PFRMAT TS TARGET T0335 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 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 Comment by Grant Thiltgen about the 5 models we are submitting: METHOD METHOD METHOD Model 1: T0335.try21-opt2 is our best scoring model by the METHOD unconstrained costfcn. I made this model by using the secondary METHOD structure predictions from the t2k alignments, because I felt they METHOD were more specific to this protein with the amount of conserved METHOD residues. I used the t2k alignments for the top scoring models to METHOD make the model as well. I used the str2, notor, and separation METHOD alphabets in order to determine the hydrogen bonding patterns for the METHOD sheet and the motif for the final helix. I then attempted to make the METHOD model less foamy in order to pack the helices tighter. I also made it METHOD from a subdomain model removing the HIS tag, then adding in a HIS tag METHOD from another model (try9-opt2, because this model didn't include the METHOD HIS tag in the final helix). METHOD METHOD Model 2: T0335.try6-opt2 also scores well in the unconstrained METHOD costfcn. I attempted to make a model from the t06 information. I METHOD attempted to add a small two-strand sheet at the bottom of the helix. METHOD This two-strand sheet didn't really form well, because the predictions METHOD for the model didn't allow enough space, but there was enough room for METHOD a beta bridge and a hairpin that was predicted from the notor METHOD alphabet. METHOD METHOD Model 3: T0335.try25-opt2 is a polished model of the best model from METHOD the Robetta server. I liked the way that the strands were formed in METHOD the predicted region of the protein. However, the hairpin didn't METHOD match our predictions that well. It also doesn't score as well on our METHOD costfcn as some of the other models with the hairpin in place. METHOD METHOD Model 4: T0335.try33-opt2 is an attempt to make a four helix bundle METHOD out of this protein. One of our models (try8-opt2) had a three-helix METHOD protein with a kinked helix, so I used ProteinShop to remove the helix METHOD from residues E36-G40. I then rotated the helices in order to pack METHOD residues I10 and L13 against L67. I sent it to undertaker, then when METHOD that was finished, I rotated the third helix in the bundle in order to METHOD bury some predicted buried residues, and I moved the helices closer METHOD together. I added some distance constraints to keep the helices as a METHOD bundle. The beta bridge was added in an attempt to pack the helices METHOD tighter together. The original try8-opt2 model that this came from METHOD was a polish of the best scoring SAM model. METHOD METHOD Model 5: T0335.try29-opt2.gromacs0.repack-nonPC is the model we METHOD created that scores the best with the rosetta scoring after repacking METHOD the sidechains by rosetta. It was also originally created from METHOD try8-opt2 which was a polish of the best scoring SAM model, but I left METHOD the three helices together the way SAM created them. I optimized the METHOD try8-opt2 model with gromacs and repacked the sidechains with rosetta, METHOD then reoptimized with undertaker, then once again with gromacs and METHOD sidechain repacking by rosetta. METHOD REMARK 6 REMARK 6 T0335 model 4 Wed Jul 26 19:23:23 2006 MODEL 4 PARENT 2au5_A 1f47_B 1y96_B 1v3w_A 1b5s_A REMARK 7 REMARK 7 ALLPARENTS 2au5_A 1f47_B 1y96_B 1v3w_A 1b5s_A 1t3w_A 1f46_A REMARK 7 ALLPARENTS 1y1x_A 1lj9_A 1a7w 1aj4 1ap4 1avs_A 1eij_A REMARK 7 ALLPARENTS 1g4y_R 1gzq_A 1jix_A 1m1e_B 1ock_A 1p9q_C 1pmz_A REMARK 7 ALLPARENTS 1pvy_A 1snn_A 1t95_A 1tn4 1wdt_A 1wmh_A 1xeq_A REMARK 7 ALLPARENTS 1xfx_O 1xhd_A 1zac 2aex_A 2amy_A 2auc_A 2beq_D REMARK 7 ALLPARENTS 2c5k_T 2fue_A ATOM 1 N MET 1 2.483 -4.289 -4.031 1.00 0.00 ATOM 2 CA MET 1 1.408 -3.604 -4.690 1.00 0.00 ATOM 3 CB MET 1 0.102 -4.122 -4.677 1.00 0.00 ATOM 4 CG MET 1 0.025 -5.534 -5.222 1.00 0.00 ATOM 5 SD MET 1 -1.633 -6.195 -4.928 1.00 0.00 ATOM 6 CE MET 1 -1.801 -5.845 -3.183 1.00 0.00 ATOM 7 O MET 1 1.715 -1.292 -4.065 1.00 0.00 ATOM 8 C MET 1 1.750 -2.150 -4.952 1.00 0.00 ATOM 9 N ILE 2 2.303 -1.892 -6.133 1.00 0.00 ATOM 10 CA ILE 2 2.865 -0.584 -6.427 1.00 0.00 ATOM 11 CB ILE 2 3.524 -0.570 -7.825 1.00 0.00 ATOM 12 CG1 ILE 2 4.763 -1.472 -7.833 1.00 0.00 ATOM 13 CG2 ILE 2 3.893 0.858 -8.206 1.00 0.00 ATOM 14 CD1 ILE 2 5.928 -0.943 -7.013 1.00 0.00 ATOM 15 O ILE 2 2.014 1.557 -5.822 1.00 0.00 ATOM 16 C ILE 2 1.789 0.488 -6.387 1.00 0.00 ATOM 17 N SER 3 0.630 0.214 -6.981 1.00 0.00 ATOM 18 CA SER 3 -0.432 1.212 -6.970 1.00 0.00 ATOM 19 CB SER 3 -1.596 0.824 -7.816 1.00 0.00 ATOM 20 OG SER 3 -1.198 0.717 -9.171 