PFRMAT TS TARGET T0382 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD This target got weak hits all around. The top three consensus hit were METHOD 2a9uA, 1h5zA and 2a5dB. E-values started at .5 and quickly went up. The METHOD BLAST results had a best e-value of .021 for 1vlyA and 1nrkA. We concluded METHOD this was a weak fold-recognition or new-fold. The EHL2 predictions METHOD (similar to standard EHL) indicated an all helical structure. One sticking METHOD point was the region around G31. Was this helical or was there a break? We METHOD examined our other local structure predictions and decided from the ones METHOD predicting hydrogen bond connections that there was a break. This required METHOD adjusting the helical constraints that had been automatically generated METHOD for try1. METHOD METHOD Model 1 is try3-opt2 which was based on 1h5zA (as best as we can METHOD determine). This is the results of the constraints used for try2 but with METHOD greatly reduced weight on generating beta sheet h-bonds. Try3 got the best METHOD Rosetta score and the second best in our unconstrained scoring. We chose METHOD it over Model 2 on its appearance. METHOD METHOD Model 2 is try2-opt2. This is based on 1mgrA as was try1, however try2 has METHOD a different solution. This did have helical constraints that included a METHOD break at G31 which try1 did not have, but we don't believe that made a lot METHOD of difference; undertaker simply found a different structure. METHOD METHOD Model 3 is try12-opt2 which is based on 2a9uA. 2a9uA had the best e-value METHOD in our group of best scoring templates. The results is a near bundle of METHOD helices. I don't like the way two of the helices fell between the first METHOD two but I don't think we can really fix that. We've tried before on a METHOD similar target. METHOD METHOD Model 4 is try4-opt2 which is based on 1hlvA. 1hlvA was the best scoring METHOD of pdb templates selected by "alphabetmatch" using the ehl2 and METHOD near-backbone-11 local structure alphabet predictions. It has an appealing METHOD cross-hatch structure. METHOD METHOD Model 5 is try7-opt2 which is based on 1gqaA. 1gqaA comes from the METHOD alphabetmatch program and is a representative of SCOP domain 1.20.120.10. METHOD try7-opt2's best distinction is having the second best score using METHOD Rosetta. REMARK 6 REMARK 6 T0382 model 2 Fri Aug 4 21:49:49 2006 MODEL 2 PARENT 2a9u_A 1h5z_A 2a5d_B 1s5e_A 1u13_A REMARK 7 REMARK 7 ALLPARENTS 2a9u_A 1h5z_A 2a5d_B 1s5e_A 1u13_A 1x8v_A 1yn9_A REMARK 7 ALLPARENTS 1fav_A 1ea1_A 1hlv_A 6pax_A 1oqc_A 1ngk_A 1ors_C REMARK 7 ALLPARENTS 1gqa_A 2ccy_A 1a7v_A 1k40_A 1t6u_A ATOM 1 N MET 1 -7.120 -6.107 -8.413 1.00 0.00 ATOM 2 CA MET 1 -8.488 -6.643 -8.113 1.00 0.00 ATOM 3 CB MET 1 -9.485 -5.308 -8.503 1.00 0.00 ATOM 4 CG MET 1 -10.718 -4.919 -7.705 1.00 0.00 ATOM 5 SD MET 1 -11.409 -3.335 -8.250 1.00 0.00 ATOM 6 CE MET 1 -12.179 -3.813 -9.734 1.00 0.00 ATOM 7 O MET 1 -9.736 -8.577 -8.774 1.00 0.00 ATOM 8 C MET 1 -8.894 -7.736 -9.083 1.00 0.00 ATOM 9 N SER 2 -8.301 -7.704 -10.270 1.00 0.00 ATOM 10 CA SER 2 -8.592 -8.703 -11.284 1.00 0.00 ATOM 11 CB SER 2 -9.518 -8.097 -12.362 1.00 0.00 ATOM 12 OG SER 2 -10.740 -7.698 -11.798 1.00 0.00 ATOM 13 O SER 2 -6.351 -8.393 -12.114 1.00 0.00 ATOM 14 C SER 2 -7.326 -9.135 -12.019 1.00 0.00 ATOM 15 N LYS 3 -7.340 -10.370 -12.534 1.00 0.00 ATOM 16 CA LYS 3 -6.247 -10.863 -13.365 1.00 0.00 ATOM 17 CB LYS 3 -6.538 -12.287 -13.841 1.00 0.00 ATOM 18 CG LYS 3 -5.435 -12.895 -14.692 1.00 0.00 ATOM 19 CD LYS 3 -5.758 -14.331 -15.070 1.00 0.00 ATOM 20 CE LYS 3 -4.678 -14.924 -15.961 1.00 0.00 ATOM 21 NZ LYS 3 -4.993 -16.324 -16.359 1.00 0.00 ATOM 22 O LYS 3 -4.951 -9.606 -14.942 1.00 0.00 ATOM 23 C LYS 3 -6.071 -9.974 -14.590 1.00 0.00 ATOM 24 N LEU 4 -7.181 -9.629 -15.228 1.00 0.00 ATOM 25 CA LEU 4 -7.132 -8.775 -16.407 1.00 0.00 ATOM 26 CB LEU 4 -8.504 -8.729 -17.079 1.00 0.00 ATOM 27 CG LEU 4 -8.970 -10.075 -17.692 1.00 0.00 ATOM 28 CD1 LEU 4 -10.437 -9.948 -18.076 1.00 0.00 ATOM 29 CD2 LEU 4 -8.121 -10.413 -18.905 1.00 0.00 ATOM 30 O LEU 4 -5.877 -6.765 -16.811 1.00 0.00 ATOM 31 C LEU 4 -6.656 -7.357 -16.062 1.00 0.00 ATOM 32 N ASP 5 -7.081 -6.843 -14.922 1.00 0.00 ATOM 33 CA ASP 5 -6.625 -5.537 -14.453 1.00 0.00 ATOM 34 CB ASP 5 -7.351 -5.097 -13.222 1.00 0.00 ATOM 35 CG ASP 5 -8.825 -4.783 -13.416 1.00 0.00 ATOM 36 OD1 ASP 5 -9.285 -4.647 -14.558 1.00 0.00 ATOM 37 OD2 ASP 5 -9.523 -4.677 -12.366 1.00 0.00 ATOM 38 O ASP 5 -4.418 -4.598 -14.579 1.00 0.00 ATOM 39 C ASP 5 -5.107 -5.563 -14.227 1.00 0.00 ATOM 40 N LEU 6 -4.601 -6.636 -13.640 1.00 0.00 ATOM 41 CA LEU 6 -3.154 -6.744 -13.421 1.00 0.00 ATOM 42 CB LEU 6 -2.926 -7.897 -12.421 1.00 0.00 ATOM 43 CG LEU 6 -1.519 -8.396 -12.122 1.00 0.00 ATOM 44 CD1 LEU 6 -0.700 -7.311 -11.466 1.00 0.00 ATOM 45 CD2 LEU 6 -1.627 -9.639 -11.219 1.00 0.00 ATOM 46 O LEU 6 -1.378 -6.224 -14.976 1.00 0.00 ATOM 47 C LEU 6 -2.437 -6.812 -14.759 1.00 0.00 ATOM 48 N HIS 7 -2.989 -7.580 -15.694 1.00 0.00 ATOM 49 CA HIS 7 -2.396 -7.602 -17.035 1.00 0.00 ATOM 50 CB HIS 7 -3.225 -8.534 -17.957 1.00 0.00 ATOM 51 CG HIS 7 -2.507 -8.720 -19.259 1.00 0.00 ATOM 52 CD2 HIS 7 -2.424 -7.965 -20.349 1.00 0.00 ATOM 53 ND1 HIS 7 -1.725 -9.853 -19.505 1.00 0.00 ATOM 54 CE1 HIS 7 -1.201 -9.729 -20.692 1.00 0.00 ATOM 55 NE2 HIS 7 -1.618 -8.563 -21.248 1.00 0.00 ATOM 56 O HIS 7 -1.321 -5.796 -18.179 1.00 0.00 ATOM 57 C HIS 7 -2.352 -6.193 -17.635 1.00 0.00 ATOM 58 N GLN 8 -3.448 -5.453 -17.571 1.00 0.00 ATOM 59 CA GLN 8 -3.483 -4.106 -18.120 1.00 0.00 ATOM 60 CB GLN 8 -4.885 -3.507 -17.982 1.00 0.00 ATOM 61 CG GLN 8 -5.923 -4.141 -18.894 1.00 0.00 ATOM 62 CD GLN 8 -7.320 -3.603 -18.650 1.00 0.00 ATOM 63 OE1 GLN 8 -7.539 -2.813 -17.730 1.00 0.00 ATOM 64 NE2 GLN 8 -8.269 -4.030 -19.473 1.00 0.00 ATOM 65 O GLN 8 -1.782 -2.421 -18.002 1.00 0.00 ATOM 66 C GLN 8 -2.498 -3.206 -17.382 1.00 0.00 ATOM 67 N MET 9 -2.450 -3.333 -16.057 1.00 0.00 ATOM 68 CA MET 9 -1.531 -2.539 -15.242 1.00 0.00 ATOM 69 CB MET 9 -2.306 -1.696 -14.228 1.00 0.00 ATOM 70 CG MET 9 -1.432 -0.793 -13.373 1.00 0.00 ATOM 71 SD MET 9 -2.386 0.218 -12.225 1.00 0.00 ATOM 72 CE MET 9 -3.086 1.429 -13.344 1.00 0.00 ATOM 73 O MET 9 -1.035 -4.380 -13.755 1.00 0.00 ATOM 74 C MET 9 -0.594 -3.508 -14.502 1.00 0.00 ATOM 75 N THR 10 0.707 -3.370 -14.727 1.00 0.00 ATOM 76 CA THR 10 1.680 -4.257 -14.106 1.00 0.00 ATOM 77 CB THR 10 3.073 -4.103 -14.745 1.00 0.00 ATOM 78 CG2 THR 10 3.010 -4.395 -16.237 1.00 0.00 ATOM 79 OG1 THR 10 3.543 -2.763 -14.555 1.00 0.00 ATOM 80 O THR 10 1.660 -2.781 -12.261 1.00 0.00 ATOM 81 C THR 10 1.885 -3.942 -12.648 1.00 0.00 ATOM 82 N THR 11 2.331 -4.934 -11.860 1.00 0.00 ATOM 83 CA THR 11 2.550 -4.662 -10.440 1.00 0.00 ATOM 84 CB THR 11 3.101 -5.932 -9.766 1.00 0.00 ATOM 85 CG2 THR 11 3.396 -5.670 -8.296 1.00 0.00 ATOM 86 OG1 THR 11 2.134 -6.985 -9.862 1.00 0.00 ATOM 87 O THR 11 3.365 -2.711 -9.321 1.00 0.00 ATOM 88 C THR 11 3.560 -3.563 -10.193 1.00 0.00 ATOM 89 N GLN 12 4.626 -3.561 -10.979 1.00 0.00 ATOM 90 CA GLN 12 5.676 -2.586 -10.852 1.00 0.00 ATOM 91 CB GLN 12 6.791 -2.864 -11.861 1.00 0.00 ATOM 92 CG GLN 12 7.613 -4.104 -11.553 1.00 0.00 ATOM 93 CD GLN 12 8.619 -4.424 -12.641 1.00 0.00 ATOM 94 OE1 GLN 12 8.657 -3.762 -13.677 1.00 0.00 ATOM 95 NE2 GLN 12 9.439 -5.443 -12.408 1.00 0.00 ATOM 96 O GLN 12 5.466 -0.249 -10.324 1.00 0.00 ATOM 97 C GLN 12 5.157 -1.164 -11.087 1.00 0.00 ATOM 98 N ASP 13 4.397 -0.954 -12.164 1.00 0.00 ATOM 99 CA ASP 13 3.872 0.377 -12.471 1.00 0.00 ATOM 100 CB ASP 13 2.972 0.332 -13.707 1.00 0.00 ATOM 101 CG ASP 13 3.758 0.176 -14.994 1.00 0.00 ATOM 102 OD1 ASP 13 4.996 0.339 -14.957 1.00 0.00 ATOM 103 OD2 ASP 13 3.137 -0.111 -16.038 1.00 0.00 ATOM 104 O ASP 13 3.152 2.159 -11.007 1.00 0.00 ATOM 105 C ASP 13 3.042 0.965 -11.327 1.00 0.00 ATOM 106 N LEU 14 2.190 0.127 -10.721 1.00 0.00 ATOM 107 CA LEU 14 1.348 0.543 -9.606 1.00 0.00 ATOM 108 CB LEU 14 0.400 -0.573 -9.159 1.00 0.00 ATOM 109 CG LEU 14 -0.535 -0.240 -7.996 1.00 0.00 ATOM 110 CD1 LEU 14 -1.459 0.912 -8.360 1.00 0.00 ATOM 111 CD2 LEU 14 -1.395 -1.442 -7.637 1.00 0.00 ATOM 112 O LEU 14 1.952 1.864 -7.707 1.00 0.00 ATOM 113 C LEU 14 2.245 0.920 -8.444 1.00 0.00 ATOM 114 N VAL 15 3.321 0.155 -8.259 1.00 0.00 ATOM 115 CA VAL 15 4.268 0.438 -7.176 1.00 0.00 ATOM 116 CB VAL 15 5.363 -0.642 -7.087 1.00 0.00 ATOM 117 CG1 VAL 15 6.439 -0.227 -6.095 1.00 0.00 ATOM 118 CG2 VAL 15 4.770 -1.965 -6.629 1.00 0.00 ATOM 119 O VAL 15 5.039 2.576 -6.466 1.00 0.00 ATOM 120 C VAL 15 4.930 1.790 -7.398 1.00 0.00 ATOM 121 N ALA 16 5.345 2.079 -8.651 1.00 0.00 ATOM 122 CA ALA 16 5.900 3.389 -8.995 1.00 0.00 ATOM 123 CB ALA 16 6.191 3.454 -10.487 1.00 0.00 ATOM 124 O ALA 16 5.246 5.525 -8.079 1.00 0.00 ATOM 125 C ALA 16 4.907 4.502 -8.698 1.00 0.00 ATOM 126 N LEU 17 3.627 4.281 -9.052 1.00 0.00 ATOM 127 CA LEU 17 2.560 5.242 -8.787 1.00 0.00 ATOM 128 CB LEU 17 1.221 4.756 -9.346 1.00 0.00 ATOM 129 CG LEU 17 0.017 5.671 -9.110 1.00 0.00 ATOM 130 CD1 LEU 17 0.227 7.020 -9.781 1.00 0.00 ATOM 131 CD2 LEU 17 -1.249 5.049 -9.679 1.00 0.00 ATOM 132 O LEU 17 2.365 6.586 -6.795 1.00 0.00 ATOM 133 C LEU 17 2.408 5.447 -7.287 1.00 0.00 ATOM 134 N PHE 18 2.266 4.350 -6.554 1.00 0.00 ATOM 135 CA PHE 18 2.057 4.429 -5.107 1.00 0.00 ATOM 136 CB PHE 18 2.055 3.028 -4.490 1.00 0.00 ATOM 137 CG PHE 18 1.893 3.025 -2.996 1.00 0.00 ATOM 138 CD1 PHE 18 0.641 3.161 -2.421 1.00 0.00 ATOM 139 CD2 PHE 18 2.992 2.887 -2.166 1.00 0.00 ATOM 140 CE1 PHE 18 0.491 3.158 -1.047 1.00 0.00 ATOM 141 CE2 PHE 18 2.842 2.883 -0.792 1.00 0.00 ATOM 142 CZ PHE 18 1.600 3.018 -0.231 1.00 0.00 ATOM 143 O PHE 18 2.848 5.942 -3.413 1.00 0.00 ATOM 144 C PHE 18 3.160 5.164 -4.322 1.00 0.00 ATOM 145 N ALA 19 4.451 5.040 -4.728 1.00 0.00 ATOM 146 CA ALA 19 5.529 5.833 -4.119 1.00 0.00 ATOM 147 CB ALA 19 6.855 5.438 -4.751 1.00 0.00 ATOM 148 O ALA 19 5.562 8.151 -3.477 1.00 0.00 ATOM 149 C ALA 19 5.341 7.334 -4.372 1.00 0.00 ATOM 150 N LYS 20 4.910 7.674 -5.575 1.00 0.00 ATOM 151 CA LYS 20 4.689 9.073 -5.956 1.00 0.00 ATOM 152 CB LYS 20 4.413 9.197 -7.456 1.00 0.00 ATOM 153 CG LYS 20 5.618 8.905 -8.336 1.00 0.00 ATOM 154 CD LYS 20 5.275 9.051 -9.809 1.00 0.00 ATOM 155 CE LYS 20 6.471 8.726 -10.689 1.00 0.00 ATOM 156 NZ LYS 20 6.143 8.841 -12.136 1.00 0.00 ATOM 157 O LYS 20 3.584 10.779 -4.684 1.00 0.00 ATOM 158 C LYS 20 3.512 9.655 -5.185 1.00 0.00 ATOM 159 N VAL 21 2.451 8.898 -5.108 1.00 0.00 ATOM 160 CA VAL 21 1.269 9.349 -4.378 1.00 0.00 ATOM 161 CB VAL 21 0.159 8.283 -4.447 1.00 0.00 ATOM 162 CG1 VAL 21 -0.992 8.654 -3.523 1.00 0.00 ATOM 163 CG2 VAL 21 -0.381 8.170 -5.864 1.00 0.00 ATOM 164 O VAL 21 1.210 10.571 -2.314 1.00 0.00 ATOM 165 C VAL 21 1.622 9.584 -2.901 1.00 0.00 ATOM 166 N THR 22 2.387 8.660 -2.308 1.00 0.00 ATOM 167 CA THR 22 2.804 8.780 -0.911 1.00 0.00 ATOM 168 CB THR 22 3.690 7.597 -0.481 1.00 0.00 ATOM 169 CG2 THR 22 4.144 7.767 0.960 1.00 0.00 ATOM 170 OG1 THR 22 2.949 6.375 -0.594 1.00 0.00 ATOM 171 O THR 22 3.343 10.773 0.358 1.00 0.00 ATOM 172 C THR 22 3.611 10.046 -0.616 1.00 0.00 ATOM 173 N VAL 23 4.576 10.335 -1.468 1.00 0.00 ATOM 174 CA VAL 23 5.382 11.513 -1.293 1.00 0.00 ATOM 175 CB VAL 23 6.494 11.598 -2.356 1.00 0.00 ATOM 176 CG1 VAL 23 7.205 12.941 -2.277 1.00 0.00 ATOM 177 CG2 VAL 23 7.522 10.497 -2.141 1.00 0.00 ATOM 178 O VAL 23 4.730 13.698 -0.559 1.00 0.00 ATOM 179 C VAL 23 4.556 12.788 -1.368 1.00 0.00 ATOM 180 N GLU 24 3.635 12.881 -2.362 1.00 0.00 ATOM 181 CA GLU 24 2.790 14.056 -2.518 1.00 0.00 ATOM 182 CB GLU 24 1.900 13.952 -3.759 1.00 0.00 ATOM 183 CG GLU 24 2.658 14.038 -5.074 1.00 0.00 ATOM 184 CD GLU 24 1.764 13.809 -6.277 1.00 0.00 ATOM 185 OE1 GLU 24 0.568 13.510 -6.080 1.00 0.00 ATOM 186 OE2 GLU 24 2.262 13.927 -7.417 1.00 0.00 ATOM 187 O GLU 24 1.701 15.376 -0.853 1.00 0.00 ATOM 188 C GLU 24 1.870 14.257 -1.298 1.00 0.00 ATOM 189 N GLN 25 1.266 13.178 -0.785 1.00 0.00 ATOM 190 CA GLN 25 0.396 13.229 0.400 1.00 0.00 ATOM 191 CB GLN 25 -0.091 11.826 0.768 1.00 0.00 ATOM 192 CG GLN 25 -1.027 11.789 1.966 1.00 0.00 ATOM 193 CD GLN 25 -1.505 10.386 2.288 1.00 0.00 ATOM 194 OE1 GLN 25 -1.070 9.416 1.668 1.00 0.00 ATOM 195 NE2 GLN 25 -2.402 10.277 3.260 1.00 0.00 ATOM 196 O GLN 25 0.739 14.657 2.317 1.00 0.00 ATOM 197 C GLN 25 1.208 13.801 1.563 1.00 0.00 ATOM 198 N ASP 26 2.423 13.295 1.731 1.00 0.00 ATOM 199 CA ASP 26 3.298 13.740 2.815 1.00 0.00 ATOM 200 CB ASP 26 4.612 12.957 2.799 1.00 0.00 ATOM 201 CG ASP 26 5.508 13.300 