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 1 Fri Aug 4 21:49:48 2006 MODEL 1 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 -5.063 1.283 -4.371 1.00 0.00 ATOM 2 CA MET 1 -5.362 0.496 -5.595 1.00 0.00 ATOM 3 CB MET 1 -4.173 0.529 -6.559 1.00 0.00 ATOM 4 CG MET 1 -3.856 1.912 -7.104 1.00 0.00 ATOM 5 SD MET 1 -5.190 2.585 -8.114 1.00 0.00 ATOM 6 CE MET 1 -4.561 4.226 -8.456 1.00 0.00 ATOM 7 O MET 1 -5.181 -1.499 -4.245 1.00 0.00 ATOM 8 C MET 1 -5.665 -0.950 -5.266 1.00 0.00 ATOM 9 N SER 2 -6.454 -1.598 -6.110 1.00 0.00 ATOM 10 CA SER 2 -6.934 -2.946 -5.859 1.00 0.00 ATOM 11 CB SER 2 -8.250 -3.199 -6.598 1.00 0.00 ATOM 12 OG SER 2 -8.050 -3.220 -8.001 1.00 0.00 ATOM 13 O SER 2 -4.937 -3.590 -7.032 1.00 0.00 ATOM 14 C SER 2 -5.924 -3.963 -6.394 1.00 0.00 ATOM 15 N LYS 3 -6.245 -5.239 -6.202 1.00 0.00 ATOM 16 CA LYS 3 -5.357 -6.320 -6.658 1.00 0.00 ATOM 17 CB LYS 3 -5.824 -7.661 -6.085 1.00 0.00 ATOM 18 CG LYS 3 -5.678 -7.776 -4.577 1.00 0.00 ATOM 19 CD LYS 3 -6.104 -9.151 -4.086 1.00 0.00 ATOM 20 CE LYS 3 -5.977 -9.260 -2.574 1.00 0.00 ATOM 21 NZ LYS 3 -6.404 -10.596 -2.077 1.00 0.00 ATOM 22 O LYS 3 -4.290 -6.484 -8.804 1.00 0.00 ATOM 23 C LYS 3 -5.344 -6.337 -8.185 1.00 0.00 ATOM 24 N LEU 4 -6.499 -6.143 -8.778 1.00 0.00 ATOM 25 CA LEU 4 -6.597 -6.140 -10.233 1.00 0.00 ATOM 26 CB LEU 4 -8.056 -6.099 -10.691 1.00 0.00 ATOM 27 CG LEU 4 -8.889 -7.354 -10.420 1.00 0.00 ATOM 28 CD1 LEU 4 -10.347 -7.122 -10.783 1.00 0.00 ATOM 29 CD2 LEU 4 -8.375 -8.527 -11.242 1.00 0.00 ATOM 30 O LEU 4 -5.250 -5.030 -11.869 1.00 0.00 ATOM 31 C LEU 4 -5.882 -4.927 -10.815 1.00 0.00 ATOM 32 N ASP 5 -5.963 -3.783 -10.128 1.00 0.00 ATOM 33 CA ASP 5 -5.270 -2.602 -10.625 1.00 0.00 ATOM 34 CB ASP 5 -5.537 -1.406 -9.709 1.00 0.00 ATOM 35 CG ASP 5 -6.961 -0.897 -9.816 1.00 0.00 ATOM 36 OD1 ASP 5 -7.669 -1.308 -10.759 1.00 0.00 ATOM 37 OD2 ASP 5 -7.368 -0.087 -8.957 1.00 0.00 ATOM 38 O ASP 5 -3.119 -2.456 -11.680 1.00 0.00 ATOM 39 C ASP 5 -3.764 -2.841 -10.701 1.00 0.00 ATOM 40 N LEU 6 -3.218 -3.509 -9.689 1.00 0.00 ATOM 41 CA LEU 6 -1.786 -3.801 -9.654 1.00 0.00 ATOM 42 CB LEU 6 -1.388 -4.369 -8.288 1.00 0.00 ATOM 43 CG LEU 6 -1.515 -3.415 -7.094 1.00 0.00 ATOM 44 CD1 LEU 6 -1.228 -4.167 -5.796 1.00 0.00 ATOM 45 CD2 LEU 6 -0.542 -2.252 -7.263 1.00 0.00 ATOM 46 O LEU 6 -0.405 -4.679 -11.419 1.00 0.00 ATOM 47 C LEU 6 -1.440 -4.797 -10.751 1.00 0.00 ATOM 48 N HIS 7 -2.316 -5.779 -10.941 1.00 0.00 ATOM 49 CA HIS 7 -2.107 -6.795 -11.963 1.00 0.00 ATOM 50 CB HIS 7 -3.241 -7.820 -11.939 1.00 0.00 ATOM 51 CG HIS 7 -3.129 -8.871 -13.000 1.00 0.00 ATOM 52 CD2 HIS 7 -3.809 -9.152 -14.255 1.00 0.00 ATOM 53 ND1 HIS 7 -2.214 -9.898 -12.936 1.00 0.00 ATOM 54 CE1 HIS 7 -2.353 -10.675 -14.025 1.00 0.00 ATOM 55 NE2 HIS 7 -3.308 -10.234 -14.822 1.00 0.00 ATOM 56 O HIS 7 -1.181 -6.409 -14.131 1.00 0.00 ATOM 57 C HIS 7 -2.073 -6.134 -13.329 1.00 0.00 ATOM 58 N GLN 8 -3.076 -5.299 -13.598 1.00 0.00 ATOM 59 CA GLN 8 -3.154 -4.597 -14.887 1.00 0.00 ATOM 60 CB GLN 8 -4.507 -3.938 -15.000 1.00 0.00 ATOM 61 CG GLN 8 -5.598 -5.022 -15.046 1.00 0.00 ATOM 62 CD GLN 8 -5.646 -5.741 -16.402 1.00 0.00 ATOM 63 OE1 GLN 8 -5.376 -5.125 -17.452 1.00 0.00 ATOM 64 NE2 GLN 8 -5.941 -7.050 -16.377 1.00 0.00 ATOM 65 O GLN 8 -1.552 -3.377 -16.227 1.00 0.00 ATOM 66 C GLN 8 -1.950 -3.655 -15.086 1.00 0.00 ATOM 67 N MET 9 -1.538 -3.004 -14.009 1.00 0.00 ATOM 68 CA MET 9 -0.404 -2.097 -14.059 1.00 0.00 ATOM 69 CB MET 9 -0.251 -1.355 -12.728 1.00 0.00 ATOM 70 CG MET 9 -1.352 -0.343 -12.454 1.00 0.00 ATOM 71 SD MET 9 -1.148 0.494 -10.869 1.00 0.00 ATOM 72 CE MET 9 -2.592 1.553 -10.857 1.00 0.00 ATOM 73 O MET 9 1.208 -3.826 -13.697 1.00 0.00 ATOM 74 C MET 9 0.906 -2.826 -14.328 1.00 0.00 ATOM 75 N THR 10 1.680 -2.317 -15.277 1.00 0.00 ATOM 76 CA THR 10 3.056 -2.757 -15.476 1.00 0.00 ATOM 77 CB THR 10 3.672 -2.135 -16.743 1.00 0.00 ATOM 78 CG2 THR 10 2.838 -2.484 -17.967 1.00 0.00 ATOM 79 OG1 THR 10 3.719 -0.709 -16.604 1.00 0.00 ATOM 80 O THR 10 3.529 -1.532 -13.434 1.00 0.00 ATOM 81 C THR 10 3.917 -2.355 -14.273 1.00 0.00 ATOM 82 N THR 11 5.111 -2.906 -14.170 1.00 0.00 ATOM 83 CA THR 11 6.051 -2.462 -13.143 1.00 0.00 ATOM 84 CB THR 11 7.407 -3.175 -13.298 1.00 0.00 ATOM 85 CG2 THR 11 8.371 -2.725 -12.210 1.00 0.00 ATOM 86 OG1 THR 11 7.221 -4.591 -13.196 1.00 0.00 ATOM 87 O THR 11 6.373 -0.278 -12.187 1.00 0.00 ATOM 88 C THR 11 6.291 -0.955 -13.215 1.00 0.00 ATOM 89 N GLN 12 6.459 -0.421 -14.458 1.00 0.00 ATOM 90 CA GLN 12 6.696 1.004 -14.686 1.00 0.00 ATOM 91 CB GLN 12 6.743 1.305 -16.186 1.00 0.00 ATOM 92 CG GLN 12 7.020 2.762 -16.518 1.00 0.00 ATOM 93 CD GLN 12 7.080 3.018 -18.012 1.00 0.00 ATOM 94 OE1 GLN 12 6.833 2.118 -18.815 1.00 0.00 ATOM 95 NE2 GLN 12 7.410 4.248 -18.388 1.00 0.00 ATOM 96 O GLN 12 5.768 2.831 -13.434 1.00 0.00 ATOM 97 C GLN 12 5.548 1.826 -14.111 1.00 0.00 ATOM 98 N ASP 13 4.320 1.391 -14.368 1.00 0.00 ATOM 99 CA ASP 13 3.156 2.097 -13.860 1.00 0.00 ATOM 100 CB ASP 13 1.894 1.485 -14.401 1.00 0.00 ATOM 101 CG ASP 13 1.598 1.878 -15.842 1.00 0.00 ATOM 102 OD1 ASP 13 2.242 2.824 -16.325 1.00 0.00 ATOM 103 OD2 ASP 13 0.719 1.244 -16.467 1.00 0.00 ATOM 104 O ASP 13 2.663 3.053 -11.678 1.00 0.00 ATOM 105 C ASP 13 3.105 2.078 -12.334 1.00 0.00 ATOM 106 N LEU 14 3.518 0.955 -11.770 1.00 0.00 ATOM 107 CA LEU 14 3.580 0.824 -10.312 1.00 0.00 ATOM 108 CB LEU 14 3.837 -0.618 -9.858 1.00 0.00 ATOM 109 CG LEU 14 2.737 -1.578 -10.307 1.00 0.00 ATOM 110 CD1 LEU 14 3.215 -3.003 -10.076 1.00 0.00 ATOM 111 CD2 LEU 14 1.414 -1.258 -9.596 1.00 0.00 ATOM 112 O LEU 14 4.256 2.472 -8.775 1.00 0.00 ATOM 113 C LEU 14 4.569 1.820 -9.740 1.00 0.00 ATOM 114 N VAL 15 5.747 1.939 -10.334 1.00 0.00 ATOM 115 CA VAL 15 6.725 2.945 -9.804 1.00 0.00 ATOM 116 CB VAL 15 8.059 2.805 -10.591 1.00 0.00 ATOM 117 CG1 VAL 15 8.996 3.952 -10.226 1.00 0.00 ATOM 118 CG2 VAL 15 8.716 1.462 -10.289 1.00 0.00 ATOM 119 O VAL 15 6.347 5.152 -9.024 1.00 0.00 