1.00 0.00 ATOM 21 O SER 3 -1.036 2.673 -5.157 1.00 0.00 ATOM 22 C SER 3 -0.860 1.513 -5.535 1.00 0.00 ATOM 23 N ASN 4 -1.034 0.462 -4.736 1.00 0.00 ATOM 24 CA ASN 4 -1.430 0.620 -3.341 1.00 0.00 ATOM 25 CB ASN 4 -1.459 -0.670 -2.577 1.00 0.00 ATOM 26 CG ASN 4 -2.832 -1.293 -2.644 1.00 0.00 ATOM 27 ND2 ASN 4 -2.886 -2.573 -3.012 1.00 0.00 ATOM 28 OD1 ASN 4 -3.829 -0.637 -2.370 1.00 0.00 ATOM 29 O ASN 4 -0.692 2.353 -1.832 1.00 0.00 ATOM 30 C ASN 4 -0.379 1.409 -2.558 1.00 0.00 ATOM 31 N ALA 5 0.891 1.097 -2.757 1.00 0.00 ATOM 32 CA ALA 5 1.950 1.803 -2.054 1.00 0.00 ATOM 33 CB ALA 5 3.292 1.083 -2.290 1.00 0.00 ATOM 34 O ALA 5 2.312 4.116 -1.672 1.00 0.00 ATOM 35 C ALA 5 2.082 3.242 -2.498 1.00 0.00 ATOM 36 N LYS 6 1.891 3.466 -3.808 1.00 0.00 ATOM 37 CA LYS 6 1.948 4.826 -4.359 1.00 0.00 ATOM 38 CB LYS 6 1.939 4.700 -5.921 1.00 0.00 ATOM 39 CG LYS 6 2.374 5.984 -6.568 1.00 0.00 ATOM 40 CD LYS 6 2.202 5.964 -8.109 1.00 0.00 ATOM 41 CE LYS 6 3.104 4.930 -8.697 1.00 0.00 ATOM 42 NZ LYS 6 2.886 4.856 -10.181 1.00 0.00 ATOM 43 O LYS 6 1.020 6.860 -3.498 1.00 0.00 ATOM 44 C LYS 6 0.814 5.696 -3.797 1.00 0.00 ATOM 45 N ILE 7 -0.396 5.144 -3.684 1.00 0.00 ATOM 46 CA ILE 7 -1.495 5.939 -3.140 1.00 0.00 ATOM 47 CB ILE 7 -2.813 5.153 -3.147 1.00 0.00 ATOM 48 CG1 ILE 7 -3.220 4.803 -4.573 1.00 0.00 ATOM 49 CG2 ILE 7 -3.905 5.919 -2.424 1.00 0.00 ATOM 50 CD1 ILE 7 -3.440 5.935 -5.546 1.00 0.00 ATOM 51 O ILE 7 -1.351 7.543 -1.338 1.00 0.00 ATOM 52 C ILE 7 -1.188 6.371 -1.700 1.00 0.00 ATOM 53 N ALA 8 -0.680 5.444 -0.910 1.00 0.00 ATOM 54 CA ALA 8 -0.340 5.769 0.479 1.00 0.00 ATOM 55 CB ALA 8 0.011 4.478 1.273 1.00 0.00 ATOM 56 O ALA 8 0.810 7.672 1.417 1.00 0.00 ATOM 57 C ALA 8 0.796 6.771 0.580 1.00 0.00 ATOM 58 N ARG 9 1.798 6.665 -0.302 1.00 0.00 ATOM 59 CA ARG 9 2.920 7.585 -0.277 1.00 0.00 ATOM 60 CB ARG 9 4.030 7.152 -1.224 1.00 0.00 ATOM 61 CG ARG 9 4.588 5.748 -0.977 1.00 0.00 ATOM 62 CD ARG 9 5.344 5.631 0.341 1.00 0.00 ATOM 63 NE ARG 9 4.457 5.549 1.504 1.00 0.00 ATOM 64 CZ ARG 9 3.752 4.469 1.843 1.00 0.00 ATOM 65 NH1 ARG 9 3.821 3.362 1.111 1.00 0.00 ATOM 66 NH2 ARG 9 2.968 4.500 2.915 1.00 0.00 ATOM 67 O ARG 9 2.922 9.972 -0.044 1.00 0.00 ATOM 68 C ARG 9 2.473 8.996 -0.635 1.00 0.00 ATOM 69 N ILE 10 1.545 9.093 -1.593 1.00 0.00 ATOM 70 CA ILE 10 1.051 10.398 -2.016 1.00 0.00 ATOM 71 CB ILE 10 0.201 10.206 -3.319 1.00 0.00 ATOM 72 CG1 ILE 10 1.110 9.749 -4.473 1.00 0.00 ATOM 73 CG2 ILE 10 -0.579 11.486 -3.645 1.00 0.00 ATOM 74 CD1 ILE 10 2.084 10.827 -4.962 1.00 0.00 ATOM 75 O ILE 10 0.387 12.265 -0.681 1.00 0.00 ATOM 76 C ILE 10 0.266 11.063 -0.888 1.00 0.00 ATOM 77 N ASN 11 -0.523 10.296 -0.135 1.00 0.00 ATOM 78 CA ASN 11 -1.273 10.911 0.964 1.00 0.00 ATOM 79 CB ASN 11 -2.254 9.912 1.570 1.00 0.00 ATOM 80 CG ASN 11 -3.378 9.573 0.645 1.00 0.00 ATOM 81 ND2 ASN 11 -3.841 8.324 0.713 1.00 0.00 ATOM 82 OD1 ASN 11 -3.853 10.422 -0.117 1.00 0.00 ATOM 83 O ASN 11 -0.515 12.511 2.610 1.00 0.00 ATOM 84 C ASN 11 -0.316 11.427 2.065 1.00 0.00 ATOM 85 N GLU 12 0.718 10.658 2.346 1.00 0.00 ATOM 86 CA GLU 12 1.685 11.078 3.355 1.00 0.00 ATOM 87 CB GLU 12 2.678 10.040 3.688 1.00 0.00 ATOM 88 CG GLU 12 2.024 8.928 4.503 1.00 0.00 ATOM 89 CD GLU 12 2.795 7.611 4.541 1.00 0.00 ATOM 90 OE1 GLU 12 3.950 7.519 4.030 1.00 0.00 ATOM 91 OE2 GLU 12 2.200 6.645 5.081 1.00 0.00 ATOM 92 O GLU 12 2.525 13.294 3.653 1.00 0.00 ATOM 93 C GLU 12 2.396 12.345 2.891 1.00 0.00 ATOM 94 N LEU 13 2.751 12.416 1.607 1.00 0.00 ATOM 95 CA LEU 13 3.433 13.587 1.089 1.00 0.00 ATOM 96 CB LEU 13 3.881 13.211 -0.365 1.00 0.00 ATOM 97 CG LEU 13 4.595 14.335 -1.148 1.00 0.00 ATOM 98 CD1 LEU 13 5.695 13.699 -1.993 1.00 0.00 ATOM 99 CD2 LEU 13 3.617 15.254 -1.898 1.00 0.00 ATOM 100 O LEU 13 2.941 15.920 1.310 1.00 0.00 ATOM 101 C LEU 13 2.506 14.797 1.070 1.00 0.00 ATOM 102 N ALA 14 1.231 14.597 0.690 1.00 0.00 ATOM 103 CA ALA 14 0.279 15.700 0.651 1.00 0.00 ATOM 104 CB ALA 14 -1.078 15.173 0.309 1.00 0.00 ATOM 105 O ALA 14 0.116 17.541 2.205 1.00 0.00 ATOM 106 C ALA 14 0.169 16.314 2.051 1.00 0.00 ATOM 107 N ALA 15 0.154 15.456 3.084 1.00 0.00 ATOM 108 CA ALA 15 0.065 15.941 4.444 1.00 0.00 ATOM 109 CB ALA 15 -0.017 14.759 5.438 1.00 0.00 ATOM 110 O ALA 15 1.115 17.857 5.433 1.00 0.00 ATOM 111 C ALA 15 1.264 16.808 4.804 1.00 0.00 ATOM 112 N LYS 16 2.479 16.386 4.403 1.00 0.00 ATOM 113 CA LYS 16 3.687 17.156 4.675 1.00 0.00 ATOM 114 CB LYS 16 4.889 16.308 4.307 1.00 0.00 ATOM 115 CG LYS 16 5.222 15.290 5.328 1.00 0.00 ATOM 116 CD LYS 16 6.366 14.400 4.820 1.00 0.00 ATOM 117 CE LYS 16 7.010 13.484 5.834 1.00 0.00 ATOM 118 NZ LYS 16 6.416 13.450 7.147 1.00 0.00 ATOM 119 O LYS 16 4.191 19.495 4.459 1.00 0.00 ATOM 120 C LYS 16 3.658 18.505 3.953 1.00 0.00 