PFRMAT TS TARGET T0468 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment settings on the SAM alignment software. METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD The SAM HMMs came up with only weak hits for this taret (best was METHOD 1xyiA with E-value 19.3), and those hits did not seem to lead to good METHOD full-length models, so I ended up working mainly with metaserver METHOD models. The BAKER-ROBETTA_TS5 model turned out to be the one I liked METHOD best and used most heavily in creating my models. METHOD METHOD Since T0467 and T0468 are quite similar sequences, I tried to find METHOD similar folds for both targets. I also tried using one of my favorite METHOD T0467 models as a template, but I did not get anything very useful that way. METHOD METHOD METHOD Model METHOD 1 T0468.try2-opt3.gromacs0.repack-nonPC.pdb # < MQAU1-opt3 < BAKER-ROBETTA_TS5 METHOD # best rosetta energy METHOD METHOD 2 T0468.try9-opt3.pdb # < chimera-try2-N34-Y35-try6 METHOD chimera-try2-N34-Y35-try6: METHOD M1-N34 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD Y35-K109 from T0468.try6-opt3.pdb METHOD try6-opt3 < try5-opt3.gromacs0 < align(1iv7A?) METHOD METHOD 3 T0468.try10-opt3.gromacs0.repack-nonPC.pdb # < chimera-try2-F51-R52-try6 METHOD chimera-try2-F51-R52-try6: METHOD M1-F51 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD R52-K109 from T0468.try6-opt3.pdb METHOD METHOD 4 T0468.try3-opt3.pdb # < align(1tupA+1yliA+1bqk+2uurA+1vpmA) METHOD METHOD 5 T0468.try4-opt3.pdb # < align(1vpmA?) METHOD REMARK 6 REMARK 6 T0468 model 2 Thu Jul 24 13:25:58 2008 MODEL 2 PARENT 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A REMARK 7 REMARK 7 ALLPARENTS 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A 1nfi_E 1nb5_I REMARK 7 ALLPARENTS 1fy7_A 1a87_A 1xyi_A 2bw2_A 1bb8 1c8c_A 3bdu_A REMARK 7 ALLPARENTS 2ra2_A 1azp_A 2z1c_A ATOM 1 N MET 1 15.630 35.163 40.593 1.00 0.00 ATOM 2 CA MET 1 14.968 35.814 39.481 1.00 0.00 ATOM 3 CB MET 1 15.644 37.147 39.171 1.00 0.00 ATOM 4 CG MET 1 14.931 37.986 38.118 1.00 0.00 ATOM 5 SD MET 1 15.724 39.584 37.850 1.00 0.00 ATOM 6 CE MET 1 17.194 39.089 36.957 1.00 0.00 ATOM 7 O MET 1 16.048 34.489 37.788 1.00 0.00 ATOM 8 C MET 1 14.986 34.885 38.264 1.00 0.00 ATOM 9 N GLU 2 13.779 34.604 37.827 1.00 0.00 ATOM 10 CA GLU 2 13.423 33.803 36.642 1.00 0.00 ATOM 11 CB GLU 2 11.903 33.684 36.513 1.00 0.00 ATOM 12 CG GLU 2 11.252 32.794 37.564 1.00 0.00 ATOM 13 CD GLU 2 9.754 32.815 37.446 1.00 0.00 ATOM 14 OE1 GLU 2 9.252 33.549 36.629 1.00 0.00 ATOM 15 OE2 GLU 2 9.114 32.019 38.093 1.00 0.00 ATOM 16 O GLU 2 14.551 33.717 34.526 1.00 0.00 ATOM 17 C GLU 2 14.059 34.428 35.404 1.00 0.00 ATOM 18 N ARG 3 14.047 35.755 35.336 1.00 0.00 ATOM 19 CA ARG 3 14.629 36.467 34.187 1.00 0.00 ATOM 20 CB ARG 3 14.224 37.933 34.162 1.00 0.00 ATOM 21 CG ARG 3 14.782 38.731 32.995 1.00 0.00 ATOM 22 CD ARG 3 14.353 40.154 32.966 1.00 0.00 ATOM 23 NE ARG 3 14.915 40.931 31.874 1.00 0.00 ATOM 24 CZ ARG 3 14.660 42.234 31.649 1.00 0.00 ATOM 25 NH1 ARG 3 13.823 42.902 32.414 1.00 0.00 ATOM 26 NH2 ARG 3 15.254 42.820 30.624 1.00 0.00 ATOM 27 O ARG 3 16.774 36.549 35.260 1.00 0.00 ATOM 28 C ARG 3 16.149 36.356 34.215 1.00 0.00 ATOM 29 N ALA 4 16.744 36.047 33.068 1.00 0.00 ATOM 30 CA ALA 4 18.191 35.918 32.978 1.00 0.00 ATOM 31 CB ALA 4 18.393 35.222 31.653 1.00 0.00 ATOM 32 O ALA 4 18.568 38.129 32.131 1.00 0.00 ATOM 33 C ALA 4 18.876 37.277 32.966 1.00 0.00 ATOM 34 N SER 5 19.807 37.480 33.893 1.00 0.00 ATOM 35 CA SER 5 20.530 38.745 33.972 1.00 0.00 ATOM 36 CB SER 5 20.884 39.027 35.420 1.00 0.00 ATOM 37 OG SER 5 21.722 40.145 35.546 1.00 0.00 ATOM 38 O SER 5 22.533 37.695 33.164 1.00 0.00 ATOM 39 C SER 5 21.730 38.621 33.037 1.00 0.00 ATOM 40 N LEU 6 21.852 39.555 32.099 1.00 0.00 ATOM 41 CA LEU 6 22.962 39.537 31.153 1.00 0.00 ATOM 42 CB LEU 6 22.450 40.275 29.903 1.00 0.00 ATOM 43 CG LEU 6 23.410 40.203 28.724 1.00 0.00 ATOM 44 CD1 LEU 6 23.452 38.767 28.244 1.00 0.00 ATOM 45 CD2 LEU 6 22.924 41.085 27.576 1.00 0.00 ATOM 46 O LEU 6 24.008 41.394 32.284 1.00 0.00 ATOM 47 C LEU 6 24.151 40.271 31.802 1.00 0.00 ATOM 48 N ASN 7 25.282 39.588 31.859 1.00 0.00 ATOM 49 CA ASN 7 26.521 40.123 32.461 1.00 0.00 ATOM 50 CB ASN 7 26.768 39.515 33.828 1.00 0.00 ATOM 51 CG ASN 7 25.718 39.868 34.846 1.00 0.00 ATOM 52 ND2 ASN 7 24.945 38.883 35.223 1.00 0.00 ATOM 53 OD1 ASN 7 25.658 41.000 35.338 1.00 0.00 ATOM 54 O ASN 7 27.767 38.986 30.763 1.00 0.00 ATOM 55 C ASN 7 27.756 39.892 31.586 1.00 0.00 ATOM 56 N ARG 8 28.730 40.785 31.701 1.00 0.00 ATOM 57 CA ARG 8 29.900 40.774 30.814 1.00 0.00 ATOM 58 CB ARG 8 30.591 42.152 30.806 1.00 0.00 ATOM 59 CG ARG 8 31.668 42.193 29.723 1.00 0.00 ATOM 60 CD ARG 8 32.368 43.529 29.574 1.00 0.00 ATOM 61 NE ARG 8 31.427 44.571 29.127 1.00 0.00 ATOM 62 CZ ARG 8 31.702 45.857 29.207 1.00 0.00 ATOM 63 NH1 ARG 8 32.809 46.266 29.768 1.00 0.00 ATOM 64 NH2 ARG 8 30.837 46.732 28.767 1.00 0.00 ATOM 65 O ARG 8 31.121 39.415 32.390 1.00 0.00 ATOM 66 C ARG 8 30.875 39.659 31.215 1.00 0.00 ATOM 67 N ILE 9 31.432 39.069 30.183 1.00 0.00 ATOM 68 CA ILE 9 32.492 38.065 30.327 1.00 0.00 ATOM 69 CB ILE 9 31.878 36.658 30.513 1.00 0.00 ATOM 70 CG1 ILE 9 32.974 35.685 30.946 1.00 0.00 ATOM 71 CG2 ILE 9 31.164 36.171 29.248 1.00 0.00 ATOM 72 CD1 ILE 9 32.439 34.383 31.503 1.00 0.00 ATOM 73 O ILE 9 33.097 38.806 28.121 1.00 0.00 ATOM 74 C ILE 9 33.446 38.202 29.135 1.00 0.00 ATOM 75 N GLY 10 34.665 37.726 29.348 1.00 0.00 ATOM 76 CA GLY 10 35.710 37.793 28.316 1.00 0.00 ATOM 77 O GLY 10 35.723 40.188 28.435 1.00 0.00 ATOM 78 C GLY 10 35.765 39.187 27.689 1.00 0.00 ATOM 79 N LYS 11 35.814 39.256 26.399 1.00 0.00 ATOM 80 CA LYS 11 36.004 40.515 25.667 1.00 0.00 ATOM 81 CB LYS 11 36.417 40.370 24.258 1.00 0.00 ATOM 82 CG LYS 11 37.810 39.810 24.109 1.00 0.00 ATOM 83 CD LYS 11 38.833 40.661 24.839 1.00 0.00 ATOM 