3.972 1.00 0.00 ATOM 202 OD1 ASP 26 5.093 13.066 5.126 1.00 0.00 ATOM 203 OD2 ASP 26 6.627 13.805 3.737 1.00 0.00 ATOM 204 O ASP 26 3.560 15.969 3.641 1.00 0.00 ATOM 205 C ASP 26 3.625 15.228 2.662 1.00 0.00 ATOM 206 N ASP 27 3.929 15.673 1.445 1.00 0.00 ATOM 207 CA ASP 27 4.169 17.091 1.218 1.00 0.00 ATOM 208 CB ASP 27 4.496 17.350 -0.254 1.00 0.00 ATOM 209 CG ASP 27 5.876 16.856 -0.641 1.00 0.00 ATOM 210 OD1 ASP 27 6.668 16.534 0.270 1.00 0.00 ATOM 211 OD2 ASP 27 6.164 16.791 -1.855 1.00 0.00 ATOM 212 O ASP 27 2.981 18.920 2.329 1.00 0.00 ATOM 213 C ASP 27 2.904 17.896 1.615 1.00 0.00 ATOM 214 N ALA 28 1.743 17.434 1.166 1.00 0.00 ATOM 215 CA ALA 28 0.471 18.117 1.485 1.00 0.00 ATOM 216 CB ALA 28 -0.696 17.402 0.819 1.00 0.00 ATOM 217 O ALA 28 -0.199 19.145 3.567 1.00 0.00 ATOM 218 C ALA 28 0.236 18.134 3.010 1.00 0.00 ATOM 219 N LEU 29 0.549 17.023 3.674 1.00 0.00 ATOM 220 CA LEU 29 0.386 16.924 5.112 1.00 0.00 ATOM 221 CB LEU 29 0.817 15.571 5.662 1.00 0.00 ATOM 222 CG LEU 29 0.766 15.410 7.192 1.00 0.00 ATOM 223 CD1 LEU 29 -0.634 15.733 7.748 1.00 0.00 ATOM 224 CD2 LEU 29 1.192 13.993 7.594 1.00 0.00 ATOM 225 O LEU 29 0.733 18.681 6.676 1.00 0.00 ATOM 226 C LEU 29 1.250 17.977 5.812 1.00 0.00 ATOM 227 N LEU 30 2.526 18.122 5.459 1.00 0.00 ATOM 228 CA LEU 30 3.425 19.145 5.979 1.00 0.00 ATOM 229 CB LEU 30 4.834 18.929 5.421 1.00 0.00 ATOM 230 CG LEU 30 5.555 17.660 5.877 1.00 0.00 ATOM 231 CD1 LEU 30 6.872 17.494 5.134 1.00 0.00 ATOM 232 CD2 LEU 30 5.855 17.717 7.367 1.00 0.00 ATOM 233 O LEU 30 3.118 21.458 6.446 1.00 0.00 ATOM 234 C LEU 30 2.940 20.532 5.615 1.00 0.00 ATOM 235 N GLY 31 2.353 20.696 4.439 1.00 0.00 ATOM 236 CA GLY 31 1.823 21.992 4.049 1.00 0.00 ATOM 237 O GLY 31 -0.101 23.317 4.642 1.00 0.00 ATOM 238 C GLY 31 0.519 22.235 4.807 1.00 0.00 ATOM 239 N ASN 32 0.079 21.254 5.662 1.00 0.00 ATOM 240 CA ASN 32 -1.171 21.438 6.400 1.00 0.00 ATOM 241 CB ASN 32 -1.018 22.566 7.441 1.00 0.00 ATOM 242 CG ASN 32 0.260 22.447 8.250 1.00 0.00 ATOM 243 ND2 ASN 32 0.562 21.239 8.701 1.00 0.00 ATOM 244 OD1 ASN 32 0.976 23.428 8.449 1.00 0.00 ATOM 245 O ASN 32 -3.377 22.370 5.961 1.00 0.00 ATOM 246 C ASN 32 -2.425 21.682 5.550 1.00 0.00 ATOM 247 N GLN 33 -2.243 21.156 4.272 1.00 0.00 ATOM 248 CA GLN 33 -3.339 21.326 3.328 1.00 0.00 ATOM 249 CB GLN 33 -2.753 21.954 1.982 1.00 0.00 ATOM 250 CG GLN 33 -1.795 23.090 2.258 1.00 0.00 ATOM 251 CD GLN 33 -1.163 23.678 0.986 1.00 0.00 ATOM 252 OE1 GLN 33 -0.822 24.844 0.959 1.00 0.00 ATOM 253 NE2 GLN 33 -0.999 22.856 -0.055 1.00 0.00 ATOM 254 O GLN 33 -4.041 19.054 2.809 1.00 0.00 ATOM 255 C GLN 33 -4.164 20.026 3.520 1.00 0.00 ATOM 256 N ILE 34 -5.048 20.077 4.551 1.00 0.00 ATOM 257 CA ILE 34 -5.872 18.964 4.933 1.00 0.00 ATOM 258 CB ILE 34 -6.793 19.245 6.135 1.00 0.00 ATOM 259 CG1 ILE 34 -5.963 19.574 7.378 1.00 0.00 ATOM 260 CG2 ILE 34 -7.656 18.030 6.440 1.00 0.00 ATOM 261 CD1 ILE 34 -6.778 20.114 8.533 1.00 0.00 ATOM 262 O ILE 34 -6.859 17.122 3.807 1.00 0.00 ATOM 263 C ILE 34 -6.755 18.341 3.853 1.00 0.00 ATOM 264 N SER 35 -7.364 19.162 2.995 1.00 0.00 ATOM 265 CA SER 35 -8.210 18.632 1.914 1.00 0.00 ATOM 266 CB SER 35 -8.907 19.773 1.171 1.00 0.00 ATOM 267 OG SER 35 -9.831 20.439 2.012 1.00 0.00 ATOM 268 O SER 35 -7.768 16.674 0.536 1.00 0.00 ATOM 269 C SER 35 -7.406 17.808 0.902 1.00 0.00 ATOM 270 N ARG 36 -6.293 18.372 0.419 1.00 0.00 ATOM 271 CA ARG 36 -5.460 17.645 -0.559 1.00 0.00 ATOM 272 CB ARG 36 -4.394 18.619 -1.120 1.00 0.00 ATOM 273 CG ARG 36 -4.935 19.724 -2.002 1.00 0.00 ATOM 274 CD ARG 36 -3.825 20.670 -2.417 1.00 0.00 ATOM 275 NE ARG 36 -4.267 21.606 -3.444 1.00 0.00 ATOM 276 CZ ARG 36 -3.496 22.552 -3.972 1.00 0.00 ATOM 277 NH1 ARG 36 -2.241 22.696 -3.565 1.00 0.00 ATOM 278 NH2 ARG 36 -3.975 23.342 -4.924 1.00 0.00 ATOM 279 O ARG 36 -4.718 15.368 -0.529 1.00 0.00 ATOM 280 C ARG 36 -4.823 16.423 0.093 1.00 0.00 ATOM 281 N PHE 37 -4.422 16.559 1.355 1.00 0.00 ATOM 282 CA PHE 37 -3.885 15.421 2.102 1.00 0.00 ATOM 283 CB PHE 37 -3.434 15.975 3.486 1.00 0.00 ATOM 284 CG PHE 37 -2.930 14.929 4.466 1.00 0.00 ATOM 285 CD1 PHE 37 -1.940 14.061 4.075 1.00 0.00 ATOM 286 CD2 PHE 37 -3.469 14.838 5.749 1.00 0.00 ATOM 287 CE1 PHE 37 -1.447 13.113 4.977 1.00 0.00 ATOM 288 CE2 PHE 37 -2.936 13.916 6.649 1.00 0.00 ATOM 289 CZ PHE 37 -1.952 13.024 6.267 1.00 0.00 ATOM 290 O PHE 37 -4.553 13.116 1.966 1.00 0.00 ATOM 291 C PHE 37 -4.884 14.273 2.229 1.00 0.00 ATOM 292 N ASN 38 -6.119 14.594 2.645 1.00 0.00 ATOM 293 CA ASN 38 -7.138 13.568 2.817 1.00 0.00 ATOM 294 CB ASN 38 -8.444 14.176 3.327 1.00 0.00 ATOM 295 CG ASN 38 -8.355 14.617 4.776 1.00 0.00 ATOM 296 ND2 ASN 38 -9.266 15.494 5.183 1.00 0.00 ATOM 297 OD1 ASN 38 -7.478 14.175 5.515 1.00 0.00 ATOM 298 O ASN 38 -7.516 11.646 1.426 1.00 0.00 ATOM 299 C ASN 38 -7.423 12.873 1.488 1.00 0.00 ATOM 300 N ARG 39 -7.543 13.655 0.402 1.00 0.00 ATOM 301 CA ARG 39 -7.820 13.109 -0.919 1.00 0.00 ATOM 302 CB ARG 39 -7.900 14.290 -1.896 1.00 0.00 ATOM 303 CG ARG 39 -8.222 13.980 -3.304 1.00 0.00 ATOM 304 CD ARG 39 -8.695 15.219 -4.077 1.00 0.00 ATOM 305 NE ARG 39 -7.756 16.348 -4.037 1.00 0.00 ATOM 306 CZ ARG 39 -7.900 17.484 -3.326 1.00 0.00 ATOM 307 NH1 ARG 39 -8.926 17.702 -2.490 1.00 0.00 ATOM 308 NH2 ARG 39 -6.969 18.424 -3.433 1.00 0.00 ATOM 309 O ARG 39 -7.011 11.075 -1.948 1.00 0.00 ATOM 310 C ARG 39 -6.718 12.179 -1.430 1.00 0.00 ATOM 311 N LEU 40 -5.474 12.588 -1.315 1.00 0.00 ATOM 312 CA LEU 40 -4.330 11.722 -1.658 1.00 0.00 ATOM 313 CB LEU 40 -3.028 12.505 -1.484 1.00 0.00 ATOM 314 CG LEU 40 -2.843 13.723 -2.391 1.00 0.00 ATOM 315 CD1 LEU 40 -1.601 14.506 -1.993 1.00 0.00 ATOM 316 CD2 LEU 40 -2.690 13.296 -3.843 1.00 0.00 ATOM 317 O LEU 40 -4.099 9.342 -1.386 1.00 0.00 ATOM 318 C LEU 40 -4.336 10.453 -0.852 1.00 0.00 ATOM 319 N PHE 41 -4.584 10.589 0.457 1.00 0.00 ATOM 320 CA PHE 41 -4.636 9.432 1.329 1.00 0.00 ATOM 321 CB PHE 41 -4.755 9.843 2.798 1.00 0.00 ATOM 322 CG PHE 41 -5.153 8.694 3.669 1.00 0.00 ATOM 323 CD1 PHE 41 -4.201 7.734 4.036 1.00 0.00 ATOM 324 CD2 PHE 41 -6.460 8.550 4.093 1.00 0.00 ATOM 325 CE1 PHE 41 -4.520 6.697 4.811 1.00 0.00 ATOM 326 CE2 PHE 41 -6.822 7.491 4.887 1.00 0.00 ATOM 327 CZ PHE 41 -5.843 6.542 5.263 1.00 0.00 ATOM 328 O PHE 41 -5.706 7.319 0.906 