PFRMAT TS TARGET T0387 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 METHOD For T0387, all the core models were essentially indistinguisable, so METHOD the interesting task is to figure out how the C-terminal tail lies in METHOD the multimer. METHOD METHOD We were not certain whether this was a pair of dimers or a cyclic METHOD tetramer, but the dimers we constructed from existing templates had METHOD bad buried charges, so we believe it is a cyclic tetramer. We were METHOD unable to build a convincing tetramer, due to lack of appropriate METHOD tools and lack of time. Thus we are simply submitting monomers, METHOD knowing that the C-terminal tail is wrong. METHOD METHOD Model METHOD 1 T0387.MQAU1-opt3.pdb a metaserver model METHOD 2 T0387.try3-opt3.pdb a native SAM/undertaker model METHOD 3 T0387.MQAC1-opt3.pdb a metaserver model (from consensus scoring) METHOD 4 alignment T0387-1g9oA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD 5 alignment T0387-2ozfA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD REMARK 6 REMARK 6 T0387 model 5 Sat May 24 18:34:58 2008 MODEL 5 PARENT 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A REMARK 7 REMARK 7 ALLPARENTS 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A 1gq5_A ATOM 2 N LYS 3 0.595 7.380 7.491 1.00 0.00 ATOM 3 CA LYS 3 0.835 7.008 8.869 1.00 0.00 ATOM 4 CB LYS 3 1.151 8.246 9.712 1.00 0.00 ATOM 5 CG LYS 3 -0.000 9.233 9.819 1.00 0.00 ATOM 6 CD LYS 3 0.388 10.445 10.652 1.00 0.00 ATOM 7 CE LYS 3 -0.766 11.428 10.768 1.00 0.00 ATOM 8 NZ LYS 3 -0.418 12.592 11.628 1.00 0.00 ATOM 9 O LYS 3 -1.491 6.538 8.936 1.00 0.00 ATOM 10 C LYS 3 -0.407 6.323 9.447 1.00 0.00 ATOM 11 N PRO 4 -0.245 5.530 10.515 1.00 0.00 ATOM 12 CA PRO 4 -1.437 4.941 11.109 1.00 0.00 ATOM 13 CB PRO 4 -0.869 4.091 12.282 1.00 0.00 ATOM 14 CG PRO 4 0.639 3.805 11.900 1.00 0.00 ATOM 15 CD PRO 4 1.000 5.117 11.210 1.00 0.00 ATOM 16 O PRO 4 -1.935 7.105 12.052 1.00 0.00 ATOM 17 C PRO 4 -2.379 6.021 11.645 1.00 0.00 ATOM 18 N LYS 5 -3.667 5.684 11.701 1.00 0.00 ATOM 19 CA LYS 5 -4.726 6.557 12.216 1.00 0.00 ATOM 20 CB LYS 5 -5.906 6.601 11.244 1.00 0.00 ATOM 21 CG LYS 5 -5.587 7.254 9.909 1.00 0.00 ATOM 22 CD LYS 5 -6.804 7.273 9.000 1.00 0.00 ATOM 23 CE LYS 5 -6.474 7.886 7.648 1.00 0.00 ATOM 24 NZ LYS 5 -7.652 7.892 6.738 1.00 0.00 ATOM 25 O LYS 5 -5.534 4.869 13.670 1.00 0.00 ATOM 26 C LYS 5 -5.208 6.041 13.543 1.00 0.00 ATOM 27 N LEU 6 -5.344 6.927 14.518 1.00 0.00 ATOM 28 CA LEU 6 -5.966 6.609 15.793 1.00 0.00 ATOM 29 CB LEU 6 -5.287 7.384 16.956 1.00 0.00 ATOM 30 CG LEU 6 -5.763 6.917 18.348 1.00 0.00 ATOM 31 CD1 LEU 6 -5.278 5.472 18.672 1.00 0.00 ATOM 32 CD2 LEU 6 -5.263 7.950 19.350 1.00 0.00 ATOM 33 O LEU 6 -7.822 8.155 15.538 1.00 0.00 ATOM 34 C LEU 6 -7.452 6.984 15.741 1.00 0.00 ATOM 35 N CYS 7 -8.308 5.980 15.878 1.00 0.00 ATOM 36 CA CYS 7 -9.721 6.094 15.857 1.00 0.00 ATOM 37 CB CYS 7 -10.337 5.070 14.883 1.00 0.00 ATOM 38 SG CYS 7 -9.766 5.223 13.165 1.00 0.00 ATOM 39 O CYS 7 -10.267 4.811 17.831 1.00 0.00 ATOM 40 C CYS 7 -10.282 5.902 17.278 1.00 0.00 ATOM 41 N ARG 8 -10.794 6.981 17.842 1.00 0.00 ATOM 42 CA ARG 8 -11.222 7.026 19.235 1.00 0.00 ATOM 43 CB ARG 8 -10.662 8.268 19.929 1.00 0.00 ATOM 44 CG ARG 8 -11.013 8.367 21.405 1.00 0.00 ATOM 45 CD ARG 8 -10.380 9.592 22.043 1.00 0.00 ATOM 46 NE ARG 8 -10.715 9.707 23.460 1.00 0.00 ATOM 47 CZ ARG 8 -10.366 10.732 24.229 1.00 0.00 ATOM 48 NH1 ARG 8 -10.715 10.750 25.509 1.00 0.00 ATOM 49 NH2 ARG 8 -9.669 11.738 23.719 1.00 0.00 ATOM 50 O ARG 8 -13.378 7.853 18.461 1.00 0.00 ATOM 51 C ARG 8 -12.775 7.066 19.213 1.00 0.00 ATOM 52 N LEU 9 -13.427 6.194 20.005 1.00 0.00 ATOM 53 CA LEU 9 -14.842 6.064 19.970 1.00 0.00 ATOM 54 CB LEU 9 -15.256 4.990 18.962 1.00 0.00 ATOM 55 CG LEU 9 -14.991 5.305 17.489 1.00 0.00 ATOM 56 CD1 LEU 9 -15.216 4.074 16.627 1.00 0.00 ATOM 57 CD2 LEU 9 -15.917 6.407 16.999 1.00 0.00 ATOM 58 O LEU 9 -14.767 5.049 22.080 1.00 0.00 ATOM 59 C LEU 9 -15.419 5.674 21.300 1.00 0.00 ATOM 60 N ALA 10 -16.627 6.147 21.533 1.00 0.00 ATOM 61 CA ALA 10 -17.432 5.803 22.725 1.00 0.00 ATOM 62 CB ALA 10 -17.825 7.063 23.481 1.00 0.00 ATOM 63 O ALA 10 -19.329 5.490 21.286 1.00 0.00 ATOM 64 C ALA 10 -18.691 5.073 22.271 1.00 0.00 ATOM 65 N LYS 11 -19.111 4.023 22.997 1.00 0.00 ATOM 66 CA LYS 11 -20.281 3.304 22.591 1.00 