84 CE LYS 11 40.204 39.981 24.832 1.00 0.00 ATOM 85 NZ LYS 11 41.194 40.674 25.733 1.00 0.00 ATOM 86 O LYS 11 34.520 42.326 26.188 1.00 0.00 ATOM 87 C LYS 11 34.696 41.290 25.547 1.00 0.00 ATOM 88 N ASP 12 33.781 40.785 24.726 1.00 0.00 ATOM 89 CA ASP 12 32.505 41.439 24.541 1.00 0.00 ATOM 90 CB ASP 12 32.566 42.184 23.206 1.00 0.00 ATOM 91 CG ASP 12 32.806 41.288 21.996 1.00 0.00 ATOM 92 OD1 ASP 12 32.902 40.097 22.174 1.00 0.00 ATOM 93 OD2 ASP 12 32.733 41.780 20.895 1.00 0.00 ATOM 94 O ASP 12 30.233 40.777 24.104 1.00 0.00 ATOM 95 C ASP 12 31.315 40.472 24.608 1.00 0.00 ATOM 96 N VAL 13 31.521 39.315 25.227 1.00 0.00 ATOM 97 CA VAL 13 30.458 38.324 25.351 1.00 0.00 ATOM 98 CB VAL 13 31.065 36.909 25.352 1.00 0.00 ATOM 99 CG1 VAL 13 29.962 35.867 25.396 1.00 0.00 ATOM 100 CG2 VAL 13 31.930 36.719 24.120 1.00 0.00 ATOM 101 O VAL 13 30.199 38.666 27.743 1.00 0.00 ATOM 102 C VAL 13 29.659 38.579 26.640 1.00 0.00 ATOM 103 N TYR 14 28.353 38.407 26.515 1.00 0.00 ATOM 104 CA TYR 14 27.480 38.529 27.681 1.00 0.00 ATOM 105 CB TYR 14 26.510 39.669 27.428 1.00 0.00 ATOM 106 CG TYR 14 27.136 41.057 27.408 1.00 0.00 ATOM 107 CD1 TYR 14 27.612 41.586 26.220 1.00 0.00 ATOM 108 CD2 TYR 14 27.246 41.812 28.563 1.00 0.00 ATOM 109 CE1 TYR 14 28.194 42.828 26.137 1.00 0.00 ATOM 110 CE2 TYR 14 27.836 43.065 28.482 1.00 0.00 ATOM 111 CZ TYR 14 28.315 43.576 27.281 1.00 0.00 ATOM 112 OH TYR 14 28.990 44.758 27.289 1.00 0.00 ATOM 113 O TYR 14 26.603 36.377 27.084 1.00 0.00 ATOM 114 C TYR 14 26.833 37.182 27.987 1.00 0.00 ATOM 115 N TYR 15 26.542 36.938 29.260 1.00 0.00 ATOM 116 CA TYR 15 25.908 35.663 29.681 1.00 0.00 ATOM 117 CB TYR 15 26.799 34.792 30.554 1.00 0.00 ATOM 118 CG TYR 15 27.190 35.456 31.870 1.00 0.00 ATOM 119 CD1 TYR 15 26.447 35.184 33.008 1.00 0.00 ATOM 120 CD2 TYR 15 28.337 36.231 31.943 1.00 0.00 ATOM 121 CE1 TYR 15 26.872 35.686 34.231 1.00 0.00 ATOM 122 CE2 TYR 15 28.765 36.713 33.163 1.00 0.00 ATOM 123 CZ TYR 15 28.033 36.432 34.300 1.00 0.00 ATOM 124 OH TYR 15 28.466 36.978 35.461 1.00 0.00 ATOM 125 O TYR 15 24.558 36.995 31.154 1.00 0.00 ATOM 126 C TYR 15 24.663 35.943 30.523 1.00 0.00 ATOM 127 N MET 16 23.726 35.001 30.530 1.00 0.00 ATOM 128 CA MET 16 22.499 35.162 31.301 1.00 0.00 ATOM 129 CB MET 16 21.353 34.811 30.368 1.00 0.00 ATOM 130 CG MET 16 21.097 35.864 29.297 1.00 0.00 ATOM 131 SD MET 16 19.580 35.514 28.326 1.00 0.00 ATOM 132 CE MET 16 20.118 34.181 27.290 1.00 0.00 ATOM 133 O MET 16 22.599 33.059 32.451 1.00 0.00 ATOM 134 C MET 16 22.488 34.281 32.546 1.00 0.00 ATOM 135 N GLN 17 22.353 34.904 33.712 1.00 0.00 ATOM 136 CA GLN 17 22.328 34.159 34.976 1.00 0.00 ATOM 137 CB GLN 17 23.403 34.708 35.965 1.00 0.00 ATOM 138 CG GLN 17 23.040 36.078 36.533 1.00 0.00 ATOM 139 CD GLN 17 23.999 36.550 37.618 1.00 0.00 ATOM 140 OE1 GLN 17 23.899 37.680 38.100 1.00 0.00 ATOM 141 NE2 GLN 17 24.925 35.688 38.010 1.00 0.00 ATOM 142 O GLN 17 20.172 35.078 35.487 1.00 0.00 ATOM 143 C GLN 17 20.854 34.062 35.351 1.00 0.00 ATOM 144 N ILE 18 20.363 32.837 35.519 1.00 0.00 ATOM 145 CA ILE 18 18.976 32.630 35.879 1.00 0.00 ATOM 146 CB ILE 18 18.263 31.739 34.842 1.00 0.00 ATOM 147 CG1 ILE 18 18.162 32.472 33.507 1.00 0.00 ATOM 148 CG2 ILE 18 16.881 31.352 35.368 1.00 0.00 ATOM 149 CD1 ILE 18 17.679 31.594 32.369 1.00 0.00 ATOM 150 O ILE 18 19.611 30.924 37.442 1.00 0.00 ATOM 151 C ILE 18 18.916 31.918 37.226 1.00 0.00 ATOM 152 N LYS 19 18.085 32.425 38.131 1.00 0.00 ATOM 153 CA LYS 19 17.952 31.829 39.427 1.00 0.00 ATOM 154 CB LYS 19 18.524 32.710 40.538 1.00 0.00 ATOM 155 CG LYS 19 18.428 32.106 41.932 1.00 0.00 ATOM 156 CD LYS 19 19.020 33.036 42.981 1.00 0.00 ATOM 157 CE LYS 19 18.913 32.437 44.376 1.00 0.00 ATOM 158 NZ LYS 19 19.618 33.266 45.392 1.00 0.00 ATOM 159 O LYS 19 15.641 32.456 39.618 1.00 0.00 ATOM 160 C LYS 19 16.482 31.566 39.752 1.00 0.00 ATOM 161 N GLY 20 16.175 30.345 40.179 1.00 0.00 ATOM 162 CA GLY 20 14.805 29.986 40.521 1.00 0.00 ATOM 163 O GLY 20 15.728 28.530 42.194 1.00 0.00 ATOM 164 C GLY 20 14.709 29.031 41.707 1.00 0.00 ATOM 165 N GLU 21 13.470 28.823 42.104 1.00 0.00 ATOM 166 CA GLU 21 13.174 28.011 43.280 1.00 0.00 ATOM 167 CB GLU 21 12.938 28.939 44.474 1.00 0.00 ATOM 168 CG GLU 21 12.513 28.260 45.760 1.00 0.00 ATOM 169 CD GLU 21 12.509 29.213 46.949 1.00 0.00 ATOM 170 OE1 GLU 21 12.642 30.441 46.737 1.00 0.00 ATOM 171 OE2 GLU 21 12.365 28.737 48.094 1.00 0.00 ATOM 172 O GLU 21 10.903 27.623 42.549 1.00 0.00 ATOM 173 C GLU 21 11.916 27.157 43.076 1.00 0.00 ATOM 174 N GLY 22 12.026 25.935 43.568 1.00 0.00 ATOM 175 CA GLY 22 10.916 24.989 43.550 1.00 0.00 ATOM 176 O GLY 22 12.480 23.171 43.625 1.00 0.00 ATOM 177 C GLY 22 11.333 23.555 43.859 1.00 0.00 ATOM 178 N THR 23 10.402 22.765 44.385 1.00 0.00 ATOM 179 CA THR 23 10.690 21.385 44.714 1.00 0.00 ATOM 180 CB THR 23 10.336 21.099 46.176 1.00 0.00 ATOM 181 CG2 THR 23 11.327 21.826 47.080 1.00 0.00 ATOM 182 OG1 THR 23 8.995 21.471 46.479 1.00 0.00 ATOM 183 O THR 23 9.496 19.374 44.210 1.00 0.00 ATOM 184 C THR 23 9.950 20.439 43.789 1.00 0.00 ATOM 185 N ILE 24 9.829 20.823 42.523 1.00 0.00 ATOM 186 CA ILE 24 9.139 19.992 41.543 1.00 0.00 ATOM 187 CB ILE 24 8.974 20.768 40.225 1.00 0.00 ATOM 188 CG1 ILE 24 10.332 21.141 39.612 1.00 0.00 ATOM 189 CG2 ILE 24 8.109 22.008 40.456 1.00 0.00 ATOM 190 CD1 ILE 24 10.235 21.737 38.218 1.00 0.00 ATOM 191 O ILE 24 11.126 18.616 41.606 1.00 0.00 ATOM 192 C ILE 24 9.917 18.677 41.360 1.00 0.00 ATOM 193 N GLU 25 9.241 17.676 40.843 1.00 0.00 ATOM 194 CA GLU 25 9.841 16.336 40.599 1.00 0.00 ATOM 195 CB GLU 25 8.755 15.313 40.261 1.00 0.00 ATOM 196 CG GLU 25 8.071 15.543 38.919 1.00 0.00 ATOM 197 CD GLU 25 6.977 16.568 39.036 1.00 0.00 ATOM 198 OE1 GLU 25 6.851 17.162 40.080 1.00 0.00 ATOM 199 OE2 GLU 25 6.337 16.838 38.046 1.00 0.00 ATOM 200 O GLU 25 11.597 15.403 39.256 1.00 0.00 ATOM 201 C GLU 25 10.832 16.351 