18.534 20.530 11.652 1.00 0.00 ATOM 102 CA ILE 13 18.674 19.440 12.610 1.00 0.00 ATOM 103 CB ILE 13 19.370 19.954 13.883 1.00 0.00 ATOM 104 CG1 ILE 13 18.484 20.975 14.601 1.00 0.00 ATOM 105 CG2 ILE 13 20.722 20.564 13.542 1.00 0.00 ATOM 106 CD1 ILE 13 19.004 21.389 15.958 1.00 0.00 ATOM 107 O ILE 13 17.309 17.645 13.422 1.00 0.00 ATOM 108 C ILE 13 17.345 18.769 12.918 1.00 0.00 ATOM 109 N GLY 14 16.249 19.458 12.614 1.00 0.00 ATOM 110 CA GLY 14 14.920 18.911 12.863 1.00 0.00 ATOM 111 O GLY 14 13.936 17.932 14.820 1.00 0.00 ATOM 112 C GLY 14 14.551 18.886 14.340 1.00 0.00 ATOM 113 N GLU 15 14.931 19.937 15.058 1.00 0.00 ATOM 114 CA GLU 15 14.719 19.998 16.500 1.00 0.00 ATOM 115 CB GLU 15 16.035 19.774 17.247 1.00 0.00 ATOM 116 CG GLU 15 16.702 18.436 16.958 1.00 0.00 ATOM 117 CD GLU 15 15.917 17.296 17.542 1.00 0.00 ATOM 118 OE1 GLU 15 15.060 17.545 18.357 1.00 0.00 ATOM 119 OE2 GLU 15 16.093 16.187 17.096 1.00 0.00 ATOM 120 O GLU 15 14.235 22.326 16.182 1.00 0.00 ATOM 121 C GLU 15 14.150 21.346 16.922 1.00 0.00 ATOM 122 N ASP 16 13.570 21.390 18.117 1.00 0.00 ATOM 123 CA ASP 16 13.118 22.646 18.703 1.00 0.00 ATOM 124 CB ASP 16 11.876 22.402 19.565 1.00 0.00 ATOM 125 CG ASP 16 10.668 21.884 18.794 1.00 0.00 ATOM 126 OD1 ASP 16 10.282 22.516 17.839 1.00 0.00 ATOM 127 OD2 ASP 16 10.240 20.789 19.068 1.00 0.00 ATOM 128 O ASP 16 14.264 24.531 19.645 1.00 0.00 ATOM 129 C ASP 16 14.222 23.307 19.523 1.00 0.00 ATOM 130 N TYR 17 15.112 22.494 20.084 1.00 0.00 ATOM 131 CA TYR 17 16.208 23.018 20.885 1.00 0.00 ATOM 132 CB TYR 17 16.492 22.099 22.076 1.00 0.00 ATOM 133 CG TYR 17 15.484 22.221 23.198 1.00 0.00 ATOM 134 CD1 TYR 17 14.366 21.401 23.245 1.00 0.00 ATOM 135 CD2 TYR 17 15.656 23.156 24.208 1.00 0.00 ATOM 136 CE1 TYR 17 13.444 21.509 24.268 1.00 0.00 ATOM 137 CE2 TYR 17 14.739 23.274 25.234 1.00 0.00 ATOM 138 CZ TYR 17 13.634 22.448 25.262 1.00 0.00 ATOM 139 OH TYR 17 12.719 22.560 26.283 1.00 0.00 ATOM 140 O TYR 17 17.629 22.416 19.057 1.00 0.00 ATOM 141 C TYR 17 17.421 23.193 19.991 1.00 0.00 ATOM 142 N ILE 18 18.254 24.172 20.355 1.00 0.00 ATOM 143 CA ILE 18 19.556 24.325 19.700 1.00 0.00 ATOM 144 CB ILE 18 20.020 25.792 19.696 1.00 0.00 ATOM 145 CG1 ILE 18 19.096 26.643 18.821 1.00 0.00 ATOM 146 CG2 ILE 18 21.459 25.892 19.211 1.00 0.00 ATOM 147 CD1 ILE 18 19.312 28.132 18.972 1.00 0.00 ATOM 148 O ILE 18 20.842 23.739 21.637 1.00 0.00 ATOM 149 C ILE 18 20.552 23.470 20.471 1.00 0.00 ATOM 150 N GLU 19 21.074 22.441 19.815 1.00 0.00 ATOM 151 CA GLU 19 21.980 21.498 20.461 1.00 0.00 ATOM 152 CB GLU 19 21.859 20.108 19.833 1.00 0.00 ATOM 153 CG GLU 19 22.752 19.051 20.468 1.00 0.00 ATOM 154 CD GLU 19 22.515 17.697 19.859 1.00 0.00 ATOM 155 OE1 GLU 19 21.685 17.597 18.988 1.00 0.00 ATOM 156 OE2 GLU 19 23.240 16.787 20.183 1.00 0.00 ATOM 157 O GLU 19 24.033 21.948 19.305 1.00 0.00 ATOM 158 C GLU 19 23.418 21.990 20.372 1.00 0.00 ATOM 159 N LEU 20 23.950 22.458 21.496 1.00 0.00 ATOM 160 CA LEU 20 25.352 22.851 21.575 1.00 0.00 ATOM 161 CB LEU 20 25.497 24.125 22.415 1.00 0.00 ATOM 162 CG LEU 20 24.747 25.352 21.878 1.00 0.00 ATOM 163 CD1 LEU 20 24.892 26.518 22.846 1.00 0.00 ATOM 164 CD2 LEU 20 25.290 25.719 20.505 1.00 0.00 ATOM 165 O LEU 20 27.247 21.381 21.640 1.00 0.00 ATOM 166 C LEU 20 26.199 21.738 22.181 1.00 0.00 ATOM 167 N GLU 21 25.745 21.190 23.304 1.00 0.00 ATOM 168 CA GLU 21 26.472 20.120 23.964 1.00 0.00 ATOM 169 CB GLU 21 27.189 20.507 25.260 1.00 0.00 ATOM 170 CG GLU 21 28.311 21.520 25.078 1.00 0.00 ATOM 171 CD GLU 21 29.475 20.920 24.340 1.00 0.00 ATOM 172 OE1 GLU 21 29.490 19.726 24.164 1.00 0.00 ATOM 173 OE2 GLU 21 30.293 21.666 23.855 1.00 0.00 ATOM 174 O GLU 21 24.237 19.268 24.164 1.00 0.00 ATOM 175 C GLU 21 25.442 19.051 24.310 1.00 0.00 ATOM 176 N ASN 22 25.914 17.897 24.771 1.00 0.00 ATOM 177 CA ASN 22 25.020 16.806 25.136 1.00 0.00 ATOM 178 CB ASN 22 25.799 15.612 25.656 1.00 0.00 ATOM 179 CG ASN 22 26.544 14.863 24.587 1.00 0.00 ATOM 180 ND2 ASN 22 27.474 14.047 25.013 1.00 0.00 ATOM 181 OD1 ASN 22 26.232 14.966 23.395 1.00 0.00 ATOM 182 O ASN 22 22.905 16.680 26.261 1.00 0.00 ATOM 183 C ASN 22 24.005 17.232 26.190 1.00 0.00 ATOM 184 N GLU 23 24.372 18.213 27.007 1.00 0.00 ATOM 185 CA GLU 23 23.480 18.700 28.049 1.00 0.00 ATOM 186 CB GLU 23 24.235 18.656 29.378 1.00 0.00 ATOM 187 CG GLU 23 24.801 17.288 29.736 1.00 0.00 ATOM 188 CD GLU 23 23.706 16.319 30.085 1.00 0.00 ATOM 189 OE1 GLU 23 22.574 16.730 30.152 1.00 0.00 ATOM 190 OE2 GLU 23 23.986 15.147 30.173 1.00 0.00 ATOM 191 O GLU 23 22.205 20.637 28.658 1.00 0.00 ATOM 192 C GLU 23 23.062 20.158 27.913 1.00 0.00 ATOM 193 N ILE 24 23.665 20.863 26.962 1.00 0.00 ATOM 194 CA ILE 24 23.341 22.267 26.741 1.00 0.00 ATOM 195 CB ILE 24 24.582 23.140 26.480 1.00 0.00 ATOM 196 CG1 ILE 24 25.489 23.159 27.713 1.00 0.00 ATOM 197 CG2 ILE 24 24.167 24.552 26.098 1.00 0.00 ATOM 198 CD1 ILE 24 26.801 23.878 27.493 1.00 0.00 ATOM 199 O ILE 24 22.834 22.158 24.397 1.00 0.00 ATOM 200 C ILE 24 22.409 22.352 25.538 1.00 0.00 ATOM 201 N HIS 25 21.139 22.640 25.799 1.00 0.00 ATOM 202 CA HIS 25 20.143 22.738 24.739 1.00 0.00 ATOM 203 CB HIS 25 19.211 21.522 24.758 1.00 0.00 ATOM 204 CG HIS 25 19.930 20.212 24.654 1.00 0.00 ATOM 205 CD2 HIS 25 20.353 19.348 25.606 1.00 0.00 ATOM 206 ND1 HIS 25 20.290 19.656 23.444 1.00 0.00 ATOM 207 CE1 HIS 25 20.906 