0.00 ATOM 67 CB LYS 11 -20.570 2.133 23.549 1.00 0.00 ATOM 68 CG LYS 11 -19.603 0.999 23.522 1.00 0.00 ATOM 69 CD LYS 11 -20.064 -0.087 24.498 1.00 0.00 ATOM 70 CE LYS 11 -19.033 -1.164 24.574 1.00 0.00 ATOM 71 NZ LYS 11 -19.362 -2.126 25.706 1.00 0.00 ATOM 72 O LYS 11 -21.738 4.937 23.540 1.00 0.00 ATOM 73 C LYS 11 -21.514 4.156 22.603 1.00 0.00 ATOM 74 N GLY 12 -22.340 3.964 21.582 1.00 0.00 ATOM 75 CA GLY 12 -23.745 4.388 21.612 1.00 0.00 ATOM 76 O GLY 12 -24.242 2.207 22.541 1.00 0.00 ATOM 77 C GLY 12 -24.677 3.259 22.032 1.00 0.00 ATOM 78 N GLU 13 -25.973 3.464 21.823 1.00 0.00 ATOM 79 CA GLU 13 -26.998 2.460 22.138 1.00 0.00 ATOM 80 CB GLU 13 -28.383 2.959 21.722 1.00 0.00 ATOM 81 CG GLU 13 -28.923 4.086 22.587 1.00 0.00 ATOM 82 CD GLU 13 -30.252 4.617 22.090 1.00 0.00 ATOM 83 OE1 GLU 13 -30.719 4.152 21.030 1.00 0.00 ATOM 84 OE2 GLU 13 -30.828 5.500 22.762 1.00 0.00 ATOM 85 O GLU 13 -27.248 0.038 21.967 1.00 0.00 ATOM 86 C GLU 13 -26.812 1.098 21.443 1.00 0.00 ATOM 87 N ASN 14 -26.196 1.131 20.269 1.00 0.00 ATOM 88 CA ASN 14 -25.946 -0.055 19.478 1.00 0.00 ATOM 89 CB ASN 14 -26.344 0.181 18.019 1.00 0.00 ATOM 90 CG ASN 14 -27.834 0.399 17.849 1.00 0.00 ATOM 91 ND2 ASN 14 -28.214 1.612 17.464 1.00 0.00 ATOM 92 OD1 ASN 14 -28.633 -0.513 18.063 1.00 0.00 ATOM 93 O ASN 14 -24.060 -1.197 18.643 1.00 0.00 ATOM 94 C ASN 14 -24.473 -0.438 19.509 1.00 0.00 ATOM 95 N GLY 15 -23.701 0.026 20.487 1.00 0.00 ATOM 96 CA GLY 15 -22.268 -0.259 20.519 1.00 0.00 ATOM 97 O GLY 15 -21.920 1.882 19.477 1.00 0.00 ATOM 98 C GLY 15 -21.503 0.741 19.665 1.00 0.00 ATOM 99 N TYR 16 -20.360 0.303 19.152 1.00 0.00 ATOM 100 CA TYR 16 -19.533 1.172 18.317 1.00 0.00 ATOM 101 CB TYR 16 -18.069 0.759 18.365 1.00 0.00 ATOM 102 CG TYR 16 -17.424 0.726 19.730 1.00 0.00 ATOM 103 CD1 TYR 16 -17.247 1.875 20.467 1.00 0.00 ATOM 104 CD2 TYR 16 -16.981 -0.487 20.305 1.00 0.00 ATOM 105 CE1 TYR 16 -16.689 1.846 21.709 1.00 0.00 ATOM 106 CE2 TYR 16 -16.395 -0.493 21.593 1.00 0.00 ATOM 107 CZ TYR 16 -16.256 0.666 22.270 1.00 0.00 ATOM 108 OH TYR 16 -15.681 0.701 23.515 1.00 0.00 ATOM 109 O TYR 16 -19.702 2.265 16.259 1.00 0.00 ATOM 110 C TYR 16 -19.980 1.245 16.899 1.00 0.00 ATOM 111 N GLY 17 -20.553 0.170 16.341 1.00 0.00 ATOM 112 CA GLY 17 -20.978 0.191 14.972 1.00 0.00 ATOM 113 O GLY 17 -19.918 0.274 12.809 1.00 0.00 ATOM 114 C GLY 17 -19.959 -0.271 13.940 1.00 0.00 ATOM 115 N PHE 18 -19.164 -1.273 14.287 1.00 0.00 ATOM 116 CA PHE 18 -18.337 -1.916 13.275 1.00 0.00 ATOM 117 CB PHE 18 -16.915 -1.344 13.237 1.00 0.00 ATOM 118 CG PHE 18 -16.062 -1.604 14.424 1.00 0.00 ATOM 119 CD1 PHE 18 -15.212 -2.733 14.479 1.00 0.00 ATOM 120 CD2 PHE 18 -16.124 -0.802 15.543 1.00 0.00 ATOM 121 CE1 PHE 18 -14.410 -2.956 15.582 1.00 0.00 ATOM 122 CE2 PHE 18 -15.342 -1.048 16.669 1.00 0.00 ATOM 123 CZ PHE 18 -14.475 -2.131 16.673 1.00 0.00 ATOM 124 O PHE 18 -18.468 -3.885 14.626 1.00 0.00 ATOM 125 C PHE 18 -18.277 -3.407 13.491 1.00 0.00 ATOM 126 N HIS 19 -17.944 -4.115 12.411 1.00 0.00 ATOM 127 CA HIS 19 -17.718 -5.555 12.460 1.00 0.00 ATOM 128 CB HIS 19 -18.544 -6.264 11.386 1.00 0.00 ATOM 129 CG HIS 19 -18.494 -7.758 11.471 1.00 0.00 ATOM 130 CD2 HIS 19 -19.312 -8.791 12.089 1.00 0.00 ATOM 131 ND1 HIS 19 -17.497 -8.503 10.880 1.00 0.00 ATOM 132 CE1 HIS 19 -17.719 -9.806 11.130 1.00 0.00 ATOM 133 NE2 HIS 19 -18.807 -9.986 11.855 1.00 0.00 ATOM 134 O HIS 19 -15.655 -5.175 11.348 1.00 0.00 ATOM 135 C HIS 19 -16.233 -5.797 12.216 1.00 0.00 ATOM 136 N LEU 20 -15.645 -6.662 13.028 1.00 0.00 ATOM 137 CA LEU 20 -14.221 -7.039 12.984 1.00 0.00 ATOM 138 CB LEU 20 -13.655 -6.978 14.428 1.00 0.00 ATOM 139 CG LEU 20 -12.176 -7.127 14.623 1.00 0.00 ATOM 140 CD1 LEU 20 -11.432 -5.923 13.933 1.00 0.00 ATOM 141 CD2 LEU 20 -11.773 -7.220 16.058 1.00 0.00 ATOM 142 O LEU 20 -14.912 -9.300 12.911 1.00 0.00 ATOM 143 C LEU 20 -14.100 -8.485 12.503 1.00 0.00 ATOM 144 N ASN 21 -13.126 -8.797 11.649 1.00 0.00 ATOM 145 CA ASN 21 -12.976 -10.149 11.162 1.00 0.00 ATOM 146 CB ASN 21 -13.821 -10.363 9.905 1.00 0.00 ATOM 147 CG ASN 21 -13.283 -9.609 8.706 1.00 0.00 ATOM 148 ND2 ASN 21 -13.999 -9.682 7.591 1.00 0.00 ATOM 149 OD1 ASN 21 -12.234 -8.969 8.783 1.00 0.00 ATOM 150 O ASN 21 -10.728 -9.740 10.477 1.00 0.00 ATOM 151 C ASN 21 -11.574 -10.545 10.789 1.00 0.00 ATOM 152 N ALA 22 -11.363 -11.856 10.849 1.00 