ATOM 121 N ALA 17 3.119 18.512 2.721 1.00 0.00 ATOM 122 CA ALA 17 3.031 19.744 1.938 1.00 0.00 ATOM 123 CB ALA 17 2.399 19.340 0.549 1.00 0.00 ATOM 124 O ALA 17 2.613 21.979 2.731 1.00 0.00 ATOM 125 C ALA 17 2.229 20.803 2.687 1.00 0.00 ATOM 126 N LYS 18 1.140 20.407 3.329 1.00 0.00 ATOM 127 CA LYS 18 0.327 21.324 4.067 1.00 0.00 ATOM 128 CB LYS 18 -1.002 20.647 4.421 1.00 0.00 ATOM 129 CG LYS 18 -1.905 20.343 3.231 1.00 0.00 ATOM 130 CD LYS 18 -3.187 19.664 3.682 1.00 0.00 ATOM 131 CE LYS 18 -4.123 19.371 2.541 1.00 0.00 ATOM 132 NZ LYS 18 -4.805 20.584 2.030 1.00 0.00 ATOM 133 O LYS 18 1.047 23.073 5.554 1.00 0.00 ATOM 134 C LYS 18 0.963 21.859 5.349 1.00 0.00 ATOM 135 N ALA 19 1.617 21.007 6.074 1.00 0.00 ATOM 136 CA ALA 19 2.353 21.418 7.261 1.00 0.00 ATOM 137 CB ALA 19 2.778 20.184 8.022 1.00 0.00 ATOM 138 O ALA 19 4.010 23.074 7.823 1.00 0.00 ATOM 139 C ALA 19 3.609 22.233 7.006 1.00 0.00 ATOM 140 N GLY 20 4.229 21.941 5.735 1.00 0.00 ATOM 141 CA GLY 20 5.439 22.647 5.340 1.00 0.00 ATOM 142 O GLY 20 7.739 22.562 6.020 1.00 0.00 ATOM 143 C GLY 20 6.568 22.752 6.364 1.00 0.00 ATOM 144 N VAL 21 6.215 23.156 7.572 1.00 0.00 ATOM 145 CA VAL 21 7.204 23.417 8.618 1.00 0.00 ATOM 146 CB VAL 21 6.840 24.915 9.154 1.00 0.00 ATOM 147 CG1 VAL 21 7.686 25.321 10.336 1.00 0.00 ATOM 148 CG2 VAL 21 6.928 25.934 8.015 1.00 0.00 ATOM 149 O VAL 21 8.462 22.145 10.210 1.00 0.00 ATOM 150 C VAL 21 7.696 22.113 9.249 1.00 0.00 ATOM 151 N ILE 22 7.175 20.976 8.721 1.00 0.00 ATOM 152 CA ILE 22 7.570 19.672 9.259 1.00 0.00 ATOM 153 CB ILE 22 6.973 18.539 8.347 1.00 0.00 ATOM 154 CG1 ILE 22 5.446 18.513 8.467 1.00 0.00 ATOM 155 CG2 ILE 22 7.611 17.183 8.693 1.00 0.00 ATOM 156 CD1 ILE 22 4.763 17.515 7.548 1.00 0.00 ATOM 157 O ILE 22 9.660 19.569 10.440 1.00 0.00 ATOM 158 C ILE 22 9.085 19.550 9.346 1.00 0.00 ATOM 159 N THR 23 9.757 19.539 8.115 1.00 0.00 ATOM 160 CA THR 23 11.215 19.514 8.075 1.00 0.00 ATOM 161 CB THR 23 11.837 18.586 9.156 1.00 0.00 ATOM 162 CG2 THR 23 13.356 18.476 8.960 1.00 0.00 ATOM 163 OG1 THR 23 11.573 19.096 10.467 1.00 0.00 ATOM 164 O THR 23 11.474 17.866 6.340 1.00 0.00 ATOM 165 C THR 23 11.660 19.036 6.690 1.00 0.00 ATOM 166 N GLU 24 12.332 19.929 5.931 1.00 0.00 ATOM 167 CA GLU 24 12.781 19.511 4.585 1.00 0.00 ATOM 168 CB GLU 24 13.494 20.666 3.878 1.00 0.00 ATOM 169 CG GLU 24 12.578 21.811 3.476 1.00 0.00 ATOM 170 CD GLU 24 13.336 22.985 2.891 1.00 0.00 ATOM 171 OE1 GLU 24 14.583 22.935 2.867 1.00 0.00 ATOM 172 OE2 GLU 24 12.683 23.956 2.456 1.00 0.00 ATOM 173 O GLU 24 13.654 17.414 3.812 1.00 0.00 ATOM 174 C GLU 24 13.747 18.328 4.627 1.00 0.00 ATOM 175 N GLU 25 14.633 18.294 5.636 1.00 0.00 ATOM 176 CA GLU 25 15.630 17.233 5.742 1.00 0.00 ATOM 177 CB GLU 25 16.619 17.558 6.841 1.00 0.00 ATOM 178 CG GLU 25 17.520 18.719 6.478 1.00 0.00 ATOM 179 CD GLU 25 18.477 19.087 7.587 1.00 0.00 ATOM 180 OE1 GLU 25 18.159 18.816 8.762 1.00 0.00 ATOM 181 OE2 GLU 25 19.550 19.645 7.290 1.00 0.00 ATOM 182 O GLU 25 15.162 14.935 5.253 1.00 0.00 ATOM 183 C GLU 25 14.976 15.883 6.017 1.00 0.00 ATOM 184 N GLU 26 14.078 15.896 6.956 1.00 0.00 ATOM 185 CA GLU 26 13.375 14.670 7.317 1.00 0.00 ATOM 186 CB GLU 26 12.668 14.561 8.669 1.00 0.00 ATOM 187 CG GLU 26 13.592 14.717 9.868 1.00 0.00 ATOM 188 CD GLU 26 12.849 14.675 11.187 1.00 0.00 ATOM 189 OE1 GLU 26 11.606 14.537 11.165 1.00 0.00 ATOM 190 OE2 GLU 26 13.507 14.780 12.244 1.00 0.00 ATOM 191 O GLU 26 12.306 13.161 5.793 1.00 0.00 ATOM 192 C GLU 26 12.397 14.318 6.200 1.00 0.00 ATOM 193 N LYS 27 11.681 15.315 5.659 1.00 0.00 ATOM 194 CA LYS 27 10.729 15.078 4.581 1.00 0.00 ATOM 195 CB LYS 27 10.004 16.372 4.197 1.00 0.00 ATOM 196 CG LYS 27 9.143 16.968 5.299 1.00 0.00 ATOM 197 CD LYS 27 8.359 18.175 4.792 1.00 0.00 ATOM 198 CE LYS 27 7.511 18.787 5.899 1.00 0.00 ATOM 199 NZ LYS 27 6.660 19.904 5.397 1.00 0.00 ATOM 200 O LYS 27 11.002 13.764 2.594 1.00 0.00 ATOM 201 C LYS 27 11.465 14.643 3.314 1.00 0.00 ATOM 202 N ALA 28 12.596 15.298 3.043 1.00 0.00 ATOM 203 CA ALA 28 13.389 14.966 1.862 1.00 0.00 ATOM 204 CB ALA 28 14.596 15.879 1.692 1.00 0.00 ATOM 205 O ALA 28 13.881 12.817 0.903 1.00 0.00 ATOM 206 C ALA 28 13.884 13.525 1.911 1.00 0.00 ATOM 207 N GLU 29 14.349 13.112 3.085 1.00 0.00 ATOM 208 CA GLU 29 14.866 11.764 3.291 1.00 0.00 ATOM 209 CB GLU 29 15.481 11.592 4.661 1.00 0.00 ATOM 210 CG GLU 29 16.714 12.475 4.862 1.00 0.00 ATOM 211 CD GLU 29 17.733 12.259 3.751 1.00 0.00 ATOM 212 OE1 GLU 29 18.089 11.067 3.598 1.00 0.00 ATOM 213 OE2 GLU 29 18.106 13.219 3.055 1.00 0.00 ATOM 214 O GLU 29 14.064 9.653 2.495 1.00 0.00 ATOM 215 C GLU 29 13.809 10.677 3.125 1.00 0.00 ATOM 216 N GLN 30 12.617 10.872 3.704 1.00 0.00 ATOM 217 CA GLN 30 11.572 9.858 3.600 1.00 