18.506 23.657 1.00 0.00 ATOM 208 NE2 HIS 25 20.956 18.296 24.959 1.00 0.00 ATOM 209 O HIS 25 18.447 24.125 25.718 1.00 0.00 ATOM 210 C HIS 25 19.328 24.019 24.865 1.00 0.00 ATOM 211 N LEU 26 19.628 24.990 24.010 1.00 0.00 ATOM 212 CA LEU 26 19.070 26.331 24.146 1.00 0.00 ATOM 213 CB LEU 26 20.146 27.386 23.858 1.00 0.00 ATOM 214 CG LEU 26 21.403 27.291 24.732 1.00 0.00 ATOM 215 CD1 LEU 26 22.384 28.395 24.359 1.00 0.00 ATOM 216 CD2 LEU 26 21.012 27.392 26.199 1.00 0.00 ATOM 217 O LEU 26 17.897 26.289 22.054 1.00 0.00 ATOM 218 C LEU 26 17.845 26.532 23.261 1.00 0.00 ATOM 219 N LYS 27 16.745 26.976 23.859 1.00 0.00 ATOM 220 CA LYS 27 15.519 27.206 23.109 1.00 0.00 ATOM 221 CB LYS 27 14.306 26.928 23.999 1.00 0.00 ATOM 222 CG LYS 27 13.034 26.582 23.236 1.00 0.00 ATOM 223 CD LYS 27 11.895 26.240 24.185 1.00 0.00 ATOM 224 CE LYS 27 10.660 25.774 23.427 1.00 0.00 ATOM 225 NZ LYS 27 9.487 25.602 24.324 1.00 0.00 ATOM 226 O LYS 27 15.745 29.588 23.274 1.00 0.00 ATOM 227 C LYS 27 15.445 28.626 22.566 1.00 0.00 ATOM 228 N PRO 28 15.061 28.751 21.301 1.00 0.00 ATOM 229 CA PRO 28 14.899 30.058 20.673 1.00 0.00 ATOM 230 CB PRO 28 14.645 29.736 19.198 1.00 0.00 ATOM 231 CG PRO 28 14.054 28.368 19.213 1.00 0.00 ATOM 232 CD PRO 28 14.742 27.648 20.342 1.00 0.00 ATOM 233 O PRO 28 13.735 32.091 21.185 1.00 0.00 ATOM 234 C PRO 28 13.764 30.867 21.320 1.00 0.00 ATOM 235 N GLU 29 12.881 30.159 22.011 1.00 0.00 ATOM 236 CA GLU 29 11.752 30.812 22.669 1.00 0.00 ATOM 237 CB GLU 29 10.757 29.809 23.202 1.00 0.00 ATOM 238 CG GLU 29 9.427 30.407 23.658 1.00 0.00 ATOM 239 CD GLU 29 8.741 31.253 22.591 1.00 0.00 ATOM 240 OE1 GLU 29 8.889 30.956 21.383 1.00 0.00 ATOM 241 OE2 GLU 29 8.049 32.223 22.970 1.00 0.00 ATOM 242 O GLU 29 11.801 32.790 24.021 1.00 0.00 ATOM 243 C GLU 29 12.216 31.641 23.857 1.00 0.00 ATOM 244 N VAL 30 13.078 31.061 24.685 1.00 0.00 ATOM 245 CA VAL 30 13.592 31.764 25.855 1.00 0.00 ATOM 246 CB VAL 30 14.169 30.770 26.880 1.00 0.00 ATOM 247 CG1 VAL 30 13.112 29.755 27.289 1.00 0.00 ATOM 248 CG2 VAL 30 15.391 30.066 26.313 1.00 0.00 ATOM 249 O VAL 30 14.729 33.830 26.295 1.00 0.00 ATOM 250 C VAL 30 14.539 32.906 25.503 1.00 0.00 ATOM 251 N PHE 31 15.134 32.841 24.316 1.00 0.00 ATOM 252 CA PHE 31 16.054 33.878 23.878 1.00 0.00 ATOM 253 CB PHE 31 16.619 33.577 22.490 1.00 0.00 ATOM 254 CG PHE 31 17.718 32.551 22.491 1.00 0.00 ATOM 255 CD1 PHE 31 18.190 32.023 23.682 1.00 0.00 ATOM 256 CD2 PHE 31 18.281 32.115 21.300 1.00 0.00 ATOM 257 CE1 PHE 31 19.200 31.079 23.685 1.00 0.00 ATOM 258 CE2 PHE 31 19.289 31.171 21.300 1.00 0.00 ATOM 259 CZ PHE 31 19.750 30.652 22.494 1.00 0.00 ATOM 260 O PHE 31 16.028 36.270 24.020 1.00 0.00 ATOM 261 C PHE 31 15.381 35.241 23.822 1.00 0.00 ATOM 262 N TYR 32 14.079 35.249 23.554 1.00 0.00 ATOM 263 CA TYR 32 13.330 36.498 23.479 1.00 0.00 ATOM 264 CB TYR 32 11.834 36.232 23.298 1.00 0.00 ATOM 265 CG TYR 32 10.979 37.478 23.344 1.00 0.00 ATOM 266 CD1 TYR 32 10.895 38.327 22.251 1.00 0.00 ATOM 267 CD2 TYR 32 10.255 37.801 24.483 1.00 0.00 ATOM 268 CE1 TYR 32 10.115 39.467 22.287 1.00 0.00 ATOM 269 CE2 TYR 32 9.473 38.938 24.533 1.00 0.00 ATOM 270 CZ TYR 32 9.405 39.769 23.433 1.00 0.00 ATOM 271 OH TYR 32 8.626 40.902 23.475 1.00 0.00 ATOM 272 O TYR 32 13.974 38.508 24.620 1.00 0.00 ATOM 273 C TYR 32 13.562 37.353 24.719 1.00 0.00 ATOM 274 N GLU 33 13.296 36.776 25.886 1.00 0.00 ATOM 275 CA GLU 33 13.312 37.530 27.134 1.00 0.00 ATOM 276 CB GLU 33 12.579 36.761 28.234 1.00 0.00 ATOM 277 CG GLU 33 11.075 36.653 28.027 1.00 0.00 ATOM 278 CD GLU 33 10.411 35.975 29.195 1.00 0.00 ATOM 279 OE1 GLU 33 11.100 35.612 30.117 1.00 0.00 ATOM 280 OE2 GLU 33 9.203 35.919 29.216 1.00 0.00 ATOM 281 O GLU 33 15.040 38.946 28.010 1.00 0.00 ATOM 282 C GLU 33 14.740 37.836 27.572 1.00 0.00 ATOM 283 N VAL 34 15.617 36.844 27.451 1.00 0.00 ATOM 284 CA VAL 34 16.981 36.963 27.949 1.00 0.00 ATOM 285 CB VAL 34 17.719 35.612 27.903 1.00 0.00 ATOM 286 CG1 VAL 34 18.144 35.285 26.479 1.00 0.00 ATOM 287 CG2 VAL 34 18.928 35.633 28.825 1.00 0.00 ATOM 288 O VAL 34 18.725 38.585 27.658 1.00 0.00 ATOM 289 C VAL 34 17.765 38.000 27.156 1.00 0.00 ATOM 290 N TRP 35 17.351 38.224 25.913 1.00 0.00 ATOM 291 CA TRP 35 17.889 39.316 25.112 1.00 0.00 ATOM 292 CB TRP 35 18.078 38.792 23.640 1.00 0.00 ATOM 293 CG TRP 35 18.851 39.758 22.794 1.00 0.00 ATOM 294 CD1 TRP 35 18.344 40.738 21.991 1.00 0.00 ATOM 295 CD2 TRP 35 20.274 39.898 22.754 1.00 0.00 ATOM 296 CE2 TRP 35 20.563 40.996 21.913 1.00 0.00 ATOM 297 CE3 TRP 35 21.336 39.210 23.356 1.00 0.00 ATOM 298 NE1 TRP 35 19.369 41.489 21.456 1.00 0.00 ATOM 299 CZ2 TRP 35 21.873 41.419 21.655 1.00 0.00 ATOM 300 CZ3 TRP 35 22.642 39.630 23.101 1.00 0.00 ATOM 301 CH2 TRP 35 22.895 40.729 22.257 1.00 0.00 ATOM 302 O TRP 35 17.666 41.700 25.257 1.00 0.00 ATOM 303 C TRP 35 17.109 40.606 25.330 1.00 0.00 ATOM 304 N LYS 36 15.815 40.469 25.599 1.00 0.00 ATOM 305 CA LYS 36 14.938 41.623 25.755 1.00 0.00 ATOM 306 CB LYS 36 13.481 41.176 25.881 1.00 0.00 ATOM 307 CG LYS 36 12.484 42.319 26.033 1.00 0.00 ATOM 308 CD LYS 36 11.051 41.806 26.031 1.00 0.00 ATOM 309 CE LYS 36 10.052 42.951 26.089 1.00 0.00 ATOM 310 NZ LYS 36 8.647 42.470 25.999 1.00 0.00 ATOM 311 O LYS 36 15.452 43.682 26.877 1.00 0.00 ATOM 312 C LYS 36 15.336 42.460 26.966 1.00 0.00 ATOM 313 N TYR 37 15.546 41.793 28.096 1.00 