0.00 ATOM 153 CA ALA 22 -10.143 -12.461 10.374 1.00 0.00 ATOM 154 CB ALA 22 -9.974 -13.850 10.967 1.00 0.00 ATOM 155 O ALA 22 -11.243 -12.667 8.262 1.00 0.00 ATOM 156 C ALA 22 -10.175 -12.578 8.861 1.00 0.00 ATOM 157 N ILE 23 -8.991 -12.725 8.276 1.00 0.00 ATOM 158 CA ILE 23 -8.851 -12.984 6.847 1.00 0.00 ATOM 159 CB ILE 23 -7.891 -11.980 6.183 1.00 0.00 ATOM 160 CG1 ILE 23 -8.366 -10.546 6.429 1.00 0.00 ATOM 161 CG2 ILE 23 -7.828 -12.216 4.681 1.00 0.00 ATOM 162 CD1 ILE 23 -9.741 -10.254 5.868 1.00 0.00 ATOM 163 O ILE 23 -7.459 -14.807 7.416 1.00 0.00 ATOM 164 C ILE 23 -8.299 -14.392 6.663 1.00 0.00 ATOM 165 N ARG 24 -8.774 -15.106 5.659 1.00 0.00 ATOM 166 CA ARG 24 -8.401 -16.504 5.469 1.00 0.00 ATOM 167 CB ARG 24 -9.311 -17.165 4.432 1.00 0.00 ATOM 168 CG ARG 24 -10.737 -17.388 4.909 1.00 0.00 ATOM 169 CD ARG 24 -11.604 -17.970 3.804 1.00 0.00 ATOM 170 NE ARG 24 -12.981 -18.181 4.244 1.00 0.00 ATOM 171 CZ ARG 24 -13.972 -18.555 3.440 1.00 0.00 ATOM 172 NH1 ARG 24 -15.194 -18.725 3.928 1.00 0.00 ATOM 173 NH2 ARG 24 -13.739 -18.760 2.151 1.00 0.00 ATOM 174 O ARG 24 -6.296 -17.625 5.181 1.00 0.00 ATOM 175 C ARG 24 -6.952 -16.599 4.984 1.00 0.00 ATOM 176 N GLY 25 -6.474 -15.518 4.334 1.00 0.00 ATOM 177 CA GLY 25 -5.172 -15.492 3.646 1.00 0.00 ATOM 178 O GLY 25 -2.917 -14.787 3.957 1.00 0.00 ATOM 179 C GLY 25 -4.095 -14.626 4.281 1.00 0.00 ATOM 180 N LEU 26 -4.443 -13.673 5.130 1.00 0.00 ATOM 181 CA LEU 26 -3.393 -12.857 5.735 1.00 0.00 ATOM 182 CB LEU 26 -3.257 -11.524 4.996 1.00 0.00 ATOM 183 CG LEU 26 -2.793 -11.600 3.541 1.00 0.00 ATOM 184 CD1 LEU 26 -2.916 -10.242 2.865 1.00 0.00 ATOM 185 CD2 LEU 26 -1.339 -12.040 3.462 1.00 0.00 ATOM 186 O LEU 26 -4.800 -12.588 7.600 1.00 0.00 ATOM 187 C LEU 26 -3.651 -12.535 7.175 1.00 0.00 ATOM 188 N PRO 27 -2.577 -12.285 7.945 1.00 0.00 ATOM 189 CA PRO 27 -2.701 -12.168 9.372 1.00 0.00 ATOM 190 CB PRO 27 -1.260 -12.222 9.863 1.00 0.00 ATOM 191 CG PRO 27 -0.449 -11.757 8.718 1.00 0.00 ATOM 192 CD PRO 27 -1.168 -12.176 7.501 1.00 0.00 ATOM 193 O PRO 27 -3.233 -9.863 8.979 1.00 0.00 ATOM 194 C PRO 27 -3.345 -10.832 9.723 1.00 0.00 ATOM 195 N GLY 28 -3.940 -10.805 10.889 1.00 0.00 ATOM 196 CA GLY 28 -4.497 -9.604 11.465 1.00 0.00 ATOM 197 O GLY 28 -6.703 -10.400 10.960 1.00 0.00 ATOM 198 C GLY 28 -6.001 -9.573 11.507 1.00 0.00 ATOM 199 N SER 29 -6.489 -8.529 12.161 1.00 0.00 ATOM 200 CA SER 29 -7.895 -8.286 12.319 1.00 0.00 ATOM 201 CB SER 29 -8.245 -8.107 13.798 1.00 0.00 ATOM 202 OG SER 29 -8.049 -9.311 14.518 1.00 0.00 ATOM 203 O SER 29 -7.663 -5.974 11.731 1.00 0.00 ATOM 204 C SER 29 -8.268 -7.029 11.567 1.00 0.00 ATOM 205 N PHE 30 -9.287 -7.193 10.718 1.00 0.00 ATOM 206 CA PHE 30 -9.693 -6.185 9.743 1.00 0.00 ATOM 207 CB PHE 30 -9.600 -6.773 8.336 1.00 0.00 ATOM 208 CG PHE 30 -8.218 -7.186 7.973 1.00 0.00 ATOM 209 CD1 PHE 30 -7.408 -6.314 7.291 1.00 0.00 ATOM 210 CD2 PHE 30 -7.757 -8.438 8.245 1.00 0.00 ATOM 211 CE1 PHE 30 -6.122 -6.657 6.900 1.00 0.00 ATOM 212 CE2 PHE 30 -6.482 -8.776 7.823 1.00 0.00 ATOM 213 CZ PHE 30 -5.667 -7.869 7.160 1.00 0.00 ATOM 214 O PHE 30 -11.954 -6.476 10.448 1.00 0.00 ATOM 215 C PHE 30 -11.109 -5.727 9.989 1.00 0.00 ATOM 216 N ILE 31 -11.379 -4.470 9.683 1.00 0.00 ATOM 217 CA ILE 31 -12.745 -3.932 9.738 1.00 0.00 ATOM 218 CB ILE 31 -12.737 -2.397 9.730 1.00 0.00 ATOM 219 CG1 ILE 31 -11.839 -1.874 10.854 1.00 0.00 ATOM 220 CG2 ILE 31 -14.154 -1.929 10.002 1.00 0.00 ATOM 221 CD1 ILE 31 -12.098 -2.479 12.289 1.00 0.00 ATOM 222 O ILE 31 -13.238 -4.091 7.400 1.00 0.00 ATOM 223 C ILE 31 -13.546 -4.436 8.545 1.00 0.00 ATOM 224 N LYS 32 -14.553 -5.277 8.780 1.00 0.00 ATOM 225 CA LYS 32 -15.388 -5.721 7.681 1.00 0.00 ATOM 226 CB LYS 32 -16.274 -6.888 8.119 1.00 0.00 ATOM 227 CG LYS 32 -17.140 -7.459 7.008 1.00 0.00 ATOM 228 CD LYS 32 -17.924 -8.671 7.487 1.00 0.00 ATOM 229 CE LYS 32 -18.808 -9.228 6.383 1.00 0.00 ATOM 230 NZ LYS 32 -19.597 -10.403 6.845 1.00 0.00 ATOM 231 O LYS 32 -16.540 -4.467 5.956 1.00 0.00 ATOM 232 C LYS 32 -16.313 -4.611 7.162 1.00 0.00 ATOM 233 N GLU 33 -16.897 -3.865 8.092 1.00 0.00 ATOM 234 CA GLU 33 -17.916 -2.880 7.793 1.00 0.00 ATOM 235 CB GLU 33 -19.281 -3.553 7.634 1.00 0.00 ATOM 236 CG GLU 33 -19.797 -4.216 8.902 1.00 0.00 ATOM 237 CD GLU 33 -21.109 -4.944 8.686 1.00 0.00 ATOM 238 OE1 GLU 33 -21.614 -4.931 7.544 1.00 0.00 ATOM 239 