0.00 ATOM 218 CB GLN 30 10.395 10.259 4.560 1.00 0.00 ATOM 219 CG GLN 30 10.763 10.326 6.035 1.00 0.00 ATOM 220 CD GLN 30 11.429 9.055 6.534 1.00 0.00 ATOM 221 OE1 GLN 30 12.520 9.094 7.107 1.00 0.00 ATOM 222 NE2 GLN 30 10.780 7.920 6.316 1.00 0.00 ATOM 223 O GLN 30 10.798 8.498 1.777 1.00 0.00 ATOM 224 C GLN 30 11.086 9.630 2.169 1.00 0.00 ATOM 225 N GLN 31 11.057 10.689 1.406 1.00 0.00 ATOM 226 CA GLN 31 10.610 10.586 0.019 1.00 0.00 ATOM 227 CB GLN 31 10.307 12.006 -0.491 1.00 0.00 ATOM 228 CG GLN 31 9.065 12.605 0.156 1.00 0.00 ATOM 229 CD GLN 31 8.981 14.113 0.025 1.00 0.00 ATOM 230 OE1 GLN 31 7.946 14.712 0.322 1.00 0.00 ATOM 231 NE2 GLN 31 10.069 14.734 -0.408 1.00 0.00 ATOM 232 O GLN 31 11.134 9.019 -1.688 1.00 0.00 ATOM 233 C GLN 31 11.565 9.795 -0.842 1.00 0.00 ATOM 234 N LYS 32 12.879 9.991 -0.649 1.00 0.00 ATOM 235 CA LYS 32 13.854 9.281 -1.451 1.00 0.00 ATOM 236 CB LYS 32 15.236 9.748 -1.049 1.00 0.00 ATOM 237 CG LYS 32 16.367 8.980 -1.706 1.00 0.00 ATOM 238 CD LYS 32 17.735 9.717 -1.504 1.00 0.00 ATOM 239 CE LYS 32 18.791 9.349 -2.506 1.00 0.00 ATOM 240 NZ LYS 32 19.209 7.950 -2.227 1.00 0.00 ATOM 241 O LYS 32 13.720 6.993 -2.179 1.00 0.00 ATOM 242 C LYS 32 13.720 7.774 -1.228 1.00 0.00 ATOM 243 N LEU 33 13.605 7.382 0.038 1.00 0.00 ATOM 244 CA LEU 33 13.467 5.982 0.418 1.00 0.00 ATOM 245 CB LEU 33 13.568 5.836 1.932 1.00 0.00 ATOM 246 CG LEU 33 14.888 6.320 2.532 1.00 0.00 ATOM 247 CD1 LEU 33 14.853 6.130 4.024 1.00 0.00 ATOM 248 CD2 LEU 33 16.040 5.563 1.922 1.00 0.00 ATOM 249 O LEU 33 12.149 4.227 -0.545 1.00 0.00 ATOM 250 C LEU 33 12.162 5.365 -0.077 1.00 0.00 ATOM 251 N ARG 34 11.073 6.132 0.009 1.00 0.00 ATOM 252 CA ARG 34 9.786 5.722 -0.549 1.00 0.00 ATOM 253 CB ARG 34 8.698 6.672 -0.114 1.00 0.00 ATOM 254 CG ARG 34 8.477 6.599 1.392 1.00 0.00 ATOM 255 CD ARG 34 7.586 7.624 1.927 1.00 0.00 ATOM 256 NE ARG 34 7.433 7.480 3.390 1.00 0.00 ATOM 257 CZ ARG 34 6.708 8.247 4.136 1.00 0.00 ATOM 258 NH1 ARG 34 6.023 9.241 3.609 1.00 0.00 ATOM 259 NH2 ARG 34 6.598 8.022 5.434 1.00 0.00 ATOM 260 O ARG 34 9.387 4.589 -2.591 1.00 0.00 ATOM 261 C ARG 34 9.890 5.567 -2.044 1.00 0.00 ATOM 262 N GLN 35 10.638 6.455 -2.693 1.00 0.00 ATOM 263 CA GLN 35 10.820 6.340 -4.138 1.00 0.00 ATOM 264 CB GLN 35 11.589 7.513 -4.665 1.00 0.00 ATOM 265 CG GLN 35 11.892 7.429 -6.154 1.00 0.00 ATOM 266 CD GLN 35 12.648 8.642 -6.656 1.00 0.00 ATOM 267 OE1 GLN 35 13.755 8.923 -6.203 1.00 0.00 ATOM 268 NE2 GLN 35 12.052 9.367 -7.592 1.00 0.00 ATOM 269 O GLN 35 11.305 4.294 -5.357 1.00 0.00 ATOM 270 C GLN 35 11.615 5.081 -4.428 1.00 0.00 ATOM 271 N GLU 36 12.616 4.788 -3.643 1.00 0.00 ATOM 272 CA GLU 36 13.416 3.583 -3.813 1.00 0.00 ATOM 273 CB GLU 36 14.520 3.551 -2.795 1.00 0.00 ATOM 274 CG GLU 36 15.461 2.372 -2.916 1.00 0.00 ATOM 275 CD GLU 36 16.550 2.407 -1.863 1.00 0.00 ATOM 276 OE1 GLU 36 16.218 2.330 -0.660 1.00 0.00 ATOM 277 OE2 GLU 36 17.739 2.518 -2.236 1.00 0.00 ATOM 278 O GLU 36 12.656 1.385 -4.437 1.00 0.00 ATOM 279 C GLU 36 12.580 2.316 -3.635 1.00 0.00 ATOM 280 N TYR 37 11.734 2.325 -2.611 1.00 0.00 ATOM 281 CA TYR 37 10.869 1.196 -2.294 1.00 0.00 ATOM 282 CB TYR 37 10.142 1.477 -0.951 1.00 0.00 ATOM 283 CG TYR 37 8.913 0.621 -0.718 1.00 0.00 ATOM 284 CD1 TYR 37 7.696 0.935 -1.327 1.00 0.00 ATOM 285 CD2 TYR 37 8.970 -0.508 0.093 1.00 0.00 ATOM 286 CE1 TYR 37 6.567 0.147 -1.136 1.00 0.00 ATOM 287 CE2 TYR 37 7.846 -1.304 0.293 1.00 0.00 ATOM 288 CZ TYR 37 6.649 -0.972 -0.325 1.00 0.00 ATOM 289 OH TYR 37 5.533 -1.756 -0.142 1.00 0.00 ATOM 290 O TYR 37 9.465 -0.218 -3.628 1.00 0.00 ATOM 291 C TYR 37 9.820 0.932 -3.364 1.00 0.00 ATOM 292 N LEU 38 9.269 2.004 -3.920 1.00 0.00 ATOM 293 CA LEU 38 8.234 1.880 -4.937 1.00 0.00 ATOM 294 CB LEU 38 7.516 3.217 -5.139 1.00 0.00 ATOM 295 CG LEU 38 6.434 3.205 -6.225 1.00 0.00 ATOM 296 CD1 LEU 38 5.331 2.223 -5.845 1.00 0.00 ATOM 297 CD2 LEU 38 5.866 4.600 -6.391 1.00 0.00 ATOM 298 O LEU 38 8.313 0.527 -6.987 1.00 0.00 ATOM 299 C LEU 38 8.780 1.411 -6.274 1.00 0.00 ATOM 300 N LYS 39 9.495 -0.369 -6.048 1.00 0.00 ATOM 301 CA LYS 39 9.562 -1.600 -6.836 1.00 0.00 ATOM 302 CB LYS 39 8.660 -2.692 -6.007 1.00 0.00 ATOM 303 CG LYS 39 8.598 -2.531 -4.505 1.00 0.00 ATOM 304 CD LYS 39 7.532 -3.431 -3.940 1.00 0.00 ATOM 305 CE LYS 39 7.377 -3.250 -2.456 1.00 0.00 ATOM 306 NZ LYS 39 6.305 -4.150 -1.954 1.00 0.00 ATOM 307 O LYS 39 8.743 -1.768 -9.074 1.00 0.00 ATOM 308 C LYS 39 9.547 -1.233 -8.323 1.00 0.00 ATOM 309 N GLY 40 10.450 -0.318 -8.732 1.00 0.00 ATOM 310 CA GLY 40 10.550 0.019 -10.140 1.00 0.00 ATOM 311 O GLY 40 10.165 1.982 -11.435 1.00 0.00 ATOM 312 C GLY 40 9.894 1.358 -10.411 1.00 0.00 ATOM 313 N PHE 41 8.931 1.867 -9.500 1.00 0.00 ATOM 314 CA PHE 41 8.211 3.130 -9.678 