0.00 ATOM 314 CA TYR 37 15.731 42.481 29.368 1.00 0.00 ATOM 315 CB TYR 37 15.130 41.661 30.513 1.00 0.00 ATOM 316 CG TYR 37 13.630 41.492 30.423 1.00 0.00 ATOM 317 CD1 TYR 37 13.071 40.291 30.017 1.00 0.00 ATOM 318 CD2 TYR 37 12.777 42.536 30.751 1.00 0.00 ATOM 319 CE1 TYR 37 11.700 40.131 29.933 1.00 0.00 ATOM 320 CE2 TYR 37 11.405 42.389 30.672 1.00 0.00 ATOM 321 CZ TYR 37 10.871 41.184 30.264 1.00 0.00 ATOM 322 OH TYR 37 9.506 41.031 30.185 1.00 0.00 ATOM 323 O TYR 37 17.550 43.733 30.307 1.00 0.00 ATOM 324 C TYR 37 17.205 42.772 29.619 1.00 0.00 ATOM 325 N VAL 38 18.089 41.925 29.055 1.00 0.00 ATOM 326 CA VAL 38 19.519 42.209 29.033 1.00 0.00 ATOM 327 CB VAL 38 20.335 40.967 28.628 1.00 0.00 ATOM 328 CG1 VAL 38 21.787 41.345 28.370 1.00 0.00 ATOM 329 CG2 VAL 38 20.249 39.897 29.704 1.00 0.00 ATOM 330 O VAL 38 20.813 44.096 28.312 1.00 0.00 ATOM 331 C VAL 38 19.855 43.356 28.089 1.00 0.00 ATOM 332 N GLY 39 19.060 43.500 27.035 1.00 0.00 ATOM 333 CA GLY 39 19.182 44.640 26.134 1.00 0.00 ATOM 334 O GLY 39 19.775 46.922 26.579 1.00 0.00 ATOM 335 C GLY 39 19.058 45.965 26.874 1.00 0.00 ATOM 336 N GLU 40 18.144 46.017 27.838 1.00 0.00 ATOM 337 CA GLU 40 18.023 47.172 28.717 1.00 0.00 ATOM 338 CB GLU 40 16.927 46.931 29.748 1.00 0.00 ATOM 339 CG GLU 40 16.604 48.132 30.606 1.00 0.00 ATOM 340 CD GLU 40 15.954 49.244 29.798 1.00 0.00 ATOM 341 OE1 GLU 40 14.833 49.031 29.270 1.00 0.00 ATOM 342 OE2 GLU 40 16.553 50.330 29.684 1.00 0.00 ATOM 343 O GLU 40 19.774 46.478 30.209 1.00 0.00 ATOM 344 C GLU 40 19.312 47.379 29.514 1.00 0.00 ATOM 345 N PRO 41 19.912 48.539 29.346 1.00 0.00 ATOM 346 CA PRO 41 21.161 48.844 30.055 1.00 0.00 ATOM 347 CB PRO 41 21.459 50.286 29.624 1.00 0.00 ATOM 348 CG PRO 41 20.113 50.841 29.291 1.00 0.00 ATOM 349 CD PRO 41 19.458 49.701 28.562 1.00 0.00 ATOM 350 O PRO 41 22.055 48.652 32.264 1.00 0.00 ATOM 351 C PRO 41 21.054 48.854 31.578 1.00 0.00 ATOM 352 N GLU 42 19.871 49.110 32.087 1.00 0.00 ATOM 353 CA GLU 42 19.663 49.138 33.538 1.00 0.00 ATOM 354 CB GLU 42 18.379 49.825 33.893 1.00 0.00 ATOM 355 CG GLU 42 18.094 51.112 33.106 1.00 0.00 ATOM 356 CD GLU 42 19.253 52.101 33.098 1.00 0.00 ATOM 357 OE1 GLU 42 20.056 52.106 34.055 1.00 0.00 ATOM 358 OE2 GLU 42 19.348 52.892 32.134 1.00 0.00 ATOM 359 O GLU 42 20.169 47.597 35.306 1.00 0.00 ATOM 360 C GLU 42 19.809 47.744 34.137 1.00 0.00 ATOM 361 N LEU 43 19.531 46.721 33.336 1.00 0.00 ATOM 362 CA LEU 43 19.638 45.345 33.802 1.00 0.00 ATOM 363 CB LEU 43 18.309 44.632 33.529 1.00 0.00 ATOM 364 CG LEU 43 18.265 43.153 33.937 1.00 0.00 ATOM 365 CD1 LEU 43 18.436 43.022 35.444 1.00 0.00 ATOM 366 CD2 LEU 43 16.947 42.540 33.489 1.00 0.00 ATOM 367 O LEU 43 21.048 44.816 31.938 1.00 0.00 ATOM 368 C LEU 43 20.871 44.732 33.154 1.00 0.00 ATOM 369 N LYS 44 21.723 44.115 33.965 1.00 0.00 ATOM 370 CA LYS 44 22.936 43.489 33.453 1.00 0.00 ATOM 371 CB LYS 44 24.013 43.317 34.530 1.00 0.00 ATOM 372 CG LYS 44 24.130 44.461 35.521 1.00 0.00 ATOM 373 CD LYS 44 23.179 44.255 36.691 1.00 0.00 ATOM 374 CE LYS 44 23.528 45.152 37.867 1.00 0.00 ATOM 375 NZ LYS 44 22.682 44.858 39.056 1.00 0.00 ATOM 376 O LYS 44 23.208 41.675 31.854 1.00 0.00 ATOM 377 C LYS 44 22.682 42.079 32.891 1.00 0.00 ATOM 378 N THR 45 21.860 41.309 33.596 1.00 0.00 ATOM 379 CA THR 45 21.689 39.898 33.346 1.00 0.00 ATOM 380 CB THR 45 22.483 38.999 34.318 1.00 0.00 ATOM 381 CG2 THR 45 23.986 39.165 34.126 1.00 0.00 ATOM 382 OG1 THR 45 22.131 39.330 35.666 1.00 0.00 ATOM 383 O THR 45 19.475 40.410 34.117 1.00 0.00 ATOM 384 C THR 45 20.205 39.602 33.542 1.00 0.00 ATOM 385 N TYR 46 19.762 38.442 33.067 1.00 0.00 ATOM 386 CA TYR 46 18.366 38.056 33.201 1.00 0.00 ATOM 387 CB TYR 46 17.588 38.527 31.971 1.00 0.00 ATOM 388 CG TYR 46 16.119 38.168 32.000 1.00 0.00 ATOM 389 CD1 TYR 46 15.227 38.880 32.787 1.00 0.00 ATOM 390 CD2 TYR 46 15.628 37.120 31.236 1.00 0.00 ATOM 391 CE1 TYR 46 13.884 38.558 32.817 1.00 0.00 ATOM 392 CE2 TYR 46 14.289 36.788 31.257 1.00 0.00 ATOM 393 CZ TYR 46 13.418 37.510 32.049 1.00 0.00 ATOM 394 OH TYR 46 12.081 37.184 32.074 1.00 0.00 ATOM 395 O TYR 46 18.741 35.790 32.505 1.00 0.00 ATOM 396 C TYR 46 18.280 36.542 33.365 1.00 0.00 ATOM 397 N VAL 47 17.691 36.097 34.470 1.00 0.00 ATOM 398 CA VAL 47 17.552 34.671 34.729 1.00 0.00 ATOM 399 CB VAL 47 17.638 34.359 36.235 1.00 0.00 ATOM 400 CG1 VAL 47 17.410 32.876 36.485 1.00 0.00 ATOM 401 CG2 VAL 47 18.984 34.792 36.792 1.00 0.00 ATOM 402 O VAL 47 15.165 34.702 34.490 1.00 0.00 ATOM 403 C VAL 47 16.228 34.164 34.172 1.00 0.00 ATOM 404 N ILE 48 16.291 33.129 33.342 1.00 0.00 ATOM 405 CA ILE 48 15.085 32.560 32.752 1.00 0.00 ATOM 406 CB ILE 48 14.924 32.990 31.282 1.00 0.00 ATOM 407 CG1 ILE 48 13.635 32.409 30.694 1.00 0.00 ATOM 408 CG2 ILE 48 16.130 32.556 30.466 1.00 0.00 ATOM 409 CD1 ILE 48 13.237 33.023 29.372 1.00 0.00 ATOM 410 O ILE 48 16.200 30.443 32.564 1.00 0.00 ATOM 411 C ILE 48 15.154 31.039 32.820 1.00 0.00 ATOM 412 N GLU 49 14.033 30.416 33.168 1.00 0.00 ATOM 413 CA GLU 49 14.001 28.979 33.414 1.00 0.00 ATOM 414 CB GLU 49 13.158 28.666 34.652 1.00 0.00 ATOM 415 CG GLU 49 13.099 27.189 35.017 1.00 0.00 ATOM 416 CD GLU 49 12.290 26.966 36.263 1.00 0.00 ATOM 417 OE1 GLU 49 12.635 27.517 37.281 1.00 0.00 ATOM 418 OE2 GLU 49 11.261 26.336 36.175 1.00 0.00 ATOM 419 O GLU 49 12.386 28.542 31.693 1.00 0.00 ATOM 420 