OE2 GLU 33 -21.633 -5.525 9.660 1.00 0.00 ATOM 240 O GLU 33 -17.648 -2.176 10.052 1.00 0.00 ATOM 241 C GLU 33 -17.987 -1.872 8.931 1.00 0.00 ATOM 242 N VAL 34 -18.475 -0.678 8.609 1.00 0.00 ATOM 243 CA VAL 34 -18.709 0.418 9.528 1.00 0.00 ATOM 244 CB VAL 34 -17.676 1.518 9.363 1.00 0.00 ATOM 245 CG1 VAL 34 -17.880 2.657 10.358 1.00 0.00 ATOM 246 CG2 VAL 34 -16.264 0.985 9.502 1.00 0.00 ATOM 247 O VAL 34 -20.476 1.326 8.152 1.00 0.00 ATOM 248 C VAL 34 -20.135 0.962 9.272 1.00 0.00 ATOM 249 N GLN 35 -20.959 0.964 10.323 1.00 0.00 ATOM 250 CA GLN 35 -22.321 1.334 10.160 1.00 0.00 ATOM 251 CB GLN 35 -23.130 0.961 11.404 1.00 0.00 ATOM 252 CG GLN 35 -24.609 1.298 11.306 1.00 0.00 ATOM 253 CD GLN 35 -25.400 0.797 12.498 1.00 0.00 ATOM 254 OE1 GLN 35 -24.856 0.134 13.383 1.00 0.00 ATOM 255 NE2 GLN 35 -26.689 1.115 12.527 1.00 0.00 ATOM 256 O GLN 35 -21.708 3.643 10.584 1.00 0.00 ATOM 257 C GLN 35 -22.434 2.851 9.938 1.00 0.00 ATOM 258 N LYS 36 -23.389 3.280 9.101 1.00 0.00 ATOM 259 CA LYS 36 -23.681 4.694 8.949 1.00 0.00 ATOM 260 CB LYS 36 -24.847 4.899 7.979 1.00 0.00 ATOM 261 CG LYS 36 -25.171 6.358 7.700 1.00 0.00 ATOM 262 CD LYS 36 -26.291 6.488 6.680 1.00 0.00 ATOM 263 CE LYS 36 -26.597 7.946 6.379 1.00 0.00 ATOM 264 NZ LYS 36 -27.711 8.090 5.402 1.00 0.00 ATOM 265 O LYS 36 -24.782 4.726 11.061 1.00 0.00 ATOM 266 C LYS 36 -24.059 5.342 10.254 1.00 0.00 ATOM 267 N GLY 37 -23.637 6.564 10.452 1.00 0.00 ATOM 268 CA GLY 37 -24.079 7.352 11.590 1.00 0.00 ATOM 269 O GLY 37 -24.344 7.069 13.948 1.00 0.00 ATOM 270 C GLY 37 -23.703 6.785 12.942 1.00 0.00 ATOM 271 N GLY 38 -22.630 5.999 12.964 1.00 0.00 ATOM 272 CA GLY 38 -22.113 5.366 14.193 1.00 0.00 ATOM 273 O GLY 38 -20.257 6.841 14.111 1.00 0.00 ATOM 274 C GLY 38 -20.925 6.057 14.803 1.00 0.00 ATOM 275 N PRO 39 -20.594 5.742 16.066 1.00 0.00 ATOM 276 CA PRO 39 -19.343 6.222 16.654 1.00 0.00 ATOM 277 CB PRO 39 -19.308 5.557 18.042 1.00 0.00 ATOM 278 CG PRO 39 -20.766 5.479 18.360 1.00 0.00 ATOM 279 CD PRO 39 -21.434 5.070 17.085 1.00 0.00 ATOM 280 O PRO 39 -17.198 6.604 15.650 1.00 0.00 ATOM 281 C PRO 39 -18.142 5.821 15.813 1.00 0.00 ATOM 282 N ALA 40 -18.156 4.605 15.310 1.00 0.00 ATOM 283 CA ALA 40 -17.018 4.118 14.520 1.00 0.00 ATOM 284 CB ALA 40 -17.246 2.674 14.135 1.00 0.00 ATOM 285 O ALA 40 -15.785 5.436 12.882 1.00 0.00 ATOM 286 C ALA 40 -16.883 5.017 13.253 1.00 0.00 ATOM 287 N ASP 41 -17.977 5.311 12.562 1.00 0.00 ATOM 288 CA ASP 41 -17.918 6.140 11.369 1.00 0.00 ATOM 289 CB ASP 41 -19.314 6.308 10.766 1.00 0.00 ATOM 290 CG ASP 41 -19.299 7.108 9.477 1.00 0.00 ATOM 291 OD1 ASP 41 -18.650 6.660 8.509 1.00 0.00 ATOM 292 OD2 ASP 41 -19.935 8.181 9.436 1.00 0.00 ATOM 293 O ASP 41 -16.477 8.053 11.055 1.00 0.00 ATOM 294 C ASP 41 -17.356 7.532 11.747 1.00 0.00 ATOM 295 N LEU 42 -17.870 8.120 12.822 1.00 0.00 ATOM 296 CA LEU 42 -17.417 9.447 13.228 1.00 0.00 ATOM 297 CB LEU 42 -18.172 9.913 14.474 1.00 0.00 ATOM 298 CG LEU 42 -19.659 10.221 14.289 1.00 0.00 ATOM 299 CD1 LEU 42 -20.319 10.510 15.629 1.00 0.00 ATOM 300 CD2 LEU 42 -19.851 11.435 13.394 1.00 0.00 ATOM 301 O LEU 42 -15.279 10.562 13.441 1.00 0.00 ATOM 302 C LEU 42 -15.925 9.522 13.569 1.00 0.00 ATOM 303 N ALA 43 -15.359 8.413 14.011 1.00 0.00 ATOM 304 CA ALA 43 -13.949 8.308 14.359 1.00 0.00 ATOM 305 CB ALA 43 -13.692 7.038 15.156 1.00 0.00 ATOM 306 O ALA 43 -11.810 8.409 13.355 1.00 0.00 ATOM 307 C ALA 43 -13.025 8.263 13.178 1.00 0.00 ATOM 308 N GLY 44 -13.587 8.036 11.996 1.00 0.00 ATOM 309 CA GLY 44 -12.810 7.918 10.744 1.00 0.00 ATOM 310 O GLY 44 -11.668 6.311 9.441 1.00 0.00 ATOM 311 C GLY 44 -12.411 6.509 10.375 1.00 0.00 ATOM 312 N LEU 45 -12.956 5.517 11.070 1.00 0.00 ATOM 313 CA LEU 45 -12.650 4.085 10.776 1.00 0.00 ATOM 314 CB LEU 45 -13.257 3.195 11.878 1.00 0.00 ATOM 315 CG LEU 45 -12.831 1.739 11.945 1.00 0.00 ATOM 316 CD1 LEU 45 -11.348 1.601 12.395 1.00 0.00 ATOM 317 CD2 LEU 45 -13.754 0.995 12.900 1.00 0.00 ATOM 318 O LEU 45 -14.379 4.173 9.100 1.00 0.00 ATOM 319 C LEU 45 -13.289 3.750 9.403 1.00 0.00 ATOM 320 N GLU 46 -12.602 2.930 8.617 1.00 0.00 ATOM 321 CA GLU 46 -13.032 2.500 7.297 1.00 0.00 ATOM 322 CB GLU 46 -12.169 3.151 6.214 1.00 0.00 ATOM 323 CG GLU 46 -12.293 4.664 6.149 1.00 0.00 ATOM 324 CD GLU 46 -11.434 5.272 5.057 1.00 0.00 ATOM 325 OE1 GLU 46 -10.703 4.515 4.385 1.00 0.00 ATOM 326 OE2 