39.440 1.00 0.00 ATOM 202 N LYS 26 10.818 17.428 38.661 1.00 0.00 ATOM 203 CA LYS 26 11.736 17.559 37.505 1.00 0.00 ATOM 204 CB LYS 26 11.084 18.395 36.400 1.00 0.00 ATOM 205 CG LYS 26 9.986 17.667 35.643 1.00 0.00 ATOM 206 CD LYS 26 10.534 16.414 34.981 1.00 0.00 ATOM 207 CE LYS 26 9.464 15.706 34.177 1.00 0.00 ATOM 208 NZ LYS 26 8.952 16.589 33.104 1.00 0.00 ATOM 209 O LYS 26 14.047 18.181 37.067 1.00 0.00 ATOM 210 C LYS 26 13.159 18.080 37.915 1.00 0.00 ATOM 211 N VAL 27 13.345 18.394 39.194 1.00 0.00 ATOM 212 CA VAL 27 14.633 18.884 39.672 1.00 0.00 ATOM 213 CB VAL 27 14.436 20.376 40.151 1.00 0.00 ATOM 214 CG1 VAL 27 13.438 20.380 41.260 1.00 0.00 ATOM 215 CG2 VAL 27 15.682 20.956 40.702 1.00 0.00 ATOM 216 O VAL 27 14.366 17.342 41.492 1.00 0.00 ATOM 217 C VAL 27 15.143 18.028 40.827 1.00 0.00 ATOM 218 N ASP 28 16.450 18.071 41.065 1.00 0.00 ATOM 219 CA ASP 28 17.056 17.290 42.156 1.00 0.00 ATOM 220 CB ASP 28 18.294 16.576 41.652 1.00 0.00 ATOM 221 CG ASP 28 19.455 17.437 41.184 1.00 0.00 ATOM 222 OD1 ASP 28 19.254 18.612 40.908 1.00 0.00 ATOM 223 OD2 ASP 28 20.594 16.904 41.102 1.00 0.00 ATOM 224 O ASP 28 18.347 17.801 44.134 1.00 0.00 ATOM 225 C ASP 28 17.429 18.148 43.389 1.00 0.00 ATOM 226 N GLY 29 16.718 19.253 43.589 1.00 0.00 ATOM 227 CA GLY 29 16.988 20.131 44.723 1.00 0.00 ATOM 228 O GLY 29 14.865 21.093 44.196 1.00 0.00 ATOM 229 C GLY 29 15.900 21.170 44.860 1.00 0.00 ATOM 230 N ARG 30 16.128 22.152 45.726 1.00 0.00 ATOM 231 CA ARG 30 15.151 23.214 45.941 1.00 0.00 ATOM 232 CB ARG 30 15.023 23.476 47.492 1.00 0.00 ATOM 233 CG ARG 30 14.048 24.636 47.884 1.00 0.00 ATOM 234 CD ARG 30 13.709 24.621 49.425 1.00 0.00 ATOM 235 NE ARG 30 14.942 24.446 50.189 1.00 0.00 ATOM 236 CZ ARG 30 15.218 23.395 50.953 1.00 0.00 ATOM 237 NH1 ARG 30 14.315 22.414 51.117 1.00 0.00 ATOM 238 NH2 ARG 30 16.389 23.345 51.569 1.00 0.00 ATOM 239 O ARG 30 14.695 25.205 44.683 1.00 0.00 ATOM 240 C ARG 30 15.542 24.519 45.257 1.00 0.00 ATOM 241 N ASN 31 16.825 24.860 45.320 1.00 0.00 ATOM 242 CA ASN 31 17.311 26.087 44.698 1.00 0.00 ATOM 243 CB ASN 31 17.876 27.000 45.813 1.00 0.00 ATOM 244 CG ASN 31 16.922 27.174 46.973 1.00 0.00 ATOM 245 ND2 ASN 31 17.201 26.486 48.073 1.00 0.00 ATOM 246 OD1 ASN 31 15.933 27.902 46.876 1.00 0.00 ATOM 247 O ASN 31 19.076 25.015 43.476 1.00 0.00 ATOM 248 C ASN 31 18.109 25.777 43.436 1.00 0.00 ATOM 249 N LEU 32 17.702 26.369 42.317 1.00 0.00 ATOM 250 CA LEU 32 18.390 26.146 41.063 1.00 0.00 ATOM 251 CB LEU 32 17.440 25.473 40.062 1.00 0.00 ATOM 252 CG LEU 32 16.790 24.177 40.546 1.00 0.00 ATOM 253 CD1 LEU 32 15.817 23.680 39.484 1.00 0.00 ATOM 254 CD2 LEU 32 17.860 23.123 40.833 1.00 0.00 ATOM 255 O LEU 32 18.211 28.469 40.488 1.00 0.00 ATOM 256 C LEU 32 18.889 27.442 40.433 1.00 0.00 ATOM 257 N ARG 33 20.074 27.393 39.832 1.00 0.00 ATOM 258 CA ARG 33 20.645 28.570 39.195 1.00 0.00 ATOM 259 CB ARG 33 21.520 29.431 40.117 1.00 0.00 ATOM 260 CG ARG 33 20.857 29.873 41.469 1.00 0.00 ATOM 261 CD ARG 33 21.894 30.487 42.373 1.00 0.00 ATOM 262 NE ARG 33 22.155 31.867 41.986 1.00 0.00 ATOM 263 CZ ARG 33 22.841 32.734 42.722 1.00 0.00 ATOM 264 NH1 ARG 33 23.431 32.323 43.848 1.00 0.00 ATOM 265 NH2 ARG 33 22.975 34.022 42.305 1.00 0.00 ATOM 266 O ARG 33 22.285 27.172 38.206 1.00 0.00 ATOM 267 C ARG 33 21.477 28.090 38.061 1.00 0.00 ATOM 268 N ASN 34 21.293 28.710 36.900 1.00 0.00 ATOM 269 CA ASN 34 22.048 28.330 35.712 1.00 0.00 ATOM 270 CB ASN 34 21.173 27.338 34.865 1.00 0.00 ATOM 271 CG ASN 34 19.914 28.031 34.306 1.00 0.00 ATOM 272 ND2 ASN 34 20.029 28.654 33.139 1.00 0.00 ATOM 273 OD1 ASN 34 18.855 27.989 34.945 1.00 0.00 ATOM 274 O ASN 34 21.945 30.597 34.982 1.00 0.00 ATOM 275 C ASN 34 22.415 29.475 34.797 1.00 0.00 ATOM 276 N TYR 35 23.084 29.176 33.689 1.00 0.00 ATOM 277 CA TYR 35 23.672 30.178 32.836 1.00 0.00 ATOM 278 CB TYR 35 25.186 30.362 33.301 1.00 0.00 ATOM 279 CG TYR 35 25.312 30.515 34.812 1.00 0.00 ATOM 280 CD1 TYR 35 24.661 31.582 35.476 1.00 0.00 ATOM 281 CD2 TYR 35 26.078 29.637 35.568 1.00 0.00 ATOM 282 CE1 TYR 35 24.748 31.724 36.852 1.00 0.00 ATOM 283 CE2 TYR 35 26.223 29.809 36.951 1.00 0.00 ATOM 284 CZ TYR 35 25.546 30.851 37.583 1.00 0.00 ATOM 285 OH TYR 35 25.656 31.011 38.936 1.00 0.00 ATOM 286 O TYR 35 23.736 28.846 30.840 1.00 0.00 ATOM 287 C TYR 35 23.501 29.957 31.325 1.00 0.00 ATOM 288 N THR 36 23.199 31.035 30.624 1.00 0.00 ATOM 289 CA THR 36 23.108 31.014 29.146 1.00 0.00 ATOM 290 CB THR 36 21.883 31.772 28.636 1.00 0.00 ATOM 291 CG2 THR 36 21.795 31.767 27.113 1.00 0.00 ATOM 292 OG1 THR 36 20.693 31.185 29.165 1.00 0.00 ATOM 293 O THR 36 24.619 32.856 28.885 1.00 0.00 ATOM 294 C THR 36 24.381 31.675 28.616 1.00 0.00 ATOM 295 N LEU 37 25.197 30.915 27.874 1.00 0.00 ATOM 296 CA LEU 37 26.502 31.458 27.458 1.00 0.00 ATOM 297 CB LEU 37 27.672 30.917 28.280 1.00 0.00 ATOM 298 CG LEU 37 27.650 31.185 29.774 1.00 0.00 ATOM 299 CD1 LEU 37 26.729 30.185 30.440 1.00 0.00 ATOM 300 CD2 LEU 37 29.027 30.895 30.336 1.00 0.00 ATOM 301 O LEU 37 26.932 30.154 25.480 1.00 0.00 ATOM 302 C LEU 37 26.879 31.284 25.988 1.00 0.00 ATOM 303 N PRO 38 27.175 32.387 25.307 1.00 0.00 ATOM 304 CA PRO 38 27.721 32.314 23.944 1.00 0.00 ATOM 305 CB PRO 38 27.275 33.600 23.281 1.00 0.00 ATOM 306 CG PRO 38 27.148 34.596 24.435 1.00 0.00 ATOM 307 CD PRO 38 26.716 33.756 25.631 1.00 0.00 ATOM 308 O PRO 38 30.007 32.763 24.525 1.00 0.00 ATOM 309 C PRO 38 29.205 31.964 24.040 1.00 0.00 ATOM 310 N ALA 39 29.567 30.773 23.575 1.00 0.00 ATOM 311 CA ALA 39 30.957 30.336 23.616 1.00 0.00 ATOM 312 CB ALA 39 30.914 28.996 24.344 1.00 0.00 ATOM 313 O ALA 39 30.953 29.463 21.374 1.00 0.00 ATOM 314 C ALA 39 31.565 30.105 22.229 1.00 0.00 ATOM 315 N TYR 40 32.723 30.705 22.002 1.00 0.00 ATOM 316 CA TYR 40 33.479 30.418 20.783 1.00 0.00 ATOM 317 CB TYR 40 34.421 31.582 20.472 1.00 0.00 ATOM 318 CG TYR 40 33.733 32.842 20.011 