1.00 0.00 ATOM 329 C PHE 41 -5.818 8.546 0.914 1.00 0.00 ATOM 330 N GLY 42 -6.961 9.163 0.588 1.00 0.00 ATOM 331 CA GLY 42 -8.123 8.411 0.147 1.00 0.00 ATOM 332 O GLY 42 -8.099 6.400 -1.167 1.00 0.00 ATOM 333 C GLY 42 -7.779 7.589 -1.084 1.00 0.00 ATOM 334 N VAL 43 -7.094 8.219 -2.029 1.00 0.00 ATOM 335 CA VAL 43 -6.668 7.563 -3.245 1.00 0.00 ATOM 336 CB VAL 43 -5.952 8.542 -4.193 1.00 0.00 ATOM 337 CG1 VAL 43 -5.339 7.795 -5.368 1.00 0.00 ATOM 338 CG2 VAL 43 -6.932 9.571 -4.736 1.00 0.00 ATOM 339 O VAL 43 -5.784 5.364 -3.574 1.00 0.00 ATOM 340 C VAL 43 -5.674 6.428 -2.978 1.00 0.00 ATOM 341 N MET 44 -4.694 6.629 -2.082 1.00 0.00 ATOM 342 CA MET 44 -3.748 5.574 -1.739 1.00 0.00 ATOM 343 CB MET 44 -3.077 6.299 -0.320 1.00 0.00 ATOM 344 CG MET 44 -1.855 5.826 0.384 1.00 0.00 ATOM 345 SD MET 44 -1.910 4.173 1.088 1.00 0.00 ATOM 346 CE MET 44 -2.560 4.474 2.715 1.00 0.00 ATOM 347 O MET 44 -4.056 3.216 -1.542 1.00 0.00 ATOM 348 C MET 44 -4.441 4.322 -1.196 1.00 0.00 ATOM 349 N ALA 45 -5.466 4.517 -0.368 1.00 0.00 ATOM 350 CA ALA 45 -6.180 3.402 0.239 1.00 0.00 ATOM 351 CB ALA 45 -7.276 3.912 1.162 1.00 0.00 ATOM 352 O ALA 45 -6.672 1.348 -0.861 1.00 0.00 ATOM 353 C ALA 45 -6.824 2.573 -0.866 1.00 0.00 ATOM 354 N GLU 46 -7.491 3.235 -1.813 1.00 0.00 ATOM 355 CA GLU 46 -8.123 2.501 -2.915 1.00 0.00 ATOM 356 CB GLU 46 -8.884 3.461 -3.832 1.00 0.00 ATOM 357 CG GLU 46 -10.151 4.033 -3.218 1.00 0.00 ATOM 358 CD GLU 46 -10.811 5.071 -4.106 1.00 0.00 ATOM 359 OE1 GLU 46 -10.238 5.396 -5.166 1.00 0.00 ATOM 360 OE2 GLU 46 -11.901 5.557 -3.739 1.00 0.00 ATOM 361 O GLU 46 -7.251 0.631 -4.208 1.00 0.00 ATOM 362 C GLU 46 -7.073 1.791 -3.775 1.00 0.00 ATOM 363 N ILE 47 -5.987 2.471 -3.989 1.00 0.00 ATOM 364 CA ILE 47 -4.908 1.889 -4.762 1.00 0.00 ATOM 365 CB ILE 47 -3.751 2.879 -4.989 1.00 0.00 ATOM 366 CG1 ILE 47 -4.199 4.022 -5.902 1.00 0.00 ATOM 367 CG2 ILE 47 -2.568 2.178 -5.640 1.00 0.00 ATOM 368 CD1 ILE 47 -3.219 5.173 -5.966 1.00 0.00 ATOM 369 O ILE 47 -4.113 -0.369 -4.771 1.00 0.00 ATOM 370 C ILE 47 -4.326 0.645 -4.106 1.00 0.00 ATOM 371 N ALA 48 -4.105 0.699 -2.782 1.00 0.00 ATOM 372 CA ALA 48 -3.546 -0.430 -2.044 1.00 0.00 ATOM 373 CB ALA 48 -3.177 -0.015 -0.628 1.00 0.00 ATOM 374 O ALA 48 -4.215 -2.736 -2.042 1.00 0.00 ATOM 375 C ALA 48 -4.573 -1.561 -2.004 1.00 0.00 ATOM 376 N ASP 49 -5.824 -1.191 -1.911 1.00 0.00 ATOM 377 CA ASP 49 -6.884 -2.203 -1.893 1.00 0.00 ATOM 378 CB ASP 49 -8.255 -1.540 -1.749 1.00 0.00 ATOM 379 CG ASP 49 -8.507 -1.020 -0.348 1.00 0.00 ATOM 380 OD1 ASP 49 -7.735 -1.377 0.567 1.00 0.00 ATOM 381 OD2 ASP 49 -9.476 -0.254 -0.164 1.00 0.00 ATOM 382 O ASP 49 -6.908 -4.210 -3.219 1.00 0.00 ATOM 383 C ASP 49 -6.855 -2.979 -3.205 1.00 0.00 ATOM 384 N GLU 50 -6.769 -2.249 -4.307 1.00 0.00 ATOM 385 CA GLU 50 -6.731 -2.877 -5.623 1.00 0.00 ATOM 386 CB GLU 50 -6.811 -1.818 -6.724 1.00 0.00 ATOM 387 CG GLU 50 -8.167 -1.138 -6.834 1.00 0.00 ATOM 388 CD GLU 50 -8.172 -0.013 -7.850 1.00 0.00 ATOM 389 OE1 GLU 50 -7.099 0.282 -8.415 1.00 0.00 ATOM 390 OE2 GLU 50 -9.251 0.572 -8.080 1.00 0.00 ATOM 391 O GLU 50 -5.478 -4.749 -6.446 1.00 0.00 ATOM 392 C GLU 50 -5.452 -3.681 -5.837 1.00 0.00 ATOM 393 N LEU 51 -4.338 -3.173 -5.331 1.00 0.00 ATOM 394 CA LEU 51 -3.070 -3.879 -5.476 1.00 0.00 ATOM 395 CB LEU 51 -1.903 -3.049 -4.938 1.00 0.00 ATOM 396 CG LEU 51 -0.515 -3.685 -5.040 1.00 0.00 ATOM 397 CD1 LEU 51 -0.149 -3.947 -6.492 1.00 0.00 ATOM 398 CD2 LEU 51 0.540 -2.768 -4.442 1.00 0.00 ATOM 399 O LEU 51 -2.644 -6.228 -5.179 1.00 0.00 ATOM 400 C LEU 51 -3.098 -5.174 -4.688 1.00 0.00 ATOM 401 N LYS 52 -3.585 -5.163 -3.455 1.00 0.00 ATOM 402 CA LYS 52 -3.728 -6.391 -2.675 1.00 0.00 ATOM 403 CB LYS 52 -4.177 -6.053 -1.244 1.00 0.00 ATOM 404 CG LYS 52 -4.229 -7.262 -0.321 1.00 0.00 ATOM 405 CD LYS 52 -4.546 -6.864 1.110 1.00 0.00 ATOM 406 CE LYS 52 -4.533 -8.076 2.030 1.00 0.00 ATOM 407 NZ LYS 52 -4.790 -7.705 3.452 1.00 0.00 ATOM 408 O LYS 52 -4.233 -8.587 -3.498 1.00 0.00 ATOM 409 C LYS 52 -4.580 -7.411 -3.428 1.00 0.00 ATOM 410 N ALA 53 -5.721 -6.963 -3.921 1.00 0.00 ATOM 411 CA ALA 53 -6.660 -7.833 -4.629 1.00 0.00 ATOM 412 CB ALA 53 -7.852 -7.031 -5.130 1.00 0.00 ATOM 413 O ALA 53 -6.242 -9.643 -6.170 1.00 0.00 ATOM 414 C ALA 53 -5.991 -8.471 -5.847 1.00 0.00 ATOM 415 N ARG 54 -5.120 -7.711 -6.513 1.00 0.00 ATOM 416 CA ARG 54 -4.384 -8.262 -7.647 1.00 0.00 ATOM 417 CB ARG 54 -3.548 -7.245 -8.371 1.00 0.00 ATOM 418 CG ARG 54 -4.371 -6.090 -8.941 1.00 0.00 ATOM 419 CD ARG 54 -3.870 -5.656 -10.307 1.00 0.00 ATOM 420 NE ARG 54 -2.612 -4.918 -10.242 1.00 0.00 ATOM 421 CZ ARG 54 -2.312 -3.876 -11.016 1.00 0.00 ATOM 422 NH1 ARG 54 -3.196 -3.410 -11.895 1.00 0.00 ATOM 423 NH2 ARG 54 -1.143 -3.263 -10.876 1.00 0.00 ATOM 424 O ARG 54 -3.436 -10.462 -7.805 1.00 0.00 ATOM 425 C ARG 54 -3.479 -9.382 -7.182 1.00 0.00 ATOM 426 N ASP 55 -2.715 -9.169 -6.079 1.00 0.00 ATOM 427 CA ASP 55 -1.808 -10.219 -5.571 1.00 0.00 ATOM 428 CB ASP 55 -1.140 -9.775 -4.267 1.00 0.00 ATOM 429 CG ASP 55 -0.120 -8.673 -4.483 1.00 0.00 ATOM 430 OD1 ASP 55 0.249 -8.424 -5.650 1.00 0.00 ATOM 431 OD2 ASP 55 0.309 -8.058 -3.483 1.00 0.00 ATOM 432 O ASP 55 -2.135 -12.601 -5.489 1.00 0.00 ATOM 433 C ASP 55 -2.624 -11.485 -5.253 1.00 0.00 ATOM 434 N GLY 56 -3.968 -11.390 -4.712 1.00 0.00 ATOM 435 CA GLY 56 -4.794 -12.575 -4.487 1.00 0.00 ATOM 436 O GLY 56 -4.827 -14.533 -5.866 1.00 0.00 ATOM 437 C GLY 56 -5.004 -13.318 -5.794 1.00 0.00 ATOM 438 N ASP 57 -5.350 -12.571 -6.848 1.00 0.00 ATOM 439 CA ASP 57 -5.584 -13.199 -8.143 1.00 0.00 ATOM 440 CB ASP 57 -6.080 -12.268 -9.184 1.00 0.00 ATOM 441 CG ASP 57 -7.536 -11.901 -8.956 1.00 0.00 ATOM 442 OD1 ASP 57 -8.261 -12.709 -8.339 1.00 0.00 ATOM 443 OD2 ASP 57 -7.958 -10.817 -9.409 1.00 0.00 ATOM 444 O ASP 57 -4.331 -14.934 -9.159 1.00 0.00 ATOM 445 C ASP 57 -4.302 -13.834 -8.629 1.00 0.00 ATOM 446 N GLN 58 -3.179 -13.109 -8.516 1.00 0.00 ATOM 447 CA GLN 58 -1.939 -13.622 -9.021 1.00 0.00 ATOM 448 CB GLN 58 -1.796 -13.292 -10.506 1.00 0.00 ATOM 449 CG GLN 58 -0.571 -13.911 -11.136 1.00 0.00 ATOM 450 CD GLN 58 -0.319 -13.392 -12.516 1.00 0.00 ATOM 451 OE1 GLN 58 0.673 -13.746 -13.135 1.00 0.00 ATOM 452 NE2 GLN 58 -1.214 -12.539 -13.007 1.00 0.00 ATOM 453 O GLN 58 0.228 -13.719 -7.950 