GLU 46 -11.489 6.507 4.875 1.00 0.00 ATOM 327 O GLU 46 -12.034 0.364 7.717 1.00 0.00 ATOM 328 C GLU 46 -12.927 1.004 7.127 1.00 0.00 ATOM 329 N ASP 47 -13.796 0.459 6.300 1.00 0.00 ATOM 330 CA ASP 47 -13.687 -0.936 5.915 1.00 0.00 ATOM 331 CB ASP 47 -14.718 -1.276 4.837 1.00 0.00 ATOM 332 CG ASP 47 -16.134 -1.315 5.376 1.00 0.00 ATOM 333 OD1 ASP 47 -16.300 -1.270 6.613 1.00 0.00 ATOM 334 OD2 ASP 47 -17.078 -1.387 4.563 1.00 0.00 ATOM 335 O ASP 47 -11.735 -0.448 4.598 1.00 0.00 ATOM 336 C ASP 47 -12.303 -1.254 5.359 1.00 0.00 ATOM 337 N GLU 48 -11.798 -2.426 5.750 1.00 0.00 ATOM 338 CA GLU 48 -10.507 -2.961 5.380 1.00 0.00 ATOM 339 CB GLU 48 -10.217 -2.690 3.902 1.00 0.00 ATOM 340 CG GLU 48 -11.174 -3.382 2.946 1.00 0.00 ATOM 341 CD GLU 48 -10.888 -3.052 1.495 1.00 0.00 ATOM 342 OE1 GLU 48 -10.846 -1.852 1.156 1.00 0.00 ATOM 343 OE2 GLU 48 -10.702 -3.995 0.696 1.00 0.00 ATOM 344 O GLU 48 -8.206 -2.845 6.008 1.00 0.00 ATOM 345 C GLU 48 -9.341 -2.373 6.163 1.00 0.00 ATOM 346 N ASP 49 -9.628 -1.452 7.070 1.00 0.00 ATOM 347 CA ASP 49 -8.578 -1.056 8.025 1.00 0.00 ATOM 348 CB ASP 49 -9.061 0.023 8.973 1.00 0.00 ATOM 349 CG ASP 49 -9.147 1.425 8.332 1.00 0.00 ATOM 350 OD1 ASP 49 -8.593 1.661 7.244 1.00 0.00 ATOM 351 OD2 ASP 49 -9.725 2.342 8.987 1.00 0.00 ATOM 352 O ASP 49 -8.959 -3.121 9.184 1.00 0.00 ATOM 353 C ASP 49 -8.137 -2.279 8.852 1.00 0.00 ATOM 354 N VAL 50 -6.858 -2.358 9.226 1.00 0.00 ATOM 355 CA VAL 50 -6.281 -3.410 10.049 1.00 0.00 ATOM 356 CB VAL 50 -5.029 -4.018 9.392 1.00 0.00 ATOM 357 CG1 VAL 50 -4.417 -5.081 10.291 1.00 0.00 ATOM 358 CG2 VAL 50 -5.385 -4.663 8.061 1.00 0.00 ATOM 359 O VAL 50 -5.184 -1.820 11.470 1.00 0.00 ATOM 360 C VAL 50 -5.883 -2.840 11.403 1.00 0.00 ATOM 361 N ILE 51 -6.291 -3.499 12.496 1.00 0.00 ATOM 362 CA ILE 51 -6.017 -3.039 13.841 1.00 0.00 ATOM 363 CB ILE 51 -7.015 -3.593 14.839 1.00 0.00 ATOM 364 CG1 ILE 51 -8.438 -3.103 14.549 1.00 0.00 ATOM 365 CG2 ILE 51 -6.588 -3.249 16.250 1.00 0.00 ATOM 366 CD1 ILE 51 -9.528 -3.699 15.452 1.00 0.00 ATOM 367 O ILE 51 -4.246 -4.579 14.271 1.00 0.00 ATOM 368 C ILE 51 -4.593 -3.408 14.225 1.00 0.00 ATOM 369 N ILE 52 -3.785 -2.404 14.583 1.00 0.00 ATOM 370 CA ILE 52 -2.422 -2.666 15.042 1.00 0.00 ATOM 371 CB ILE 52 -1.400 -1.767 14.321 1.00 0.00 ATOM 372 CG1 ILE 52 -1.348 -2.110 12.830 1.00 0.00 ATOM 373 CG2 ILE 52 -0.012 -1.961 14.909 1.00 0.00 ATOM 374 CD1 ILE 52 -0.546 -1.128 12.005 1.00 0.00 ATOM 375 O ILE 52 -1.398 -3.040 17.156 1.00 0.00 ATOM 376 C ILE 52 -2.255 -2.414 16.539 1.00 0.00 ATOM 377 N GLU 53 -3.072 -1.526 17.138 1.00 0.00 ATOM 378 CA GLU 53 -3.079 -1.348 18.603 1.00 0.00 ATOM 379 CB GLU 53 -2.224 -0.175 19.108 1.00 0.00 ATOM 380 CG GLU 53 -0.779 -0.194 18.701 1.00 0.00 ATOM 381 CD GLU 53 0.072 0.950 19.229 1.00 0.00 ATOM 382 OE1 GLU 53 -0.468 1.872 19.910 1.00 0.00 ATOM 383 OE2 GLU 53 1.277 0.914 18.910 1.00 0.00 ATOM 384 O GLU 53 -5.330 -0.577 18.391 1.00 0.00 ATOM 385 C GLU 53 -4.509 -1.150 19.089 1.00 0.00 ATOM 386 N VAL 54 -4.794 -1.623 20.295 1.00 0.00 ATOM 387 CA VAL 54 -6.016 -1.335 21.035 1.00 0.00 ATOM 388 CB VAL 54 -6.887 -2.584 21.273 1.00 0.00 ATOM 389 CG1 VAL 54 -8.073 -2.220 22.154 1.00 0.00 ATOM 390 CG2 VAL 54 -7.313 -3.235 19.979 1.00 0.00 ATOM 391 O VAL 54 -4.909 -1.250 23.116 1.00 0.00 ATOM 392 C VAL 54 -5.631 -0.683 22.350 1.00 0.00 ATOM 393 N ASN 55 -6.070 0.542 22.562 1.00 0.00 ATOM 394 CA ASN 55 -5.773 1.261 23.774 1.00 0.00 ATOM 395 CB ASN 55 -6.596 0.719 24.932 1.00 0.00 ATOM 396 CG ASN 55 -8.077 0.790 24.681 1.00 0.00 ATOM 397 ND2 ASN 55 -8.810 -0.225 25.200 1.00 0.00 ATOM 398 OD1 ASN 55 -8.584 1.731 24.002 1.00 0.00 ATOM 399 O ASN 55 -3.813 1.107 25.205 1.00 0.00 ATOM 400 C ASN 55 -4.271 1.233 24.062 1.00 0.00 ATOM 401 N GLY 56 -3.497 1.424 23.014 1.00 0.00 ATOM 402 CA GLY 56 -2.058 1.542 23.105 1.00 0.00 ATOM 403 O GLY 56 -0.047 0.278 23.296 1.00 0.00 ATOM 404 C GLY 56 -1.288 0.253 23.229 1.00 0.00 ATOM 405 N VAL 57 -1.985 -0.878 23.225 1.00 0.00 ATOM 406 CA VAL 57 -1.335 -2.165 23.347 1.00 0.00 ATOM 407 CB VAL 57 -2.156 -3.069 24.255 1.00 0.00 ATOM 408 CG1 VAL 57 -1.478 -4.424 24.447 1.00 0.00 ATOM 409 CG2 VAL 57 -2.360 -2.441 25.652 1.00 0.00 ATOM 410 O VAL 57 -2.137 -2.878 21.172 1.00 0.00 ATOM 411 C VAL 57 -1.167 -2.791 21.956 1.00 0.00 ATOM 412 N ASN 58 0.037 -3.255 21.646 1.00 0.00 ATOM 413 CA ASN 58 