1.00 0.00 ATOM 319 CD1 TYR 40 33.439 33.833 20.930 1.00 0.00 ATOM 320 CD2 TYR 40 33.417 32.997 18.674 1.00 0.00 ATOM 321 CE1 TYR 40 32.800 34.996 20.513 1.00 0.00 ATOM 322 CE2 TYR 40 32.793 34.164 18.265 1.00 0.00 ATOM 323 CZ TYR 40 32.471 35.164 19.179 1.00 0.00 ATOM 324 OH TYR 40 31.750 36.241 18.778 1.00 0.00 ATOM 325 O TYR 40 34.954 28.986 22.051 1.00 0.00 ATOM 326 C TYR 40 34.296 29.126 21.018 1.00 0.00 ATOM 327 N ASP 41 34.247 28.202 20.064 1.00 0.00 ATOM 328 CA ASP 41 34.985 26.950 20.186 1.00 0.00 ATOM 329 CB ASP 41 34.237 25.792 19.502 1.00 0.00 ATOM 330 CG ASP 41 34.005 25.931 17.999 1.00 0.00 ATOM 331 OD1 ASP 41 34.814 26.635 17.355 1.00 0.00 ATOM 332 OD2 ASP 41 33.037 25.293 17.544 1.00 0.00 ATOM 333 O ASP 41 36.788 28.150 19.154 1.00 0.00 ATOM 334 C ASP 41 36.420 27.106 19.696 1.00 0.00 ATOM 335 N GLU 42 37.228 26.068 19.885 1.00 0.00 ATOM 336 CA GLU 42 38.647 26.100 19.447 1.00 0.00 ATOM 337 CB GLU 42 39.293 24.711 19.768 1.00 0.00 ATOM 338 CG GLU 42 38.732 23.609 18.900 1.00 0.00 ATOM 339 CD GLU 42 39.361 22.260 19.186 1.00 0.00 ATOM 340 OE1 GLU 42 40.197 22.162 20.104 1.00 0.00 ATOM 341 OE2 GLU 42 39.013 21.297 18.481 1.00 0.00 ATOM 342 O GLU 42 39.826 26.891 17.476 1.00 0.00 ATOM 343 C GLU 42 38.790 26.389 17.915 1.00 0.00 ATOM 344 N ASP 43 37.759 26.071 17.140 1.00 0.00 ATOM 345 CA ASP 43 37.795 26.303 15.701 1.00 0.00 ATOM 346 CB ASP 43 37.115 25.195 14.934 1.00 0.00 ATOM 347 CG ASP 43 37.761 23.865 15.203 1.00 0.00 ATOM 348 OD1 ASP 43 38.994 23.830 15.391 1.00 0.00 ATOM 349 OD2 ASP 43 37.102 22.801 15.257 1.00 0.00 ATOM 350 O ASP 43 37.101 27.960 14.130 1.00 0.00 ATOM 351 C ASP 43 37.209 27.663 15.311 1.00 0.00 ATOM 352 N GLY 44 36.906 28.456 16.318 1.00 0.00 ATOM 353 CA GLY 44 36.386 29.789 16.065 1.00 0.00 ATOM 354 O GLY 44 34.396 31.055 15.629 1.00 0.00 ATOM 355 C GLY 44 34.884 29.947 15.854 1.00 0.00 ATOM 356 N VAL 45 34.154 28.840 15.929 1.00 0.00 ATOM 357 CA VAL 45 32.666 28.864 15.743 1.00 0.00 ATOM 358 CB VAL 45 32.139 27.484 15.288 1.00 0.00 ATOM 359 CG1 VAL 45 30.612 27.440 15.141 1.00 0.00 ATOM 360 CG2 VAL 45 32.748 27.083 13.947 1.00 0.00 ATOM 361 O VAL 45 32.361 28.918 18.122 1.00 0.00 ATOM 362 C VAL 45 31.956 29.296 17.022 1.00 0.00 ATOM 363 N LYS 46 30.898 30.087 16.876 1.00 0.00 ATOM 364 CA LYS 46 30.123 30.571 18.047 1.00 0.00 ATOM 365 CB LYS 46 29.541 31.963 17.755 1.00 0.00 ATOM 366 CG LYS 46 28.653 32.466 18.896 1.00 0.00 ATOM 367 CD LYS 46 28.170 33.886 18.653 1.00 0.00 ATOM 368 CE LYS 46 27.185 34.366 19.705 1.00 0.00 ATOM 369 NZ LYS 46 26.741 35.738 19.440 1.00 0.00 ATOM 370 O LYS 46 28.168 29.282 17.452 1.00 0.00 ATOM 371 C LYS 46 28.961 29.592 18.341 1.00 0.00 ATOM 372 N LYS 47 28.874 29.119 19.581 1.00 0.00 ATOM 373 CA LYS 47 27.815 28.192 19.964 1.00 0.00 ATOM 374 CB LYS 47 28.540 26.859 20.206 1.00 0.00 ATOM 375 CG LYS 47 29.080 26.160 18.966 1.00 0.00 ATOM 376 CD LYS 47 29.669 24.815 19.389 1.00 0.00 ATOM 377 CE LYS 47 30.303 24.173 18.169 1.00 0.00 ATOM 378 NZ LYS 47 30.907 22.883 18.525 1.00 0.00 ATOM 379 O LYS 47 27.925 29.021 22.212 1.00 0.00 ATOM 380 C LYS 47 27.208 28.613 21.298 1.00 0.00 ATOM 381 N GLN 48 25.887 28.513 21.407 1.00 0.00 ATOM 382 CA GLN 48 25.180 28.891 22.661 1.00 0.00 ATOM 383 CB GLN 48 23.809 29.454 22.308 1.00 0.00 ATOM 384 CG GLN 48 23.038 29.921 23.545 1.00 0.00 ATOM 385 CD GLN 48 21.681 30.501 23.155 1.00 0.00 ATOM 386 OE1 GLN 48 21.314 30.714 22.009 1.00 0.00 ATOM 387 NE2 GLN 48 20.937 30.879 24.173 1.00 0.00 ATOM 388 O GLN 48 24.368 26.689 23.159 1.00 0.00 ATOM 389 C GLN 48 25.017 27.661 23.547 1.00 0.00 ATOM 390 N ILE 49 25.607 27.705 24.737 1.00 0.00 ATOM 391 CA ILE 49 25.515 26.583 25.673 1.00 0.00 ATOM 392 CB ILE 49 26.947 26.114 26.095 1.00 0.00 ATOM 393 CG1 ILE 49 27.715 25.519 24.918 1.00 0.00 ATOM 394 CG2 ILE 49 26.874 25.101 27.259 1.00 0.00 ATOM 395 CD1 ILE 49 29.225 25.592 25.154 1.00 0.00 ATOM 396 O ILE 49 25.005 28.101 27.459 1.00 0.00 ATOM 397 C ILE 49 24.798 26.998 26.953 1.00 0.00 ATOM 398 N THR 50 23.954 26.114 27.474 1.00 0.00 ATOM 399 CA THR 50 23.212 26.404 28.702 1.00 0.00 ATOM 400 CB THR 50 21.684 26.178 28.525 1.00 0.00 ATOM 401 CG2 THR 50 20.967 26.428 29.839 1.00 0.00 ATOM 402 OG1 THR 50 21.172 27.017 27.465 1.00 0.00 ATOM 403 O THR 50 23.850 24.259 29.549 1.00 0.00 ATOM 404 C THR 50 23.726 25.462 29.779 1.00 0.00 ATOM 405 N PHE 51 24.052 26.023 30.933 1.00 0.00 ATOM 406 CA PHE 51 24.590 25.232 32.032 1.00 0.00 ATOM 407 CB PHE 51 25.805 25.884 32.665 1.00 0.00 ATOM 408 CG PHE 51 27.046 25.761 31.841 1.00 0.00 ATOM 409 CD1 PHE 51 27.445 26.798 31.008 1.00 0.00 ATOM 410 CD2 PHE 51 27.864 24.642 31.959 1.00 0.00 ATOM 411 CE1 PHE 51 28.654 26.727 30.306 1.00 0.00 ATOM 412 CE2 PHE 51 29.068 24.561 31.263 1.00 0.00 ATOM 413 CZ PHE 51 29.466 25.602 30.438 1.00 0.00 ATOM 414 O PHE 51 23.063 26.372 33.463 1.00 0.00 ATOM 415 C PHE 51 23.604 25.301 33.193 1.00 0.00 ATOM 416 N ARG 52 23.551 24.213 33.941 1.00 0.00 ATOM 417 CA ARG 52 22.750 24.175 35.177 1.00 0.00 ATOM 418 CB ARG 52 21.727 23.036 35.176 1.00 0.00 ATOM 419 CG ARG 52 20.927 22.988 36.482 1.00 0.00 ATOM 420 CD ARG 52 19.861 21.901 36.435 1.00 0.00 ATOM 421 NE ARG 52 20.489 20.583 36.306 1.00 0.00 ATOM 422 CZ ARG 52 21.054 19.872 37.293 1.00 0.00 ATOM 423 NH1 ARG 52 21.586 18.687 37.032 1.00 0.00 ATOM 424 NH2 ARG 52 21.086 20.299 38.549 1.00 0.00 ATOM 425 O ARG 52 24.529 23.066 36.323 1.00 0.00 ATOM 426 C ARG 52 23.664 23.948 36.375 1.00 0.00 ATOM 427 N SER 53 23.432 24.707 37.391 1.00 0.00 ATOM 428 CA SER 53 24.148 24.530 38.649 1.00 0.00 ATOM 429 CB SER 53 24.886 25.847 39.014 1.00 0.00 ATOM 430 OG SER 53 25.401 25.669 40.330 1.00 0.00 ATOM 431 O SER 53 22.180 24.875 39.966 1.00 0.00 ATOM 432 C SER 53 23.188 24.216 39.800 1.00 0.00 ATOM 433 N THR 54 23.456 23.252 40.583 1.00 0.00 ATOM 434 CA THR 54 22.668 22.979 41.798 1.00 0.00 ATOM 435 CB THR 54 22.829 21.521 42.227 