ATOM 120 C VAL 15 6.188 4.351 -9.929 1.00 0.00 ATOM 121 N ALA 16 5.654 4.668 -11.069 1.00 0.00 ATOM 122 CA ALA 16 5.155 6.020 -11.251 1.00 0.00 ATOM 123 CB ALA 16 4.662 6.202 -12.693 1.00 0.00 ATOM 124 O ALA 16 4.049 7.387 -9.603 1.00 0.00 ATOM 125 C ALA 16 4.030 6.324 -10.266 1.00 0.00 ATOM 126 N LEU 17 3.067 5.449 -10.106 1.00 0.00 ATOM 127 CA LEU 17 1.976 5.617 -9.160 1.00 0.00 ATOM 128 CB LEU 17 0.974 4.473 -9.241 1.00 0.00 ATOM 129 CG LEU 17 -0.316 4.655 -8.444 1.00 0.00 ATOM 130 CD1 LEU 17 -1.080 5.856 -8.979 1.00 0.00 ATOM 131 CD2 LEU 17 -1.176 3.403 -8.511 1.00 0.00 ATOM 132 O LEU 17 2.003 6.494 -6.893 1.00 0.00 ATOM 133 C LEU 17 2.484 5.693 -7.709 1.00 0.00 ATOM 134 N PHE 18 3.491 4.884 -7.411 1.00 0.00 ATOM 135 CA PHE 18 4.104 4.917 -6.072 1.00 0.00 ATOM 136 CB PHE 18 5.154 3.766 -6.001 1.00 0.00 ATOM 137 CG PHE 18 5.832 3.625 -4.655 1.00 0.00 ATOM 138 CD1 PHE 18 5.285 2.799 -3.665 1.00 0.00 ATOM 139 CD2 PHE 18 7.007 4.315 -4.376 1.00 0.00 ATOM 140 CE1 PHE 18 5.908 2.667 -2.415 1.00 0.00 ATOM 141 CE2 PHE 18 7.637 4.192 -3.128 1.00 0.00 ATOM 142 CZ PHE 18 7.091 3.369 -2.149 1.00 0.00 ATOM 143 O PHE 18 4.589 6.802 -4.636 1.00 0.00 ATOM 144 C PHE 18 4.795 6.256 -5.724 1.00 0.00 ATOM 145 N ALA 19 5.601 6.769 -6.625 1.00 0.00 ATOM 146 CA ALA 19 6.282 8.038 -6.351 1.00 0.00 ATOM 147 CB ALA 19 7.330 8.302 -7.425 1.00 0.00 ATOM 148 O ALA 19 5.394 10.030 -5.397 1.00 0.00 ATOM 149 C ALA 19 5.260 9.160 -6.248 1.00 0.00 ATOM 150 N LYS 20 4.232 9.145 -7.106 1.00 0.00 ATOM 151 CA LYS 20 3.190 10.165 -7.029 1.00 0.00 ATOM 152 CB LYS 20 2.162 10.022 -8.138 1.00 0.00 ATOM 153 CG LYS 20 1.160 11.170 -8.169 1.00 0.00 ATOM 154 CD LYS 20 0.265 11.072 -9.393 1.00 0.00 ATOM 155 CE LYS 20 -0.713 12.232 -9.449 1.00 0.00 ATOM 156 NZ LYS 20 -1.506 12.188 -10.709 1.00 0.00 ATOM 157 O LYS 20 2.241 11.158 -5.071 1.00 0.00 ATOM 158 C LYS 20 2.461 10.120 -5.693 1.00 0.00 ATOM 159 N VAL 21 2.178 8.898 -5.175 1.00 0.00 ATOM 160 CA VAL 21 1.514 8.745 -3.887 1.00 0.00 ATOM 161 CB VAL 21 1.186 7.274 -3.568 1.00 0.00 ATOM 162 CG1 VAL 21 0.741 7.130 -2.121 1.00 0.00 ATOM 163 CG2 VAL 21 0.069 6.770 -4.468 1.00 0.00 ATOM 164 O VAL 21 2.088 10.023 -1.942 1.00 0.00 ATOM 165 C VAL 21 2.480 9.268 -2.813 1.00 0.00 ATOM 166 N THR 22 3.761 8.896 -2.922 1.00 0.00 ATOM 167 CA THR 22 4.781 9.344 -1.971 1.00 0.00 ATOM 168 CB THR 22 6.183 8.784 -2.384 1.00 0.00 ATOM 169 CG2 THR 22 7.288 9.177 -1.335 1.00 0.00 ATOM 170 OG1 THR 22 6.104 7.348 -2.476 1.00 0.00 ATOM 171 O THR 22 4.998 11.461 -0.814 1.00 0.00 ATOM 172 C THR 22 4.935 10.865 -1.904 1.00 0.00 ATOM 173 N VAL 23 4.994 11.498 -3.058 1.00 0.00 ATOM 174 CA VAL 23 5.119 12.930 -3.108 1.00 0.00 ATOM 175 CB VAL 23 5.255 13.435 -4.556 1.00 0.00 ATOM 176 CG1 VAL 23 5.186 14.954 -4.600 1.00 0.00 ATOM 177 CG2 VAL 23 6.585 12.997 -5.152 1.00 0.00 ATOM 178 O VAL 23 4.048 14.506 -1.641 1.00 0.00 ATOM 179 C VAL 23 3.906 13.580 -2.454 1.00 0.00 ATOM 180 N GLU 24 2.682 13.101 -2.757 1.00 0.00 ATOM 181 CA GLU 24 1.493 13.695 -2.135 1.00 0.00 ATOM 182 CB GLU 24 0.222 13.065 -2.708 1.00 0.00 ATOM 183 CG GLU 24 -0.067 13.450 -4.150 1.00 0.00 ATOM 184 CD GLU 24 -1.261 12.712 -4.722 1.00 0.00 ATOM 185 OE1 GLU 24 -1.819 11.848 -4.016 1.00 0.00 ATOM 186 OE2 GLU 24 -1.638 12.998 -5.878 1.00 0.00 ATOM 187 O GLU 24 1.073 14.339 0.124 1.00 0.00 ATOM 188 C GLU 24 1.478 13.461 -0.611 1.00 0.00 ATOM 189 N GLN 25 1.935 12.291 -0.153 1.00 0.00 ATOM 190 CA GLN 25 2.012 11.960 1.277 1.00 0.00 ATOM 191 CB GLN 25 2.608 10.565 1.473 1.00 0.00 ATOM 192 CG GLN 25 2.698 10.126 2.926 1.00 0.00 ATOM 193 CD GLN 25 3.275 8.732 3.079 1.00 0.00 ATOM 194 OE1 GLN 25 3.692 8.111 2.101 1.00 0.00 ATOM 195 NE2 GLN 25 3.297 8.235 4.309 1.00 0.00 ATOM 196 O GLN 25 2.586 13.528 3.019 1.00 0.00 ATOM 197 C GLN 25 2.913 12.991 1.961 1.00 0.00 ATOM 198 N ASP 26 4.044 13.283 1.334 1.00 0.00 ATOM 199 CA ASP 26 5.003 14.238 1.886 1.00 0.00 ATOM 200 CB ASP 26 6.247 14.323 0.999 1.00 0.00 ATOM 201 CG ASP 26 7.129 13.096 1.116 1.00 0.00 ATOM 202 OD1 ASP 26 6.910 12.293 2.046 1.00 0.00 ATOM 203 OD2 ASP 26 8.041 12.938 0.275 1.00 0.00 ATOM 204 O ASP 26 4.530 16.309 2.983 1.00 0.00 ATOM 205 C ASP 26 4.373 15.630 1.971 1.00 0.00 ATOM 206 N ASP 27 3.658 16.049 0.931 1.00 0.00 ATOM 207 CA ASP 27 2.963 17.330 0.980 1.00 0.00 ATOM 208 CB ASP 27 2.210 17.582 -0.328 1.00 0.00 ATOM 209 CG ASP 27 3.137 17.910 -1.481 1.00 0.00 ATOM 210 OD1 ASP 27 4.330 18.177 -1.226 1.00 0.00 ATOM 211 OD2 ASP 27 2.671 17.899 -2.640 1.00 0.00 ATOM 212 O ASP 27 1.859 18.300 2.937 1.00 0.00 ATOM 213 C ASP 27 1.947 17.328 2.152 1.00 0.00 ATOM 214 N ALA 28 1.193 16.243 2.283 1.00 0.00 ATOM 215 CA ALA 28 0.193 16.131 3.368 1.00 0.00 ATOM 216 CB ALA 28 -0.608 14.845 3.220 1.00 0.00 ATOM 217 O ALA 28 0.398 16.777 5.688 1.00 0.00 ATOM 218 C ALA 28 0.890 16.153 4.744 1.00 0.00 ATOM 219 N LEU 29 2.043 15.493 4.838 1.00 0.00 ATOM 220 CA LEU 29 2.798 15.454 6.075 1.00 0.00 ATOM 221 CB LEU 29 4.090 14.655 5.889 1.00 0.00 ATOM 222 CG LEU 29 5.034 14.602 7.092 1.00 0.00 ATOM 223 CD1 LEU 29 4.356 13.935 8.278 1.00 0.00 ATOM 224 CD2 LEU 29 6.289 13.814 6.755 1.00 0.00 ATOM 225 O LEU 29 3.005 17.268 7.653 1.00 0.00 ATOM 226 C LEU 29 3.196 16.894 6.500 1.00 0.00 ATOM 227 N LEU 30 3.741 17.666 5.561 1.00 0.00 ATOM 228 CA LEU 30 4.134 19.066 5.781 1.00 0.00 ATOM 229 CB LEU 30 4.833 19.626 4.540 1.00 0.00 ATOM 230 CG LEU 30 6.202 19.031 4.207 1.00 0.00 ATOM 231 CD1 LEU 30 6.711 19.563 2.875 1.00 0.00 ATOM 232 CD2 LEU 30 7.219 19.389 5.279 1.00 0.00 ATOM 233 O LEU 30 3.085 20.929 6.826 1.00 0.00 ATOM 234 C LEU 30 2.927 19.928 6.083 1.00 0.00 ATOM 235 N GLY 31 1.768 19.580 5.547 1.00 0.00 ATOM 236 CA GLY 31 0.560 20.338 5.832 1.00 0.00 ATOM 237 O GLY 31 -1.044 20.636 7.559 1.00 0.00 ATOM 238 C GLY 31 -0.040 20.030 7.186 1.00 0.00 ATOM 239 N ASN 32 0.590 19.067 7.934 1.00 0.00 ATOM 240 CA ASN 32 0.049 18.543 9.195 1.00 0.00 ATOM 241 CB ASN 32 0.093 19.606 10.295 1.00 0.00 