1.00 0.00 ATOM 454 C GLN 58 -0.974 -13.972 -7.888 1.00 0.00 ATOM 455 N ARG 59 -1.543 -14.592 -6.857 1.00 0.00 ATOM 456 CA ARG 59 -0.845 -14.939 -5.634 1.00 0.00 ATOM 457 CB ARG 59 -1.845 -15.594 -4.641 1.00 0.00 ATOM 458 CG ARG 59 -1.289 -15.819 -3.230 1.00 0.00 ATOM 459 CD ARG 59 -2.279 -16.596 -2.352 1.00 0.00 ATOM 460 NE ARG 59 -3.571 -15.909 -2.234 1.00 0.00 ATOM 461 CZ ARG 59 -3.787 -14.825 -1.495 1.00 0.00 ATOM 462 NH1 ARG 59 -2.802 -14.288 -0.789 1.00 0.00 ATOM 463 NH2 ARG 59 -4.987 -14.259 -1.473 1.00 0.00 ATOM 464 O ARG 59 1.439 -15.668 -5.430 1.00 0.00 ATOM 465 C ARG 59 0.317 -15.878 -5.915 1.00 0.00 ATOM 466 N THR 60 0.107 -16.905 -6.723 1.00 0.00 ATOM 467 CA THR 60 1.181 -17.849 -7.058 1.00 0.00 ATOM 468 CB THR 60 0.646 -18.959 -7.983 1.00 0.00 ATOM 469 CG2 THR 60 1.766 -19.913 -8.371 1.00 0.00 ATOM 470 OG1 THR 60 -0.377 -19.697 -7.306 1.00 0.00 ATOM 471 O THR 60 3.488 -17.451 -7.490 1.00 0.00 ATOM 472 C THR 60 2.326 -17.175 -7.794 1.00 0.00 ATOM 473 N ALA 61 2.043 -16.297 -8.761 1.00 0.00 ATOM 474 CA ALA 61 3.105 -15.651 -9.541 1.00 0.00 ATOM 475 CB ALA 61 2.513 -14.738 -10.605 1.00 0.00 ATOM 476 O ALA 61 5.186 -14.813 -8.682 1.00 0.00 ATOM 477 C ALA 61 3.954 -14.751 -8.649 1.00 0.00 ATOM 478 N LEU 62 3.306 -13.913 -7.844 1.00 0.00 ATOM 479 CA LEU 62 4.027 -13.018 -6.949 1.00 0.00 ATOM 480 CB LEU 62 3.021 -12.148 -6.165 1.00 0.00 ATOM 481 CG LEU 62 3.611 -11.230 -5.097 1.00 0.00 ATOM 482 CD1 LEU 62 4.558 -10.205 -5.708 1.00 0.00 ATOM 483 CD2 LEU 62 2.486 -10.544 -4.341 1.00 0.00 ATOM 484 O LEU 62 6.003 -13.405 -5.635 1.00 0.00 ATOM 485 C LEU 62 4.865 -13.799 -5.940 1.00 0.00 ATOM 486 N LEU 63 4.321 -14.872 -5.385 1.00 0.00 ATOM 487 CA LEU 63 5.096 -15.694 -4.448 1.00 0.00 ATOM 488 CB LEU 63 4.179 -16.754 -3.848 1.00 0.00 ATOM 489 CG LEU 63 3.068 -16.221 -2.948 1.00 0.00 ATOM 490 CD1 LEU 63 2.244 -17.385 -2.385 1.00 0.00 ATOM 491 CD2 LEU 63 3.562 -15.329 -1.817 1.00 0.00 ATOM 492 O LEU 63 7.380 -16.344 -4.538 1.00 0.00 ATOM 493 C LEU 63 6.317 -16.309 -5.129 1.00 0.00 ATOM 494 N SER 64 6.169 -16.750 -6.374 1.00 0.00 ATOM 495 CA SER 64 7.303 -17.318 -7.136 1.00 0.00 ATOM 496 CB SER 64 6.831 -17.827 -8.500 1.00 0.00 ATOM 497 OG SER 64 5.950 -18.928 -8.356 1.00 0.00 ATOM 498 O SER 64 9.599 -16.531 -7.290 1.00 0.00 ATOM 499 C SER 64 8.388 -16.248 -7.360 1.00 0.00 ATOM 500 N LEU 65 7.942 -15.027 -7.647 1.00 0.00 ATOM 501 CA LEU 65 8.859 -13.910 -7.922 1.00 0.00 ATOM 502 CB LEU 65 8.090 -12.714 -8.487 1.00 0.00 ATOM 503 CG LEU 65 7.512 -12.884 -9.893 1.00 0.00 ATOM 504 CD1 LEU 65 6.628 -11.702 -10.258 1.00 0.00 ATOM 505 CD2 LEU 65 8.625 -12.982 -10.924 1.00 0.00 ATOM 506 O LEU 65 10.792 -13.271 -6.644 1.00 0.00 ATOM 507 C LEU 65 9.576 -13.476 -6.631 1.00 0.00 ATOM 508 N PHE 66 8.824 -13.338 -5.532 1.00 0.00 ATOM 509 CA PHE 66 9.427 -12.869 -4.271 1.00 0.00 ATOM 510 CB PHE 66 8.336 -12.451 -3.283 1.00 0.00 ATOM 511 CG PHE 66 8.845 -11.646 -2.122 1.00 0.00 ATOM 512 CD1 PHE 66 9.250 -10.334 -2.297 1.00 0.00 ATOM 513 CD2 PHE 66 8.919 -12.199 -0.856 1.00 0.00 ATOM 514 CE1 PHE 66 9.718 -9.592 -1.229 1.00 0.00 ATOM 515 CE2 PHE 66 9.387 -11.458 0.212 1.00 0.00 ATOM 516 CZ PHE 66 9.786 -10.160 0.030 1.00 0.00 ATOM 517 O PHE 66 11.302 -13.639 -2.938 1.00 0.00 ATOM 518 C PHE 66 10.279 -13.941 -3.595 1.00 0.00 ATOM 519 N GLU 67 9.919 -15.219 -4.025 1.00 0.00 ATOM 520 CA GLU 67 10.466 -16.402 -3.390 1.00 0.00 ATOM 521 CB GLU 67 11.912 -16.155 -2.952 1.00 0.00 ATOM 522 CG GLU 67 12.877 -15.918 -4.102 1.00 0.00 ATOM 523 CD GLU 67 12.942 -17.093 -5.059 1.00 0.00 ATOM 524 OE1 GLU 67 13.114 -18.236 -4.584 1.00 0.00 ATOM 525 OE2 GLU 67 12.823 -16.870 -6.282 1.00 0.00 ATOM 526 O GLU 67 9.568 -15.929 -1.229 1.00 0.00 ATOM 527 C GLU 67 9.604 -16.719 -2.186 1.00 0.00 ATOM 528 N TYR 68 8.878 -17.848 -2.218 1.00 0.00 ATOM 529 CA TYR 68 8.079 -18.230 -1.029 1.00 0.00 ATOM 530 CB TYR 68 7.358 -19.556 -1.274 1.00 0.00 ATOM 531 CG TYR 68 6.497 -20.008 -0.115 1.00 0.00 ATOM 532 CD1 TYR 68 5.270 -19.406 0.135 1.00 0.00 ATOM 533 CD2 TYR 68 6.912 -21.035 0.722 1.00 0.00 ATOM 534 CE1 TYR 68 4.476 -19.812 1.191 1.00 0.00 ATOM 535 CE2 TYR 68 6.132 -21.454 1.782 1.00 0.00 ATOM 536 CZ TYR 68 4.905 -20.832 2.012 1.00 0.00 ATOM 537 OH TYR 68 4.116 -21.239 3.065 1.00 0.00 ATOM 538 O TYR 68 8.646 -17.715 1.257 1.00 0.00 ATOM 539 C TYR 68 9.007 -18.271 0.217 1.00 0.00 ATOM 540 N PRO 69 10.196 -18.857 0.102 1.00 0.00 ATOM 541 CA PRO 69 11.042 -18.920 1.306 1.00 0.00 ATOM 542 CB PRO 69 12.195 -19.804 0.898 1.00 0.00 ATOM 543 CG PRO 69 12.315 -19.555 -0.572 1.00 0.00 ATOM 544 CD PRO 69 10.871 -19.571 -1.011 1.00 0.00 ATOM 545 O PRO 69 11.489 -17.312 3.044 1.00 0.00 ATOM 546 C PRO 69 11.430 -17.532 1.821 1.00 0.00 ATOM 547 N ASN 70 11.626 -16.567 0.960 1.00 0.00 ATOM 548 CA ASN 70 11.970 -15.219 1.394 1.00 0.00 ATOM 549 CB ASN 70 12.326 -14.300 0.223 1.00 0.00 ATOM 550 CG ASN 70 13.651 -14.663 -0.419 1.00 0.00 ATOM 551 ND2 ASN 70 13.840 -14.235 -1.662 1.00 0.00 ATOM 552 OD1 ASN 70 14.490 -15.319 0.197 1.00 0.00 ATOM 553 O ASN 70 11.077 -13.949 3.236 1.00 0.00 ATOM 554 C ASN 70 10.845 -14.561 2.197 1.00 0.00 ATOM 555 N MET 71 9.616 -14.739 1.755 1.00 0.00 ATOM 556 CA MET 71 8.472 -14.168 2.474 1.00 0.00 ATOM 557 CB MET 71 7.171 -14.446 1.718 1.00 0.00 ATOM 558 CG MET 71 5.944 -13.796 2.336 1.00 0.00 ATOM 559 SD MET 71 6.017 -11.995 2.301 1.00 0.00 ATOM 560 CE MET 71 5.703 -11.677 0.566 1.00 0.00 ATOM 561 O MET 71 7.997 -14.036 4.816 1.00 0.00 ATOM 562 C MET 71 8.307 -14.748 3.870 1.00 0.00 ATOM 563 N GLN 72 8.487 -16.077 3.933 1.00 0.00 ATOM 564 CA GLN 72 8.336 -16.816 5.182 1.00 0.00 ATOM 565 CB GLN 72 8.625 -18.303 4.963 1.00 0.00 ATOM 566 CG GLN 72 8.468 -19.156 6.211 1.00 0.00 ATOM 567 CD GLN 72 8.743 -20.624 5.952 1.00 0.00 ATOM 568 OE1 GLN 72 9.137 -21.007 4.851 1.00 0.00 ATOM 569 NE2 GLN 72 8.534 -21.452 6.969 1.00 0.00 ATOM 570 O GLN 72 8.902 -15.998 7.372 1.00 0.00 ATOM 571 C GLN 72 9.295 -16.301 6.249 1.00 0.00 ATOM 572 N VAL 73 10.558 -16.165 5.875 1.00 0.00 ATOM 573 CA VAL 73 11.576 -15.698 6.803 1.00 0.00 ATOM 574 CB VAL 73 12.976 -15.724 6.163 1.00 0.00 ATOM 575 CG1 VAL 73 13.993 -15.068 7.083 1.00 0.00 ATOM 576 CG2 VAL 73 13.416 -17.156 5.904 1.00 0.00 ATOM 577 O VAL 73 11.427 -13.883 8.384 1.00 0.00 ATOM 