C GLU 49 13.448 28.208 32.219 1.00 0.00 ATOM 421 N ASP 50 14.170 27.176 31.794 1.00 0.00 ATOM 422 CA ASP 50 13.736 26.368 30.664 1.00 0.00 ATOM 423 CB ASP 50 14.540 26.659 29.393 1.00 0.00 ATOM 424 CG ASP 50 14.083 25.880 28.167 1.00 0.00 ATOM 425 OD1 ASP 50 13.343 24.938 28.329 1.00 0.00 ATOM 426 OD2 ASP 50 14.345 26.324 27.075 1.00 0.00 ATOM 427 O ASP 50 14.957 24.364 31.156 1.00 0.00 ATOM 428 C ASP 50 13.853 24.900 31.048 1.00 0.00 ATOM 429 N GLU 51 12.712 24.247 31.253 1.00 0.00 ATOM 430 CA GLU 51 12.705 22.836 31.622 1.00 0.00 ATOM 431 CB GLU 51 11.296 22.425 32.054 1.00 0.00 ATOM 432 CG GLU 51 11.190 20.999 32.576 1.00 0.00 ATOM 433 CD GLU 51 9.784 20.676 33.001 1.00 0.00 ATOM 434 OE1 GLU 51 8.949 21.546 32.936 1.00 0.00 ATOM 435 OE2 GLU 51 9.519 19.531 33.282 1.00 0.00 ATOM 436 O GLU 51 12.556 21.881 29.427 1.00 0.00 ATOM 437 C GLU 51 13.184 21.946 30.483 1.00 0.00 ATOM 438 N ILE 52 14.302 21.262 30.703 1.00 0.00 ATOM 439 CA ILE 52 14.833 20.326 29.721 1.00 0.00 ATOM 440 CB ILE 52 16.216 20.751 29.246 1.00 0.00 ATOM 441 CG1 ILE 52 16.191 22.156 28.615 1.00 0.00 ATOM 442 CG2 ILE 52 16.716 19.681 28.255 1.00 0.00 ATOM 443 CD1 ILE 52 17.533 22.679 28.188 1.00 0.00 ATOM 444 O ILE 52 15.944 18.832 31.234 1.00 0.00 ATOM 445 C ILE 52 15.006 18.999 30.453 1.00 0.00 ATOM 446 N VAL 53 14.102 18.059 30.201 1.00 0.00 ATOM 447 CA VAL 53 14.172 16.756 30.843 1.00 0.00 ATOM 448 CB VAL 53 13.309 16.701 32.118 1.00 0.00 ATOM 449 CG1 VAL 53 11.848 16.960 31.782 1.00 0.00 ATOM 450 CG2 VAL 53 13.464 15.356 32.809 1.00 0.00 ATOM 451 O VAL 53 12.798 15.849 29.096 1.00 0.00 ATOM 452 C VAL 53 13.750 15.670 29.858 1.00 0.00 ATOM 453 N GLU 54 14.457 14.544 29.875 1.00 0.00 ATOM 454 CA GLU 54 14.140 13.441 28.980 1.00 0.00 ATOM 455 CB GLU 54 15.336 13.155 28.046 1.00 0.00 ATOM 456 CG GLU 54 15.642 14.308 27.112 1.00 0.00 ATOM 457 CD GLU 54 14.573 14.593 26.085 1.00 0.00 ATOM 458 OE1 GLU 54 13.576 13.851 25.970 1.00 0.00 ATOM 459 OE2 GLU 54 14.710 15.586 25.327 1.00 0.00 ATOM 460 O GLU 54 14.280 11.947 30.855 1.00 0.00 ATOM 461 C GLU 54 13.798 12.162 29.746 1.00 0.00 ATOM 462 N PRO 55 13.054 11.344 29.201 1.00 0.00 ATOM 463 CA PRO 55 12.445 11.544 27.883 1.00 0.00 ATOM 464 CB PRO 55 11.809 10.206 27.576 1.00 0.00 ATOM 465 CG PRO 55 11.727 9.495 28.897 1.00 0.00 ATOM 466 CD PRO 55 13.012 9.876 29.564 1.00 0.00 ATOM 467 O PRO 55 10.730 12.705 29.092 1.00 0.00 ATOM 468 C PRO 55 11.265 12.500 28.003 1.00 0.00 ATOM 469 N GLY 56 10.863 13.082 26.878 1.00 0.00 ATOM 470 CA GLY 56 9.742 14.013 26.856 1.00 0.00 ATOM 471 O GLY 56 8.279 12.113 26.764 1.00 0.00 ATOM 472 C GLY 56 8.422 13.317 26.541 1.00 0.00 ATOM 473 N GLU 57 7.461 14.073 26.022 1.00 0.00 ATOM 474 CA GLU 57 6.162 13.512 25.681 1.00 0.00 ATOM 475 CB GLU 57 5.187 14.640 25.341 1.00 0.00 ATOM 476 CG GLU 57 4.847 15.552 26.511 1.00 0.00 ATOM 477 CD GLU 57 3.842 16.598 26.114 1.00 0.00 ATOM 478 OE1 GLU 57 3.511 16.667 24.956 1.00 0.00 ATOM 479 OE2 GLU 57 3.322 17.253 26.987 1.00 0.00 ATOM 480 O GLU 57 6.956 12.744 23.551 1.00 0.00 ATOM 481 C GLU 57 6.256 12.507 24.537 1.00 0.00 ATOM 482 N TYR 58 5.551 11.388 24.669 1.00 0.00 ATOM 483 CA TYR 58 5.565 10.363 23.637 1.00 0.00 ATOM 484 CB TYR 58 4.839 10.945 22.420 1.00 0.00 ATOM 485 CG TYR 58 3.492 11.550 22.742 1.00 0.00 ATOM 486 CD1 TYR 58 3.295 12.923 22.686 1.00 0.00 ATOM 487 CD2 TYR 58 2.418 10.748 23.099 1.00 0.00 ATOM 488 CE1 TYR 58 2.067 13.482 22.980 1.00 0.00 ATOM 489 CE2 TYR 58 1.184 11.296 23.394 1.00 0.00 ATOM 490 CZ TYR 58 1.013 12.664 23.333 1.00 0.00 ATOM 491 OH TYR 58 -0.213 13.214 23.625 1.00 0.00 ATOM 492 O TYR 58 7.152 9.409 22.111 1.00 0.00 ATOM 493 C TYR 58 6.950 9.872 23.233 1.00 0.00 ATOM 494 N ASP 59 7.900 9.975 24.156 1.00 0.00 ATOM 495 CA ASP 59 9.242 9.450 23.934 1.00 0.00 ATOM 496 CB ASP 59 10.269 10.586 23.940 1.00 0.00 ATOM 497 CG ASP 59 10.106 11.586 22.804 1.00 0.00 ATOM 498 OD1 ASP 59 9.983 11.164 21.678 1.00 0.00 ATOM 499 OD2 ASP 59 9.947 12.751 23.083 1.00 0.00 ATOM 500 O ASP 59 9.447 8.643 26.184 1.00 0.00 ATOM 501 C ASP 59 9.607 8.411 24.986 1.00 0.00 ATOM 502 N PRO 60 10.098 7.263 24.531 1.00 0.00 ATOM 503 CA PRO 60 10.488 6.186 25.432 1.00 0.00 ATOM 504 CB PRO 60 10.521 4.942 24.537 1.00 0.00 ATOM 505 CG PRO 60 10.899 5.463 23.192 1.00 0.00 ATOM 506 CD PRO 60 10.251 6.819 23.092 1.00 0.00 ATOM 507 O PRO 60 12.655 7.212 25.526 1.00 0.00 ATOM 508 C PRO 60 11.843 6.467 26.072 1.00 0.00 ATOM 509 N PRO 61 12.080 5.865 27.233 1.00 0.00 ATOM 510 CA PRO 61 13.357 6.003 27.921 1.00 0.00 ATOM 511 CB PRO 61 13.334 5.011 29.022 1.00 0.00 ATOM 512 CG PRO 61 11.811 4.939 29.354 1.00 0.00 ATOM 513 CD PRO 61 11.198 4.886 27.983 1.00 0.00 ATOM 514 O PRO 61 15.577 6.252 27.121 1.00 0.00 ATOM 515 C PRO 61 14.506 5.648 27.045 1.00 0.00 ATOM 516 N GLU 62 14.300 4.650 26.190 1.00 0.00 ATOM 517 CA GLU 62 15.347 4.210 25.277 1.00 0.00 ATOM 518 CB GLU 62 14.879 2.916 24.608 1.00 0.00 ATOM 519 CG GLU 62 14.796 1.719 25.543 1.00 0.00 ATOM 520 CD GLU 62 14.249 0.509 24.837 1.00 0.00 ATOM 521 OE1 GLU 62 13.899 0.624 23.686 1.00 0.00 ATOM 522 OE2 GLU 62 14.285 -0.556 25.408 1.00 0.00 ATOM 523 O GLU 62 16.816 5.318 23.740 1.00 0.00 ATOM 524 C GLU 62 15.685 5.254 24.221 1.00 0.00 ATOM 525 N MET 63 14.701 6.071 23.860 1.00 0.00 ATOM 526 CA MET 63 14.911 7.110 22.858 1.00 0.00 ATOM 527 CB MET 63 13.581 7.510 22.222 1.00 