1.00 0.00 ATOM 436 CG2 THR 54 21.969 21.182 43.458 1.00 0.00 ATOM 437 OG1 THR 54 22.469 20.711 41.108 1.00 0.00 ATOM 438 O THR 54 24.367 24.001 43.156 1.00 0.00 ATOM 439 C THR 54 23.162 23.885 42.928 1.00 0.00 ATOM 440 N LYS 55 22.231 24.520 43.632 1.00 0.00 ATOM 441 CA LYS 55 22.589 25.407 44.733 1.00 0.00 ATOM 442 CB LYS 55 21.345 26.289 45.124 1.00 0.00 ATOM 443 CG LYS 55 21.661 27.195 46.355 1.00 0.00 ATOM 444 CD LYS 55 20.579 28.263 46.694 1.00 0.00 ATOM 445 CE LYS 55 20.620 28.567 48.221 1.00 0.00 ATOM 446 NZ LYS 55 19.427 29.307 48.758 1.00 0.00 ATOM 447 O LYS 55 24.118 25.325 46.567 1.00 0.00 ATOM 448 C LYS 55 23.286 24.709 45.911 1.00 0.00 ATOM 449 N LYS 56 22.861 23.481 46.204 1.00 0.00 ATOM 450 CA LYS 56 23.372 22.717 47.352 1.00 0.00 ATOM 451 CB LYS 56 22.282 21.696 47.791 1.00 0.00 ATOM 452 CG LYS 56 21.021 22.341 48.368 1.00 0.00 ATOM 453 CD LYS 56 19.944 21.312 48.747 1.00 0.00 ATOM 454 CE LYS 56 18.740 21.970 49.332 1.00 0.00 ATOM 455 NZ LYS 56 17.642 20.973 49.571 1.00 0.00 ATOM 456 O LYS 56 25.585 21.953 47.864 1.00 0.00 ATOM 457 C LYS 56 24.666 21.962 47.045 1.00 0.00 ATOM 458 N GLU 57 24.719 21.276 45.883 1.00 0.00 ATOM 459 CA GLU 57 25.801 20.332 45.588 1.00 0.00 ATOM 460 CB GLU 57 25.221 19.220 44.705 1.00 0.00 ATOM 461 CG GLU 57 24.025 18.510 45.324 1.00 0.00 ATOM 462 CD GLU 57 24.313 17.945 46.723 1.00 0.00 ATOM 463 OE1 GLU 57 25.382 17.330 46.866 1.00 0.00 ATOM 464 OE2 GLU 57 23.408 18.090 47.576 1.00 0.00 ATOM 465 O GLU 57 27.919 20.229 44.472 1.00 0.00 ATOM 466 C GLU 57 26.994 20.935 44.832 1.00 0.00 ATOM 467 N ASN 58 26.755 22.138 44.291 1.00 0.00 ATOM 468 CA ASN 58 27.705 22.825 43.393 1.00 0.00 ATOM 469 CB ASN 58 29.081 22.974 44.064 1.00 0.00 ATOM 470 CG ASN 58 29.025 23.755 45.365 1.00 0.00 ATOM 471 ND2 ASN 58 29.507 23.144 46.410 1.00 0.00 ATOM 472 OD1 ASN 58 28.551 24.881 45.433 1.00 0.00 ATOM 473 O ASN 58 28.780 22.490 41.275 1.00 0.00 ATOM 474 C ASN 58 27.923 22.101 42.069 1.00 0.00 ATOM 475 N ASP 59 27.148 21.047 41.833 1.00 0.00 ATOM 476 CA ASP 59 27.265 20.259 40.574 1.00 0.00 ATOM 477 CB ASP 59 26.364 19.024 40.690 1.00 0.00 ATOM 478 CG ASP 59 27.007 17.909 41.539 1.00 0.00 ATOM 479 OD1 ASP 59 28.026 18.182 42.230 1.00 0.00 ATOM 480 OD2 ASP 59 26.493 16.770 41.547 1.00 0.00 ATOM 481 O ASP 59 25.909 21.884 39.454 1.00 0.00 ATOM 482 C ASP 59 26.792 21.031 39.356 1.00 0.00 ATOM 483 N HIS 60 27.380 20.733 38.201 1.00 0.00 ATOM 484 CA HIS 60 27.004 21.410 36.965 1.00 0.00 ATOM 485 CB HIS 60 28.083 22.383 36.491 1.00 0.00 ATOM 486 CG HIS 60 28.371 23.579 37.410 1.00 0.00 ATOM 487 CD2 HIS 60 27.619 24.137 38.347 1.00 0.00 ATOM 488 ND1 HIS 60 29.453 24.338 37.292 1.00 0.00 ATOM 489 CE1 HIS 60 29.363 25.356 38.144 1.00 0.00 ATOM 490 NE2 HIS 60 28.232 25.225 38.810 1.00 0.00 ATOM 491 O HIS 60 27.396 19.386 35.721 1.00 0.00 ATOM 492 C HIS 60 26.734 20.419 35.822 1.00 0.00 ATOM 493 N LYS 61 25.765 20.742 34.970 1.00 0.00 ATOM 494 CA LYS 61 25.427 19.875 33.847 1.00 0.00 ATOM 495 CB LYS 61 24.255 18.903 34.121 1.00 0.00 ATOM 496 CG LYS 61 24.672 17.798 35.106 1.00 0.00 ATOM 497 CD LYS 61 23.658 16.701 35.420 1.00 0.00 ATOM 498 CE LYS 61 24.164 15.880 36.619 1.00 0.00 ATOM 499 NZ LYS 61 23.406 14.674 37.004 1.00 0.00 ATOM 500 O LYS 61 24.731 21.876 32.700 1.00 0.00 ATOM 501 C LYS 61 25.191 20.736 32.605 1.00 0.00 ATOM 502 N LEU 62 25.664 20.221 31.474 1.00 0.00 ATOM 503 CA LEU 62 25.593 20.906 30.175 1.00 0.00 ATOM 504 CB LEU 62 26.785 21.877 29.977 1.00 0.00 ATOM 505 CG LEU 62 28.137 21.199 29.695 1.00 0.00 ATOM 506 CD1 LEU 62 29.095 22.225 29.113 1.00 0.00 ATOM 507 CD2 LEU 62 28.750 20.596 30.965 1.00 0.00 ATOM 508 O LEU 62 25.747 18.693 29.261 1.00 0.00 ATOM 509 C LEU 62 25.500 19.871 29.047 1.00 0.00 ATOM 510 N ASN 63 25.279 20.373 27.845 1.00 0.00 ATOM 511 CA ASN 63 25.226 19.513 26.661 1.00 0.00 ATOM 512 CB ASN 63 23.858 19.553 25.994 1.00 0.00 ATOM 513 CG ASN 63 23.807 18.612 24.787 1.00 0.00 ATOM 514 ND2 ASN 63 23.506 19.190 23.664 1.00 0.00 ATOM 515 OD1 ASN 63 24.026 17.416 24.849 1.00 0.00 ATOM 516 O ASN 63 26.288 21.092 25.198 1.00 0.00 ATOM 517 C ASN 63 26.289 19.949 25.658 1.00 0.00 ATOM 518 N LYS 64 27.197 19.038 25.320 1.00 0.00 ATOM 519 CA LYS 64 28.206 19.347 24.406 1.00 0.00 ATOM 520 CB LYS 64 29.610 19.721 24.839 1.00 0.00 ATOM 521 CG LYS 64 29.711 21.224 24.563 1.00 0.00 ATOM 522 CD LYS 64 31.147 21.689 24.403 1.00 0.00 ATOM 523 CE LYS 64 31.775 20.946 23.233 1.00 0.00 ATOM 524 NZ LYS 64 33.112 21.417 22.995 1.00 0.00 ATOM 525 O LYS 64 28.480 17.134 23.512 1.00 0.00 ATOM 526 C LYS 64 28.113 18.290 23.335 1.00 0.00 ATOM 527 N TYR 65 27.429 18.736 22.288 1.00 0.00 ATOM 528 CA TYR 65 27.012 17.870 21.178 1.00 0.00 ATOM 529 CB TYR 65 28.231 17.120 20.602 1.00 0.00 ATOM 530 CG TYR 65 29.282 18.056 20.023 1.00 0.00 ATOM 531 CD1 TYR 65 30.383 18.464 20.743 1.00 0.00 ATOM 532 CD2 TYR 65 29.127 18.473 18.726 1.00 0.00 ATOM 533 CE1 TYR 65 31.333 19.281 20.142 1.00 0.00 ATOM 534 CE2 TYR 65 30.045 19.283 18.124 1.00 0.00 ATOM 535 CZ TYR 65 31.151 19.699 18.832 1.00 0.00 ATOM 536 OH TYR 65 31.975 20.632 18.296 1.00 0.00 ATOM 537 O TYR 65 24.933 17.331 22.265 1.00 0.00 ATOM 538 C TYR 65 25.948 16.894 21.726 1.00 0.00 ATOM 539 N ALA 66 26.246 15.606 21.734 1.00 0.00 ATOM 540 CA ALA 66 25.368 14.608 22.363 1.00 0.00 ATOM 541 CB ALA 66 25.169 13.444 21.400 1.00 0.00 ATOM 542 O ALA 66 25.288 13.285 24.363 1.00 0.00 ATOM 543 C ALA 66 25.884 14.152 23.723 1.00 0.00 ATOM 544 N PHE 67 26.994 14.739 24.164 1.00 0.00 ATOM 545 CA PHE 67 27.585 14.382 25.468 1.00 0.00 ATOM 546 CB PHE 67 29.079 14.658 25.461 1.00 0.00 ATOM 547 CG PHE 67 29.833 13.706 24.546 1.00 0.00 ATOM 548 CD1 PHE 67 30.146 14.083 23.252 1.00 0.00 ATOM 549 CD2 PHE 67 30.217 12.467 25.039 1.00 0.00 ATOM 550 CE1 PHE 67 30.859 13.210 22.449 1.00 0.00 ATOM 551 CE2 PHE 67 30.922 11.613 24.228 1.00 0.00 ATOM 552 CZ PHE 67 31.248 11.980 22.931 