ATOM 242 CG ASN 32 1.508 19.969 10.700 1.00 0.00 ATOM 243 ND2 ASN 32 1.689 21.191 11.184 1.00 0.00 ATOM 244 OD1 ASN 32 2.426 19.157 10.577 1.00 0.00 ATOM 245 O ASN 32 -2.167 18.087 10.049 1.00 0.00 ATOM 246 C ASN 32 -1.410 18.077 9.075 1.00 0.00 ATOM 247 N GLN 33 -1.772 17.626 7.878 1.00 0.00 ATOM 248 CA GLN 33 -3.069 17.008 7.618 1.00 0.00 ATOM 249 CB GLN 33 -3.710 17.653 6.317 1.00 0.00 ATOM 250 CG GLN 33 -3.473 19.149 6.129 1.00 0.00 ATOM 251 CD GLN 33 -3.791 19.608 4.724 1.00 0.00 ATOM 252 OE1 GLN 33 -4.954 19.683 4.341 1.00 0.00 ATOM 253 NE2 GLN 33 -2.765 19.916 3.960 1.00 0.00 ATOM 254 O GLN 33 -2.768 14.668 7.025 1.00 0.00 ATOM 255 C GLN 33 -2.933 15.488 7.900 1.00 0.00 ATOM 256 N ILE 34 -2.968 15.168 9.228 1.00 0.00 ATOM 257 CA ILE 34 -2.809 13.824 9.709 1.00 0.00 ATOM 258 CB ILE 34 -2.937 13.685 11.238 1.00 0.00 ATOM 259 CG1 ILE 34 -1.857 14.510 11.940 1.00 0.00 ATOM 260 CG2 ILE 34 -2.779 12.230 11.655 1.00 0.00 ATOM 261 CD1 ILE 34 -2.063 14.643 13.432 1.00 0.00 ATOM 262 O ILE 34 -3.415 11.761 8.681 1.00 0.00 ATOM 263 C ILE 34 -3.798 12.850 9.084 1.00 0.00 ATOM 264 N SER 35 -5.176 13.063 9.035 1.00 0.00 ATOM 265 CA SER 35 -6.108 12.130 8.435 1.00 0.00 ATOM 266 CB SER 35 -7.488 12.786 8.349 1.00 0.00 ATOM 267 OG SER 35 -8.060 12.940 9.636 1.00 0.00 ATOM 268 O SER 35 -5.694 10.620 6.625 1.00 0.00 ATOM 269 C SER 35 -5.659 11.785 7.007 1.00 0.00 ATOM 270 N ARG 36 -5.270 12.796 6.226 1.00 0.00 ATOM 271 CA ARG 36 -4.852 12.551 4.842 1.00 0.00 ATOM 272 CB ARG 36 -4.761 13.906 4.103 1.00 0.00 ATOM 273 CG ARG 36 -6.086 14.595 3.860 1.00 0.00 ATOM 274 CD ARG 36 -5.873 15.950 3.211 1.00 0.00 ATOM 275 NE ARG 36 -7.128 16.537 2.757 1.00 0.00 ATOM 276 CZ ARG 36 -7.227 17.726 2.170 1.00 0.00 ATOM 277 NH1 ARG 36 -6.143 18.464 1.971 1.00 0.00 ATOM 278 NH2 ARG 36 -8.410 18.168 1.763 1.00 0.00 ATOM 279 O ARG 36 -3.341 10.932 4.015 1.00 0.00 ATOM 280 C ARG 36 -3.533 11.808 4.819 1.00 0.00 ATOM 281 N PHE 37 -2.619 12.152 5.745 1.00 0.00 ATOM 282 CA PHE 37 -1.338 11.490 5.764 1.00 0.00 ATOM 283 CB PHE 37 -0.428 12.114 6.824 1.00 0.00 ATOM 284 CG PHE 37 0.936 11.490 6.896 1.00 0.00 ATOM 285 CD1 PHE 37 1.904 11.796 5.955 1.00 0.00 ATOM 286 CD2 PHE 37 1.251 10.594 7.904 1.00 0.00 ATOM 287 CE1 PHE 37 3.160 11.222 6.022 1.00 0.00 ATOM 288 CE2 PHE 37 2.506 10.020 7.970 1.00 0.00 ATOM 289 CZ PHE 37 3.458 10.329 7.034 1.00 0.00 ATOM 290 O PHE 37 -0.954 9.132 5.430 1.00 0.00 ATOM 291 C PHE 37 -1.572 10.000 6.064 1.00 0.00 ATOM 292 N ASN 38 -2.447 9.726 7.004 1.00 0.00 ATOM 293 CA ASN 38 -2.726 8.324 7.366 1.00 0.00 ATOM 294 CB ASN 38 -3.691 8.195 8.489 1.00 0.00 ATOM 295 CG ASN 38 -3.076 8.658 9.783 1.00 0.00 ATOM 296 ND2 ASN 38 -3.914 9.019 10.752 1.00 0.00 ATOM 297 OD1 ASN 38 -1.848 8.690 9.910 1.00 0.00 ATOM 298 O ASN 38 -2.796 6.529 5.791 1.00 0.00 ATOM 299 C ASN 38 -3.267 7.612 6.132 1.00 0.00 ATOM 300 N ARG 39 -4.238 8.214 5.456 1.00 0.00 ATOM 301 CA ARG 39 -4.870 7.553 4.295 1.00 0.00 ATOM 302 CB ARG 39 -6.006 8.420 3.758 1.00 0.00 ATOM 303 CG ARG 39 -6.816 7.770 2.638 1.00 0.00 ATOM 304 CD ARG 39 -7.931 8.638 2.125 1.00 0.00 ATOM 305 NE ARG 39 -7.415 9.870 1.539 1.00 0.00 ATOM 306 CZ ARG 39 -6.971 10.010 0.295 1.00 0.00 ATOM 307 NH1 ARG 39 -6.986 8.980 -0.569 1.00 0.00 ATOM 308 NH2 ARG 39 -6.518 11.183 -0.111 1.00 0.00 ATOM 309 O ARG 39 -3.875 6.136 2.630 1.00 0.00 ATOM 310 C ARG 39 -3.865 7.232 3.192 1.00 0.00 ATOM 311 N LEU 40 -2.983 8.174 2.883 1.00 0.00 ATOM 312 CA LEU 40 -1.977 7.984 1.841 1.00 0.00 ATOM 313 CB LEU 40 -1.290 9.310 1.511 1.00 0.00 ATOM 314 CG LEU 40 -2.147 10.362 0.806 1.00 0.00 ATOM 315 CD1 LEU 40 -1.400 11.683 0.703 1.00 0.00 ATOM 316 CD2 LEU 40 -2.509 9.908 -0.599 1.00 0.00 ATOM 317 O LEU 40 -0.576 6.085 1.428 1.00 0.00 ATOM 318 C LEU 40 -0.918 6.945 2.238 1.00 0.00 ATOM 319 N PHE 41 -0.415 7.015 3.481 1.00 0.00 ATOM 320 CA PHE 41 0.587 6.034 3.910 1.00 0.00 ATOM 321 CB PHE 41 1.062 6.312 5.337 1.00 0.00 ATOM 322 CG PHE 41 2.052 5.308 5.854 1.00 0.00 ATOM 323 CD1 PHE 41 3.382 5.369 5.480 1.00 0.00 ATOM 324 CD2 PHE 41 1.651 4.300 6.715 1.00 0.00 ATOM 325 CE1 PHE 41 4.293 4.445 5.956 1.00 0.00 ATOM 326 CE2 PHE 41 2.561 3.376 7.190 1.00 0.00 ATOM 327 CZ PHE 41 3.877 3.445 6.816 1.00 0.00 ATOM 328 O PHE 41 0.655 3.689 3.374 1.00 0.00 ATOM 329 C PHE 41 -0.011 4.628 3.824 1.00 0.00 ATOM 330 N GLY 42 -1.217 4.472 4.291 1.00 0.00 ATOM 331 CA GLY 42 -1.857 3.168 4.321 1.00 0.00 ATOM 332 O GLY 42 -1.949 1.444 2.615 1.00 0.00 ATOM 333 C GLY 42 -2.148 2.627 2.903 1.00 0.00 ATOM 334 N VAL 43 -2.658 3.496 2.035 1.00 0.00 ATOM 335 CA VAL 43 -2.945 3.136 0.652 1.00 0.00 ATOM 336 CB VAL 43 -3.570 4.313 -0.119 1.00 0.00 ATOM 337 CG1 VAL 43 -3.697 3.976 -1.597 1.00 0.00 ATOM 338 CG2 VAL 43 -4.957 4.629 0.422 1.00 0.00 ATOM 339 O VAL 43 -1.642 1.725 -0.747 1.00 0.00 ATOM 340 C VAL 43 -1.626 2.727 -0.011 1.00 0.00 ATOM 341 N MET 44 -0.503 3.445 0.238 1.00 0.00 ATOM 342 CA MET 44 0.785 3.077 -0.334 1.00 0.00 ATOM 343 CB MET 44 1.825 4.085 0.155 1.00 0.00 ATOM 344 CG MET 44 3.236 3.812 -0.344 1.00 0.00 ATOM 345 SD MET 44 4.443 4.981 0.310 1.00 0.00 ATOM 346 CE MET 44 4.551 4.438 2.013 1.00 0.00 ATOM 347 O MET 44 1.592 0.834 -0.713 1.00 0.00 ATOM 348 C MET 44 1.180 1.670 0.118 1.00 0.00 ATOM 349 N ALA 45 1.042 1.405 1.422 1.00 0.00 ATOM 350 CA ALA 45 1.395 0.082 1.982 1.00 0.00 ATOM 351 CB ALA 45 1.214 0.082 3.492 1.00 0.00 ATOM 352 O ALA 45 0.961 -2.092 1.063 1.00 0.00 ATOM 353 C ALA 45 0.497 -1.015 1.381 1.00 0.00 ATOM 354 N GLU 46 -0.792 -0.717 1.218 1.00 0.00 ATOM 355 CA GLU 46 -1.730 -1.631 0.562 1.00 0.00 ATOM 356 CB GLU 46 -3.125 -1.005 0.492 1.00 0.00 ATOM 357 CG GLU 46 -4.176 -1.903 -0.141 1.00 0.00 ATOM 358 CD GLU 46 -5.550 -1.265 -0.162 1.00 0.00 ATOM 359 OE1 GLU 46 -5.684 -0.124 0.328 1.00 0.00 ATOM 360 OE2 GLU 46 -6.495 -1.905 -0.673 1.00 0.00 ATOM 361 O GLU 46 -1.260 -3.113 -1.289 1.00 0.00 ATOM 362 C GLU 46 -1.279 -1.953 -0.878 1.00 0.00 ATOM 363 N ILE 47 -0.879 -0.946 -1.638 1.00 0.00 ATOM 364 CA ILE 47 -0.427 -1.159 -3.028 1.00 0.00 ATOM 365 CB ILE 47 -0.094 0.170 -3.716 1.00 0.00 ATOM 366 CG1 ILE 47 -1.385 0.965 -3.927 1.00 0.00 ATOM 367 CG2 ILE 47 0.622 -0.080 -5.042 1.00 0.00 ATOM 368 CD1 ILE 47 -1.167 2.383 -4.406 1.00 0.00 ATOM 369 O ILE 47 0.892 -3.051 -3.835 1.00 0.00 ATOM 370 C ILE 47 0.802 -2.092 -3.042 1.00 0.00 ATOM 371 N ALA 48 1.721 -1.808 -2.144 1.00 0.00 ATOM 372 CA ALA 48 2.992 -2.513 -2.072 1.00 0.00 ATOM 373 CB ALA 48 3.882 -1.865 -1.054 1.00 0.00 ATOM 374 O ALA 48 3.414 -4.835 -2.296 1.00 0.00 ATOM 375 C ALA 48 2.789 -3.960 -1.698 1.00 0.00 ATOM 376 N ASP 49 1.941 -4.206 -0.697 1.00 0.00 ATOM 377 CA ASP 49 1.616 -5.576 -0.308 1.00 0.00 ATOM 378 CB ASP 49 0.642 -5.592 0.896 1.00 0.00 ATOM 379 CG ASP 49 1.311 -5.251 2.206 1.00 0.00 ATOM 380 OD1 ASP 49 2.525 -5.530 2.356 1.00 0.00 ATOM 381 OD2 ASP 49 0.609 -4.728 3.093 1.00 0.00 ATOM 382 O ASP 49 1.284 -7.545 -1.621 1.00 0.00 ATOM 383 C ASP 49 0.962 -6.355 -1.446 1.00 0.00 ATOM 384 N GLU 50 0.103 -5.664 -2.232 1.00 0.00 ATOM 385 CA GLU 50 -0.523 -6.306 -3.344 1.00 0.00 ATOM 386 CB GLU 50 -1.549 -5.372 -3.990 1.00 0.00 ATOM 387 CG GLU 50 -2.773 -5.106 -3.132 1.00 0.00 ATOM 388 CD GLU 50 -3.697 -4.069 -3.740 1.00 0.00 ATOM 389 OE1 GLU 50 -3.345 -3.509 -4.799 1.00 0.00 ATOM 390 OE2 GLU 50 -4.773 -3.818 -3.158 1.00 0.00 ATOM 391 O GLU 50 0.543 -7.895 -4.827 1.00 0.00 ATOM 392 C GLU 50 0.494 -6.725 -4.420 1.00 0.00 ATOM 393 N LEU 51 1.335 -5.813 -4.867 1.00 0.00 ATOM 394 CA LEU 51 2.335 -6.073 -5.901 1.00 0.00 ATOM 395 CB LEU 51 2.990 -4.791 -6.421 1.00 0.00 ATOM 396 CG LEU 51 3.964 -4.955 -7.592 1.00 0.00 ATOM 397 CD1 LEU 51 3.260 -5.562 -8.795 1.00 0.00 ATOM 398 CD2 LEU 51 4.537 -3.609 -8.005 1.00 0.00 ATOM 399 O LEU 51 4.000 -7.744 -6.304 1.00 0.00 ATOM 400 C LEU 51 3.491 -6.937 -5.490 1.00 0.00 ATOM 401 N LYS 52 3.973 -6.839 -4.240 1.00 0.00 ATOM 402 CA LYS 52 5.132 -7.621 -3.811 1.00 0.00 ATOM 403 CB LYS 52 5.569 -7.240 -2.395 1.00 0.00 ATOM 404 CG LYS 52 6.108 -5.824 -2.271 1.00 0.00 ATOM 405 CD LYS 52 6.491 -5.503 -0.836 1.00 0.00 ATOM 406 CE LYS 52 7.063 -4.099 -0.718 1.00 0.00 ATOM 407 NZ LYS 52 7.432 -3.766 0.686 1.00 0.00 ATOM 408 O LYS 52 5.849 -9.929 -3.856 1.00 0.00 ATOM 409 C LYS 52 4.896 -9.145 -3.825 1.00 0.00 ATOM 410 N ALA 53 3.627 -9.549 -3.796 1.00 0.00 ATOM 411 CA ALA 53 3.229 -10.948 -3.845 1.00 0.00 ATOM 412 CB ALA 53 1.901 -11.153 -3.243 1.00 0.00 ATOM 413 O ALA 53 3.033 -12.670 -5.491 1.00 0.00 ATOM 414 C ALA 53 3.157 -11.474 -5.286 1.00 0.00 ATOM 415 N ARG 54 3.122 -10.580 -6.272 1.00 0.00 ATOM 416 CA ARG 54 2.932 -11.009 -7.642 1.00 0.00 ATOM 417 CB ARG 54 2.713 -9.822 -8.557 1.00 0.00 ATOM 418 CG ARG 54 1.440 -9.026 -8.212 1.00 0.00 ATOM 419 CD ARG 54 0.179 -9.902 -8.245 1.00 0.00 ATOM 420 NE ARG 54 -1.086 -9.155 -8.164 1.00 0.00 ATOM 421 CZ ARG 54 -1.877 -9.075 -7.087 1.00 0.00 ATOM 422 NH1 ARG 54 -1.571 -9.695 -5.954 1.00 0.00 ATOM 423 NH2 ARG 54 -3.003 -8.371 -7.139 1.00 0.00 ATOM 424 O ARG 54 4.054 -12.485 -9.164 1.00 0.00 ATOM 425 C ARG 54 4.140 -11.794 -8.150 1.00 0.00 ATOM 426 N ASP 55 5.247 -11.734 -7.417 1.00 0.00 ATOM 427 CA ASP 55 6.449 -12.464 -7.812 1.00 0.00 ATOM 428 CB ASP 55 7.718 -11.854 -7.240 1.00 0.00 ATOM 429 CG ASP 55 7.759 -11.792 -5.714 1.00 0.00 ATOM 430 OD1 ASP 55 6.823 -12.278 -5.050 1.00 0.00 ATOM 431 OD2 ASP 55 8.736 -11.239 -5.175 1.00 0.00 ATOM 432 O ASP 55 7.314 -14.692 -7.528 1.00 0.00 ATOM 433 C ASP 55 6.388 -13.907 -7.316 1.00 0.00 ATOM 434 N GLY 56 5.283 -14.248 -6.650 1.00 0.00 ATOM 435 CA GLY 56 5.120 -15.603 -6.151 1.00 0.00 ATOM 436 O GLY 56 5.903 -17.109 -4.481 1.00 0.00 ATOM 437 C GLY 56 5.824 -15.933 -4.849 1.00 0.00 ATOM 438 N ASP 57 6.361 -14.903 -4.162 1.00 0.00 ATOM 439 CA ASP 57 7.031 -15.146 -2.884 1.00 0.00 ATOM 440 CB ASP 57 7.617 -13.840 -2.345 1.00 0.00 ATOM 441 CG ASP 57 8.866 -13.411 -3.092 1.00 0.00 ATOM 442 OD1 ASP 57 9.387 -14.218 -3.892 1.00 0.00 ATOM 443 OD2 ASP 57 9.322 -12.270 -2.877 1.00 0.00 ATOM 444 O ASP 57 4.833 -15.255 -1.906 1.00 0.00 ATOM 445 C ASP 57 5.997 -15.672 -1.891 1.00 0.00 ATOM 446 N GLN 58 6.411 -16.603 -1.019 1.00 0.00 ATOM 447 CA GLN 58 5.524 -17.183 -0.022 1.00 0.00 ATOM 448 CB GLN 58 6.378 -17.488 1.283 1.00 0.00 ATOM 449 CG GLN 58 7.924 -17.693 1.053 1.00 0.00 ATOM 450 CD GLN 58 8.323 -19.149 0.746 1.00 0.00 ATOM 451 OE1 GLN 58 9.134 -19.407 -0.155 1.00 0.00 ATOM 452 NE2 GLN 58 7.776 -20.089 1.491 1.00 0.00 ATOM 453 O GLN 58 3.807 -16.427 1.478 1.00 0.00 ATOM 454 C GLN 58 4.864 -16.161 0.903 1.00 0.00 ATOM 455 N ARG 59 5.517 -14.872 0.735 1.00 0.00 ATOM 456 CA ARG 59 4.915 -13.786 1.480 1.00 0.00 ATOM 457 CB ARG 59 5.782 -12.529 1.400 1.00 0.00 ATOM 458 CG ARG 59 7.072 -12.611 2.201 1.00 0.00 ATOM 459 CD ARG 59 7.899 -11.345 2.047 1.00 0.00 ATOM 460 NE ARG 59 8.408 -11.187 0.687 1.00 0.00 ATOM 461 CZ ARG 59 9.269 -10.245 0.316 1.00 0.00 ATOM 462 NH1 ARG 59 9.677 -10.178 -0.944 1.00 0.00 ATOM 463 NH2 ARG 59 9.720 -9.371 1.207 1.00 0.00 ATOM 464 O ARG 59 2.749 -12.752 1.478 1.00 0.00 ATOM 465 C ARG 59 3.549 -13.476 0.883 1.00 0.00 ATOM 466 N THR 60 3.300 -14.038 -0.299 1.00 0.00 ATOM 467 CA THR 60 2.009 -13.825 -0.945 1.00 0.00 ATOM 468 CB THR 60 2.004 -14.367 -2.386 1.00 0.00 ATOM 469 CG2 THR 60 0.639 -14.159 -3.028 1.00 0.00 ATOM 470 OG1 THR 60 2.992 -13.679 -3.163 1.00 0.00 ATOM 471 O THR 60 -0.203 -13.987 -0.148 1.00 0.00 ATOM 472 C THR 60 0.884 -14.510 -0.188 1.00 0.00 ATOM 473 N ALA 61 1.167 -15.635 0.458 1.00 0.00 ATOM 474 CA ALA 61 0.176 -16.245 1.348 1.00 0.00 ATOM 475 CB ALA 61 0.722 -17.529 1.954 1.00 0.00 ATOM 476 O ALA 61 -1.345 -15.118 2.830 1.00 0.00 ATOM 477 C ALA 61 -0.174 -15.275 2.471 1.00 0.00 ATOM 478 N LEU 62 0.844 -14.636 3.040 1.00 0.00 ATOM 479 CA LEU 62 0.621 -13.678 4.119 1.00 0.00 ATOM 480 CB LEU 62 1.957 -13.197 4.692 1.00 0.00 ATOM 481 CG LEU 62 2.770 -14.230 5.473 1.00 0.00 ATOM 482 CD1 LEU 62 4.141 -13.678 5.829 1.00 0.00 