0.305 -3.918 20.388 1.00 0.00 ATOM 414 CB ASN 58 1.777 -4.331 20.303 1.00 0.00 ATOM 415 CG ASN 58 2.707 -3.144 20.159 1.00 0.00 ATOM 416 ND2 ASN 58 3.983 -3.353 20.468 1.00 0.00 ATOM 417 OD1 ASN 58 2.285 -2.054 19.775 1.00 0.00 ATOM 418 O ASN 58 -0.594 -6.057 21.059 1.00 0.00 ATOM 419 C ASN 58 -0.526 -5.186 20.176 1.00 0.00 ATOM 420 N VAL 59 -1.195 -5.291 19.035 1.00 0.00 ATOM 421 CA VAL 59 -2.007 -6.476 18.731 1.00 0.00 ATOM 422 CB VAL 59 -3.327 -6.093 18.035 1.00 0.00 ATOM 423 CG1 VAL 59 -4.170 -5.212 18.942 1.00 0.00 ATOM 424 CG2 VAL 59 -3.050 -5.332 16.749 1.00 0.00 ATOM 425 O VAL 59 -1.919 -8.391 17.314 1.00 0.00 ATOM 426 C VAL 59 -1.304 -7.473 17.804 1.00 0.00 ATOM 427 N LEU 60 -0.018 -7.313 17.551 1.00 0.00 ATOM 428 CA LEU 60 0.681 -8.256 16.674 1.00 0.00 ATOM 429 CB LEU 60 2.144 -7.844 16.498 1.00 0.00 ATOM 430 CG LEU 60 2.977 -8.693 15.536 1.00 0.00 ATOM 431 CD1 LEU 60 2.462 -8.552 14.112 1.00 0.00 ATOM 432 CD2 LEU 60 4.434 -8.259 15.561 1.00 0.00 ATOM 433 O LEU 60 0.910 -9.827 18.478 1.00 0.00 ATOM 434 C LEU 60 0.631 -9.653 17.283 1.00 0.00 ATOM 435 N ASP 61 0.237 -10.618 16.455 1.00 0.00 ATOM 436 CA ASP 61 0.150 -12.010 16.860 1.00 0.00 ATOM 437 CB ASP 61 1.300 -12.368 17.803 1.00 0.00 ATOM 438 CG ASP 61 2.661 -12.136 17.176 1.00 0.00 ATOM 439 OD1 ASP 61 2.862 -12.562 16.019 1.00 0.00 ATOM 440 OD2 ASP 61 3.526 -11.528 17.841 1.00 0.00 ATOM 441 O ASP 61 -1.313 -13.579 17.856 1.00 0.00 ATOM 442 C ASP 61 -1.094 -12.390 17.578 1.00 0.00 ATOM 443 N GLU 62 -1.944 -11.405 17.872 1.00 0.00 ATOM 444 CA GLU 62 -3.163 -11.677 18.599 1.00 0.00 ATOM 445 CB GLU 62 -3.659 -10.413 19.304 1.00 0.00 ATOM 446 CG GLU 62 -2.729 -9.903 20.391 1.00 0.00 ATOM 447 CD GLU 62 -3.268 -8.670 21.090 1.00 0.00 ATOM 448 OE1 GLU 62 -4.352 -8.193 20.697 1.00 0.00 ATOM 449 OE2 GLU 62 -2.606 -8.183 22.031 1.00 0.00 ATOM 450 O GLU 62 -4.520 -11.575 16.586 1.00 0.00 ATOM 451 C GLU 62 -4.264 -12.161 17.664 1.00 0.00 ATOM 452 N PRO 63 -4.940 -13.204 18.124 1.00 0.00 ATOM 453 CA PRO 63 -6.002 -13.788 17.367 1.00 0.00 ATOM 454 CB PRO 63 -6.088 -15.222 17.894 1.00 0.00 ATOM 455 CG PRO 63 -5.669 -15.121 19.323 1.00 0.00 ATOM 456 CD PRO 63 -4.578 -14.089 19.364 1.00 0.00 ATOM 457 O PRO 63 -7.414 -12.153 18.432 1.00 0.00 ATOM 458 C PRO 63 -7.314 -13.036 17.583 1.00 0.00 ATOM 459 N TYR 64 -8.304 -13.368 16.794 1.00 0.00 ATOM 460 CA TYR 64 -9.591 -12.650 16.820 1.00 0.00 ATOM 461 CB TYR 64 -10.656 -13.432 16.050 1.00 0.00 ATOM 462 CG TYR 64 -12.026 -12.793 16.078 1.00 0.00 ATOM 463 CD1 TYR 64 -12.339 -11.743 15.222 1.00 0.00 ATOM 464 CD2 TYR 64 -13.002 -13.239 16.959 1.00 0.00 ATOM 465 CE1 TYR 64 -13.587 -11.152 15.240 1.00 0.00 ATOM 466 CE2 TYR 64 -14.256 -12.661 16.991 1.00 0.00 ATOM 467 CZ TYR 64 -14.543 -11.608 16.121 1.00 0.00 ATOM 468 OH TYR 64 -15.788 -11.021 16.141 1.00 0.00 ATOM 469 O TYR 64 -10.507 -11.326 18.568 1.00 0.00 ATOM 470 C TYR 64 -10.135 -12.426 18.188 1.00 0.00 ATOM 471 N GLU 65 -10.250 -13.508 18.959 1.00 0.00 ATOM 472 CA GLU 65 -10.859 -13.425 20.282 1.00 0.00 ATOM 473 CB GLU 65 -10.975 -14.816 20.908 1.00 0.00 ATOM 474 CG GLU 65 -12.019 -15.706 20.253 1.00 0.00 ATOM 475 CD GLU 65 -12.039 -17.105 20.834 1.00 0.00 ATOM 476 OE1 GLU 65 -11.192 -17.400 21.703 1.00 0.00 ATOM 477 OE2 GLU 65 -12.905 -17.907 20.424 1.00 0.00 ATOM 478 O GLU 65 -10.626 -11.979 22.142 1.00 0.00 ATOM 479 C GLU 65 -10.059 -12.566 21.238 1.00 0.00 ATOM 480 N LYS 66 -8.733 -12.551 21.085 1.00 0.00 ATOM 481 CA LYS 66 -7.853 -11.766 21.965 1.00 0.00 ATOM 482 CB LYS 66 -6.389 -12.153 21.744 1.00 0.00 ATOM 483 CG LYS 66 -5.412 -11.434 22.659 1.00 0.00 ATOM 484 CD LYS 66 -3.991 -11.933 22.449 1.00 0.00 ATOM 485 CE LYS 66 -3.010 -11.197 23.347 1.00 0.00 ATOM 486 NZ LYS 66 -1.610 -11.661 23.137 1.00 0.00 ATOM 487 O LYS 66 -7.998 -9.412 22.520 1.00 0.00 ATOM 488 C LYS 66 -8.041 -10.259 21.641 1.00 0.00 ATOM 489 N VAL 67 -8.168 -9.906 20.354 1.00 0.00 ATOM 490 CA VAL 67 -8.426 -8.498 19.994 1.00 0.00 ATOM 491 CB VAL 67 -8.230 -8.291 18.493 1.00 0.00 ATOM 492 CG1 VAL 67 -8.518 -6.844 18.147 1.00 0.00 ATOM 493 CG2 VAL 67 -6.817 -8.701 18.068 1.00 0.00 ATOM 494 O VAL 67 -9.946 -6.985 21.010 1.00 0.00 ATOM 495 C VAL 67 -9.804 -8.077 20.456 1.00 0.00 ATOM 496 N VAL 68 -10.824 -8.907 20.278 1.00 0.00 ATOM 497 CA VAL 68 -12.181 -8.595 20.793 1.00 0.00 ATOM 498 CB VAL 68 -13.169 -9.745 