0.00 ATOM 528 CG MET 63 13.709 8.464 21.043 1.00 0.00 ATOM 529 SD MET 63 12.118 8.852 20.286 1.00 0.00 ATOM 530 CE MET 63 11.732 7.294 19.493 1.00 0.00 ATOM 531 O MET 63 16.609 8.805 22.915 1.00 0.00 ATOM 532 C MET 63 15.603 8.334 23.446 1.00 0.00 ATOM 533 N LYS 64 15.056 8.846 24.543 1.00 0.00 ATOM 534 CA LYS 64 15.576 10.059 25.165 1.00 0.00 ATOM 535 CB LYS 64 14.605 11.223 24.961 1.00 0.00 ATOM 536 CG LYS 64 14.421 11.640 23.507 1.00 0.00 ATOM 537 CD LYS 64 13.444 12.799 23.386 1.00 0.00 ATOM 538 CE LYS 64 13.159 13.132 21.928 1.00 0.00 ATOM 539 NZ LYS 64 12.084 14.153 21.791 1.00 0.00 ATOM 540 O LYS 64 15.066 9.177 27.338 1.00 0.00 ATOM 541 C LYS 64 15.837 9.848 26.651 1.00 0.00 ATOM 542 N TYR 65 16.928 10.425 27.142 1.00 0.00 ATOM 543 CA TYR 65 17.298 10.292 28.547 1.00 0.00 ATOM 544 CB TYR 65 17.598 8.824 28.818 1.00 0.00 ATOM 545 CG TYR 65 18.690 8.224 27.949 1.00 0.00 ATOM 546 CD1 TYR 65 20.026 8.186 28.398 1.00 0.00 ATOM 547 CD2 TYR 65 18.391 7.643 26.711 1.00 0.00 ATOM 548 CE1 TYR 65 21.018 7.607 27.625 1.00 0.00 ATOM 549 CE2 TYR 65 19.389 7.064 25.919 1.00 0.00 ATOM 550 CZ TYR 65 20.703 7.053 26.390 1.00 0.00 ATOM 551 OH TYR 65 21.685 6.473 25.614 1.00 0.00 ATOM 552 O TYR 65 19.297 11.558 28.151 1.00 0.00 ATOM 553 C TYR 65 18.380 11.295 28.928 1.00 0.00 ATOM 554 N THR 66 18.266 11.850 30.130 1.00 0.00 ATOM 555 CA THR 66 19.278 12.761 30.651 1.00 0.00 ATOM 556 CB THR 66 19.112 14.180 30.076 1.00 0.00 ATOM 557 CG2 THR 66 17.794 14.789 30.532 1.00 0.00 ATOM 558 OG1 THR 66 20.194 15.009 30.519 1.00 0.00 ATOM 559 O THR 66 18.211 12.472 32.781 1.00 0.00 ATOM 560 C THR 66 19.207 12.862 32.169 1.00 0.00 ATOM 561 N ASN 67 20.266 13.388 32.773 1.00 0.00 ATOM 562 CA ASN 67 20.278 13.654 34.208 1.00 0.00 ATOM 563 CB ASN 67 21.657 13.411 34.792 1.00 0.00 ATOM 564 CG ASN 67 22.069 11.965 34.789 1.00 0.00 ATOM 565 ND2 ASN 67 23.359 11.746 34.787 1.00 0.00 ATOM 566 OD1 ASN 67 21.231 11.060 34.862 1.00 0.00 ATOM 567 O ASN 67 19.665 15.433 35.693 1.00 0.00 ATOM 568 C ASN 67 19.795 15.063 34.526 1.00 0.00 ATOM 569 N VAL 68 19.528 15.848 33.486 1.00 0.00 ATOM 570 CA VAL 68 19.057 17.215 33.673 1.00 0.00 ATOM 571 CB VAL 68 19.488 18.088 32.478 1.00 0.00 ATOM 572 CG1 VAL 68 18.928 19.495 32.618 1.00 0.00 ATOM 573 CG2 VAL 68 21.004 18.128 32.368 1.00 0.00 ATOM 574 O VAL 68 16.848 16.684 32.914 1.00 0.00 ATOM 575 C VAL 68 17.547 17.238 33.767 1.00 0.00 ATOM 576 N LYS 69 17.054 17.956 34.788 1.00 0.00 ATOM 577 CA LYS 69 15.650 18.276 34.975 1.00 0.00 ATOM 578 CB LYS 69 15.252 18.246 36.451 1.00 0.00 ATOM 579 CG LYS 69 13.770 18.482 36.708 1.00 0.00 ATOM 580 CD LYS 69 13.452 18.434 38.195 1.00 0.00 ATOM 581 CE LYS 69 11.967 18.646 38.452 1.00 0.00 ATOM 582 NZ LYS 69 11.630 18.537 39.897 1.00 0.00 ATOM 583 O LYS 69 14.440 19.705 33.479 1.00 0.00 ATOM 584 C LYS 69 15.305 19.621 34.351 1.00 0.00 ATOM 585 N LYS 70 15.982 20.674 34.799 1.00 0.00 ATOM 586 CA LYS 70 15.735 22.011 34.271 1.00 0.00 ATOM 587 CB LYS 70 14.948 22.866 35.266 1.00 0.00 ATOM 588 CG LYS 70 13.510 22.413 35.485 1.00 0.00 ATOM 589 CD LYS 70 12.773 23.351 36.429 1.00 0.00 ATOM 590 CE LYS 70 11.321 22.931 36.606 1.00 0.00 ATOM 591 NZ LYS 70 10.575 23.864 37.493 1.00 0.00 ATOM 592 O LYS 70 18.109 22.321 34.433 1.00 0.00 ATOM 593 C LYS 70 17.055 22.678 33.906 1.00 0.00 ATOM 594 N VAL 71 16.991 23.649 33.002 1.00 0.00 ATOM 595 CA VAL 71 18.137 24.501 32.709 1.00 0.00 ATOM 596 CB VAL 71 18.706 24.240 31.301 1.00 0.00 ATOM 597 CG1 VAL 71 19.871 25.178 31.016 1.00 0.00 ATOM 598 CG2 VAL 71 19.144 22.791 31.164 1.00 0.00 ATOM 599 O VAL 71 16.810 26.431 32.197 1.00 0.00 ATOM 600 C VAL 71 17.759 25.971 32.829 1.00 0.00 ATOM 601 N LYS 72 18.509 26.705 33.647 1.00 0.00 ATOM 602 CA LYS 72 18.321 28.145 33.771 1.00 0.00 ATOM 603 CB LYS 72 18.352 28.563 35.243 1.00 0.00 ATOM 604 CG LYS 72 17.222 27.986 36.084 1.00 0.00 ATOM 605 CD LYS 72 17.336 28.419 37.537 1.00 0.00 ATOM 606 CE LYS 72 16.225 27.819 38.384 1.00 0.00 ATOM 607 NZ LYS 72 16.317 28.244 39.808 1.00 0.00 ATOM 608 O LYS 72 20.487 28.403 32.774 1.00 0.00 ATOM 609 C LYS 72 19.364 28.879 32.938 1.00 0.00 ATOM 610 N ILE 73 18.985 30.039 32.413 1.00 0.00 ATOM 611 CA ILE 73 19.885 30.836 31.587 1.00 0.00 ATOM 612 CB ILE 73 19.398 30.980 30.133 1.00 0.00 ATOM 613 CG1 ILE 73 19.330 29.610 29.454 1.00 0.00 ATOM 614 CG2 ILE 73 20.311 31.917 29.357 1.00 0.00 ATOM 615 CD1 ILE 73 18.641 29.628 28.108 1.00 0.00 ATOM 616 O ILE 73 19.073 32.866 32.571 1.00 0.00 ATOM 617 C ILE 73 20.051 32.221 32.197 1.00 0.00 ATOM 618 N LYS 74 21.296 32.674 32.293 1.00 0.00 ATOM 619 CA LYS 74 21.597 33.963 32.903 1.00 0.00 ATOM 620 CB LYS 74 22.831 33.857 33.801 1.00 0.00 ATOM 621 CG LYS 74 23.200 35.148 34.521 1.00 0.00 ATOM 622 CD LYS 74 24.377 34.941 35.460 1.00 0.00 ATOM 623 CE LYS 74 24.701 36.212 36.232 1.00 0.00 ATOM 624 NZ LYS 74 25.831 36.015 37.180 1.00 0.00 ATOM 625 O LYS 74 21.351 36.176 32.011 1.00 0.00 ATOM 626 C LYS 74 21.787 35.038 31.838 1.00 0.00 ATOM 627 N LYS 75 22.437 34.674 30.736 1.00 0.00 ATOM 628 CA LYS 75 22.672 35.620 29.654 1.00 0.00 ATOM 629 CB LYS 75 23.739 36.655 30.012 1.00 0.00 ATOM 630 CG LYS 75 23.924 37.753 28.973 1.00 0.00 ATOM 631 CD LYS 75 24.972 38.763 29.415 1.00 0.00 ATOM 632 CE LYS 75 25.087 39.913 28.425 1.00 0.00 ATOM 633 NZ LYS 75 26.140 40.886 28.823 1.00 0.00 ATOM 634 O LYS 75 23.582 33.764 