ATOM 483 CD2 LEU 62 2.061 -14.609 6.764 1.00 0.00 ATOM 484 O LEU 62 -1.007 -11.946 4.372 1.00 0.00 ATOM 485 C LEU 62 -0.139 -12.446 3.657 1.00 0.00 ATOM 486 N LEU 63 0.187 -11.945 2.469 1.00 0.00 ATOM 487 CA LEU 63 -0.502 -10.770 1.951 1.00 0.00 ATOM 488 CB LEU 63 0.089 -10.370 0.588 1.00 0.00 ATOM 489 CG LEU 63 1.561 -9.940 0.623 1.00 0.00 ATOM 490 CD1 LEU 63 1.992 -9.487 -0.764 1.00 0.00 ATOM 491 CD2 LEU 63 1.752 -8.809 1.631 1.00 0.00 ATOM 492 O LEU 63 -2.820 -10.185 2.093 1.00 0.00 ATOM 493 C LEU 63 -1.999 -11.049 1.811 1.00 0.00 ATOM 494 N SER 64 -2.337 -12.258 1.406 1.00 0.00 ATOM 495 CA SER 64 -3.752 -12.613 1.269 1.00 0.00 ATOM 496 CB SER 64 -3.890 -14.016 0.674 1.00 0.00 ATOM 497 OG SER 64 -3.383 -14.062 -0.648 1.00 0.00 ATOM 498 O SER 64 -5.604 -12.134 2.706 1.00 0.00 ATOM 499 C SER 64 -4.460 -12.565 2.616 1.00 0.00 ATOM 500 N LEU 65 -3.756 -13.008 3.644 1.00 0.00 ATOM 501 CA LEU 65 -4.347 -12.991 4.977 1.00 0.00 ATOM 502 CB LEU 65 -3.413 -13.657 5.990 1.00 0.00 ATOM 503 CG LEU 65 -3.145 -15.150 5.787 1.00 0.00 ATOM 504 CD1 LEU 65 -2.114 -15.651 6.785 1.00 0.00 ATOM 505 CD2 LEU 65 -4.422 -15.955 5.975 1.00 0.00 ATOM 506 O LEU 65 -5.464 -11.391 6.395 1.00 0.00 ATOM 507 C LEU 65 -4.661 -11.579 5.467 1.00 0.00 ATOM 508 N PHE 66 -4.035 -10.579 4.850 1.00 0.00 ATOM 509 CA PHE 66 -4.363 -9.210 5.228 1.00 0.00 ATOM 510 CB PHE 66 -3.357 -8.293 4.450 1.00 0.00 ATOM 511 CG PHE 66 -3.562 -6.830 4.688 1.00 0.00 ATOM 512 CD1 PHE 66 -2.861 -6.169 5.686 1.00 0.00 ATOM 513 CD2 PHE 66 -4.459 -6.118 3.900 1.00 0.00 ATOM 514 CE1 PHE 66 -3.063 -4.800 5.894 1.00 0.00 ATOM 515 CE2 PHE 66 -4.665 -4.773 4.101 1.00 0.00 ATOM 516 CZ PHE 66 -3.968 -4.107 5.094 1.00 0.00 ATOM 517 O PHE 66 -6.452 -8.245 5.814 1.00 0.00 ATOM 518 C PHE 66 -5.858 -9.032 5.089 1.00 0.00 ATOM 519 N GLU 67 -6.476 -9.782 4.179 1.00 0.00 ATOM 520 CA GLU 67 -7.936 -9.713 3.997 1.00 0.00 ATOM 521 CB GLU 67 -8.298 -9.920 2.524 1.00 0.00 ATOM 522 CG GLU 67 -7.786 -8.828 1.600 1.00 0.00 ATOM 523 CD GLU 67 -8.163 -9.067 0.151 1.00 0.00 ATOM 524 OE1 GLU 67 -8.837 -10.080 -0.127 1.00 0.00 ATOM 525 OE2 GLU 67 -7.784 -8.240 -0.705 1.00 0.00 ATOM 526 O GLU 67 -9.971 -10.838 4.648 1.00 0.00 ATOM 527 C GLU 67 -8.759 -10.762 4.791 1.00 0.00 ATOM 528 N TYR 68 -8.065 -11.634 5.562 1.00 0.00 ATOM 529 CA TYR 68 -8.747 -12.679 6.339 1.00 0.00 ATOM 530 CB TYR 68 -7.667 -13.495 7.112 1.00 0.00 ATOM 531 CG TYR 68 -7.973 -14.951 7.316 1.00 0.00 ATOM 532 CD1 TYR 68 -8.513 -15.435 8.478 1.00 0.00 ATOM 533 CD2 TYR 68 -7.720 -15.854 6.279 1.00 0.00 ATOM 534 CE1 TYR 68 -8.793 -16.784 8.629 1.00 0.00 ATOM 535 CE2 TYR 68 -7.975 -17.194 6.425 1.00 0.00 ATOM 536 CZ TYR 68 -8.528 -17.666 7.617 1.00 0.00 ATOM 537 OH TYR 68 -8.742 -19.022 7.708 1.00 0.00 ATOM 538 O TYR 68 -9.686 -11.184 7.975 1.00 0.00 ATOM 539 C TYR 68 -9.858 -12.191 7.284 1.00 0.00 ATOM 540 N PRO 69 -10.984 -12.821 7.245 1.00 0.00 ATOM 541 CA PRO 69 -12.095 -12.429 8.133 1.00 0.00 ATOM 542 CB PRO 69 -13.137 -13.546 7.944 1.00 0.00 ATOM 543 CG PRO 69 -12.903 -13.985 6.461 1.00 0.00 ATOM 544 CD PRO 69 -11.356 -13.918 6.329 1.00 0.00 ATOM 545 O PRO 69 -12.478 -11.867 10.428 1.00 0.00 ATOM 546 C PRO 69 -11.784 -12.469 9.622 1.00 0.00 ATOM 547 N ASN 70 -10.695 -13.261 9.972 1.00 0.00 ATOM 548 CA ASN 70 -10.301 -13.442 11.358 1.00 0.00 ATOM 549 CB ASN 70 -9.628 -14.802 11.550 1.00 0.00 ATOM 550 CG ASN 70 -9.314 -15.097 13.004 1.00 0.00 ATOM 551 ND2 ASN 70 -9.232 -16.378 13.341 1.00 0.00 ATOM 552 OD1 ASN 70 -9.149 -14.183 13.811 1.00 0.00 ATOM 553 O ASN 70 -8.291 -12.165 11.068 1.00 0.00 ATOM 554 C ASN 70 -9.334 -12.318 11.715 1.00 0.00 ATOM 555 N MET 71 -9.713 -11.531 12.692 1.00 0.00 ATOM 556 CA MET 71 -8.885 -10.408 13.109 1.00 0.00 ATOM 557 CB MET 71 -9.557 -9.644 14.251 1.00 0.00 ATOM 558 CG MET 71 -10.782 -8.849 13.830 1.00 0.00 ATOM 559 SD MET 71 -11.393 -7.767 15.136 1.00 0.00 ATOM 560 CE MET 71 -12.149 -8.960 16.238 1.00 0.00 ATOM 561 O MET 71 -6.498 -10.187 13.307 1.00 0.00 ATOM 562 C MET 71 -7.502 -10.849 13.584 1.00 0.00 ATOM 563 N GLN 72 -7.484 -11.943 14.300 1.00 0.00 ATOM 564 CA GLN 72 -6.255 -12.502 14.863 1.00 0.00 ATOM 565 CB GLN 72 -6.499 -13.756 15.706 1.00 0.00 ATOM 566 CG GLN 72 -7.202 -13.489 17.026 1.00 0.00 ATOM 567 CD GLN 72 -7.529 -14.762 17.780 1.00 0.00 ATOM 568 OE1 GLN 72 -7.312 -15.865 17.278 1.00 0.00 ATOM 569 NE2 GLN 72 -8.054 -14.613 18.991 1.00 0.00 ATOM 570 O GLN 72 -4.079 -12.622 13.870 1.00 0.00 ATOM 571 C GLN 72 -5.285 -12.859 13.756 1.00 0.00 ATOM 572 N VAL 73 -5.812 -13.430 12.677 1.00 0.00 ATOM 573 CA VAL 73 -4.965 -13.822 11.549 1.00 0.00 ATOM 574 CB VAL 73 -5.750 -14.657 10.520 1.00 0.00 ATOM 575 CG1 VAL 73 -4.907 -14.899 9.278 1.00 0.00 ATOM 576 CG2 VAL 73 -6.134 -16.006 11.111 1.00 0.00 ATOM 577 O VAL 73 -3.191 -12.562 10.487 1.00 0.00 ATOM 578 C VAL 73 -4.396 -12.583 10.822 1.00 0.00 ATOM 579 N ARG 74 -5.250 -11.575 10.579 1.00 0.00 ATOM 580 CA ARG 74 -4.822 -10.332 9.955 1.00 0.00 ATOM 581 CB ARG 74 -5.939 -9.300 9.857 1.00 0.00 ATOM 582 CG ARG 74 -7.149 -9.815 9.071 1.00 0.00 ATOM 583 CD ARG 74 -8.246 -8.792 8.931 1.00 0.00 ATOM 584 NE ARG 74 -7.901 -7.799 7.914 1.00 0.00 ATOM 585 CZ ARG 74 -8.778 -7.221 7.108 1.00 0.00 ATOM 586 NH1 ARG 74 -10.068 -7.449 7.217 1.00 0.00 ATOM 587 NH2 ARG 74 -8.345 -6.374 6.152 1.00 0.00 ATOM 588 O ARG 74 -2.726 -9.161 10.104 1.00 0.00 ATOM 589 C ARG 74 -3.675 -9.677 10.710 1.00 0.00 ATOM 590 N LEU 75 -3.738 -9.761 12.030 1.00 0.00 ATOM 591 CA LEU 75 -2.709 -9.168 12.871 1.00 0.00 ATOM 592 CB LEU 75 -3.065 -9.263 14.356 1.00 0.00 ATOM 593 CG LEU 75 -2.025 -8.724 15.338 1.00 0.00 ATOM 594 CD1 LEU 75 -1.790 -7.238 15.112 1.00 0.00 ATOM 595 CD2 LEU 75 -2.488 -8.917 16.774 1.00 0.00 ATOM 596 O LEU 75 -0.365 -9.237 12.506 1.00 0.00 ATOM 597 C LEU 75 -1.395 -9.887 12.674 1.00 0.00 ATOM 598 N GLN 76 -1.400 -11.224 12.679 1.00 0.00 ATOM 599 CA GLN 76 -0.148 -11.953 12.456 1.00 0.00 ATOM 600 CB GLN 76 -0.371 -13.460 12.595 1.00 0.00 ATOM 601 CG GLN 76 -0.640 -13.918 14.019 1.00 0.00 ATOM 602 CD GLN 76 -0.969 -15.396 14.103 1.00 0.00 ATOM 603 OE1 GLN 76 -1.088 -16.075 13.083 1.00 0.00 ATOM 604 NE2 GLN 76 -1.117 -15.900 15.323 1.00 0.00 ATOM 605 O GLN 76 1.653 -11.606 10.855 1.00 0.00 ATOM 606 C GLN 76 0.427 -11.679 11.041 1.00 0.00 ATOM 607 N ALA 77 -0.455 -11.550 10.046 1.00 0.00 ATOM 608 CA ALA 77 -0.021 -11.271 8.667 1.00 0.00 ATOM 609 CB ALA 77 -1.215 -11.281 7.723 1.00 0.00 ATOM 610 O ALA 77 1.699 -9.723 8.007 1.00 0.00 ATOM 611 C ALA 77 0.656 -9.902 8.644 1.00 0.00 ATOM 612 N ALA 78 0.037 -8.950 9.319 1.00 0.00 ATOM 613 CA ALA 78 0.567 -7.587 9.364 1.00 0.00 ATOM 614 CB ALA 78 -0.355 -6.677 10.158 1.00 0.00 ATOM 615 O ALA 78 2.891 -6.937 9.475 1.00 0.00 ATOM 616 C ALA 78 1.950 -7.529 10.016 1.00 0.00 ATOM 617 N LYS 79 2.079 -8.173 11.162 1.00 0.00 ATOM 618 CA LYS 79 3.349 -8.190 11.888 1.00 0.00 ATOM 619 CB LYS 79 3.188 -8.871 13.229 1.00 0.00 ATOM 620 CG LYS 79 4.455 -8.997 14.107 1.00 0.00 ATOM 621 CD LYS 79 4.121 -9.737 15.395 1.00 0.00 ATOM 622 CE LYS 79 5.345 -9.889 16.295 1.00 0.00 ATOM 623 NZ LYS 79 4.955 -9.993 17.740 1.00 0.00 ATOM 624 O LYS 79 5.549 -8.519 10.964 1.00 0.00 ATOM 625 C LYS 79 4.399 -8.940 11.068 1.00 0.00 ATOM 626 N LEU 80 3.996 -10.051 10.463 1.00 0.00 ATOM 627 CA LEU 80 4.943 -10.800 9.657 1.00 0.00 ATOM 628 CB LEU 80 4.288 -12.068 9.103 1.00 0.00 ATOM 629 CG LEU 80 3.979 -13.170 10.117 1.00 0.00 ATOM 630 CD1 LEU 80 3.164 -14.281 9.472 1.00 0.00 ATOM 631 CD2 LEU 80 5.263 -13.777 10.661 1.00 0.00 ATOM 632 O LEU 80 6.668 -9.942 8.200 1.00 0.00 ATOM 633 C LEU 80 5.456 -9.988 8.466 1.00 0.00 ATOM 634 N THR 81 4.546 -9.341 7.750 1.00 0.00 ATOM 635 CA THR 81 4.976 -8.565 6.591 1.00 0.00 ATOM 636 CB THR 81 3.723 -8.182 5.734 1.00 0.00 ATOM 637 CG2 THR 81 4.138 -7.344 4.522 1.00 0.00 ATOM 638 OG1 THR 81 3.074 -9.370 5.272 1.00 0.00 ATOM 639 O THR 81 6.773 -7.023 6.401 1.00 0.00 ATOM 640 C THR 81 5.789 -7.365 7.035 1.00 0.00 ATOM 641 N LEU 82 5.405 -6.709 8.108 1.00 0.00 ATOM 642 CA LEU 82 6.160 -5.528 8.569 1.00 0.00 ATOM 643 CB LEU 82 5.648 -4.981 9.853 1.00 0.00 ATOM 644 CG LEU 82 4.199 -4.487 9.711 1.00 0.00 ATOM 645 CD1 LEU 82 3.582 -4.084 11.047 1.00 0.00 ATOM 646 CD2 LEU 82 4.094 -3.343 8.700 1.00 0.00 ATOM 647 O LEU 82 8.485 -5.038 8.500 1.00 0.00 ATOM 648 C LEU 82 7.629 -5.844 8.816 1.00 0.00 ATOM 649 N ALA 83 7.923 -7.025 9.351 1.00 0.00 ATOM 650 CA ALA 83 9.300 -7.419 9.634 1.00 0.00 ATOM 651 CB ALA 83 9.328 -8.726 10.413 1.00 0.00 ATOM 652 O ALA 83 11.393 -7.496 8.463 1.00 0.00 ATOM 653 C ALA 83 10.165 -7.582 8.389 1.00 0.00 ATOM 654 N VAL 84 9.551 -7.826 7.230 1.00 0.00 ATOM 655 CA VAL 84 10.269 -7.975 5.966 1.00 0.00 ATOM 656 CB VAL 84 9.512 -8.886 4.983 1.00 0.00 ATOM 657 CG1 VAL 84 9.306 -10.266 5.587 1.00 0.00 ATOM 658 CG2 VAL 84 8.149 -8.298 4.653 1.00 0.00 ATOM 659 O VAL 84 11.143 -6.598 4.236 1.00 0.00 ATOM 660 C VAL 84 10.484 -6.654 5.272 1.00 0.00 ATOM 661 N ALA 85 9.951 -5.547 5.755 1.00 0.00 ATOM 662 CA ALA 85 10.142 -4.223 5.193 1.00 0.00 ATOM 663 CB ALA 85 8.898 -3.374 5.403 1.00 0.00 ATOM 664 O ALA 85 11.683 -3.935 7.016 1.00 0.00 ATOM 665 C ALA 85 11.272 -3.530 5.930 1.00 0.00 ATOM 666 N PRO 86 11.830 -2.501 5.300 1.00 0.00 ATOM 667 CA PRO 86 12.928 -1.730 5.878 1.00 0.00 ATOM 668 CB PRO 86 13.234 -0.680 4.825 1.00 0.00 ATOM 669 CG PRO 86 12.694 -1.269 3.547 1.00 0.00 ATOM 670 CD PRO 86 11.414 -1.949 3.985 1.00 0.00 ATOM 671 O PRO 86 11.375 -1.025 7.512 1.00 0.00 ATOM 672 C PRO 86 12.552 -1.275 7.269 1.00 0.00 ATOM 673 N VAL 87 13.526 -1.148 8.262 1.00 0.00 ATOM 674 CA VAL 87 13.183 -0.786 9.639 1.00 0.00 ATOM 675 CB VAL 87 14.450 -0.674 10.505 1.00 0.00 ATOM 676 CG1 VAL 87 14.122 -0.036 11.847 1.00 0.00 ATOM 677 CG2 VAL 87 15.046 -2.049 10.759 1.00 0.00 ATOM 678 O VAL 87 11.694 0.813 10.624 1.00 0.00 ATOM 679 C VAL 87 12.501 0.583 9.726 1.00 0.00 ATOM 680 N LYS 88 12.811 1.455 8.789 1.00 0.00 ATOM 681 CA LYS 88 12.169 2.773 8.795 1.00 0.00 ATOM 682 CB LYS 88 12.755 3.654 7.689 1.00 0.00 ATOM 683 CG LYS 88 14.214 4.025 7.899 1.00 0.00 ATOM 684 CD LYS 88 14.739 4.872 6.752 1.00 0.00 ATOM 685 CE LYS 88 16.188 5.273 6.979 1.00 0.00 ATOM 686 NZ LYS 88 16.720 6.091 5.855 1.00 0.00 ATOM 687 O LYS 88 9.919 3.569 9.165 1.00 0.00 ATOM 688 C LYS 88 10.645 2.669 8.662 1.00 0.00 ATOM 689 N ALA 89 10.157 1.658 7.965 1.00 0.00 ATOM 690 CA ALA 89 8.690 1.526 7.847 1.00 0.00 ATOM 691 CB ALA 89 8.303 0.365 6.944 1.00 0.00 ATOM 692 O ALA 89 6.982 1.958 9.496 1.00 0.00 ATOM 693 C ALA 89 8.044 1.379 9.233 1.00 0.00 ATOM 694 N ARG 90 8.668 0.575 10.113 1.00 0.00 ATOM 695 CA ARG 90 8.196 0.431 11.496 1.00 0.00 ATOM 696 CB ARG 90 9.547 -0.157 12.311 1.00 0.00 ATOM 697 CG ARG 90 10.429 -1.247 11.643 1.00 0.00 ATOM 698 CD ARG 90 9.738 -2.622 11.658 1.00 0.00 ATOM 699 NE ARG 90 10.585 -3.656 11.045 1.00 0.00 ATOM 700 CZ ARG 90 10.744 -3.829 9.734 1.00 0.00 ATOM 701 NH1 ARG 90 11.548 -4.798 9.262 1.00 0.00 ATOM 702 NH2 ARG 90 10.064 -3.076 8.889 1.00 0.00 ATOM 703 O ARG 90 7.233 2.076 12.961 1.00 0.00 ATOM 704 C ARG 90 8.163 1.784 12.211 1.00 0.00 ATOM 705 N GLU 91 9.191 2.582 11.985 1.00 0.00 ATOM 706 CA GLU 91 9.272 3.902 12.609 1.00 0.00 ATOM 707 CB GLU 91 10.427 4.706 12.215 1.00 0.00 ATOM 708 CG GLU 91 11.728 4.103 12.786 1.00 0.00 ATOM 709 CD GLU 91 12.978 4.964 12.538 1.00 0.00 ATOM 710 OE1 GLU 91 12.931 5.922 11.760 1.00 0.00 ATOM 711 OE2 GLU 91 14.035 4.631 13.109 1.00 0.00 ATOM 712 O GLU 91 7.417 5.390 12.983 1.00 0.00 ATOM 713 C GLU 91 8.097 4.774 12.159 1.00 0.00 ATOM 714 N GLN 92 7.837 4.795 10.866 1.00 0.00 ATOM 715 CA GLN 92 6.726 5.567 10.314 1.00 0.00 ATOM 716 CB GLN 92 6.739 5.559 8.783 1.00 0.00 ATOM 717 CG GLN 92 7.901 6.320 8.169 1.00 0.00 ATOM 718 CD GLN 92 7.945 6.196 6.658 1.00 0.00 ATOM 719 OE1 GLN 92 7.162 5.456 6.064 1.00 0.00 ATOM 720 NE2 GLN 92 8.864 6.924 6.032 1.00 0.00 ATOM 721 O GLN 92 4.498 5.759 11.185 1.00 0.00 ATOM 