1.00 0.00 ATOM 553 O PHE 67 26.977 16.449 26.505 1.00 0.00 ATOM 554 C PHE 67 26.883 15.213 26.521 1.00 0.00 ATOM 555 N LEU 68 26.154 14.531 27.373 1.00 0.00 ATOM 556 CA LEU 68 25.574 15.183 28.559 1.00 0.00 ATOM 557 CB LEU 68 24.237 14.511 28.914 1.00 0.00 ATOM 558 CG LEU 68 23.278 14.643 27.722 1.00 0.00 ATOM 559 CD1 LEU 68 22.129 13.656 27.840 1.00 0.00 ATOM 560 CD2 LEU 68 22.684 16.056 27.590 1.00 0.00 ATOM 561 O LEU 68 27.207 14.100 29.976 1.00 0.00 ATOM 562 C LEU 68 26.689 15.151 29.601 1.00 0.00 ATOM 563 N ARG 69 27.224 16.350 29.775 1.00 0.00 ATOM 564 CA ARG 69 28.490 16.579 30.485 1.00 0.00 ATOM 565 CB ARG 69 29.350 17.518 29.652 1.00 0.00 ATOM 566 CG ARG 69 30.679 17.904 30.320 1.00 0.00 ATOM 567 CD ARG 69 31.603 18.598 29.302 1.00 0.00 ATOM 568 NE ARG 69 32.827 19.062 29.965 1.00 0.00 ATOM 569 CZ ARG 69 33.781 19.835 29.430 1.00 0.00 ATOM 570 NH1 ARG 69 33.709 20.259 28.122 1.00 0.00 ATOM 571 NH2 ARG 69 34.845 20.163 30.190 1.00 0.00 ATOM 572 O ARG 69 27.269 17.958 32.024 1.00 0.00 ATOM 573 C ARG 69 28.232 17.209 31.850 1.00 0.00 ATOM 574 N LEU 70 29.094 16.906 32.816 1.00 0.00 ATOM 575 CA LEU 70 28.943 17.451 34.143 1.00 0.00 ATOM 576 CB LEU 70 27.990 16.542 34.927 1.00 0.00 ATOM 577 CG LEU 70 28.402 15.073 35.043 1.00 0.00 ATOM 578 CD1 LEU 70 29.357 14.851 36.211 1.00 0.00 ATOM 579 CD2 LEU 70 27.165 14.201 35.229 1.00 0.00 ATOM 580 O LEU 70 31.252 16.897 34.541 1.00 0.00 ATOM 581 C LEU 70 30.282 17.577 34.870 1.00 0.00 ATOM 582 N TYR 71 30.241 18.444 35.860 1.00 0.00 ATOM 583 CA TYR 71 31.337 18.606 36.818 1.00 0.00 ATOM 584 CB TYR 71 31.722 20.079 36.838 1.00 0.00 ATOM 585 CG TYR 71 32.192 20.682 35.529 1.00 0.00 ATOM 586 CD1 TYR 71 31.250 21.103 34.615 1.00 0.00 ATOM 587 CD2 TYR 71 33.554 20.806 35.265 1.00 0.00 ATOM 588 CE1 TYR 71 31.678 21.612 33.403 1.00 0.00 ATOM 589 CE2 TYR 71 33.966 21.346 34.062 1.00 0.00 ATOM 590 CZ TYR 71 33.027 21.746 33.112 1.00 0.00 ATOM 591 OH TYR 71 33.411 22.137 31.870 1.00 0.00 ATOM 592 O TYR 71 29.588 18.624 38.462 1.00 0.00 ATOM 593 C TYR 71 30.754 18.324 38.200 1.00 0.00 ATOM 594 N VAL 72 31.565 17.750 39.081 1.00 0.00 ATOM 595 CA VAL 72 31.115 17.433 40.444 1.00 0.00 ATOM 596 CB VAL 72 30.845 15.911 40.606 1.00 0.00 ATOM 597 CG1 VAL 72 30.587 15.532 42.105 1.00 0.00 ATOM 598 CG2 VAL 72 29.695 15.503 39.689 1.00 0.00 ATOM 599 O VAL 72 33.313 17.681 41.372 1.00 0.00 ATOM 600 C VAL 72 32.104 17.852 41.526 1.00 0.00 ATOM 601 N ASP 73 31.587 18.398 42.623 1.00 0.00 ATOM 602 CA ASP 73 32.432 18.824 43.705 1.00 0.00 ATOM 603 CB ASP 73 33.001 20.196 43.337 1.00 0.00 ATOM 604 CG ASP 73 33.986 20.650 44.391 1.00 0.00 ATOM 605 OD1 ASP 73 34.959 19.920 44.654 1.00 0.00 ATOM 606 OD2 ASP 73 33.642 21.637 45.045 1.00 0.00 ATOM 607 O ASP 73 30.507 19.058 45.129 1.00 0.00 ATOM 608 C ASP 73 31.718 18.848 45.063 1.00 0.00 ATOM 609 N GLN 74 32.473 18.632 46.136 1.00 0.00 ATOM 610 CA GLN 74 31.899 18.635 47.477 1.00 0.00 ATOM 611 CB GLN 74 32.983 18.382 48.512 1.00 0.00 ATOM 612 CG GLN 74 33.345 16.884 48.525 1.00 0.00 ATOM 613 CD GLN 74 34.632 16.570 49.263 1.00 0.00 ATOM 614 OE1 GLN 74 35.694 17.140 48.962 1.00 0.00 ATOM 615 NE2 GLN 74 34.533 15.668 50.244 1.00 0.00 ATOM 616 O GLN 74 31.821 21.013 47.080 1.00 0.00 ATOM 617 C GLN 74 31.462 20.073 47.782 1.00 0.00 ATOM 618 N ASP 75 30.896 20.270 48.957 1.00 0.00 ATOM 619 CA ASP 75 30.295 21.578 49.293 1.00 0.00 ATOM 620 CB ASP 75 29.159 21.437 50.304 1.00 0.00 ATOM 621 CG ASP 75 27.902 20.810 49.730 1.00 0.00 ATOM 622 OD1 ASP 75 27.831 20.743 48.482 1.00 0.00 ATOM 623 OD2 ASP 75 26.992 20.561 50.558 1.00 0.00 ATOM 624 O ASP 75 30.864 23.768 50.118 1.00 0.00 ATOM 625 C ASP 75 31.236 22.614 49.911 1.00 0.00 ATOM 626 N ASP 76 32.486 22.214 50.112 1.00 0.00 ATOM 627 CA ASP 76 33.406 22.953 50.987 1.00 0.00 ATOM 628 CB ASP 76 34.662 22.158 51.316 1.00 0.00 ATOM 629 CG ASP 76 34.417 20.981 52.269 1.00 0.00 ATOM 630 OD1 ASP 76 33.367 20.978 52.929 1.00 0.00 ATOM 631 OD2 ASP 76 35.293 20.100 52.340 1.00 0.00 ATOM 632 O ASP 76 34.326 25.157 51.211 1.00 0.00 ATOM 633 C ASP 76 33.834 24.317 50.457 1.00 0.00 ATOM 634 N ASN 77 33.645 24.536 49.159 1.00 0.00 ATOM 635 CA ASN 77 34.015 25.806 48.545 1.00 0.00 ATOM 636 CB ASN 77 35.038 25.699 47.396 1.00 0.00 ATOM 637 CG ASN 77 34.763 24.655 46.321 1.00 0.00 ATOM 638 ND2 ASN 77 33.516 24.288 46.205 1.00 0.00 ATOM 639 OD1 ASN 77 35.608 24.199 45.571 1.00 0.00 ATOM 640 O ASN 77 32.919 27.746 47.680 1.00 0.00 ATOM 641 C ASN 77 32.787 26.627 48.161 1.00 0.00 ATOM 642 N SER 78 31.600 26.183 48.571 1.00 0.00 ATOM 643 CA SER 78 30.373 26.961 48.345 1.00 0.00 ATOM 644 CB SER 78 29.166 26.018 48.297 1.00 0.00 ATOM 645 OG SER 78 27.970 26.740 47.984 1.00 0.00 ATOM 646 O SER 78 29.608 27.800 50.498 1.00 0.00 ATOM 647 C SER 78 30.357 27.985 49.538 1.00 0.00 ATOM 648 N LYS 79 31.171 29.032 49.450 1.00 0.00 ATOM 649 CA LYS 79 31.227 30.038 50.505 1.00 0.00 ATOM 650 CB LYS 79 32.671 30.194 51.001 1.00 0.00 ATOM 651 CG LYS 79 33.188 28.947 51.712 1.00 0.00 ATOM 652 CD LYS 79 34.622 29.160 52.192 1.00 0.00 ATOM 653 CE LYS 79 35.130 27.895 52.877 1.00 0.00 ATOM 654 NZ LYS 79 36.547 28.027 53.204 1.00 0.00 ATOM 655 O LYS 79 30.541 32.275 50.883 1.00 0.00 ATOM 656 C LYS 79 30.828 31.430 50.039 1.00 0.00 ATOM 657 N ASN 80 30.849 31.682 48.719 1.00 0.00 ATOM 658 CA ASN 80 30.598 33.042 48.196 1.00 0.00 ATOM 659 CB ASN 80 31.787 33.723 47.522 1.00 0.00 ATOM 660 CG ASN 80 32.956 33.960 48.480 1.00 0.00 ATOM 661 ND2 ASN 80 34.000 33.165 48.340 1.00 0.00 ATOM 662 OD1 ASN 80 32.915 34.692 49.448 1.00 0.00 ATOM 663 O ASN 80 28.425 33.616 47.424 1.00 0.00 ATOM 664 C ASN 80 29.487 33.042 47.167 1.00 0.00 ATOM 665 N GLU 81 29.695 32.376 45.983 1.00 0.00 ATOM 666 CA GLU 81 28.678 32.433 44.941 1.00 0.00 ATOM 667 CB GLU 81 29.001 33.591 43.991 1.00 0.00 ATOM 668 CG GLU 81 28.992 34.944 44.706 1.00 0.00 ATOM 669 CD GLU 81 29.358 36.068 43.757 