578 C VAL 73 11.255 -14.264 7.225 1.00 0.00 ATOM 579 N ARG 74 10.768 -13.465 6.282 1.00 0.00 ATOM 580 CA ARG 74 10.429 -12.087 6.599 1.00 0.00 ATOM 581 CB ARG 74 10.035 -11.326 5.330 1.00 0.00 ATOM 582 CG ARG 74 9.727 -9.856 5.558 1.00 0.00 ATOM 583 CD ARG 74 9.463 -9.136 4.246 1.00 0.00 ATOM 584 NE ARG 74 9.165 -7.721 4.447 1.00 0.00 ATOM 585 CZ ARG 74 8.838 -6.880 3.471 1.00 0.00 ATOM 586 NH1 ARG 74 8.582 -5.608 3.750 1.00 0.00 ATOM 587 NH2 ARG 74 8.765 -7.313 2.221 1.00 0.00 ATOM 588 O ARG 74 9.248 -11.034 8.366 1.00 0.00 ATOM 589 C ARG 74 9.264 -11.955 7.555 1.00 0.00 ATOM 590 N LEU 75 8.281 -12.844 7.471 1.00 0.00 ATOM 591 CA LEU 75 7.124 -12.800 8.366 1.00 0.00 ATOM 592 CB LEU 75 6.145 -13.926 8.033 1.00 0.00 ATOM 593 CG LEU 75 5.386 -13.796 6.711 1.00 0.00 ATOM 594 CD1 LEU 75 4.590 -15.060 6.421 1.00 0.00 ATOM 595 CD2 LEU 75 4.415 -12.625 6.762 1.00 0.00 ATOM 596 O LEU 75 7.088 -12.228 10.692 1.00 0.00 ATOM 597 C LEU 75 7.539 -12.967 9.829 1.00 0.00 ATOM 598 N GLN 76 8.428 -13.900 10.097 1.00 0.00 ATOM 599 CA GLN 76 8.900 -14.163 11.460 1.00 0.00 ATOM 600 CB GLN 76 9.904 -15.318 11.467 1.00 0.00 ATOM 601 CG GLN 76 9.289 -16.678 11.185 1.00 0.00 ATOM 602 CD GLN 76 10.326 -17.780 11.089 1.00 0.00 ATOM 603 OE1 GLN 76 11.527 -17.519 11.142 1.00 0.00 ATOM 604 NE2 GLN 76 9.863 -19.016 10.945 1.00 0.00 ATOM 605 O GLN 76 9.379 -12.584 13.222 1.00 0.00 ATOM 606 C GLN 76 9.588 -12.928 12.048 1.00 0.00 ATOM 607 N ALA 77 10.372 -12.240 11.226 1.00 0.00 ATOM 608 CA ALA 77 11.022 -11.019 11.666 1.00 0.00 ATOM 609 CB ALA 77 11.939 -10.483 10.577 1.00 0.00 ATOM 610 O ALA 77 10.093 -9.292 13.068 1.00 0.00 ATOM 611 C ALA 77 9.971 -9.988 12.033 1.00 0.00 ATOM 612 N ALA 78 8.922 -9.858 11.250 1.00 0.00 ATOM 613 CA ALA 78 7.832 -8.963 11.575 1.00 0.00 ATOM 614 CB ALA 78 6.744 -9.002 10.510 1.00 0.00 ATOM 615 O ALA 78 6.807 -8.540 13.706 1.00 0.00 ATOM 616 C ALA 78 7.135 -9.380 12.863 1.00 0.00 ATOM 617 N LYS 79 6.924 -10.683 13.009 1.00 0.00 ATOM 618 CA LYS 79 6.279 -11.197 14.212 1.00 0.00 ATOM 619 CB LYS 79 6.028 -12.701 14.075 1.00 0.00 ATOM 620 CG LYS 79 4.940 -13.060 13.076 1.00 0.00 ATOM 621 CD LYS 79 4.743 -14.565 12.993 1.00 0.00 ATOM 622 CE LYS 79 3.671 -14.925 11.977 1.00 0.00 ATOM 623 NZ LYS 79 3.490 -16.398 11.860 1.00 0.00 ATOM 624 O LYS 79 6.597 -10.474 16.472 1.00 0.00 ATOM 625 C LYS 79 7.126 -10.868 15.433 1.00 0.00 ATOM 626 N LEU 80 8.437 -11.006 15.287 1.00 0.00 ATOM 627 CA LEU 80 9.351 -10.701 16.384 1.00 0.00 ATOM 628 CB LEU 80 10.772 -11.114 15.997 1.00 0.00 ATOM 629 CG LEU 80 11.020 -12.615 15.831 1.00 0.00 ATOM 630 CD1 LEU 80 12.412 -12.871 15.274 1.00 0.00 ATOM 631 CD2 LEU 80 10.903 -13.330 17.168 1.00 0.00 ATOM 632 O LEU 80 9.218 -8.835 17.888 1.00 0.00 ATOM 633 C LEU 80 9.321 -9.213 16.722 1.00 0.00 ATOM 634 N THR 81 9.390 -8.364 15.713 1.00 0.00 ATOM 635 CA THR 81 9.332 -6.916 15.913 1.00 0.00 ATOM 636 CB THR 81 9.457 -6.157 14.578 1.00 0.00 ATOM 637 CG2 THR 81 9.368 -4.657 14.808 1.00 0.00 ATOM 638 OG1 THR 81 10.718 -6.459 13.970 1.00 0.00 ATOM 639 O THR 81 7.963 -5.644 17.423 1.00 0.00 ATOM 640 C THR 81 8.005 -6.498 16.531 1.00 0.00 ATOM 641 N LEU 82 6.958 -7.128 16.061 1.00 0.00 ATOM 642 CA LEU 82 5.624 -6.874 16.583 1.00 0.00 ATOM 643 CB LEU 82 4.586 -7.673 15.793 1.00 0.00 ATOM 644 CG LEU 82 3.126 -7.490 16.211 1.00 0.00 ATOM 645 CD1 LEU 82 2.695 -6.042 16.036 1.00 0.00 ATOM 646 CD2 LEU 82 2.211 -8.363 15.366 1.00 0.00 ATOM 647 O LEU 82 5.004 -6.576 18.872 1.00 0.00 ATOM 648 C LEU 82 5.569 -7.289 18.051 1.00 0.00 ATOM 649 N ALA 83 6.221 -8.399 18.397 1.00 0.00 ATOM 650 CA ALA 83 6.235 -8.883 19.784 1.00 0.00 ATOM 651 CB ALA 83 7.088 -10.137 19.900 1.00 0.00 ATOM 652 O ALA 83 6.342 -7.560 21.817 1.00 0.00 ATOM 653 C ALA 83 6.807 -7.789 20.688 1.00 0.00 ATOM 654 N VAL 84 7.872 -7.136 20.072 1.00 0.00 ATOM 655 CA VAL 84 8.441 -6.095 20.929 1.00 0.00 ATOM 656 CB VAL 84 9.811 -5.625 20.407 1.00 0.00 ATOM 657 CG1 VAL 84 10.329 -4.463 21.239 1.00 0.00 ATOM 658 CG2 VAL 84 10.825 -6.758 20.478 1.00 0.00 ATOM 659 O VAL 84 7.726 -4.082 22.056 1.00 0.00 ATOM 660 C VAL 84 7.575 -4.823 21.091 1.00 0.00 ATOM 661 N ALA 85 6.657 -4.584 20.167 1.00 0.00 ATOM 662 CA ALA 85 5.822 -3.398 20.207 1.00 0.00 ATOM 663 CB ALA 85 4.977 -3.308 18.945 1.00 0.00 ATOM 664 O ALA 85 4.593 -4.488 21.904 1.00 0.00 ATOM 665 C ALA 85 4.917 -3.425 21.408 1.00 0.00 ATOM 666 N PRO 86 4.516 -2.249 21.908 1.00 0.00 ATOM 667 CA PRO 86 3.619 -2.196 23.084 1.00 0.00 ATOM 668 CB PRO 86 3.570 -0.710 23.448 1.00 0.00 ATOM 669 CG PRO 86 3.854 -0.003 22.165 1.00 0.00 ATOM 670 CD PRO 86 4.834 -0.864 21.420 1.00 0.00 ATOM 671 O PRO 86 1.833 -2.788 21.556 1.00 0.00 ATOM 672 C PRO 86 2.204 -2.748 22.737 1.00 0.00 ATOM 673 N VAL 87 1.468 -3.241 23.742 1.00 0.00 ATOM 674 CA VAL 87 0.194 -3.940 23.535 1.00 0.00 ATOM 675 CB VAL 87 -0.411 -4.422 24.866 1.00 0.00 ATOM 676 CG1 VAL 87 -1.819 -4.956 24.650 1.00 0.00 ATOM 677 CG2 VAL 87 0.439 -5.534 25.465 1.00 0.00 ATOM 678 O VAL 87 -1.524 -3.363 21.907 1.00 0.00 ATOM 679 C VAL 87 -0.781 -2.982 22.797 1.00 0.00 ATOM 680 N LYS 88 -0.774 -1.696 23.161 1.00 0.00 ATOM 681 CA LYS 88 -1.646 -0.745 22.506 1.00 0.00 ATOM 682 CB LYS 88 -1.454 0.638 23.130 1.00 0.00 ATOM 683 CG LYS 88 -2.272 1.736 22.470 1.00 0.00 ATOM 684 CD LYS 88 -2.062 3.073 23.163 1.00 0.00 ATOM 685 CE LYS 88 -2.866 4.175 22.492 1.00 0.00 ATOM 686 NZ LYS 88 -2.646 5.497 23.141 1.00 0.00 ATOM 687 O LYS 88 -2.155 -0.624 20.197 1.00 0.00 ATOM 688 C LYS 88 -1.308 -0.548 21.063 1.00 0.00 ATOM 689 N ALA 89 -0.022 -0.410 20.756 1.00 0.00 ATOM 690 CA ALA 89 0.426 -0.286 19.371 1.00 0.00 ATOM 691 CB ALA 89 1.927 -0.038 19.363 1.00 0.00 ATOM 692 O ALA 89 -0.332 -1.574 17.485 1.00 0.00 ATOM 693 C ALA 89 0.143 -1.575 18.617 1.00 0.00 ATOM 694 N ARG 90 0.451 -2.683 19.266 1.00 0.00 ATOM 695 CA ARG 90 0.286 -3.983 18.640 1.00 0.00 ATOM 696 CB ARG 90 0.274 -5.037 19.921 1.00 0.00 ATOM 697 CG ARG 90 1.047 -6.312 19.879 1.00 0.00 ATOM 698 CD ARG 90 1.139 -6.960 21.234 1.00 0.00 ATOM 699 NE ARG 90 2.065 -8.084 21.279 1.00 0.00 ATOM 700 CZ ARG 90 3.183 -8.105 21.986 1.00 0.00 ATOM 701 NH1 ARG 90 3.930 -9.196 21.981 1.00 0.00 ATOM 702 NH2 ARG 90 3.552 -7.046 22.701 1.00 0.00 ATOM 703 O ARG 90 -1.537 -4.759 17.285 1.00 0.00 ATOM 704 C