722 C GLN 92 5.406 5.005 10.854 1.00 0.00 ATOM 723 N LEU 93 5.314 3.683 10.893 1.00 0.00 ATOM 724 CA LEU 93 4.118 3.034 11.430 1.00 0.00 ATOM 725 CB LEU 93 4.216 1.512 11.305 1.00 0.00 ATOM 726 CG LEU 93 4.202 0.950 9.883 1.00 0.00 ATOM 727 CD1 LEU 93 4.477 -0.545 9.914 1.00 0.00 ATOM 728 CD2 LEU 93 2.853 1.231 9.238 1.00 0.00 ATOM 729 O LEU 93 2.740 3.625 13.305 1.00 0.00 ATOM 730 C LEU 93 3.881 3.413 12.888 1.00 0.00 ATOM 731 N GLU 94 4.965 3.498 13.654 1.00 0.00 ATOM 732 CA GLU 94 4.874 3.857 15.065 1.00 0.00 ATOM 733 CB GLU 94 6.247 3.841 15.725 1.00 0.00 ATOM 734 CG GLU 94 6.927 2.476 15.645 1.00 0.00 ATOM 735 CD GLU 94 8.319 2.439 16.256 1.00 0.00 ATOM 736 OE1 GLU 94 9.128 3.356 15.991 1.00 0.00 ATOM 737 OE2 GLU 94 8.611 1.473 16.993 1.00 0.00 ATOM 738 O GLU 94 3.460 5.496 16.089 1.00 0.00 ATOM 739 C GLU 94 4.289 5.256 15.216 1.00 0.00 ATOM 740 N ALA 95 4.713 6.180 14.369 1.00 0.00 ATOM 741 CA ALA 95 4.226 7.550 14.403 1.00 0.00 ATOM 742 CB ALA 95 4.875 8.369 13.298 1.00 0.00 ATOM 743 O ALA 95 2.019 8.364 14.867 1.00 0.00 ATOM 744 C ALA 95 2.730 7.629 14.165 1.00 0.00 ATOM 745 N ILE 96 2.246 6.878 13.176 1.00 0.00 ATOM 746 CA ILE 96 0.827 6.954 12.808 1.00 0.00 ATOM 747 CB ILE 96 0.522 6.198 11.514 1.00 0.00 ATOM 748 CG1 ILE 96 1.249 6.887 10.350 1.00 0.00 ATOM 749 CG2 ILE 96 -0.998 6.183 11.243 1.00 0.00 ATOM 750 CD1 ILE 96 1.238 6.120 9.048 1.00 0.00 ATOM 751 O ILE 96 -1.057 7.020 14.291 1.00 0.00 ATOM 752 C ILE 96 -0.001 6.461 13.988 1.00 0.00 ATOM 753 N VAL 97 0.478 5.412 14.649 1.00 0.00 ATOM 754 CA VAL 97 -0.229 4.878 15.805 1.00 0.00 ATOM 755 CB VAL 97 0.498 3.654 16.396 1.00 0.00 ATOM 756 CG1 VAL 97 -0.143 3.237 17.709 1.00 0.00 ATOM 757 CG2 VAL 97 0.430 2.479 15.432 1.00 0.00 ATOM 758 O VAL 97 -1.271 6.113 17.579 1.00 0.00 ATOM 759 C VAL 97 -0.259 5.947 16.895 1.00 0.00 ATOM 760 N SER 98 0.843 6.684 17.022 1.00 0.00 ATOM 761 CA SER 98 0.895 7.740 18.028 1.00 0.00 ATOM 762 CB SER 98 2.275 8.400 17.986 1.00 0.00 ATOM 763 OG SER 98 3.284 7.499 18.409 1.00 0.00 ATOM 764 O SER 98 -0.778 9.351 18.637 1.00 0.00 ATOM 765 C SER 98 -0.161 8.799 17.726 1.00 0.00 ATOM 766 N SER 99 -0.371 9.067 16.441 1.00 0.00 ATOM 767 CA SER 99 -1.352 10.058 16.014 1.00 0.00 ATOM 768 CB SER 99 -1.144 10.418 14.542 1.00 0.00 ATOM 769 OG SER 99 -1.427 9.313 13.701 1.00 0.00 ATOM 770 O SER 99 -3.695 10.159 15.743 1.00 0.00 ATOM 771 C SER 99 -2.743 9.496 16.163 1.00 0.00 ATOM 772 N LYS 100 -2.886 8.143 16.658 1.00 0.00 ATOM 773 CA LYS 100 -4.160 7.478 16.892 1.00 0.00 ATOM 774 CB LYS 100 -5.062 8.428 17.702 1.00 0.00 ATOM 775 CG LYS 100 -4.515 8.796 19.082 1.00 0.00 ATOM 776 CD LYS 100 -4.606 7.630 20.052 1.00 0.00 ATOM 777 CE LYS 100 -3.934 7.968 21.376 1.00 0.00 ATOM 778 NZ LYS 100 -4.417 9.266 21.923 1.00 0.00 ATOM 779 O LYS 100 -5.932 6.566 15.576 1.00 0.00 ATOM 780 C LYS 100 -4.722 6.776 15.672 1.00 0.00 ATOM 781 N TRP 101 -3.854 6.413 14.732 1.00 0.00 ATOM 782 CA TRP 101 -4.298 5.731 13.519 1.00 0.00 ATOM 783 CB TRP 101 -4.122 6.600 12.294 1.00 0.00 ATOM 784 CG TRP 101 -4.579 5.964 11.055 1.00 0.00 ATOM 785 CD1 TRP 101 -5.838 5.857 10.630 1.00 0.00 ATOM 786 CD2 TRP 101 -3.767 5.359 10.049 1.00 0.00 ATOM 787 CE2 TRP 101 -4.631 4.896 9.038 1.00 0.00 ATOM 788 CE3 TRP 101 -2.380 5.173 9.883 1.00 0.00 ATOM 789 NE1 TRP 101 -5.900 5.192 9.432 1.00 0.00 ATOM 790 CZ2 TRP 101 -4.172 4.280 7.879 1.00 0.00 ATOM 791 CZ3 TRP 101 -1.931 4.558 8.755 1.00 0.00 ATOM 792 CH2 TRP 101 -2.814 4.115 7.754 1.00 0.00 ATOM 793 O TRP 101 -2.269 4.441 13.609 1.00 0.00 ATOM 794 C TRP 101 -3.480 4.458 13.376 1.00 0.00 ATOM 795 N PHE 102 -4.153 3.369 12.815 1.00 0.00 ATOM 796 CA PHE 102 -3.469 2.110 12.548 1.00 0.00 ATOM 797 CB PHE 102 -4.174 0.980 13.320 1.00 0.00 ATOM 798 CG PHE 102 -4.379 1.269 14.779 1.00 0.00 ATOM 799 CD1 PHE 102 -5.493 1.979 15.211 1.00 0.00 ATOM 800 CD2 PHE 102 -3.441 0.857 15.720 1.00 0.00 ATOM 801 CE1 PHE 102 -5.671 2.278 16.564 1.00 0.00 ATOM 802 CE2 PHE 102 -3.612 1.154 17.077 1.00 0.00 ATOM 803 CZ PHE 102 -4.729 1.866 17.496 1.00 0.00 ATOM 804 O PHE 102 -4.196 1.590 10.316 1.00 0.00 ATOM 805 C PHE 102 -3.246 1.835 11.062 1.00 0.00 ATOM 806 N PRO 103 -2.013 1.825 10.649 1.00 0.00 ATOM 807 CA PRO 103 -1.676 1.592 9.240 1.00 0.00 ATOM 808 CB PRO 103 -0.172 1.859 9.198 1.00 0.00 ATOM 809 CG PRO 103 0.280 1.454 10.553 1.00 0.00 ATOM 810 CD PRO 103 -0.792 2.049 11.444 1.00 0.00 ATOM 811 O PRO 103 -2.263 0.230 7.374 1.00 0.00 ATOM 812 C PRO 103 -2.060 0.289 8.608 1.00 0.00 ATOM 813 N GLN 104 -2.123 -0.828 9.338 1.00 0.00 ATOM 814 CA GLN 104 -2.363 -2.156 8.833 1.00 0.00 ATOM 815 CB GLN 104 -1.287 -3.119 9.336 1.00 0.00 ATOM 816 CG GLN 104 0.130 -2.727 8.947 1.00 0.00 ATOM 817 CD GLN 104 0.351 -2.759 7.448 1.00 0.00 ATOM 818 OE1 GLN 104 0.012 -3.739 6.782 1.00 0.00 ATOM 819 NE2 GLN 104 0.922 -1.687 6.913 1.00 0.00 ATOM 820 O GLN 104 -4.121 -2.385 10.412 1.00 0.00 ATOM 821 C GLN 104 -3.707 -2.647 9.269 1.00 0.00 ATOM 822 N ALA 105 -4.287 -3.491 8.426 1.00 0.00 ATOM 823 CA ALA 105 -5.605 -4.048 8.722 1.00 0.00 ATOM 824 CB ALA 105 -6.074 -4.938 7.581 1.00 0.00 ATOM 825 O ALA 105 -6.470 -4.827 10.819 1.00 0.00 ATOM 826 C ALA 105 -5.558 -4.893 9.996 1.00 0.00 ATOM 827 N GLY 106 -4.386 -5.616 10.221 1.00 0.00 ATOM 828 CA GLY 106 -4.214 -6.438 11.407 1.00 0.00 ATOM 829 O GLY 106 -4.849 -5.972 13.664 1.00 0.00 ATOM 830 C GLY 106 -4.181 -5.627 12.690 1.00 0.00 ATOM 831 N ASP 107 -3.430 -4.532 12.677 1.00 0.00 ATOM 832 CA ASP 107 -3.435 -3.572 13.775 1.00 0.00 ATOM 833 CB ASP 107 -2.520 -2.387 13.458 1.00 0.00 ATOM 834 CG ASP 107 -1.050 -2.753 13.521 1.00 0.00 ATOM 835 OD1 ASP 107 -0.731 -3.846 14.036 1.00 0.00 ATOM 836 OD2 ASP 107 -0.218 -1.947 13.054 1.00 0.00 ATOM 837 O ASP 107 -5.250 -2.968 15.220 1.00 0.00 ATOM 838 C ASP 107 -4.816 -3.008 14.068 1.00 0.00 ATOM 839 N ALA 108 -5.510 -2.589 13.039 1.00 0.00 ATOM 840 CA ALA 108 -6.848 -2.021 13.137 1.00 0.00 ATOM 841 CB ALA 108 -7.312 -1.517 11.778 