1.00 0.00 ATOM 315 CB PHE 41 6.819 3.030 -9.526 1.00 0.00 ATOM 316 CG PHE 41 6.275 2.553 -10.889 1.00 0.00 ATOM 317 CD1 PHE 41 7.053 2.560 -12.070 1.00 0.00 ATOM 318 CD2 PHE 41 4.965 2.141 -10.954 1.00 0.00 ATOM 319 CE1 PHE 41 6.502 2.169 -13.285 1.00 0.00 ATOM 320 CE2 PHE 41 4.389 1.729 -12.198 1.00 0.00 ATOM 321 CZ PHE 41 5.164 1.753 -13.338 1.00 0.00 ATOM 322 O PHE 41 8.441 4.766 -7.930 1.00 0.00 ATOM 323 C PHE 41 8.838 4.359 -9.021 1.00 0.00 ATOM 324 N ARG 42 9.733 5.011 -9.761 1.00 0.00 ATOM 325 CA ARG 42 10.446 6.183 -9.265 1.00 0.00 ATOM 326 CB ARG 42 11.960 6.008 -9.923 1.00 0.00 ATOM 327 CG ARG 42 12.404 4.538 -10.127 1.00 0.00 ATOM 328 CD ARG 42 13.565 4.469 -11.088 1.00 0.00 ATOM 329 NE ARG 42 13.141 4.872 -12.423 1.00 0.00 ATOM 330 CZ ARG 42 12.454 4.094 -13.255 1.00 0.00 ATOM 331 NH1 ARG 42 12.113 2.851 -12.910 1.00 0.00 ATOM 332 NH2 ARG 42 12.089 4.560 -14.436 1.00 0.00 ATOM 333 O ARG 42 9.903 8.498 -9.528 1.00 0.00 ATOM 334 C ARG 42 10.005 7.401 -10.074 1.00 0.00 ATOM 335 N SER 43 9.733 7.227 -11.436 1.00 0.00 ATOM 336 CA SER 43 9.290 8.350 -12.261 1.00 0.00 ATOM 337 CB SER 43 8.508 8.036 -13.503 1.00 0.00 ATOM 338 OG SER 43 7.401 7.195 -13.239 1.00 0.00 ATOM 339 O SER 43 8.410 10.432 -11.438 1.00 0.00 ATOM 340 C SER 43 8.277 9.196 -11.493 1.00 0.00 ATOM 341 N SER 44 7.301 8.538 -10.839 1.00 0.00 ATOM 342 CA SER 44 6.265 9.256 -10.073 1.00 0.00 ATOM 343 CB SER 44 5.081 8.432 -9.677 1.00 0.00 ATOM 344 OG SER 44 5.400 7.371 -8.805 1.00 0.00 ATOM 345 O SER 44 6.552 10.956 -8.455 1.00 0.00 ATOM 346 C SER 44 6.878 9.827 -8.797 1.00 0.00 ATOM 347 N MET 45 7.724 9.055 -8.158 1.00 0.00 ATOM 348 CA MET 45 8.317 9.608 -6.960 1.00 0.00 ATOM 349 CB MET 45 9.025 8.485 -6.146 1.00 0.00 ATOM 350 CG MET 45 8.076 7.395 -5.606 1.00 0.00 ATOM 351 SD MET 45 6.707 8.031 -4.605 1.00 0.00 ATOM 352 CE MET 45 7.584 8.652 -3.144 1.00 0.00 ATOM 353 O MET 45 9.325 11.731 -6.458 1.00 0.00 ATOM 354 C MET 45 9.238 10.802 -7.248 1.00 0.00 ATOM 355 N LYS 46 9.920 10.764 -8.397 1.00 0.00 ATOM 356 CA LYS 46 10.739 11.899 -8.854 1.00 0.00 ATOM 357 CB LYS 46 11.366 11.592 -10.215 1.00 0.00 ATOM 358 CG LYS 46 12.266 12.696 -10.747 1.00 0.00 ATOM 359 CD LYS 46 12.917 12.293 -12.059 1.00 0.00 ATOM 360 CE LYS 46 13.793 13.408 -12.605 1.00 0.00 ATOM 361 NZ LYS 46 14.427 13.034 -13.901 1.00 0.00 ATOM 362 O LYS 46 10.222 14.264 -8.553 1.00 0.00 ATOM 363 C LYS 46 9.861 13.160 -8.956 1.00 0.00 ATOM 364 N ASN 47 8.657 12.997 -9.544 1.00 0.00 ATOM 365 CA ASN 47 7.708 14.097 -9.688 1.00 0.00 ATOM 366 CB ASN 47 6.438 13.642 -10.411 1.00 0.00 ATOM 367 CG ASN 47 6.659 13.427 -11.896 1.00 0.00 ATOM 368 ND2 ASN 47 5.770 12.663 -12.520 1.00 0.00 ATOM 369 OD1 ASN 47 7.617 13.944 -12.472 1.00 0.00 ATOM 370 O ASN 47 7.293 15.844 -8.091 1.00 0.00 ATOM 371 C ASN 47 7.325 14.629 -8.321 1.00 0.00 ATOM 372 N THR 48 7.001 13.722 -7.419 1.00 0.00 ATOM 373 CA THR 48 6.609 14.108 -6.047 1.00 0.00 ATOM 374 CB THR 48 6.031 12.944 -5.159 1.00 0.00 ATOM 375 CG2 THR 48 4.785 12.306 -5.770 1.00 0.00 ATOM 376 OG1 THR 48 7.024 11.908 -5.025 1.00 0.00 ATOM 377 O THR 48 7.552 15.751 -4.573 1.00 0.00 ATOM 378 C THR 48 7.766 14.809 -5.332 1.00 0.00 ATOM 379 N LEU 49 8.991 14.276 -5.471 1.00 0.00 ATOM 380 CA LEU 49 10.156 14.879 -4.841 1.00 0.00 ATOM 381 CB LEU 49 11.422 14.062 -5.114 1.00 0.00 ATOM 382 CG LEU 49 11.512 12.729 -4.364 1.00 0.00 ATOM 383 CD1 LEU 49 12.665 11.912 -4.928 1.00 0.00 ATOM 384 CD2 LEU 49 11.708 12.973 -2.872 1.00 0.00 ATOM 385 O LEU 49 10.635 17.232 -4.630 1.00 0.00 ATOM 386 C LEU 49 10.321 16.304 -5.380 1.00 0.00 ATOM 387 N LYS 50 10.085 16.481 -6.677 1.00 0.00 ATOM 388 CA LYS 50 10.206 17.800 -7.293 1.00 0.00 ATOM 389 CB LYS 50 9.825 17.771 -8.719 1.00 0.00 ATOM 390 CG LYS 50 10.774 16.954 -9.577 1.00 0.00 ATOM 391 CD LYS 50 10.620 17.396 -11.025 1.00 0.00 ATOM 392 CE LYS 50 11.882 17.281 -11.820 1.00 0.00 ATOM 393 NZ LYS 50 11.691 16.191 -12.799 1.00 0.00 ATOM 394 O LYS 50 9.514 19.829 -6.193 1.00 0.00 ATOM 395 C LYS 50 9.162 18.764 -6.707 1.00 0.00 ATOM 396 N SER 51 7.945 18.286 -6.556 1.00 0.00 ATOM 397 CA SER 51 6.888 19.127 -5.995 1.00 0.00 ATOM 398 CB SER 51 5.530 18.454 -6.231 1.00 0.00 ATOM 399 OG SER 51 5.440 17.243 -5.501 1.00 0.00 ATOM 400 O SER 51 6.737 20.551 -4.062 1.00 0.00 ATOM 401 C SER 51 7.071 19.453 -4.512 1.00 0.00 ATOM 402 N VAL 52 7.651 18.503 -3.782 1.00 0.00 ATOM 403 CA VAL 52 7.866 18.661 -2.336 1.00 0.00 ATOM 404 CB VAL 52 8.322 17.376 -1.660 1.00 0.00 ATOM 405 CG1 VAL 52 8.733 17.628 -0.217 1.00 0.00 ATOM 406 CG2 VAL 52 7.162 16.357 -1.700 1.00 0.00 ATOM 407 O VAL 52 8.755 20.489 -1.030 1.00 0.00 ATOM 408 C VAL 52 8.893 19.776 -2.020 1.00 0.00 ATOM 409 N LYS 53 9.982 19.830 -2.782 1.00 0.00 ATOM 410 CA LYS 53 