ARG 90 -1.194 -4.238 18.347 1.00 0.00 ATOM 705 N GLU 91 -2.058 -3.874 19.275 1.00 0.00 ATOM 706 CA GLU 91 -3.490 -4.063 19.053 1.00 0.00 ATOM 707 CB GLU 91 -4.296 -3.631 20.280 1.00 0.00 ATOM 708 CG GLU 91 -5.795 -3.843 20.143 1.00 0.00 ATOM 709 CD GLU 91 -6.555 -3.459 21.397 1.00 0.00 ATOM 710 OE1 GLU 91 -5.905 -3.045 22.381 1.00 0.00 ATOM 711 OE2 GLU 91 -7.799 -3.573 21.396 1.00 0.00 ATOM 712 O GLU 91 -4.814 -3.686 17.092 1.00 0.00 ATOM 713 C GLU 91 -3.976 -3.230 17.865 1.00 0.00 ATOM 714 N GLN 92 -3.444 -2.012 17.703 1.00 0.00 ATOM 715 CA GLN 92 -3.837 -1.162 16.610 1.00 0.00 ATOM 716 CB GLN 92 -3.249 0.239 16.783 1.00 0.00 ATOM 717 CG GLN 92 -3.863 1.034 17.923 1.00 0.00 ATOM 718 CD GLN 92 -3.158 2.356 18.158 1.00 0.00 ATOM 719 OE1 GLN 92 -2.135 2.644 17.538 1.00 0.00 ATOM 720 NE2 GLN 92 -3.706 3.166 19.057 1.00 0.00 ATOM 721 O GLN 92 -4.142 -1.774 14.302 1.00 0.00 ATOM 722 C GLN 92 -3.376 -1.731 15.269 1.00 0.00 ATOM 723 N LEU 93 -2.139 -2.153 15.209 1.00 0.00 ATOM 724 CA LEU 93 -1.604 -2.715 13.979 1.00 0.00 ATOM 725 CB LEU 93 -0.084 -2.964 14.103 1.00 0.00 ATOM 726 CG LEU 93 0.770 -1.692 14.111 1.00 0.00 ATOM 727 CD1 LEU 93 2.210 -2.064 14.588 1.00 0.00 ATOM 728 CD2 LEU 93 0.753 -1.016 12.726 1.00 0.00 ATOM 729 O LEU 93 -2.571 -4.247 12.420 1.00 0.00 ATOM 730 C LEU 93 -2.344 -3.996 13.584 1.00 0.00 ATOM 731 N GLU 94 -2.688 -4.818 14.572 1.00 0.00 ATOM 732 CA GLU 94 -3.452 -6.018 14.286 1.00 0.00 ATOM 733 CB GLU 94 -3.668 -6.834 15.562 1.00 0.00 ATOM 734 CG GLU 94 -2.410 -7.502 16.093 1.00 0.00 ATOM 735 CD GLU 94 -2.634 -8.197 17.421 1.00 0.00 ATOM 736 OE1 GLU 94 -3.755 -8.094 17.964 1.00 0.00 ATOM 737 OE2 GLU 94 -1.690 -8.845 17.920 1.00 0.00 ATOM 738 O GLU 94 -5.196 -6.282 12.659 1.00 0.00 ATOM 739 C GLU 94 -4.782 -5.652 13.633 1.00 0.00 ATOM 740 N ALA 95 -5.456 -4.620 14.172 1.00 0.00 ATOM 741 CA ALA 95 -6.733 -4.175 13.610 1.00 0.00 ATOM 742 CB ALA 95 -7.312 -3.032 14.428 1.00 0.00 ATOM 743 O ALA 95 -7.301 -4.046 11.257 1.00 0.00 ATOM 744 C ALA 95 -6.543 -3.690 12.161 1.00 0.00 ATOM 745 N ILE 96 -5.478 -2.893 11.898 1.00 0.00 ATOM 746 CA ILE 96 -5.196 -2.345 10.557 1.00 0.00 ATOM 747 CB ILE 96 -3.999 -1.384 10.605 1.00 0.00 ATOM 748 CG1 ILE 96 -4.411 -0.163 11.411 1.00 0.00 ATOM 749 CG2 ILE 96 -3.469 -0.976 9.235 1.00 0.00 ATOM 750 CD1 ILE 96 -3.254 0.759 11.730 1.00 0.00 ATOM 751 O ILE 96 -5.446 -3.473 8.452 1.00 0.00 ATOM 752 C ILE 96 -4.915 -3.464 9.559 1.00 0.00 ATOM 753 N VAL 97 -4.076 -4.395 9.972 1.00 0.00 ATOM 754 CA VAL 97 -3.732 -5.520 9.121 1.00 0.00 ATOM 755 CB VAL 97 -2.686 -6.450 9.767 1.00 0.00 ATOM 756 CG1 VAL 97 -2.480 -7.692 8.915 1.00 0.00 ATOM 757 CG2 VAL 97 -1.352 -5.734 9.907 1.00 0.00 ATOM 758 O VAL 97 -5.213 -6.713 7.657 1.00 0.00 ATOM 759 C VAL 97 -4.962 -6.372 8.817 1.00 0.00 ATOM 760 N SER 98 -5.811 -6.675 9.819 1.00 0.00 ATOM 761 CA SER 98 -7.020 -7.468 9.615 1.00 0.00 ATOM 762 CB SER 98 -7.686 -7.812 10.948 1.00 0.00 ATOM 763 OG SER 98 -8.135 -6.644 11.611 1.00 0.00 ATOM 764 O SER 98 -8.872 -7.324 8.153 1.00 0.00 ATOM 765 C SER 98 -8.050 -6.710 8.790 1.00 0.00 ATOM 766 N SER 99 -7.922 -5.400 8.722 1.00 0.00 ATOM 767 CA SER 99 -8.725 -4.557 7.833 1.00 0.00 ATOM 768 CB SER 99 -8.899 -3.159 8.430 1.00 0.00 ATOM 769 OG SER 99 -9.632 -3.210 9.641 1.00 0.00 ATOM 770 O SER 99 -8.742 -3.688 5.606 1.00 0.00 ATOM 771 C SER 99 -8.132 -4.354 6.453 1.00 0.00 ATOM 772 N LYS 100 -6.897 -4.809 6.261 1.00 0.00 ATOM 773 CA LYS 100 -6.209 -4.677 4.981 1.00 0.00 ATOM 774 CB LYS 100 -7.186 -4.900 3.825 1.00 0.00 ATOM 775 CG LYS 100 -7.790 -6.294 3.784 1.00 0.00 ATOM 776 CD LYS 100 -8.697 -6.468 2.577 1.00 0.00 ATOM 777 CE LYS 100 -9.328 -7.850 2.553 1.00 0.00 ATOM 778 NZ LYS 100 -10.170 -8.056 1.344 1.00 0.00 ATOM 779 O LYS 100 -5.136 -3.060 3.582 1.00 0.00 ATOM 780 C LYS 100 -5.571 -3.321 4.712 1.00 0.00 ATOM 781 N TRP 101 -5.478 -2.472 5.744 1.00 0.00 ATOM 782 CA TRP 101 -4.922 -1.117 5.631 1.00 0.00 ATOM 783 CB TRP 101 -5.154 -0.282 6.790 1.00 0.00 ATOM 784 CG TRP 101 -6.602 0.134 6.814 1.00 0.00 ATOM 785 CD1 TRP 101 -7.596 -0.374 7.602 1.00 0.00 ATOM 786 CD2 TRP 101 -7.227 1.092 5.950 1.00 0.00 ATOM 787 CE2 TRP 101 -8.602 1.109 6.270 1.00 0.00 ATOM 788 CE3 TRP 101 -6.756 1.936 4.935 1.00 0.00 ATOM 789 NE1 TRP 101 -8.803 0.206 7.282 1.00 0.00 ATOM 790 CZ2 TRP 101 -9.516 1.940 5.609 1.00 0.00 ATOM 791 CZ3 TRP 101 -7.665 2.762 4.277 1.00 0.00 ATOM 792 CH2 TRP 101 -9.028 2.756 4.618 1.00 0.00 ATOM 793 O TRP 101 -2.738 -0.528 4.759 1.00 0.00 ATOM 794 C TRP 101 -3.391 -1.226 5.550 1.00 0.00 ATOM 795 N PHE 102 -2.847 -2.136 6.358 1.00 0.00 ATOM 796 CA PHE 102 -1.425 -2.485 6.325 1.00 0.00 ATOM 797 CB PHE 102 -0.746 -2.362 7.683 1.00 0.00 ATOM 798 CG PHE 102 -0.586 -0.911 8.125 1.00 0.00 ATOM 799 CD1 PHE 102 -0.263 0.134 7.264 1.00 0.00 ATOM 800 CD2 PHE 102 -0.770 -0.570 9.462 1.00 0.00 ATOM 801 CE1 PHE 102 -0.100 1.447 7.718 1.00 0.00 ATOM 802 CE2 PHE 102 -0.628 0.736 9.917 1.00 0.00 ATOM 803 CZ PHE 102 -0.301 1.739 9.049 1.00 0.00 ATOM 804 O PHE 102 -1.874 -4.862 6.365 1.00 0.00 ATOM 805 C PHE 102 -1.297 -3.920 5.793 1.00 0.00 ATOM 806 N PRO 103 -0.547 -4.096 4.688 1.00 0.00 ATOM 807 CA PRO 103 -0.465 -5.423 4.074 1.00 0.00 ATOM 808 CB PRO 103 0.130 -5.155 2.690 1.00 0.00 ATOM 809 CG PRO 103 0.919 -3.901 2.858 1.00 0.00 ATOM 810 CD PRO 103 0.162 -3.063 3.850 1.00 0.00 ATOM 811 O PRO 103 1.345 -5.938 5.554 1.00 0.00 ATOM 812 C PRO 103 0.428 -6.377 4.857 1.00 0.00 ATOM 813 N GLN 104 0.168 -7.684 4.714 1.00 0.00 ATOM 814 CA GLN 104 0.984 -8.677 5.406 1.00 0.00 ATOM 815 CB GLN 104 0.704 -10.058 4.983 1.00 0.00 ATOM 816 CG GLN 104 0.906 -10.349 3.511 1.00 0.00 ATOM 817 CD GLN 104 0.534 -11.766 3.127 1.00 0.00 ATOM 818 OE1 GLN 104 0.367 -12.074 1.945 1.00 0.00 ATOM 819 NE2 GLN 104 0.413 -12.641 4.121 1.00 0.00 ATOM 820 O GLN 104 3.312 -8.879 5.789 1.00 0.00 ATOM 821 C GLN 104 2.436 -8.569 4.997 1.00 0.00 ATOM 822 N ALA 105 2.676 -8.145 3.739 1.00 0.00 ATOM 823 CA ALA 105 4.044 -8.022 3.203 1.00 0.00 ATOM 824 CB ALA 105 4.036 -7.446 1.796 1.00 0.00 ATOM 825 O ALA 105 6.079 -7.281 4.254 1.00 0.00 ATOM 826 C ALA 105 4.879 -7.068 4.069 1.00 0.00 ATOM 827 N GLY 106 4.234 -6.037 4.617 1.00 0.00 ATOM 828 CA GLY 106 4.915 -5.026 5.420 1.00 0.00 ATOM 829 O GLY 106 3.782 -5.390 