20.438 1.00 0.00 ATOM 499 CG1 VAL 68 -14.454 -9.566 21.186 1.00 0.00 ATOM 500 CG2 VAL 68 -13.318 -9.761 18.935 1.00 0.00 ATOM 501 O VAL 68 -12.693 -7.442 22.833 1.00 0.00 ATOM 502 C VAL 68 -12.137 -8.390 22.316 1.00 0.00 ATOM 503 N ASP 69 -11.426 -9.262 23.027 1.00 0.00 ATOM 504 CA ASP 69 -11.308 -9.130 24.483 1.00 0.00 ATOM 505 CB ASP 69 -10.477 -10.279 25.059 1.00 0.00 ATOM 506 CG ASP 69 -11.223 -11.599 25.051 1.00 0.00 ATOM 507 OD1 ASP 69 -12.452 -11.585 24.827 1.00 0.00 ATOM 508 OD2 ASP 69 -10.579 -12.646 25.270 1.00 0.00 ATOM 509 O ASP 69 -11.071 -7.175 25.857 1.00 0.00 ATOM 510 C ASP 69 -10.636 -7.835 24.891 1.00 0.00 ATOM 511 N ARG 70 -9.555 -7.478 24.186 1.00 0.00 ATOM 512 CA ARG 70 -8.870 -6.235 24.470 1.00 0.00 ATOM 513 CB ARG 70 -7.681 -6.050 23.524 1.00 0.00 ATOM 514 CG ARG 70 -6.586 -7.090 23.692 1.00 0.00 ATOM 515 CD ARG 70 -5.885 -6.941 25.032 1.00 0.00 ATOM 516 NE ARG 70 -4.755 -7.858 25.164 1.00 0.00 ATOM 517 CZ ARG 70 -4.050 -8.019 26.279 1.00 0.00 ATOM 518 NH1 ARG 70 -3.037 -8.875 26.306 1.00 0.00 ATOM 519 NH2 ARG 70 -4.357 -7.322 27.365 1.00 0.00 ATOM 520 O ARG 70 -9.922 -4.153 25.082 1.00 0.00 ATOM 521 C ARG 70 -9.860 -5.069 24.280 1.00 0.00 ATOM 522 N ILE 71 -10.646 -5.089 23.209 1.00 0.00 ATOM 523 CA ILE 71 -11.633 -4.007 22.975 1.00 0.00 ATOM 524 CB ILE 71 -12.297 -4.127 21.576 1.00 0.00 ATOM 525 CG1 ILE 71 -11.225 -3.882 20.496 1.00 0.00 ATOM 526 CG2 ILE 71 -13.498 -3.132 21.455 1.00 0.00 ATOM 527 CD1 ILE 71 -11.693 -4.298 19.098 1.00 0.00 ATOM 528 O ILE 71 -12.945 -2.905 24.678 1.00 0.00 ATOM 529 C ILE 71 -12.664 -3.955 24.102 1.00 0.00 ATOM 530 N GLN 72 -13.146 -5.129 24.512 1.00 0.00 ATOM 531 CA GLN 72 -14.226 -5.195 25.511 1.00 0.00 ATOM 532 CB GLN 72 -14.733 -6.631 25.658 1.00 0.00 ATOM 533 CG GLN 72 -15.500 -7.147 24.451 1.00 0.00 ATOM 534 CD GLN 72 -15.930 -8.591 24.606 1.00 0.00 ATOM 535 OE1 GLN 72 -15.623 -9.237 25.609 1.00 0.00 ATOM 536 NE2 GLN 72 -16.648 -9.104 23.613 1.00 0.00 ATOM 537 O GLN 72 -14.474 -4.061 27.609 1.00 0.00 ATOM 538 C GLN 72 -13.718 -4.719 26.861 1.00 0.00 ATOM 539 N SER 73 -12.454 -5.015 27.143 1.00 0.00 ATOM 540 CA SER 73 -11.817 -4.668 28.433 1.00 0.00 ATOM 541 CB SER 73 -10.384 -5.200 28.485 1.00 0.00 ATOM 542 OG SER 73 -9.562 -4.547 27.533 1.00 0.00 ATOM 543 O SER 73 -11.608 -2.759 29.866 1.00 0.00 ATOM 544 C SER 73 -11.734 -3.172 28.701 1.00 0.00 ATOM 545 N SER 74 -11.778 -2.363 27.642 1.00 0.00 ATOM 546 CA SER 74 -11.818 -0.903 27.785 1.00 0.00 ATOM 547 CB SER 74 -11.409 -0.226 26.474 1.00 0.00 ATOM 548 OG SER 74 -12.363 -0.472 25.455 1.00 0.00 ATOM 549 O SER 74 -13.348 0.904 28.249 1.00 0.00 ATOM 550 C SER 74 -13.181 -0.316 28.152 1.00 0.00 ATOM 551 N GLY 75 -14.190 -1.147 28.329 1.00 0.00 ATOM 552 CA GLY 75 -15.458 -0.658 28.815 1.00 0.00 ATOM 553 O GLY 75 -16.595 -0.671 26.697 1.00 0.00 ATOM 554 C GLY 75 -16.282 -0.016 27.722 1.00 0.00 ATOM 555 N LYS 76 -16.629 1.262 27.918 1.00 0.00 ATOM 556 CA LYS 76 -17.499 1.945 26.992 1.00 0.00 ATOM 557 CB LYS 76 -18.424 2.909 27.738 1.00 0.00 ATOM 558 CG LYS 76 -19.386 2.229 28.697 1.00 0.00 ATOM 559 CD LYS 76 -20.278 3.242 29.395 1.00 0.00 ATOM 560 CE LYS 76 -21.201 2.569 30.399 1.00 0.00 ATOM 561 NZ LYS 76 -22.113 3.543 31.058 1.00 0.00 ATOM 562 O LYS 76 -17.354 3.400 25.142 1.00 0.00 ATOM 563 C LYS 76 -16.731 2.762 25.957 1.00 0.00 ATOM 564 N ASN 77 -15.411 2.737 26.007 1.00 0.00 ATOM 565 CA ASN 77 -14.578 3.476 25.019 1.00 0.00 ATOM 566 CB ASN 77 -13.898 4.676 25.683 1.00 0.00 ATOM 567 CG ASN 77 -14.892 5.696 26.202 1.00 0.00 ATOM 568 ND2 ASN 77 -15.035 5.764 27.520 1.00 0.00 ATOM 569 OD1 ASN 77 -15.521 6.414 25.424 1.00 0.00 ATOM 570 O ASN 77 -13.059 1.640 25.102 1.00 0.00 ATOM 571 C ASN 77 -13.503 2.582 24.442 1.00 0.00 ATOM 572 N VAL 78 -13.093 2.843 23.190 1.00 0.00 ATOM 573 CA VAL 78 -11.920 2.170 22.642 1.00 0.00 ATOM 574 CB VAL 78 -12.316 0.956 21.782 1.00 0.00 ATOM 575 CG1 VAL 78 -13.023 -0.090 22.628 1.00 0.00 ATOM 576 CG2 VAL 78 -13.253 1.381 20.661 1.00 0.00 ATOM 577 O VAL 78 -11.742 4.017 21.182 1.00 0.00 ATOM 578 C VAL 78 -11.141 3.137 21.777 1.00 0.00 ATOM 579 N THR 79 -9.832 2.903 21.677 1.00 0.00 ATOM 580 CA THR 79 -8.927 3.675 20.818 1.00 0.00 ATOM 581 CB THR 79 -7.898 4.465 21.647 1.00 0.00 ATOM 582 CG2 THR 79 -6.993 5.280 20.737 1.00 0.00 ATOM 583 OG1 THR 79 -8.580 5.354 22.540 1.00 0.00 ATOM 584 