28.441 1.00 0.00 ATOM 635 C LYS 75 22.997 34.845 28.385 1.00 0.00 ATOM 636 N VAL 76 22.616 35.400 27.237 1.00 0.00 ATOM 637 CA VAL 76 22.879 34.749 25.959 1.00 0.00 ATOM 638 CB VAL 76 21.562 34.400 25.242 1.00 0.00 ATOM 639 CG1 VAL 76 21.844 33.969 23.810 1.00 0.00 ATOM 640 CG2 VAL 76 20.854 33.351 26.084 1.00 0.00 ATOM 641 O VAL 76 23.273 36.944 25.073 1.00 0.00 ATOM 642 C VAL 76 23.595 35.754 25.064 1.00 0.00 ATOM 643 N TYR 77 24.565 35.277 24.291 1.00 0.00 ATOM 644 CA TYR 77 25.313 36.146 23.397 1.00 0.00 ATOM 645 CB TYR 77 26.649 36.495 24.056 1.00 0.00 ATOM 646 CG TYR 77 27.551 37.356 23.199 1.00 0.00 ATOM 647 CD1 TYR 77 27.236 38.683 22.944 1.00 0.00 ATOM 648 CD2 TYR 77 28.715 36.840 22.650 1.00 0.00 ATOM 649 CE1 TYR 77 28.056 39.474 22.163 1.00 0.00 ATOM 650 CE2 TYR 77 29.541 37.621 21.867 1.00 0.00 ATOM 651 CZ TYR 77 29.209 38.939 21.625 1.00 0.00 ATOM 652 OH TYR 77 30.030 39.721 20.847 1.00 0.00 ATOM 653 O TYR 77 25.857 34.315 21.947 1.00 0.00 ATOM 654 C TYR 77 25.489 35.486 22.034 1.00 0.00 ATOM 655 N PHE 78 25.225 36.239 20.972 1.00 0.00 ATOM 656 CA PHE 78 25.362 35.711 19.619 1.00 0.00 ATOM 657 CB PHE 78 24.019 35.881 18.749 1.00 0.00 ATOM 658 CG PHE 78 22.739 35.641 19.561 1.00 0.00 ATOM 659 CD1 PHE 78 22.310 34.345 19.748 1.00 0.00 ATOM 660 CD2 PHE 78 22.053 36.717 20.102 1.00 0.00 ATOM 661 CE1 PHE 78 21.142 34.105 20.482 1.00 0.00 ATOM 662 CE2 PHE 78 20.900 36.479 20.852 1.00 0.00 ATOM 663 CZ PHE 78 20.472 35.183 21.015 1.00 0.00 ATOM 664 O PHE 78 26.846 36.989 18.236 1.00 0.00 ATOM 665 C PHE 78 26.731 36.092 19.072 1.00 0.00 ATOM 666 N GLU 79 27.769 35.409 19.544 1.00 0.00 ATOM 667 CA GLU 79 29.126 35.687 19.088 1.00 0.00 ATOM 668 CB GLU 79 30.122 34.769 19.800 1.00 0.00 ATOM 669 CG GLU 79 31.575 34.991 19.406 1.00 0.00 ATOM 670 CD GLU 79 32.489 34.038 20.127 1.00 0.00 ATOM 671 OE1 GLU 79 32.330 32.853 19.959 1.00 0.00 ATOM 672 OE2 GLU 79 33.413 34.495 20.755 1.00 0.00 ATOM 673 O GLU 79 29.845 36.316 16.887 1.00 0.00 ATOM 674 C GLU 79 29.232 35.503 17.581 1.00 0.00 ATOM 675 N THR 80 28.632 34.431 17.076 1.00 0.00 ATOM 676 CA THR 80 28.687 34.119 15.653 1.00 0.00 ATOM 677 CB THR 80 29.853 33.135 15.365 1.00 0.00 ATOM 678 CG2 THR 80 31.183 33.698 15.867 1.00 0.00 ATOM 679 OG1 THR 80 29.565 31.900 16.032 1.00 0.00 ATOM 680 O THR 80 26.666 32.910 16.113 1.00 0.00 ATOM 681 C THR 80 27.460 33.303 15.257 1.00 0.00 ATOM 682 N LEU 81 27.308 33.050 13.961 1.00 0.00 ATOM 683 CA LEU 81 26.176 32.278 13.472 1.00 0.00 ATOM 684 CB LEU 81 25.910 32.723 12.029 1.00 0.00 ATOM 685 CG LEU 81 25.621 34.220 11.850 1.00 0.00 ATOM 686 CD1 LEU 81 25.446 34.545 10.373 1.00 0.00 ATOM 687 CD2 LEU 81 24.376 34.596 12.637 1.00 0.00 ATOM 688 O LEU 81 25.441 29.998 13.363 1.00 0.00 ATOM 689 C LEU 81 26.390 30.771 13.511 1.00 0.00 ATOM 690 N ASP 82 27.635 30.352 13.710 1.00 0.00 ATOM 691 CA ASP 82 27.955 28.930 13.768 1.00 0.00 ATOM 692 CB ASP 82 29.466 28.694 13.721 1.00 0.00 ATOM 693 CG ASP 82 30.092 28.897 12.348 1.00 0.00 ATOM 694 OD1 ASP 82 29.361 28.981 11.390 1.00 0.00 ATOM 695 OD2 ASP 82 31.277 29.121 12.284 1.00 0.00 ATOM 696 O ASP 82 26.930 27.189 15.058 1.00 0.00 ATOM 697 C ASP 82 27.406 28.325 15.052 1.00 0.00 ATOM 698 N ASN 83 27.470 29.086 16.141 1.00 0.00 ATOM 699 CA ASN 83 26.971 28.609 17.426 1.00 0.00 ATOM 700 CB ASN 83 28.040 27.772 18.104 1.00 0.00 ATOM 701 CG ASN 83 29.343 28.497 18.300 1.00 0.00 ATOM 702 ND2 ASN 83 30.389 27.937 17.746 1.00 0.00 ATOM 703 OD1 ASN 83 29.388 29.587 18.881 1.00 0.00 ATOM 704 O ASN 83 26.648 30.940 17.898 1.00 0.00 ATOM 705 C ASN 83 26.578 29.783 18.314 1.00 0.00 ATOM 706 N VAL 84 26.164 29.479 19.539 1.00 0.00 ATOM 707 CA VAL 84 25.712 30.503 20.472 1.00 0.00 ATOM 708 CB VAL 84 24.283 30.238 21.004 1.00 0.00 ATOM 709 CG1 VAL 84 23.947 31.260 22.091 1.00 0.00 ATOM 710 CG2 VAL 84 23.279 30.361 19.863 1.00 0.00 ATOM 711 O VAL 84 26.758 29.341 22.291 1.00 0.00 ATOM 712 C VAL 84 26.477 30.428 21.787 1.00 0.00 ATOM 713 N ARG 85 26.807 31.590 22.341 1.00 0.00 ATOM 714 CA ARG 85 27.397 31.663 23.674 1.00 0.00 ATOM 715 CB ARG 85 28.489 32.718 23.760 1.00 0.00 ATOM 716 CG ARG 85 29.691 32.469 22.862 1.00 0.00 ATOM 717 CD ARG 85 30.610 31.409 23.350 1.00 0.00 ATOM 718 NE ARG 85 31.749 31.153 22.482 1.00 0.00 ATOM 719 CZ ARG 85 32.704 30.235 22.725 1.00 0.00 ATOM 720 NH1 ARG 85 32.685 29.512 23.822 1.00 0.00 ATOM 721 NH2 ARG 85 33.676 30.097 21.840 1.00 0.00 ATOM 722 O ARG 85 25.337 32.571 24.504 1.00 0.00 ATOM 723 C ARG 85 26.328 31.879 24.737 1.00 0.00 ATOM 724 N VAL 86 26.535 31.283 25.907 1.00 0.00 ATOM 725 CA VAL 86 25.532 31.300 26.964 1.00 0.00 ATOM 726 CB VAL 86 24.434 30.250 26.718 1.00 0.00 ATOM 727 CG1 VAL 86 25.020 28.846 26.754 1.00 0.00 ATOM 728 CG2 VAL 86 23.324 30.389 27.749 1.00 0.00 ATOM 729 O VAL 86 27.146 30.318 28.443 1.00 0.00 ATOM 730 C VAL 86 26.175 31.066 28.325 1.00 0.00 ATOM 731 N VAL 87 25.621 31.700 29.354 1.00 0.00 ATOM 732 CA VAL 87 25.980 31.386 30.731 1.00 0.00 ATOM 733 CB VAL 87 26.823 32.501 31.377 1.00 0.00 ATOM 734 CG1 VAL 87 28.159 32.640 30.663 1.00 0.00 ATOM 735 CG2 VAL 87 26.068 33.821 31.355 1.00 0.00 ATOM 736 O VAL 87 23.688 31.759 31.330 1.00 0.00 ATOM 737 C VAL 87 24.732 31.154 31.573 1.00 0.00 ATOM 738 N THR 88 24.847 30.275 32.562 1.00 0.00 ATOM 739 CA THR 88 23.707 29.902 33.392 1.00 0.00 ATOM 740 CB THR 88 23.409 28.390 33.293 1.00 