10.972 20.886 -2.628 1.00 0.00 ATOM 411 CB LYS 53 12.019 20.802 -3.742 1.00 0.00 ATOM 412 CG LYS 53 13.092 21.876 -3.668 1.00 0.00 ATOM 413 CD LYS 53 14.134 21.691 -4.759 1.00 0.00 ATOM 414 CE LYS 53 15.226 22.745 -4.665 1.00 0.00 ATOM 415 NZ LYS 53 16.240 22.592 -5.743 1.00 0.00 ATOM 416 O LYS 53 10.778 23.279 -2.168 1.00 0.00 ATOM 417 C LYS 53 10.311 22.268 -2.697 1.00 0.00 ATOM 418 N ILE 54 9.301 22.112 -3.661 1.00 0.00 ATOM 419 CA ILE 54 8.717 23.439 -3.915 1.00 0.00 ATOM 420 CB ILE 54 7.420 23.168 -4.834 1.00 0.00 ATOM 421 CG1 ILE 54 7.830 22.416 -6.106 1.00 0.00 ATOM 422 CG2 ILE 54 6.770 24.490 -5.190 1.00 0.00 ATOM 423 CD1 ILE 54 6.695 22.123 -7.047 1.00 0.00 ATOM 424 O ILE 54 7.511 23.493 -1.886 1.00 0.00 ATOM 425 C ILE 54 8.215 24.110 -2.691 1.00 0.00 ATOM 426 N ILE 55 8.486 25.413 -2.625 1.00 0.00 ATOM 427 CA ILE 55 8.055 26.205 -1.484 1.00 0.00 ATOM 428 CB ILE 55 9.208 26.411 -0.481 1.00 0.00 ATOM 429 CG1 ILE 55 10.429 26.981 -1.167 1.00 0.00 ATOM 430 CG2 ILE 55 9.537 25.076 0.231 1.00 0.00 ATOM 431 CD1 ILE 55 11.483 27.451 -0.204 1.00 0.00 ATOM 432 O ILE 55 7.913 28.029 -3.030 1.00 0.00 ATOM 433 C ILE 55 7.534 27.543 -1.973 1.00 0.00 ATOM 434 N ASP 56 6.759 28.184 -1.121 1.00 0.00 ATOM 435 CA ASP 56 6.271 29.509 -1.433 1.00 0.00 ATOM 436 CB ASP 56 5.296 30.003 -0.370 1.00 0.00 ATOM 437 CG ASP 56 3.913 29.386 -0.539 1.00 0.00 ATOM 438 OD1 ASP 56 3.710 28.623 -1.512 1.00 0.00 ATOM 439 OD2 ASP 56 3.021 29.665 0.292 1.00 0.00 ATOM 440 O ASP 56 8.518 30.209 -0.872 1.00 0.00 ATOM 441 C ASP 56 7.409 30.513 -1.320 1.00 0.00 ATOM 442 N PRO 57 7.145 31.725 -1.799 1.00 0.00 ATOM 443 CA PRO 57 8.120 32.789 -1.751 1.00 0.00 ATOM 444 CB PRO 57 7.373 34.038 -2.170 1.00 0.00 ATOM 445 CG PRO 57 6.326 33.498 -3.075 1.00 0.00 ATOM 446 CD PRO 57 5.856 32.250 -2.346 1.00 0.00 ATOM 447 O PRO 57 9.926 33.347 -0.256 1.00 0.00 ATOM 448 C PRO 57 8.750 32.973 -0.364 1.00 0.00 ATOM 449 N GLU 58 7.941 32.825 0.690 1.00 0.00 ATOM 450 CA GLU 58 8.413 33.008 2.057 1.00 0.00 ATOM 451 CB GLU 58 7.211 33.297 3.014 1.00 0.00 ATOM 452 CG GLU 58 6.506 34.580 2.695 1.00 0.00 ATOM 453 CD GLU 58 7.421 35.789 2.720 1.00 0.00 ATOM 454 OE1 GLU 58 8.320 35.888 3.620 1.00 0.00 ATOM 455 OE2 GLU 58 7.235 36.632 1.805 1.00 0.00 ATOM 456 O GLU 58 9.579 31.807 3.788 1.00 0.00 ATOM 457 C GLU 58 9.133 31.781 2.647 1.00 0.00 ATOM 458 N GLY 59 9.219 30.697 1.875 1.00 0.00 ATOM 459 CA GLY 59 9.904 29.513 2.350 1.00 0.00 ATOM 460 O GLY 59 9.567 27.363 3.293 1.00 0.00 ATOM 461 C GLY 59 9.060 28.428 2.973 1.00 0.00 ATOM 462 N ASN 60 7.774 28.676 3.141 1.00 0.00 ATOM 463 CA ASN 60 6.878 27.689 3.706 1.00 0.00 ATOM 464 CB ASN 60 5.626 28.336 4.272 1.00 0.00 ATOM 465 CG ASN 60 4.924 29.199 3.241 1.00 0.00 ATOM 466 ND2 ASN 60 3.720 28.794 2.854 1.00 0.00 ATOM 467 OD1 ASN 60 5.496 30.188 2.731 1.00 0.00 ATOM 468 O ASN 60 6.232 26.999 1.490 1.00 0.00 ATOM 469 C ASN 60 6.512 26.636 2.640 1.00 0.00 ATOM 470 N ASP 61 6.118 25.457 3.065 1.00 0.00 ATOM 471 CA ASP 61 5.748 24.385 2.142 1.00 0.00 ATOM 472 CB ASP 61 5.934 23.013 2.799 1.00 0.00 ATOM 473 CG ASP 61 7.365 22.552 2.830 1.00 0.00 ATOM 474 OD1 ASP 61 7.610 21.488 3.441 1.00 0.00 ATOM 475 OD2 ASP 61 8.249 23.212 2.233 1.00 0.00 ATOM 476 O ASP 61 3.412 24.710 2.508 1.00 0.00 ATOM 477 C ASP 61 4.301 24.464 1.697 1.00 0.00 ATOM 478 N VAL 62 4.051 24.264 0.381 1.00 0.00 ATOM 479 CA VAL 62 2.701 24.235 -0.174 1.00 0.00 ATOM 480 CB VAL 62 2.234 25.562 -0.711 1.00 0.00 ATOM 481 CG1 VAL 62 0.780 25.509 -1.162 1.00 0.00 ATOM 482 CG2 VAL 62 2.428 26.669 0.314 1.00 0.00 ATOM 483 O VAL 62 2.901 23.260 -2.352 1.00 0.00 ATOM 484 C VAL 62 2.587 23.084 -1.169 1.00 0.00 ATOM 485 N THR 63 2.066 21.962 -0.524 1.00 0.00 ATOM 486 CA THR 63 1.872 20.837 -1.425 1.00 0.00 ATOM 487 CB THR 63 3.171 19.898 -1.247 1.00 0.00 ATOM 488 CG2 THR 63 2.969 18.606 -2.009 1.00 0.00 ATOM 489 OG1 THR 63 4.323 20.599 -1.751 1.00 0.00 ATOM 490 O THR 63 0.018 19.605 -2.278 1.00 0.00 ATOM 491 C THR 63 0.373 20.637 -1.746 1.00 0.00 ATOM 492 N PRO 64 -0.543 21.532 -1.251 1.00 0.00 ATOM 493 CA PRO 64 -1.988 21.296 -1.404 1.00 0.00 ATOM 494 CB PRO 64 -2.658 22.280 -0.537 1.00 0.00 ATOM 495 CG PRO 64 -1.603 23.386 -0.335 1.00 0.00 ATOM 496 CD PRO 64 -0.390 22.556 -0.130 1.00 0.00 ATOM 497 O PRO 64 -3.241 20.509 -3.285 1.00 0.00 ATOM 498 C PRO 64 -2.351 21.286 -2.879 1.00 0.00 ATOM 499 N GLU 65 -1.737 22.086 -3.757 1.00 0.00 ATOM 500 CA GLU 65 -2.050 22.121 -5.185 1.00 0.00 ATOM 501 CB GLU 65 -1.281 23.250 -5.866 1.00 0.00 ATOM 502 CG GLU 65 -1.568 24.602 -5.206 1.00 0.00 ATOM 503 CD GLU 65 -0.974 25.804 -5.936 1.00 0.00 ATOM 504 OE1 GLU 65 0.090 25.674 -6.608 1.00 0.00 ATOM 505 OE2 GLU 65 -1.576 26.899 -5.811 1.00 0.00 ATOM 506 O GLU 65 -2.519 20.211 -6.590 1.00 0.00 ATOM 507 C GLU 65 -1.724 20.764 -5.819 1.00 0.00 ATOM 508 N LYS 66 -0.550 20.230 -5.489 1.00 0.00 ATOM 509 CA LYS 66 -0.128 18.918 -6.003 1.00 0.00 ATOM 510 CB LYS 66 1.368 18.711 -5.126 1.00 0.00 ATOM 511 CG LYS 66 1.977 20.039 -4.632 1.00 0.00 ATOM 512 CD LYS 66 2.641 20.856 -5.750 1.00 0.00 ATOM 513 CE LYS 66 3.370 22.125 -5.301 1.00 0.00 ATOM 514 NZ LYS 66 4.633 21.864 -4.537 1.00 0.00 ATOM 515 O LYS 66 -1.524 16.993 -6.209 1.00 0.00 ATOM 516 C LYS 66 -1.061 17.838 -5.510 1.00 0.00 ATOM 517 N LEU 67 -1.357 17.902 -4.180 1.00 0.00 ATOM 518 CA LEU 67 -2.275 16.916 -3.610 1.00 0.00 ATOM 519 CB LEU 67 -2.426 17.186 -2.108 1.00 0.00 ATOM 520 CG LEU 67 -3.528 16.383 -1.386 1.00 0.00 ATOM 521 CD1 LEU 67 -3.304 14.885 -1.518 1.00 0.00 ATOM 522 CD2 LEU 67 -3.633 16.783 0.058 1.00 0.00 ATOM 523 O LEU 67 -4.192 15.852 -4.597 1.00 0.00 ATOM 524 C LEU 67 -3.631 16.913 -4.326 1.00 0.00 ATOM 525 N LYS 68 -4.190 18.116 -4.669 1.00 0.00 ATOM 526 CA LYS 68 -5.476 18.205 -5.358 1.00 0.00 ATOM 527 CB LYS 68 -5.922 19.663 -5.488 1.00 0.00 ATOM 528 CG LYS 68 -6.343 20.304 -4.175 1.00 0.00 ATOM 529 CD LYS 68 -6.776 21.745 -4.379 1.00 0.00 ATOM 530 CE LYS 68 -7.173 22.394 -3.064 1.00 0.00 ATOM 531 NZ LYS 68 -7.567 23.817 -3.241 1.00 0.00 ATOM 532 O LYS 68 -6.249 16.761 -7.102 1.00 0.00 ATOM 533 C LYS 68 -5.399 17.563 -6.732 1.00 0.00 ATOM 534 N ARG 69 -4.378 17.887 -7.618 1.00 0.00 ATOM 535 CA ARG 69 -4.190 17.344 -8.954 1.00 0.00 ATOM 536 CB ARG 69 -3.388 18.201 -9.848 1.00 0.00 ATOM 537 CG ARG 69 -4.231 19.341 -10.436 1.00 0.00 ATOM 538 CD ARG 69 -3.541 20.026 -11.617 1.00 0.00 ATOM 539 NE ARG 69 -2.416 20.870 -11.220 1.00 0.00 ATOM 540 CZ ARG 69 -2.537 22.040 -10.598 1.00 0.00 ATOM 541 NH1 ARG 69 -3.738 22.516 -10.298 1.00 0.00 ATOM 542 NH2 ARG 69 -1.455 22.740 -10.282 1.00 0.00 ATOM 543 O ARG 69 -3.769 15.060 -9.491 1.00 0.00 ATOM 544 C ARG 69 -3.364 16.061 -8.879 1.00 0.00 ATOM 545 N GLU 70 -2.293 16.069 -8.100 1.00 0.00 ATOM 546 CA GLU 70 -1.433 14.912 -7.954 1.00 0.00 ATOM 547 CB GLU 70 -0.223 15.220 -7.115 1.00 0.00 ATOM 548 CG GLU 70 0.732 14.042 -7.040 1.00 0.00 ATOM 549 CD GLU 70 1.522 13.806 -8.306 1.00 0.00 ATOM 550 OE1 GLU 70 1.546 14.631 -9.293 1.00 0.00 ATOM 551 OE2 GLU 70 2.176 12.738 -8.310 1.00 0.00 ATOM 552 O GLU 70 -2.167 12.635 -7.736 1.00 0.00 ATOM 553 C GLU 70 -2.179 13.787 -7.268 1.00 0.00 ATOM 554 N GLN 71 -2.921 14.085 -6.191 1.00 0.00 ATOM 555 CA GLN 71 -3.584 12.967 -5.535 1.00 0.00 ATOM 556 CB GLN 71 -4.108 13.438 -4.134 1.00 0.00 ATOM 557 CG GLN 71 -4.503 12.298 -3.249 1.00 0.00 ATOM 558 CD GLN 71 -5.730 12.549 -2.452 1.00 0.00 ATOM 559 OE1 GLN 71 -6.628 13.279 -2.894 1.00 0.00 ATOM 560 NE2 GLN 71 -5.820 11.914 -1.292 1.00 0.00 ATOM 561 O GLN 71 -4.891 11.134 -6.359 1.00 0.00 ATOM 562 C GLN 71 -4.677 12.346 -6.392 1.00 0.00 ATOM 563 N ARG 72 -5.447 13.183 -7.108 1.00 0.00 ATOM 564 CA ARG 72 -6.529 12.712 -7.963 1.00 0.00 ATOM 565 CB ARG 72 -7.201 13.968 -8.637 1.00 0.00 ATOM 566 CG ARG 72 -8.649 13.713 -9.020 1.00 0.00 ATOM 567 CD ARG 72 -9.225 14.778 -9.934 1.00 0.00 ATOM 568 NE ARG 72 -8.264 15.804 -10.327 1.00 0.00 ATOM 569 CZ ARG 72 -8.174 17.006 -9.758 1.00 0.00 ATOM 570 NH1 ARG 72 -8.986 17.340 -8.759 1.00 0.00 ATOM 571 NH2 ARG 72 -7.303 17.897 -10.230 1.00 0.00 ATOM 572 O ARG 72 -6.600 10.747 -9.354 1.00 0.00 ATOM 573 C ARG 72 -5.999 11.782 -9.050 1.00 0.00 ATOM 574 N ASN 73 -4.877 12.173 -9.702 1.00 0.00 ATOM 575 CA ASN 73 -4.269 11.369 -10.751 1.00 0.00 ATOM 576 CB ASN 73 -3.094 12.087 -11.374 1.00 0.00 ATOM 577 CG ASN 73 -3.535 13.237 -12.251 1.00 0.00 ATOM 578 ND2 ASN 73 -2.605 14.120 -12.591 1.00 0.00 ATOM 579 OD1 ASN 73 -4.712 13.333 -12.613 1.00 0.00 ATOM 580 O ASN 73 -3.980 8.991 -10.766 1.00 0.00 ATOM 581 C ASN 73 -3.799 10.044 -10.161 1.00 0.00 ATOM 582 N ASN 74 -3.202 10.107 -8.969 1.00 0.00 ATOM 583 CA ASN 74 -2.724 8.886 -8.328 1.00 0.00 ATOM 584 CB ASN 74 -1.996 9.107 -7.107 1.00 0.00 ATOM 585 CG ASN 74 -1.259 7.891 -6.634 1.00 0.00 ATOM 586 ND2 ASN 74 -1.450 7.555 -5.354 1.00 0.00 ATOM 587 OD1 ASN 74 -0.497 7.266 -7.380 1.00 0.00 ATOM 588 O ASN 74 -3.797 6.733 -8.170 1.00 0.00 ATOM 589 C ASN 74 -3.917 7.946 -8.036 1.00 0.00 ATOM 590 N LYS 75 -5.029 8.490 -7.526 1.00 0.00 ATOM 591 CA LYS 75 -6.217 7.672 -7.272 1.00 0.00 ATOM 592 CB LYS 75 -7.342 8.550 -6.721 1.00 0.00 ATOM 593 CG LYS 75 -8.610 7.792 -6.371 1.00 0.00 ATOM 594 CD LYS 75 -9.653 8.711 -5.757 1.00 0.00 ATOM 595 CE LYS 75 -10.933 7.956 -5.435 1.00 0.00 ATOM 596 NZ LYS 75 -11.970 8.849 -4.845 1.00 0.00 ATOM 597 O LYS 75 -7.036 5.796 -8.478 1.00 0.00 ATOM 598 C LYS 75 -6.682 6.964 -8.558 1.00 0.00 ATOM 599 N LEU 76 -6.707 7.663 -9.694 1.00 0.00 ATOM 600 CA LEU 76 -7.158 7.067 -10.938 1.00 0.00 ATOM 