1.00 0.00 ATOM 670 OE1 GLU 81 30.514 36.047 43.281 1.00 0.00 ATOM 671 OE2 GLU 81 28.454 36.893 43.505 1.00 0.00 ATOM 672 O GLU 81 29.737 30.547 43.897 1.00 0.00 ATOM 673 C GLU 81 28.695 31.141 44.139 1.00 0.00 ATOM 674 N ILE 82 27.517 30.778 43.661 1.00 0.00 ATOM 675 CA ILE 82 27.374 29.694 42.660 1.00 0.00 ATOM 676 CB ILE 82 25.857 29.399 42.492 1.00 0.00 ATOM 677 CG1 ILE 82 25.400 28.533 43.687 1.00 0.00 ATOM 678 CG2 ILE 82 25.611 28.654 41.127 1.00 0.00 ATOM 679 CD1 ILE 82 23.844 28.354 43.832 1.00 0.00 ATOM 680 O ILE 82 28.726 29.350 40.708 1.00 0.00 ATOM 681 C ILE 82 28.028 30.133 41.354 1.00 0.00 ATOM 682 N SER 83 27.804 31.385 40.969 1.00 0.00 ATOM 683 CA SER 83 28.385 31.919 39.730 1.00 0.00 ATOM 684 CB SER 83 28.067 33.388 39.590 1.00 0.00 ATOM 685 OG SER 83 26.654 33.577 39.474 1.00 0.00 ATOM 686 O SER 83 30.520 31.426 38.705 1.00 0.00 ATOM 687 C SER 83 29.928 31.744 39.736 1.00 0.00 ATOM 688 N SER 84 30.552 31.951 40.892 1.00 0.00 ATOM 689 CA SER 84 31.999 31.810 41.005 1.00 0.00 ATOM 690 CB SER 84 32.544 33.132 41.535 1.00 0.00 ATOM 691 OG SER 84 32.056 33.320 42.871 1.00 0.00 ATOM 692 O SER 84 33.551 30.574 42.355 1.00 0.00 ATOM 693 C SER 84 32.429 30.612 41.844 1.00 0.00 ATOM 694 N ILE 85 31.540 29.635 41.986 1.00 0.00 ATOM 695 CA ILE 85 31.844 28.406 42.785 1.00 0.00 ATOM 696 CB ILE 85 30.666 27.392 42.862 1.00 0.00 ATOM 697 CG1 ILE 85 31.010 26.082 43.587 1.00 0.00 ATOM 698 CG2 ILE 85 30.164 26.949 41.485 1.00 0.00 ATOM 699 CD1 ILE 85 31.360 26.224 45.062 1.00 0.00 ATOM 700 O ILE 85 33.146 27.646 40.943 1.00 0.00 ATOM 701 C ILE 85 32.983 27.656 42.164 1.00 0.00 ATOM 702 N GLU 86 33.790 27.016 43.004 1.00 0.00 ATOM 703 CA GLU 86 34.932 26.250 42.518 1.00 0.00 ATOM 704 CB GLU 86 36.084 26.261 43.517 1.00 0.00 ATOM 705 CG GLU 86 37.251 25.406 43.038 1.00 0.00 ATOM 706 CD GLU 86 38.407 25.373 44.040 1.00 0.00 ATOM 707 OE1 GLU 86 38.406 26.088 45.065 1.00 0.00 ATOM 708 OE2 GLU 86 39.384 24.664 43.722 1.00 0.00 ATOM 709 O GLU 86 33.968 24.179 43.249 1.00 0.00 ATOM 710 C GLU 86 34.387 24.843 42.301 1.00 0.00 ATOM 711 N VAL 87 34.395 24.389 41.051 1.00 0.00 ATOM 712 CA VAL 87 33.901 23.064 40.732 1.00 0.00 ATOM 713 CB VAL 87 32.756 23.116 39.690 1.00 0.00 ATOM 714 CG1 VAL 87 32.164 21.731 39.477 1.00 0.00 ATOM 715 CG2 VAL 87 31.677 24.087 40.153 1.00 0.00 ATOM 716 O VAL 87 35.845 22.625 39.387 1.00 0.00 ATOM 717 C VAL 87 35.107 22.199 40.273 1.00 0.00 ATOM 718 N LYS 88 35.175 20.966 40.771 1.00 0.00 ATOM 719 CA LYS 88 36.225 19.913 40.485 1.00 0.00 ATOM 720 CB LYS 88 36.641 19.511 41.899 1.00 0.00 ATOM 721 CG LYS 88 37.340 20.445 42.890 1.00 0.00 ATOM 722 CD LYS 88 37.704 19.628 44.149 1.00 0.00 ATOM 723 CE LYS 88 38.245 20.550 45.237 1.00 0.00 ATOM 724 NZ LYS 88 38.602 19.832 46.470 1.00 0.00 ATOM 725 O LYS 88 34.530 18.708 39.381 1.00 0.00 ATOM 726 C LYS 88 35.700 18.685 39.673 1.00 0.00 ATOM 727 N SER 89 36.410 17.590 39.254 1.00 0.00 ATOM 728 CA SER 89 35.951 16.414 38.451 1.00 0.00 ATOM 729 CB SER 89 35.614 15.217 39.424 1.00 0.00 ATOM 730 OG SER 89 34.253 15.310 39.778 1.00 0.00 ATOM 731 O SER 89 33.911 17.181 37.415 1.00 0.00 ATOM 732 C SER 89 34.910 16.511 37.297 1.00 0.00 ATOM 733 N TYR 90 35.103 15.777 36.195 1.00 0.00 ATOM 734 CA TYR 90 34.193 15.823 35.030 1.00 0.00 ATOM 735 CB TYR 90 34.858 16.652 33.944 1.00 0.00 ATOM 736 CG TYR 90 36.094 16.018 33.268 1.00 0.00 ATOM 737 CD1 TYR 90 35.962 15.233 32.132 1.00 0.00 ATOM 738 CD2 TYR 90 37.345 16.219 33.820 1.00 0.00 ATOM 739 CE1 TYR 90 37.077 14.632 31.567 1.00 0.00 ATOM 740 CE2 TYR 90 38.462 15.612 33.261 1.00 0.00 ATOM 741 CZ TYR 90 38.315 14.807 32.147 1.00 0.00 ATOM 742 OH TYR 90 39.387 14.178 31.601 1.00 0.00 ATOM 743 O TYR 90 34.623 13.529 34.390 1.00 0.00 ATOM 744 C TYR 90 33.804 14.454 34.464 1.00 0.00 ATOM 745 N GLU 91 32.596 14.420 33.915 1.00 0.00 ATOM 746 CA GLU 91 32.052 13.203 33.313 1.00 0.00 ATOM 747 CB GLU 91 31.193 12.467 34.350 1.00 0.00 ATOM 748 CG GLU 91 30.646 11.138 33.873 1.00 0.00 ATOM 749 CD GLU 91 31.731 10.096 33.663 1.00 0.00 ATOM 750 OE1 GLU 91 32.239 9.544 34.667 1.00 0.00 ATOM 751 OE2 GLU 91 32.080 9.834 32.491 1.00 0.00 ATOM 752 O GLU 91 30.681 14.648 31.979 1.00 0.00 ATOM 753 C GLU 91 31.161 13.523 32.121 1.00 0.00 ATOM 754 N GLU 92 30.939 12.531 31.263 1.00 0.00 ATOM 755 CA GLU 92 30.099 12.724 30.087 1.00 0.00 ATOM 756 CB GLU 92 30.957 13.247 28.927 1.00 0.00 ATOM 757 CG GLU 92 32.056 12.288 28.470 1.00 0.00 ATOM 758 CD GLU 92 32.949 12.851 27.368 1.00 0.00 ATOM 759 OE1 GLU 92 32.789 14.041 26.994 1.00 0.00 ATOM 760 OE2 GLU 92 33.819 12.084 26.917 1.00 0.00 ATOM 761 O GLU 92 30.094 10.370 29.712 1.00 0.00 ATOM 762 C GLU 92 29.460 11.425 29.681 1.00 0.00 ATOM 763 N ILE 93 28.190 11.491 29.292 1.00 0.00 ATOM 764 CA ILE 93 27.465 10.297 28.873 1.00 0.00 ATOM 765 CB ILE 93 26.511 9.846 30.000 1.00 0.00 ATOM 766 CG1 ILE 93 25.877 8.473 29.736 1.00 0.00 ATOM 767 CG2 ILE 93 25.423 10.904 30.142 1.00 0.00 ATOM 768 CD1 ILE 93 25.305 7.827 31.007 1.00 0.00 ATOM 769 O ILE 93 26.264 11.771 27.379 1.00 0.00 ATOM 770 C ILE 93 26.729 10.643 27.576 1.00 0.00 ATOM 771 N GLN 94 26.460 9.607 26.802 1.00 0.00 ATOM 772 CA GLN 94 25.604 9.777 25.609 1.00 0.00 ATOM 773 CB GLN 94 25.554 8.474 24.814 1.00 0.00 ATOM 774 CG GLN 94 26.887 8.051 24.212 1.00 0.00 ATOM 775 CD GLN 94 27.315 8.929 23.050 1.00 0.00 ATOM 776 OE1 GLN 94 26.645 8.983 22.019 1.00 0.00 ATOM 777 NE2 GLN 94 28.437 9.624 23.214 1.00 0.00 ATOM 778 O GLN 94 23.640 9.619 26.991 1.00 0.00 ATOM 779 C GLN 94 24.150 10.071 25.964 1.00 0.00 ATOM 780 N LYS 95 23.484 10.883 25.146 1.00 0.00 ATOM 781 CA LYS 95 22.090 11.256 25.343 1.00 0.00 ATOM 782 CB LYS 95 21.473 11.796 24.057 1.00 0.00 ATOM 783 CG LYS 95 22.440 12.493 23.096 1.00 0.00 ATOM 784 CD LYS 95 21.904 12.581 21.671 1.00 0.00 ATOM 785 CE LYS 95 20.748 13.572 21.542 1.00 0.00 ATOM 786 NZ LYS 95 20.383 13.772 20.144 1.00 0.00 