0.00 ATOM 741 CG2 THR 88 23.270 27.949 31.827 1.00 0.00 ATOM 742 OG1 THR 88 24.472 27.644 33.890 1.00 0.00 ATOM 743 O THR 88 25.179 30.181 35.256 1.00 0.00 ATOM 744 C THR 88 24.017 30.107 34.866 1.00 0.00 ATOM 745 N ASP 89 22.971 30.214 35.678 1.00 0.00 ATOM 746 CA ASP 89 23.147 30.337 37.114 1.00 0.00 ATOM 747 CB ASP 89 22.498 31.647 37.646 1.00 0.00 ATOM 748 CG ASP 89 20.967 31.559 37.681 1.00 0.00 ATOM 749 OD1 ASP 89 20.389 30.711 36.987 1.00 0.00 ATOM 750 OD2 ASP 89 20.313 32.360 38.389 1.00 0.00 ATOM 751 O ASP 89 22.408 29.245 39.118 1.00 0.00 ATOM 752 C ASP 89 22.515 29.191 37.893 1.00 0.00 ATOM 753 N TYR 90 22.095 28.155 37.175 1.00 0.00 ATOM 754 CA TYR 90 21.512 26.975 37.800 1.00 0.00 ATOM 755 CB TYR 90 20.547 26.280 36.838 1.00 0.00 ATOM 756 CG TYR 90 19.757 25.154 37.468 1.00 0.00 ATOM 757 CD1 TYR 90 19.594 25.080 38.844 1.00 0.00 ATOM 758 CD2 TYR 90 19.176 24.168 36.685 1.00 0.00 ATOM 759 CE1 TYR 90 18.874 24.054 39.424 1.00 0.00 ATOM 760 CE2 TYR 90 18.453 23.138 37.255 1.00 0.00 ATOM 761 CZ TYR 90 18.304 23.084 38.625 1.00 0.00 ATOM 762 OH TYR 90 17.585 22.062 39.197 1.00 0.00 ATOM 763 O TYR 90 23.131 25.240 37.447 1.00 0.00 ATOM 764 C TYR 90 22.594 26.000 38.252 1.00 0.00 ATOM 765 N SER 91 22.907 26.028 39.542 1.00 0.00 ATOM 766 CA SER 91 24.114 25.389 40.051 1.00 0.00 ATOM 767 CB SER 91 24.244 25.631 41.543 1.00 0.00 ATOM 768 OG SER 91 23.199 25.038 42.266 1.00 0.00 ATOM 769 O SER 91 25.162 23.301 39.504 1.00 0.00 ATOM 770 C SER 91 24.111 23.898 39.742 1.00 0.00 ATOM 771 N GLU 92 22.925 23.299 39.745 1.00 0.00 ATOM 772 CA GLU 92 22.786 21.872 39.485 1.00 0.00 ATOM 773 CB GLU 92 21.393 21.388 39.896 1.00 0.00 ATOM 774 CG GLU 92 21.137 21.412 41.395 1.00 0.00 ATOM 775 CD GLU 92 22.145 20.578 42.136 1.00 0.00 ATOM 776 OE1 GLU 92 22.320 19.438 41.780 1.00 0.00 ATOM 777 OE2 GLU 92 22.820 21.113 42.983 1.00 0.00 ATOM 778 O GLU 92 23.665 20.526 37.704 1.00 0.00 ATOM 779 C GLU 92 23.063 21.550 38.022 1.00 0.00 ATOM 780 N PHE 93 22.616 22.432 37.134 1.00 0.00 ATOM 781 CA PHE 93 22.923 22.309 35.714 1.00 0.00 ATOM 782 CB PHE 93 22.079 23.292 34.900 1.00 0.00 ATOM 783 CG PHE 93 22.272 23.171 33.414 1.00 0.00 ATOM 784 CD1 PHE 93 21.877 22.025 32.740 1.00 0.00 ATOM 785 CD2 PHE 93 22.849 24.203 32.689 1.00 0.00 ATOM 786 CE1 PHE 93 22.055 21.914 31.374 1.00 0.00 ATOM 787 CE2 PHE 93 23.027 24.094 31.323 1.00 0.00 ATOM 788 CZ PHE 93 22.629 22.947 30.665 1.00 0.00 ATOM 789 O PHE 93 24.992 21.872 34.580 1.00 0.00 ATOM 790 C PHE 93 24.403 22.535 35.436 1.00 0.00 ATOM 791 N GLN 94 24.898 23.487 36.239 1.00 0.00 ATOM 792 CA GLN 94 26.337 23.692 36.137 1.00 0.00 ATOM 793 CB GLN 94 26.785 24.891 36.971 1.00 0.00 ATOM 794 CG GLN 94 26.439 26.218 36.332 1.00 0.00 ATOM 795 CD GLN 94 26.896 27.403 37.157 1.00 0.00 ATOM 796 OE1 GLN 94 26.813 27.393 38.385 1.00 0.00 ATOM 797 NE2 GLN 94 27.373 28.440 36.481 1.00 0.00 ATOM 798 O GLN 94 28.103 22.084 35.903 1.00 0.00 ATOM 799 C GLN 94 27.102 22.435 36.529 1.00 0.00 ATOM 800 N LYS 95 26.626 21.758 37.570 1.00 0.00 ATOM 801 CA LYS 95 27.207 20.489 37.990 1.00 0.00 ATOM 802 CB LYS 95 26.563 20.010 39.291 1.00 0.00 ATOM 803 CG LYS 95 26.924 20.838 40.517 1.00 0.00 ATOM 804 CD LYS 95 26.134 20.394 41.738 1.00 0.00 ATOM 805 CE LYS 95 26.371 21.323 42.919 1.00 0.00 ATOM 806 NZ LYS 95 25.509 20.978 44.081 1.00 0.00 ATOM 807 O LYS 95 27.981 18.661 36.642 1.00 0.00 ATOM 808 C LYS 95 27.056 19.430 36.906 1.00 0.00 ATOM 809 N ILE 96 25.883 19.390 36.284 1.00 0.00 ATOM 810 CA ILE 96 25.621 18.453 35.199 1.00 0.00 ATOM 811 CB ILE 96 24.065 18.505 34.782 1.00 0.00 ATOM 812 CG1 ILE 96 23.174 17.921 35.899 1.00 0.00 ATOM 813 CG2 ILE 96 23.820 17.734 33.499 1.00 0.00 ATOM 814 CD1 ILE 96 21.739 18.171 35.613 1.00 0.00 ATOM 815 O ILE 96 27.060 17.765 33.405 1.00 0.00 ATOM 816 C ILE 96 26.562 18.704 34.026 1.00 0.00 ATOM 817 N LEU 97 26.801 19.977 33.729 1.00 0.00 ATOM 818 CA LEU 97 27.748 20.354 32.687 1.00 0.00 ATOM 819 CB LEU 97 27.663 21.862 32.416 1.00 0.00 ATOM 820 CG LEU 97 26.368 22.331 31.739 1.00 0.00 ATOM 821 CD1 LEU 97 26.343 23.851 31.657 1.00 0.00 ATOM 822 CD2 LEU 97 26.265 21.715 30.353 1.00 0.00 ATOM 823 O LEU 97 29.974 19.640 32.208 1.00 0.00 ATOM 824 C LEU 97 29.182 20.025 33.071 1.00 0.00 ATOM 825 N LYS 98 29.523 20.197 34.341 1.00 0.00 ATOM 826 CA LYS 98 30.856 19.821 34.811 1.00 0.00 ATOM 827 CB LYS 98 31.012 20.316 36.274 1.00 0.00 ATOM 828 CG LYS 98 32.467 20.341 36.785 1.00 0.00 ATOM 829 CD LYS 98 32.535 21.100 38.110 1.00 0.00 ATOM 830 CE LYS 98 33.955 21.066 38.716 1.00 0.00 ATOM 831 NZ LYS 98 33.965 21.871 39.986 1.00 0.00 ATOM 832 O LYS 98 32.253 17.936 34.308 1.00 0.00 ATOM 833 C LYS 98 31.129 18.330 34.614 1.00 0.00 ATOM 834 N LYS 99 30.096 17.526 34.777 1.00 0.00 ATOM 835 CA LYS 99 30.230 16.085 34.506 1.00 0.00 ATOM 836 CB LYS 99 28.964 15.359 34.965 1.00 0.00 ATOM 837 CG LYS 99 28.746 15.365 36.472 1.00 0.00 ATOM 838 CD LYS 99 27.438 14.684 36.844 1.00 0.00 ATOM 839 CE LYS 99 27.209 14.707 38.349 1.00 0.00 ATOM 840 NZ LYS 99 25.925 14.059 38.726 1.00 0.00 ATOM 841 O LYS 99 31.083 14.737 32.714 1.00 0.00 ATOM 842 C LYS 99 30.510 15.776 33.040 1.00 0.00 ATOM 843 N ARG 100 30.102 16.685 32.161 1.00 0.00 ATOM 844 CA ARG 100 30.357 16.538 30.734 1.00 0.00 ATOM 845 CB ARG 100 29.235 17.120 29.886 1.00 0.00 ATOM 846 CG ARG 100 27.882 16.452 30.072 1.00 0.00 ATOM 847 