1.00 0.00 ATOM 842 O ALA 108 -8.670 -2.839 14.459 1.00 0.00 ATOM 843 C ALA 108 -7.815 -3.102 13.614 1.00 0.00 ATOM 844 N GLY 109 -7.670 -4.277 13.067 1.00 0.00 ATOM 845 CA GLY 109 -8.539 -5.368 13.471 1.00 0.00 ATOM 846 O GLY 109 -9.192 -5.847 15.722 1.00 0.00 ATOM 847 C GLY 109 -8.285 -5.666 14.943 1.00 0.00 ATOM 848 N MET 110 -7.014 -5.723 15.311 1.00 0.00 ATOM 849 CA MET 110 -6.657 -5.958 16.690 1.00 0.00 ATOM 850 CB MET 110 -5.137 -5.921 16.863 1.00 0.00 ATOM 851 CG MET 110 -4.670 -6.134 18.294 1.00 0.00 ATOM 852 SD MET 110 -2.878 -6.016 18.465 1.00 0.00 ATOM 853 CE MET 110 -2.634 -4.254 18.262 1.00 0.00 ATOM 854 O MET 110 -7.814 -5.252 18.672 1.00 0.00 ATOM 855 C MET 110 -7.265 -4.908 17.622 1.00 0.00 ATOM 856 N CYS 111 -7.138 -3.642 17.271 1.00 0.00 ATOM 857 CA CYS 111 -7.665 -2.552 18.135 1.00 0.00 ATOM 858 CB CYS 111 -7.026 -1.215 17.641 1.00 0.00 ATOM 859 SG CYS 111 -5.241 -1.071 17.925 1.00 0.00 ATOM 860 O CYS 111 -9.773 -2.093 19.184 1.00 0.00 ATOM 861 C CYS 111 -9.197 -2.493 18.179 1.00 0.00 ATOM 862 N LEU 112 -9.861 -2.813 17.057 1.00 0.00 ATOM 863 CA LEU 112 -11.323 -2.897 17.055 1.00 0.00 ATOM 864 CB LEU 112 -11.872 -3.174 15.683 1.00 0.00 ATOM 865 CG LEU 112 -11.471 -2.130 14.616 1.00 0.00 ATOM 866 CD1 LEU 112 -11.959 -2.564 13.253 1.00 0.00 ATOM 867 CD2 LEU 112 -12.001 -0.767 14.967 1.00 0.00 ATOM 868 O LEU 112 -12.687 -3.760 18.835 1.00 0.00 ATOM 869 C LEU 112 -11.772 -3.974 18.040 1.00 0.00 ATOM 870 N ASP 113 -11.112 -5.111 17.985 1.00 0.00 ATOM 871 CA ASP 113 -11.446 -6.210 18.885 1.00 0.00 ATOM 872 CB ASP 113 -10.619 -7.460 18.578 1.00 0.00 ATOM 873 CG ASP 113 -10.999 -8.640 19.449 1.00 0.00 ATOM 874 OD1 ASP 113 -12.162 -9.087 19.367 1.00 0.00 ATOM 875 OD2 ASP 113 -10.134 -9.118 20.214 1.00 0.00 ATOM 876 O ASP 113 -11.918 -6.063 21.234 1.00 0.00 ATOM 877 C ASP 113 -11.148 -5.775 20.322 1.00 0.00 ATOM 878 N LEU 114 -10.036 -5.073 20.530 1.00 0.00 ATOM 879 CA LEU 114 -9.701 -4.605 21.870 1.00 0.00 ATOM 880 CB LEU 114 -8.304 -3.981 21.886 1.00 0.00 ATOM 881 CG LEU 114 -7.131 -4.942 21.679 1.00 0.00 ATOM 882 CD1 LEU 114 -5.825 -4.173 21.539 1.00 0.00 ATOM 883 CD2 LEU 114 -6.999 -5.890 22.861 1.00 0.00 ATOM 884 O LEU 114 -11.101 -3.609 23.544 1.00 0.00 ATOM 885 C LEU 114 -10.708 -3.569 22.378 1.00 0.00 ATOM 886 N LEU 115 -11.138 -2.655 21.514 1.00 0.00 ATOM 887 CA LEU 115 -12.097 -1.621 21.902 1.00 0.00 ATOM 888 CB LEU 115 -12.462 -0.726 20.716 1.00 0.00 ATOM 889 CG LEU 115 -13.452 0.405 21.000 1.00 0.00 ATOM 890 CD1 LEU 115 -12.886 1.371 22.028 1.00 0.00 ATOM 891 CD2 LEU 115 -13.754 1.185 19.730 1.00 0.00 ATOM 892 O LEU 115 -13.840 -1.905 23.547 1.00 0.00 ATOM 893 C LEU 115 -13.384 -2.246 22.451 1.00 0.00 ATOM 894 N ASP 116 -13.935 -3.187 21.690 1.00 0.00 ATOM 895 CA ASP 116 -15.167 -3.858 22.086 1.00 0.00 ATOM 896 CB ASP 116 -15.668 -4.767 20.962 1.00 0.00 ATOM 897 CG ASP 116 -16.255 -3.989 19.800 1.00 0.00 ATOM 898 OD1 ASP 116 -16.498 -2.775 19.962 1.00 0.00 ATOM 899 OD2 ASP 116 -16.469 -4.595 18.728 1.00 0.00 ATOM 900 O ASP 116 -15.970 -4.888 24.093 1.00 0.00 ATOM 901 C ASP 116 -15.008 -4.703 23.345 1.00 0.00 ATOM 902 N ASP 117 -13.802 -5.225 23.570 1.00 0.00 ATOM 903 CA ASP 117 -13.547 -6.049 24.749 1.00 0.00 ATOM 904 CB ASP 117 -12.438 -7.057 24.441 1.00 0.00 ATOM 905 CG ASP 117 -12.884 -8.138 23.476 1.00 0.00 ATOM 906 OD1 ASP 117 -14.108 -8.300 23.290 1.00 0.00 ATOM 907 OD2 ASP 117 -12.009 -8.822 22.904 1.00 0.00 ATOM 908 O ASP 117 -12.929 -5.679 27.034 1.00 0.00 ATOM 909 C ASP 117 -13.119 -5.186 25.922 1.00 0.00 ATOM 910 N GLY 118 -12.962 -3.891 25.672 1.00 0.00 ATOM 911 CA GLY 118 -12.538 -2.994 26.731 1.00 0.00 ATOM 912 O GLY 118 -10.573 -2.546 28.017 1.00 0.00 ATOM 913 C GLY 118 -11.034 -3.047 27.002 1.00 0.00 ATOM 914 N THR 119 -10.264 -3.638 26.106 1.00 0.00 ATOM 915 CA THR 119 -8.828 -3.737 26.307 1.00 0.00 ATOM 916 CB THR 119 -8.525 -5.250 26.254 1.00 0.00 ATOM 917 CG2 THR 119 -7.070 -5.563 26.661 1.00 0.00 ATOM 918 OG1 THR 119 -9.449 -5.884 27.136 1.00 0.00 ATOM 919 O THR 119 -6.891 -2.391 25.736 1.00 0.00 ATOM 920 C THR 119 -8.116 -2.538 25.662 1.00 0.00 ATOM 921 N PHE 120 -8.884 -1.728 24.947 1.00 0.00 ATOM 922 CA PHE 120 -8.305 -0.560 24.282 1.00 0.00 ATOM 923 CB PHE 120 -8.292 -0.760 22.766 1.00 0.00 ATOM 924 CG PHE 120 -7.650 0.368 22.011 1.00 0.00 ATOM 925 CD1 PHE 120 -6.273 0.510 21.992 1.00 0.00 ATOM 926 CD2 PHE 120 -8.420 1.287 21.319 1.00 0.00 ATOM 927 CE1 PHE 120 -5.680 1.549 21.297 1.00 0.00 ATOM 928 CE2 PHE 120 -7.828 2.325 20.625 1.00 0.00 ATOM 929 CZ PHE 120 -6.465 2.458 20.611 1.00 0.00 ATOM 930 O PHE 120 -10.349 0.672 24.382 1.00 0.00 ATOM 931 C PHE 120 -9.149 0.648 24.629 1.00 0.00 ATOM 932 N LYS 121 -8.417 1.671 25.227 1.00 0.00 ATOM 933 CA LYS 121 -9.258 2.822 25.578 1.00 0.00 ATOM 934 CB LYS 121 -8.441 3.845 26.366 1.00 0.00 ATOM 935 CG LYS 121 -8.196 3.399 27.775 1.00 0.00 ATOM 936 CD LYS 121 -7.522 4.511 28.588 1.00 0.00 ATOM 937 CE LYS 121 -7.379 4.070 30.050 1.00 0.00 ATOM 938 NZ LYS 121 -6.017 4.422 30.578 1.00 0.00 ATOM 939 O LYS 121 -9.221 3.469 23.276 1.00 0.00 ATOM 940 C LYS 121 -9.857 3.451 24.327 1.00 0.00 ATOM 941 N PRO 122 -11.083 3.955 24.444 1.00 0.00 ATOM 942 CA PRO 122 -11.784 4.604 23.328 1.00 0.00 ATOM 943 CB PRO 122 -12.905 5.367 24.084 1.00 0.00 ATOM 944 CG PRO 122 -13.123 4.530 25.314 1.00 0.00 ATOM 945 CD PRO 122 -11.738 4.155 25.726 1.00 0.00 ATOM 946 O PRO 122 -11.154 5.641 21.282 1.00 0.00 ATOM 947 C PRO 122 -10.904 5.537 22.472 1.00 0.00 ATOM 948 N LYS 123 -9.891 6.186 23.003 1.00 0.00 ATOM 949 CA LYS 123 -8.922 6.890 22.160 1.00 0.00 ATOM 950 CB LYS 123 -7.903 7.640 23.026 1.00 0.00 ATOM 951 CG LYS 123 -7.215 8.803 22.317 1.00 0.00 ATOM 952 CD LYS 123 -8.182 9.974 22.141 1.00 0.00 ATOM 953 CE LYS 123 -7.473 11.231 21.638 1.00 0.00 ATOM 954 NZ LYS 123 -8.390 12.412 21.562 1.00 0.00 ATOM 955 O LYS 123 -8.162 6.108 20.024 1.00 0.00 ATOM 956 C LYS 123 -8.176 5.932 21.242 1.00 0.00 TER END