7.508 1.00 0.00 ATOM 830 C GLY 106 4.860 -5.279 6.922 1.00 0.00 ATOM 831 N ASP 107 6.025 -5.330 7.576 1.00 0.00 ATOM 832 CA ASP 107 6.063 -5.573 9.020 1.00 0.00 ATOM 833 CB ASP 107 7.469 -5.680 9.531 1.00 0.00 ATOM 834 CG ASP 107 8.172 -6.940 9.043 1.00 0.00 ATOM 835 OD1 ASP 107 7.561 -7.798 8.359 1.00 0.00 ATOM 836 OD2 ASP 107 9.354 -7.127 9.332 1.00 0.00 ATOM 837 O ASP 107 5.452 -3.267 9.102 1.00 0.00 ATOM 838 C ASP 107 5.364 -4.359 9.653 1.00 0.00 ATOM 839 N ALA 108 4.669 -4.572 10.769 1.00 0.00 ATOM 840 CA ALA 108 3.976 -3.454 11.429 1.00 0.00 ATOM 841 CB ALA 108 3.354 -3.900 12.743 1.00 0.00 ATOM 842 O ALA 108 4.573 -1.160 11.549 1.00 0.00 ATOM 843 C ALA 108 4.956 -2.320 11.684 1.00 0.00 ATOM 844 N GLY 109 6.189 -2.664 12.071 1.00 0.00 ATOM 845 CA GLY 109 7.191 -1.614 12.277 1.00 0.00 ATOM 846 O GLY 109 7.558 0.410 11.037 1.00 0.00 ATOM 847 C GLY 109 7.393 -0.813 10.996 1.00 0.00 ATOM 848 N MET 110 7.380 -1.509 9.858 1.00 0.00 ATOM 849 CA MET 110 7.533 -0.864 8.560 1.00 0.00 ATOM 850 CB MET 110 7.671 -1.914 7.454 1.00 0.00 ATOM 851 CG MET 110 8.970 -2.701 7.506 1.00 0.00 ATOM 852 SD MET 110 10.426 -1.654 7.323 1.00 0.00 ATOM 853 CE MET 110 10.262 -1.139 5.615 1.00 0.00 ATOM 854 O MET 110 6.418 1.085 7.701 1.00 0.00 ATOM 855 C MET 110 6.307 0.006 8.283 1.00 0.00 ATOM 856 N CYS 111 5.138 -0.464 8.713 1.00 0.00 ATOM 857 CA CYS 111 3.904 0.294 8.527 1.00 0.00 ATOM 858 CB CYS 111 2.701 -0.491 9.017 1.00 0.00 ATOM 859 SG CYS 111 2.268 -1.897 7.958 1.00 0.00 ATOM 860 O CYS 111 3.547 2.654 8.806 1.00 0.00 ATOM 861 C CYS 111 3.996 1.614 9.293 1.00 0.00 ATOM 862 N LEU 112 4.554 1.562 10.498 1.00 0.00 ATOM 863 CA LEU 112 4.699 2.751 11.330 1.00 0.00 ATOM 864 CB LEU 112 5.295 2.384 12.660 1.00 0.00 ATOM 865 CG LEU 112 4.299 1.810 13.620 1.00 0.00 ATOM 866 CD1 LEU 112 5.026 1.196 14.800 1.00 0.00 ATOM 867 CD2 LEU 112 3.296 2.916 14.032 1.00 0.00 ATOM 868 O LEU 112 5.312 4.953 10.598 1.00 0.00 ATOM 869 C LEU 112 5.607 3.761 10.625 1.00 0.00 ATOM 870 N ASP 113 6.677 3.322 10.041 1.00 0.00 ATOM 871 CA ASP 113 7.540 4.208 9.268 1.00 0.00 ATOM 872 CB ASP 113 8.711 3.426 8.670 1.00 0.00 ATOM 873 CG ASP 113 9.730 3.012 9.712 1.00 0.00 ATOM 874 OD1 ASP 113 9.659 3.526 10.848 1.00 0.00 ATOM 875 OD2 ASP 113 10.598 2.172 9.395 1.00 0.00 ATOM 876 O ASP 113 6.897 6.071 7.896 1.00 0.00 ATOM 877 C ASP 113 6.781 4.869 8.118 1.00 0.00 ATOM 878 N LEU 114 6.008 4.084 7.371 1.00 0.00 ATOM 879 CA LEU 114 5.274 4.630 6.234 1.00 0.00 ATOM 880 CB LEU 114 4.548 3.516 5.478 1.00 0.00 ATOM 881 CG LEU 114 5.434 2.509 4.741 1.00 0.00 ATOM 882 CD1 LEU 114 4.599 1.376 4.168 1.00 0.00 ATOM 883 CD2 LEU 114 6.173 3.182 3.594 1.00 0.00 ATOM 884 O LEU 114 4.058 6.697 6.027 1.00 0.00 ATOM 885 C LEU 114 4.245 5.673 6.688 1.00 0.00 ATOM 886 N LEU 115 3.591 5.413 7.822 1.00 0.00 ATOM 887 CA LEU 115 2.641 6.368 8.397 1.00 0.00 ATOM 888 CB LEU 115 1.998 5.791 9.660 1.00 0.00 ATOM 889 CG LEU 115 1.057 4.601 9.457 1.00 0.00 ATOM 890 CD1 LEU 115 0.633 4.018 10.798 1.00 0.00 ATOM 891 CD2 LEU 115 -0.196 5.030 8.708 1.00 0.00 ATOM 892 O LEU 115 2.884 8.763 8.363 1.00 0.00 ATOM 893 C LEU 115 3.351 7.685 8.727 1.00 0.00 ATOM 894 N ASP 116 4.499 7.568 9.396 1.00 0.00 ATOM 895 CA ASP 116 5.309 8.739 9.714 1.00 0.00 ATOM 896 CB ASP 116 6.490 8.346 10.602 1.00 0.00 ATOM 897 CG ASP 116 6.066 7.984 12.012 1.00 0.00 ATOM 898 OD1 ASP 116 4.905 8.269 12.373 1.00 0.00 ATOM 899 OD2 ASP 116 6.893 7.414 12.754 1.00 0.00 ATOM 900 O ASP 116 6.271 10.548 8.463 1.00 0.00 ATOM 901 C ASP 116 5.847 9.393 8.444 1.00 0.00 ATOM 902 N ASP 117 5.811 8.651 7.341 1.00 0.00 ATOM 903 CA ASP 117 6.302 9.144 6.057 1.00 0.00 ATOM 904 CB ASP 117 6.826 7.987 5.203 1.00 0.00 ATOM 905 CG ASP 117 8.121 7.408 5.741 1.00 0.00 ATOM 906 OD1 ASP 117 8.776 8.081 6.564 1.00 0.00 ATOM 907 OD2 ASP 117 8.482 6.283 5.337 1.00 0.00 ATOM 908 O ASP 117 5.402 10.386 4.210 1.00 0.00 ATOM 909 C ASP 117 5.180 9.838 5.293 1.00 0.00 ATOM 910 N GLY 118 3.975 9.803 5.855 1.00 0.00 ATOM 911 CA GLY 118 2.838 10.449 5.221 1.00 0.00 ATOM 912 O GLY 118 1.030 10.110 3.705 1.00 0.00 ATOM 913 C GLY 118 2.012 9.613 4.259 1.00 0.00 ATOM 914 N THR 119 2.394 8.357 4.050 1.00 0.00 ATOM 915 CA THR 119 1.659 7.481 3.135 1.00 0.00 ATOM 916 CB THR 119 2.445 6.190 2.839 1.00 0.00 ATOM 917 CG2 THR 119 1.646 5.279 1.919 1.00 0.00 ATOM 918 OG1 THR 119 3.686 6.516 2.202 1.00 0.00 ATOM 919 O THR 119 -0.752 7.268 3.057 1.00 0.00 ATOM 920 C THR 119 0.281 7.207 3.735 1.00 0.00 ATOM 921 N PHE 120 0.274 6.851 5.021 1.00 0.00 ATOM 922 CA PHE 120 -0.950 6.526 5.741 1.00 0.00 ATOM 923 CB PHE 120 -0.764 5.220 6.525 1.00 0.00 ATOM 924 CG PHE 120 -1.212 3.976 5.808 1.00 0.00 ATOM 925 CD1 PHE 120 -2.562 3.650 5.732 1.00 0.00 ATOM 926 CD2 PHE 120 -0.278 3.110 5.256 1.00 0.00 ATOM 927 CE1 PHE 120 -2.976 2.480 5.123 1.00 0.00 ATOM 928 CE2 PHE 120 -0.682 1.927 4.639 1.00 0.00 ATOM 929 CZ PHE 120 -2.036 1.609 4.573 1.00 0.00 ATOM 930 O PHE 120 -0.352 8.284 7.247 1.00 0.00 ATOM 931 C PHE 120 -1.258 7.681 6.677 1.00 0.00 ATOM 932 N LYS 121 -2.540 7.989 6.835 1.00 0.00 ATOM 933 CA LYS 121 -2.992 8.764 7.982 1.00 0.00 ATOM 934 CB LYS 121 -4.439 9.172 7.794 1.00 0.00 ATOM 935 CG LYS 121 -4.533 10.420 6.934 1.00 0.00 ATOM 936 CD LYS 121 -5.951 10.958 6.855 1.00 0.00 ATOM 937 CE LYS 121 -6.426 11.481 8.200 1.00 0.00 ATOM 938 NZ LYS 121 -7.702 12.236 8.054 1.00 0.00 ATOM 939 O LYS 121 -3.803 6.742 9.004 1.00 0.00 ATOM 940 C LYS 121 -3.438 7.905 9.161 1.00 0.00 ATOM 941 N PRO 122 -3.783 8.591 10.282 1.00 0.00 ATOM 942 CA PRO 122 -4.235 7.818 11.446 1.00 0.00 ATOM 943 CB PRO 122 -4.621 8.898 12.451 1.00 0.00 ATOM 944 CG PRO 122 -3.719 10.051 12.076 1.00 0.00 ATOM 945 CD PRO 122 -3.752 10.043 10.550 1.00 0.00 ATOM 946 O PRO 122 -5.738 6.030 11.891 1.00 0.00 ATOM 947 C PRO 122 -5.467 6.969 11.133 1.00 0.00 ATOM 948 N LYS 123 -6.200 7.279 10.079 1.00 0.00 ATOM 949 CA LYS 123 -7.362 6.474 9.670 1.00 0.00 ATOM 950 CB LYS 123 -8.459 7.329 9.049 1.00 0.00 ATOM 951 CG LYS 123 -9.130 8.272 10.045 1.00 0.00 ATOM 952 CD LYS 123 -10.669 8.211 9.952 1.00 0.00 ATOM 953 CE LYS 123 -11.240 9.270 9.019 1.00 0.00 ATOM 954 NZ LYS 123 -12.679 9.037 8.762 1.00 0.00 ATOM 955 O LYS 123 -7.578 4.401 8.598 1.00 0.00 ATOM 956 C LYS 123 -6.973 5.432 8.626 1.00 0.00 TER END