CD ARG 100 27.786 15.091 29.486 1.00 0.00 ATOM 848 NE ARG 100 26.457 14.504 29.541 1.00 0.00 ATOM 849 CZ ARG 100 26.137 13.286 29.062 1.00 0.00 ATOM 850 NH1 ARG 100 27.034 12.539 28.460 1.00 0.00 ATOM 851 NH2 ARG 100 24.888 12.871 29.193 1.00 0.00 ATOM 852 O ARG 100 32.011 17.201 29.127 1.00 0.00 ATOM 853 C ARG 100 31.597 17.299 30.282 1.00 0.00 ATOM 854 N GLY 101 32.225 18.033 31.202 1.00 0.00 ATOM 855 CA GLY 101 33.423 18.778 30.871 1.00 0.00 ATOM 856 O GLY 101 33.969 20.721 29.575 1.00 0.00 ATOM 857 C GLY 101 33.110 20.117 30.216 1.00 0.00 ATOM 858 N THR 102 31.874 20.574 30.379 1.00 0.00 ATOM 859 CA THR 102 31.442 21.841 29.801 1.00 0.00 ATOM 860 CB THR 102 30.048 21.718 29.157 1.00 0.00 ATOM 861 CG2 THR 102 29.595 23.061 28.605 1.00 0.00 ATOM 862 OG1 THR 102 30.093 20.759 28.093 1.00 0.00 ATOM 863 O THR 102 31.027 22.715 31.996 1.00 0.00 ATOM 864 C THR 102 31.448 22.938 30.859 1.00 0.00 ATOM 865 N LYS 103 31.922 24.122 30.486 1.00 0.00 ATOM 866 CA LYS 103 31.971 25.243 31.415 1.00 0.00 ATOM 867 CB LYS 103 33.413 25.628 31.681 1.00 0.00 ATOM 868 CG LYS 103 33.544 26.794 32.651 1.00 0.00 ATOM 869 CD LYS 103 35.003 27.107 32.940 1.00 0.00 ATOM 870 CE LYS 103 35.137 28.287 33.893 1.00 0.00 ATOM 871 NZ LYS 103 36.555 28.667 34.119 1.00 0.00 ATOM 872 O LYS 103 31.918 26.942 29.722 1.00 0.00 ATOM 873 C LYS 103 31.401 26.489 30.744 1.00 0.00 ATOM 874 N LEU 104 30.338 27.039 31.320 1.00 0.00 ATOM 875 CA LEU 104 29.714 28.232 30.766 1.00 0.00 ATOM 876 CB LEU 104 28.229 28.247 31.153 1.00 0.00 ATOM 877 CG LEU 104 27.410 27.055 30.643 1.00 0.00 ATOM 878 CD1 LEU 104 25.958 27.195 31.080 1.00 0.00 ATOM 879 CD2 LEU 104 27.513 26.977 29.127 1.00 0.00 ATOM 880 O LEU 104 30.228 30.565 30.742 1.00 0.00 ATOM 881 C LEU 104 30.480 29.462 31.241 1.00 0.00 ATOM 882 N GLU 105 31.366 29.329 32.170 1.00 0.00 ATOM 883 CA GLU 105 32.157 30.458 32.644 1.00 0.00 ATOM 884 CB GLU 105 32.443 30.308 34.140 1.00 0.00 ATOM 885 CG GLU 105 31.209 30.386 35.026 1.00 0.00 ATOM 886 CD GLU 105 31.572 30.250 36.480 1.00 0.00 ATOM 887 OE1 GLU 105 32.738 30.144 36.774 1.00 0.00 ATOM 888 OE2 GLU 105 30.695 30.365 37.303 1.00 0.00 ATOM 889 O GLU 105 34.311 31.398 32.166 1.00 0.00 ATOM 890 C GLU 105 33.409 30.646 31.795 1.00 0.00 ATOM 891 N HIS 106 33.464 29.963 30.656 1.00 0.00 ATOM 892 CA HIS 106 34.612 30.069 29.767 1.00 0.00 ATOM 893 CB HIS 106 34.243 29.528 28.388 1.00 0.00 ATOM 894 CG HIS 106 34.512 28.059 28.275 1.00 0.00 ATOM 895 CD2 HIS 106 33.673 27.006 28.087 1.00 0.00 ATOM 896 ND1 HIS 106 35.777 27.525 28.426 1.00 0.00 ATOM 897 CE1 HIS 106 35.710 26.208 28.300 1.00 0.00 ATOM 898 NE2 HIS 106 34.446 25.866 28.092 1.00 0.00 ATOM 899 O HIS 106 34.009 32.318 29.251 1.00 0.00 ATOM 900 C HIS 106 34.916 31.504 29.425 1.00 0.00 ATOM 901 N HIS 107 36.202 31.824 29.321 1.00 0.00 ATOM 902 CA HIS 107 36.618 33.182 28.990 1.00 0.00 ATOM 903 CB HIS 107 38.133 33.284 29.196 1.00 0.00 ATOM 904 CG HIS 107 38.929 32.546 28.164 1.00 0.00 ATOM 905 CD2 HIS 107 39.577 32.982 27.058 1.00 0.00 ATOM 906 ND1 HIS 107 39.128 31.182 28.212 1.00 0.00 ATOM 907 CE1 HIS 107 39.864 30.811 27.179 1.00 0.00 ATOM 908 NE2 HIS 107 40.150 31.885 26.463 1.00 0.00 ATOM 909 O HIS 107 36.381 34.884 27.318 1.00 0.00 ATOM 910 C HIS 107 36.260 33.691 27.601 1.00 0.00 ATOM 911 N HIS 108 35.821 32.786 26.732 1.00 0.00 ATOM 912 CA HIS 108 35.448 33.161 25.374 1.00 0.00 ATOM 913 CB HIS 108 35.341 31.915 24.488 1.00 0.00 ATOM 914 CG HIS 108 36.653 31.226 24.260 1.00 0.00 ATOM 915 CD2 HIS 108 37.120 30.035 24.698 1.00 0.00 ATOM 916 ND1 HIS 108 37.656 31.776 23.490 1.00 0.00 ATOM 917 CE1 HIS 108 38.688 30.951 23.467 1.00 0.00 ATOM 918 NE2 HIS 108 38.389 29.887 24.192 1.00 0.00 ATOM 919 O HIS 108 33.884 34.702 24.405 1.00 0.00 ATOM 920 C HIS 108 34.137 33.938 25.337 1.00 0.00 ATOM 921 N HIS 109 33.308 33.737 26.356 1.00 0.00 ATOM 922 CA HIS 109 32.001 34.382 26.418 1.00 0.00 ATOM 923 CB HIS 109 30.958 33.369 26.941 1.00 0.00 ATOM 924 CG HIS 109 29.581 33.932 27.106 1.00 0.00 ATOM 925 CD2 HIS 109 28.974 34.510 28.171 1.00 0.00 ATOM 926 ND1 HIS 109 28.667 33.971 26.075 1.00 0.00 ATOM 927 CE1 HIS 109 27.552 34.539 26.500 1.00 0.00 ATOM 928 NE2 HIS 109 27.713 34.876 27.769 1.00 0.00 ATOM 929 O HIS 109 32.094 35.575 28.497 1.00 0.00 ATOM 930 C HIS 109 32.116 35.643 27.267 1.00 0.00 ATOM 931 N HIS 110 32.242 36.794 26.612 1.00 0.00 ATOM 932 CA HIS 110 32.378 38.057 27.318 1.00 0.00 ATOM 933 CB HIS 110 33.229 39.006 26.476 1.00 0.00 ATOM 934 CG HIS 110 34.654 38.570 26.329 1.00 0.00 ATOM 935 CD2 HIS 110 35.221 37.632 25.534 1.00 0.00 ATOM 936 ND1 HIS 110 35.681 39.118 27.067 1.00 0.00 ATOM 937 CE1 HIS 110 36.818 38.538 26.732 1.00 0.00 ATOM 938 NE2 HIS 110 36.568 37.632 25.804 1.00 0.00 ATOM 939 O HIS 110 30.990 39.744 28.307 1.00 0.00 ATOM 940 C HIS 110 31.058 38.786 27.537 1.00 0.00 ATOM 941 N HIS 111 30.009 38.330 26.860 1.00 0.00 ATOM 942 CA HIS 111 28.696 38.949 26.995 1.00 0.00 ATOM 943 CB HIS 111 28.408 40.056 25.978 1.00 0.00 ATOM 944 CG HIS 111 29.598 40.895 25.635 1.00 0.00 ATOM 945 CD2 HIS 111 30.059 42.051 26.167 1.00 0.00 ATOM 946 ND1 HIS 111 30.476 40.562 24.626 1.00 0.00 ATOM 947 CE1 HIS 111 31.424 41.480 24.547 1.00 0.00 ATOM 948 NE2 HIS 111 31.194 42.394 25.472 1.00 0.00 ATOM 949 O HIS 111 26.968 37.570 27.886 1.00 0.00 ATOM 950 C HIS 111 27.625 37.870 26.867 1.00 0.00 TER END