ATOM 787 O LYS 95 20.463 9.850 26.481 1.00 0.00 ATOM 788 C LYS 95 21.267 9.982 25.562 1.00 0.00 ATOM 789 N ALA 96 21.607 9.012 24.740 1.00 0.00 ATOM 790 CA ALA 96 20.954 7.706 24.690 1.00 0.00 ATOM 791 CB ALA 96 21.385 7.087 23.382 1.00 0.00 ATOM 792 O ALA 96 20.396 5.958 26.238 1.00 0.00 ATOM 793 C ALA 96 21.198 6.837 25.921 1.00 0.00 ATOM 794 N ASP 97 22.306 7.085 26.612 1.00 0.00 ATOM 795 CA ASP 97 22.652 6.307 27.827 1.00 0.00 ATOM 796 CB ASP 97 24.081 5.731 27.698 1.00 0.00 ATOM 797 CG ASP 97 24.224 4.723 26.569 1.00 0.00 ATOM 798 OD1 ASP 97 23.269 3.957 26.320 1.00 0.00 ATOM 799 OD2 ASP 97 25.309 4.679 25.945 1.00 0.00 ATOM 800 O ASP 97 22.727 6.484 30.229 1.00 0.00 ATOM 801 C ASP 97 22.473 7.048 29.163 1.00 0.00 ATOM 802 N LEU 98 22.040 8.302 29.096 1.00 0.00 ATOM 803 CA LEU 98 21.835 9.096 30.303 1.00 0.00 ATOM 804 CB LEU 98 21.622 10.558 29.881 1.00 0.00 ATOM 805 CG LEU 98 21.554 11.464 31.098 1.00 0.00 ATOM 806 CD1 LEU 98 22.894 11.454 31.812 1.00 0.00 ATOM 807 CD2 LEU 98 21.229 12.893 30.707 1.00 0.00 ATOM 808 O LEU 98 19.539 8.479 30.466 1.00 0.00 ATOM 809 C LEU 98 20.603 8.613 31.078 1.00 0.00 ATOM 810 N PRO 99 20.693 8.464 32.403 1.00 0.00 ATOM 811 CA PRO 99 19.521 8.132 33.227 1.00 0.00 ATOM 812 CB PRO 99 20.060 8.197 34.638 1.00 0.00 ATOM 813 CG PRO 99 21.485 7.735 34.484 1.00 0.00 ATOM 814 CD PRO 99 21.931 8.488 33.259 1.00 0.00 ATOM 815 O PRO 99 18.835 10.394 32.812 1.00 0.00 ATOM 816 C PRO 99 18.473 9.236 33.051 1.00 0.00 ATOM 817 N GLU 100 17.232 8.901 33.412 1.00 0.00 ATOM 818 CA GLU 100 16.112 9.851 33.301 1.00 0.00 ATOM 819 CB GLU 100 14.789 9.169 33.603 1.00 0.00 ATOM 820 CG GLU 100 14.364 8.093 32.608 1.00 0.00 ATOM 821 CD GLU 100 15.176 6.817 32.722 1.00 0.00 ATOM 822 OE1 GLU 100 15.686 6.534 33.827 1.00 0.00 ATOM 823 OE2 GLU 100 15.285 6.080 31.713 1.00 0.00 ATOM 824 O GLU 100 15.826 12.155 33.907 1.00 0.00 ATOM 825 C GLU 100 16.205 11.036 34.256 1.00 0.00 ATOM 826 N LYS 101 16.711 10.790 35.461 1.00 0.00 ATOM 827 CA LYS 101 16.848 11.854 36.463 1.00 0.00 ATOM 828 CB LYS 101 17.404 11.319 37.772 1.00 0.00 ATOM 829 CG LYS 101 16.373 10.505 38.534 1.00 0.00 ATOM 830 CD LYS 101 16.972 9.990 39.834 1.00 0.00 ATOM 831 CE LYS 101 15.897 9.328 40.681 1.00 0.00 ATOM 832 NZ LYS 101 16.375 8.760 41.938 1.00 0.00 ATOM 833 O LYS 101 17.443 14.143 36.060 1.00 0.00 ATOM 834 C LYS 101 17.762 12.959 35.944 1.00 0.00 ATOM 835 N VAL 102 18.896 12.570 35.371 1.00 0.00 ATOM 836 CA VAL 102 19.841 13.541 34.838 1.00 0.00 ATOM 837 CB VAL 102 21.163 12.856 34.390 1.00 0.00 ATOM 838 CG1 VAL 102 22.121 13.913 33.789 1.00 0.00 ATOM 839 CG2 VAL 102 21.844 12.123 35.521 1.00 0.00 ATOM 840 O VAL 102 19.373 15.546 33.534 1.00 0.00 ATOM 841 C VAL 102 19.204 14.330 33.632 1.00 0.00 ATOM 842 N LYS 103 18.493 13.629 32.754 1.00 0.00 ATOM 843 CA LYS 103 17.863 14.270 31.607 1.00 0.00 ATOM 844 CB LYS 103 17.141 13.322 30.722 1.00 0.00 ATOM 845 CG LYS 103 18.095 12.673 29.735 1.00 0.00 ATOM 846 CD LYS 103 17.485 11.470 29.045 1.00 0.00 ATOM 847 CE LYS 103 18.464 10.907 28.023 1.00 0.00 ATOM 848 NZ LYS 103 18.141 9.506 27.660 1.00 0.00 ATOM 849 O LYS 103 16.792 16.422 31.602 1.00 0.00 ATOM 850 C LYS 103 16.860 15.307 32.123 1.00 0.00 ATOM 851 N ASP 104 16.096 14.939 33.131 1.00 0.00 ATOM 852 CA ASP 104 15.123 15.862 33.718 1.00 0.00 ATOM 853 CB ASP 104 14.200 15.167 34.718 1.00 0.00 ATOM 854 CG ASP 104 13.255 14.132 34.099 1.00 0.00 ATOM 855 OD1 ASP 104 13.118 14.143 32.860 1.00 0.00 ATOM 856 OD2 ASP 104 12.596 13.412 34.870 1.00 0.00 ATOM 857 O ASP 104 15.396 18.166 34.308 1.00 0.00 ATOM 858 C ASP 104 15.846 17.021 34.380 1.00 0.00 ATOM 859 N LYS 105 16.970 16.727 35.026 1.00 0.00 ATOM 860 CA LYS 105 17.746 17.762 35.699 1.00 0.00 ATOM 861 CB LYS 105 18.839 17.243 36.627 1.00 0.00 ATOM 862 CG LYS 105 18.403 16.252 37.724 1.00 0.00 ATOM 863 CD LYS 105 16.977 16.586 38.386 1.00 0.00 ATOM 864 CE LYS 105 16.363 15.419 39.247 1.00 0.00 ATOM 865 NZ LYS 105 16.229 14.039 38.546 1.00 0.00 ATOM 866 O LYS 105 18.222 19.981 34.924 1.00 0.00 ATOM 867 C LYS 105 18.224 18.777 34.667 1.00 0.00 ATOM 868 N PHE 106 18.632 18.290 33.500 1.00 0.00 ATOM 869 CA PHE 106 19.112 19.172 32.436 1.00 0.00 ATOM 870 CB PHE 106 19.828 18.280 31.356 1.00 0.00 ATOM 871 CG PHE 106 20.224 19.004 30.094 1.00 0.00 ATOM 872 CD1 PHE 106 21.439 19.705 30.027 1.00 0.00 ATOM 873 CD2 PHE 106 19.446 18.890 28.953 1.00 0.00 ATOM 874 CE1 PHE 106 21.865 20.268 28.821 1.00 0.00 ATOM 875 CE2 PHE 106 19.871 19.451 27.733 1.00 0.00 ATOM 876 CZ PHE 106 21.088 20.137 27.675 1.00 0.00 ATOM 877 O PHE 106 18.113 21.186 31.535 1.00 0.00 ATOM 878 C PHE 106 17.952 19.994 31.805 1.00 0.00 ATOM 879 N THR 107 16.810 19.352 31.580 1.00 0.00 ATOM 880 CA THR 107 15.662 20.035 30.996 1.00 0.00 ATOM 881 CB THR 107 14.518 19.048 30.704 1.00 0.00 ATOM 882 CG2 THR 107 13.302 19.732 30.083 1.00 0.00 ATOM 883 OG1 THR 107 14.986 18.061 29.766 1.00 0.00 ATOM 884 O THR 107 14.672 22.187 31.370 1.00 0.00 ATOM 885 C THR 107 15.099 21.147 31.873 1.00 0.00 ATOM 886 N ILE 108 15.102 20.929 33.184 1.00 0.00 ATOM 887 CA ILE 108 14.584 21.938 34.137 1.00 0.00 ATOM 888 CB ILE 108 14.446 21.381 35.600 1.00 0.00 ATOM 889 CG1 ILE 108 13.567 22.323 36.433 1.00 0.00 ATOM 890 CG2 ILE 108 15.829 21.254 36.228 1.00 0.00 ATOM 891 CD1 ILE 108 13.271 21.828 37.840 1.00 0.00 ATOM 892 O ILE 108 16.657 23.054 33.946 1.00 0.00 ATOM 893 C ILE 108 15.435 23.140 34.073 1.00 0.00 ATOM 894 N LYS 109 14.799 24.304 34.160 1.00 0.00 ATOM 895 CA LYS 109 15.527 25.567 34.112 1.00 0.00 ATOM 896 CB LYS 109 14.489 26.672 33.934 1.00 0.00 ATOM 897 CG LYS 109 13.768 26.600 32.584 1.00 0.00 ATOM 898 CD LYS 109 12.762 27.739 32.510 1.00 0.00 ATOM 899 CE LYS 109 12.027 27.754 31.173 1.00 0.00 ATOM 900 NZ LYS 109 11.156 28.936 31.092 1.00 0.00 ATOM 901 O LYS 109 16.302 24.786 36.283 1.00 0.00 ATOM 902 C LYS 109 16.297 25.721 35.438 1.00 0.00 TER END