O THR 79 -7.370 1.942 20.384 1.00 0.00 ATOM 585 C THR 79 -8.208 2.684 19.921 1.00 0.00 ATOM 586 N LEU 80 -8.559 2.637 18.635 1.00 0.00 ATOM 587 CA LEU 80 -7.955 1.688 17.694 1.00 0.00 ATOM 588 CB LEU 80 -9.076 1.173 16.748 1.00 0.00 ATOM 589 CG LEU 80 -10.276 0.485 17.386 1.00 0.00 ATOM 590 CD1 LEU 80 -11.186 -0.120 16.314 1.00 0.00 ATOM 591 CD2 LEU 80 -9.795 -0.589 18.411 1.00 0.00 ATOM 592 O LEU 80 -7.254 3.368 16.167 1.00 0.00 ATOM 593 C LEU 80 -6.918 2.398 16.831 1.00 0.00 ATOM 594 N LEU 81 -5.674 1.947 16.858 1.00 0.00 ATOM 595 CA LEU 81 -4.654 2.402 15.908 1.00 0.00 ATOM 596 CB LEU 81 -3.236 2.404 16.488 1.00 0.00 ATOM 597 CG LEU 81 -2.205 3.198 15.690 1.00 0.00 ATOM 598 CD1 LEU 81 -2.473 4.697 15.738 1.00 0.00 ATOM 599 CD2 LEU 81 -0.821 2.871 16.242 1.00 0.00 ATOM 600 O LEU 81 -4.630 0.242 14.899 1.00 0.00 ATOM 601 C LEU 81 -4.739 1.462 14.726 1.00 0.00 ATOM 602 N VAL 82 -4.981 2.038 13.550 1.00 0.00 ATOM 603 CA VAL 82 -5.221 1.250 12.343 1.00 0.00 ATOM 604 CB VAL 82 -6.691 1.305 11.915 1.00 0.00 ATOM 605 CG1 VAL 82 -7.598 0.824 13.063 1.00 0.00 ATOM 606 CG2 VAL 82 -7.101 2.696 11.400 1.00 0.00 ATOM 607 O VAL 82 -3.877 2.802 11.082 1.00 0.00 ATOM 608 C VAL 82 -4.317 1.646 11.192 1.00 0.00 ATOM 609 N CYS 83 -4.090 0.703 10.312 1.00 0.00 ATOM 610 CA CYS 83 -3.409 0.968 9.048 1.00 0.00 ATOM 611 CB CYS 83 -2.056 0.256 9.011 1.00 0.00 ATOM 612 SG CYS 83 -2.159 -1.549 9.049 1.00 0.00 ATOM 613 O CYS 83 -5.145 -0.378 8.097 1.00 0.00 ATOM 614 C CYS 83 -4.267 0.461 7.898 1.00 0.00 ATOM 615 N GLY 84 -3.940 0.858 6.671 1.00 0.00 ATOM 616 CA GLY 84 -4.718 0.505 5.536 1.00 0.00 ATOM 617 O GLY 84 -4.491 -0.475 3.391 1.00 0.00 ATOM 618 C GLY 84 -3.951 -0.222 4.450 1.00 0.00 ATOM 619 N LYS 85 -2.738 -0.676 4.741 1.00 0.00 ATOM 620 CA LYS 85 -1.932 -1.412 3.758 1.00 0.00 ATOM 621 CB LYS 85 -1.127 -0.442 2.890 1.00 0.00 ATOM 622 CG LYS 85 -0.074 0.347 3.653 1.00 0.00 ATOM 623 CD LYS 85 0.673 1.301 2.736 1.00 0.00 ATOM 624 CE LYS 85 1.700 2.115 3.504 1.00 0.00 ATOM 625 NZ LYS 85 2.500 2.991 2.605 1.00 0.00 ATOM 626 O LYS 85 -0.843 -2.199 5.693 1.00 0.00 ATOM 627 C LYS 85 -0.991 -2.319 4.482 1.00 0.00 ATOM 628 N LYS 86 -0.275 -3.192 3.754 1.00 0.00 ATOM 629 CA LYS 86 0.718 -4.045 4.424 1.00 0.00 ATOM 630 CB LYS 86 1.282 -5.080 3.448 1.00 0.00 ATOM 631 CG LYS 86 0.270 -6.118 2.992 1.00 0.00 ATOM 632 CD LYS 86 0.904 -7.133 2.054 1.00 0.00 ATOM 633 CE LYS 86 -0.106 -8.174 1.601 1.00 0.00 ATOM 634 NZ LYS 86 0.503 -9.179 0.688 1.00 0.00 ATOM 635 O LYS 86 2.183 -2.136 4.404 1.00 0.00 ATOM 636 C LYS 86 1.856 -3.179 4.941 1.00 0.00 ATOM 637 N ALA 87 2.380 -3.608 6.074 1.00 0.00 ATOM 638 CA ALA 87 3.446 -2.908 6.747 1.00 0.00 ATOM 639 CB ALA 87 2.993 -2.454 8.126 1.00 0.00 ATOM 640 O ALA 87 5.674 -3.288 7.410 1.00 0.00 ATOM 641 C ALA 87 4.671 -3.779 6.928 1.00 0.00 ATOM 642 N GLN 88 4.619 -5.050 6.571 1.00 0.00 ATOM 643 CA GLN 88 5.816 -5.910 6.688 1.00 0.00 ATOM 644 CB GLN 88 5.842 -6.611 8.047 1.00 0.00 ATOM 645 CG GLN 88 7.085 -7.451 8.289 1.00 0.00 ATOM 646 CD GLN 88 7.107 -8.074 9.672 1.00 0.00 ATOM 647 OE1 GLN 88 6.174 -7.905 10.455 1.00 0.00 ATOM 648 NE2 GLN 88 8.177 -8.800 9.974 1.00 0.00 ATOM 649 O GLN 88 4.756 -7.555 5.301 1.00 0.00 ATOM 650 C GLN 88 5.788 -6.958 5.590 1.00 0.00 ATOM 651 N ASP 89 6.961 -7.247 5.025 1.00 0.00 ATOM 652 CA ASP 89 7.095 -8.244 3.973 1.00 0.00 ATOM 653 CB ASP 89 7.047 -7.580 2.596 1.00 0.00 ATOM 654 CG ASP 89 5.678 -7.013 2.272 1.00 0.00 ATOM 655 OD1 ASP 89 4.738 -7.809 2.069 1.00 0.00 ATOM 656 OD2 ASP 89 5.547 -5.771 2.219 1.00 0.00 ATOM 657 O ASP 89 9.421 -8.328 4.381 1.00 0.00 ATOM 658 C ASP 89 8.408 -8.959 4.121 1.00 0.00 ATOM 659 N THR 90 8.370 -10.271 3.957 1.00 0.00 ATOM 660 CA THR 90 9.570 -11.105 3.917 1.00 0.00 ATOM 661 CB THR 90 9.289 -12.524 4.448 1.00 0.00 ATOM 662 CG2 THR 90 10.545 -13.379 4.371 1.00 0.00 ATOM 663 OG1 THR 90 8.862 -12.449 5.814 1.00 0.00 ATOM 664 O THR 90 9.258 -11.525 1.570 1.00 0.00 ATOM 665 C THR 90 10.043 -11.204 2.483 1.00 0.00 ATOM 666 N VAL 91 11.352 -11.021 2.281 1.00 0.00 ATOM 667 CA VAL 91 11.959 -10.994 0.952 1.00 0.00 ATOM 668 CB VAL 91 12.417 -9.572 0.570 1.00 0.00 ATOM 669 CG1 VAL 91 11.215 -8.684 0.287 1.00 0.00 ATOM 670 CG2 VAL 91 13.221 -8.950 1.701 1.00 0.00 ATOM 671 O VAL 91 13.716 -12.325 1.944 1.00 0.00 ATOM 672 C VAL 91 13.203 -11.923 0.891 1.00 0.00 TER END