601 CB LEU 76 -7.189 8.096 -12.059 1.00 0.00 ATOM 602 CG LEU 76 -7.644 7.458 -13.418 1.00 0.00 ATOM 603 CD1 LEU 76 -9.107 7.059 -13.425 1.00 0.00 ATOM 604 CD2 LEU 76 -7.367 8.488 -14.525 1.00 0.00 ATOM 605 O LEU 76 -6.696 4.848 -11.737 1.00 0.00 ATOM 606 C LEU 76 -6.235 5.896 -11.281 1.00 0.00 ATOM 607 N HIS 77 -4.934 6.074 -11.082 1.00 0.00 ATOM 608 CA HIS 77 -3.991 5.004 -11.373 1.00 0.00 ATOM 609 CB HIS 77 -2.543 5.405 -11.130 1.00 0.00 ATOM 610 CG HIS 77 -2.026 6.415 -12.114 1.00 0.00 ATOM 611 CD2 HIS 77 -1.378 7.588 -11.937 1.00 0.00 ATOM 612 ND1 HIS 77 -2.179 6.258 -13.472 1.00 0.00 ATOM 613 CE1 HIS 77 -1.641 7.293 -14.096 1.00 0.00 ATOM 614 NE2 HIS 77 -1.145 8.107 -13.187 1.00 0.00 ATOM 615 O HIS 77 -4.151 2.631 -11.012 1.00 0.00 ATOM 616 C HIS 77 -4.208 3.758 -10.514 1.00 0.00 ATOM 617 N LEU 78 -4.388 3.984 -9.213 1.00 0.00 ATOM 618 CA LEU 78 -4.622 2.896 -8.266 1.00 0.00 ATOM 619 CB LEU 78 -4.802 3.390 -6.865 1.00 0.00 ATOM 620 CG LEU 78 -5.151 2.296 -5.848 1.00 0.00 ATOM 621 CD1 LEU 78 -3.976 1.364 -5.661 1.00 0.00 ATOM 622 CD2 LEU 78 -5.566 2.929 -4.531 1.00 0.00 ATOM 623 O LEU 78 -5.918 0.891 -8.551 1.00 0.00 ATOM 624 C LEU 78 -5.847 2.105 -8.724 1.00 0.00 ATOM 625 N GLU 79 -6.823 2.837 -9.248 1.00 0.00 ATOM 626 CA GLU 79 -8.066 2.269 -9.760 1.00 0.00 ATOM 627 CB GLU 79 -9.038 3.347 -10.177 1.00 0.00 ATOM 628 CG GLU 79 -10.331 2.811 -10.768 1.00 0.00 ATOM 629 CD GLU 79 -11.287 3.911 -11.193 1.00 0.00 ATOM 630 OE1 GLU 79 -10.883 5.097 -11.183 1.00 0.00 ATOM 631 OE2 GLU 79 -12.445 3.583 -11.535 1.00 0.00 ATOM 632 O GLU 79 -8.354 0.235 -11.002 1.00 0.00 ATOM 633 C GLU 79 -7.762 1.309 -10.905 1.00 0.00 ATOM 634 N HIS 80 -6.827 1.701 -11.766 1.00 0.00 ATOM 635 CA HIS 80 -6.423 0.856 -12.885 1.00 0.00 ATOM 636 CB HIS 80 -5.388 1.486 -13.759 1.00 0.00 ATOM 637 CG HIS 80 -4.897 0.588 -14.851 1.00 0.00 ATOM 638 CD2 HIS 80 -5.276 0.466 -16.145 1.00 0.00 ATOM 639 ND1 HIS 80 -3.926 -0.369 -14.645 1.00 0.00 ATOM 640 CE1 HIS 80 -3.728 -1.041 -15.765 1.00 0.00 ATOM 641 NE2 HIS 80 -4.536 -0.554 -16.690 1.00 0.00 ATOM 642 O HIS 80 -6.186 -1.538 -12.828 1.00 0.00 ATOM 643 C HIS 80 -5.863 -0.456 -12.341 1.00 0.00 ATOM 644 N HIS 81 -5.031 -0.322 -11.320 1.00 0.00 ATOM 645 CA HIS 81 -4.388 -1.465 -10.660 1.00 0.00 ATOM 646 CB HIS 81 -3.457 -1.033 -9.581 1.00 0.00 ATOM 647 CG HIS 81 -2.874 -2.165 -8.793 1.00 0.00 ATOM 648 CD2 HIS 81 -3.002 -2.498 -7.485 1.00 0.00 ATOM 649 ND1 HIS 81 -2.039 -3.111 -9.348 1.00 0.00 ATOM 650 CE1 HIS 81 -1.676 -3.976 -8.418 1.00 0.00 ATOM 651 NE2 HIS 81 -2.247 -3.628 -7.279 1.00 0.00 ATOM 652 O HIS 81 -5.375 -3.589 -10.112 1.00 0.00 ATOM 653 C HIS 81 -5.434 -2.357 -10.014 1.00 0.00 ATOM 654 N HIS 82 -6.409 -1.752 -9.357 1.00 0.00 ATOM 655 CA HIS 82 -7.486 -2.513 -8.729 1.00 0.00 ATOM 656 CB HIS 82 -8.452 -1.577 -7.970 1.00 0.00 ATOM 657 CG HIS 82 -9.750 -2.224 -7.595 1.00 0.00 ATOM 658 CD2 HIS 82 -10.112 -2.937 -6.501 1.00 0.00 ATOM 659 ND1 HIS 82 -10.870 -2.171 -8.405 1.00 0.00 ATOM 660 CE1 HIS 82 -11.857 -2.842 -7.834 1.00 0.00 ATOM 661 NE2 HIS 82 -11.424 -3.320 -6.679 1.00 0.00 ATOM 662 O HIS 82 -8.647 -4.475 -9.514 1.00 0.00 ATOM 663 C HIS 82 -8.266 -3.327 -9.763 1.00 0.00 ATOM 664 N HIS 83 -8.546 -2.704 -10.907 1.00 0.00 ATOM 665 CA HIS 83 -9.291 -3.363 -11.980 1.00 0.00 ATOM 666 CB HIS 83 -9.743 -2.344 -13.020 1.00 0.00 ATOM 667 CG HIS 83 -11.084 -1.755 -12.737 1.00 0.00 ATOM 668 CD2 HIS 83 -11.470 -0.802 -11.857 1.00 0.00 ATOM 669 ND1 HIS 83 -12.214 -2.121 -13.434 1.00 0.00 ATOM 670 CE1 HIS 83 -13.246 -1.421 -12.987 1.00 0.00 ATOM 671 NE2 HIS 83 -12.820 -0.607 -12.037 1.00 0.00 ATOM 672 O HIS 83 -9.068 -5.556 -12.864 1.00 0.00 ATOM 673 C HIS 83 -8.500 -4.499 -12.630 1.00 0.00 ATOM 674 N HIS 84 -7.187 -4.314 -12.810 1.00 0.00 ATOM 675 CA HIS 84 -6.318 -5.392 -13.278 1.00 0.00 ATOM 676 CB HIS 84 -4.886 -4.887 -13.464 1.00 0.00 ATOM 677 CG HIS 84 -3.945 -5.919 -14.002 1.00 0.00 ATOM 678 CD2 HIS 84 -2.818 -6.672 -13.476 1.00 0.00 ATOM 679 ND1 HIS 84 -4.020 -6.392 -15.296 1.00 0.00 ATOM 680 CE1 HIS 84 -3.050 -7.306 -15.483 1.00 0.00 ATOM 681 NE2 HIS 84 -2.324 -7.478 -14.397 1.00 0.00 ATOM 682 O HIS 84 -6.601 -7.694 -12.598 1.00 0.00 ATOM 683 C HIS 84 -6.336 -6.547 -12.261 1.00 0.00 ATOM 684 N HIS 85 -6.064 -6.255 -11.004 1.00 0.00 ATOM 685 CA HIS 85 -6.062 -7.284 -9.988 1.00 0.00 ATOM 686 CB HIS 85 -5.444 -6.720 -8.684 1.00 0.00 ATOM 687 CG HIS 85 -5.384 -7.694 -7.549 1.00 0.00 ATOM 688 CD2 HIS 85 -5.959 -7.669 -6.325 1.00 0.00 ATOM 689 ND1 HIS 85 -4.658 -8.863 -7.609 1.00 0.00 ATOM 690 CE1 HIS 85 -4.789 -9.518 -6.468 1.00 0.00 ATOM 691 NE2 HIS 85 -5.573 -8.814 -5.671 1.00 0.00 ATOM 692 O HIS 85 -8.455 -7.224 -9.739 1.00 0.00 ATOM 693 C HIS 85 -7.442 -7.922 -9.815 1.00 0.00 TER END