PFRMAT TS TARGET T0307 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 8 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 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 METHOD Model 1 is try24-opt2, optimized from a 4-helix bundle hand-built by ProteinShop. METHOD Model 2 is try26-opt2, edited then ptimized from a model built from METHOD alignments (probably mainly 1afvA). METHOD Model 3 is try3-opt2, built from alignments (probably mainly 1ireA) METHOD Model 4 is try1-opt2, the fully automatic model (probably mainly from METHOD an alignment to 1yqyA). METHOD Model 5 is try25-opt2, optimized from ROBETTA_TS4, the best-scoring METHOD server model with our cost functions. METHOD REMARK 6 REMARK 6 T0307 model 4 Tue Jul 11 08:18:13 2006 MODEL 4 PARENT 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A REMARK 7 REMARK 7 ALLPARENTS 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A 1a2x_A 1uhn_A REMARK 7 ALLPARENTS 2mys_B 1tn4 1ncx 1top 2ccm_A 1mvw_B 1pva_A REMARK 7 ALLPARENTS 1jk0_A 1afv_A 1jip_A 1go3_F 1osa 2scp_A 1aj4 REMARK 7 ALLPARENTS 1wdc_B 1eup_A 1yqy_A ATOM 1 N MET 1 16.920 -6.017 3.150 1.00 0.00 ATOM 2 CA MET 1 18.064 -5.115 3.494 1.00 0.00 ATOM 3 CB MET 1 18.287 -5.064 5.004 1.00 0.00 ATOM 4 CG MET 1 18.831 -3.730 5.523 1.00 0.00 ATOM 5 SD MET 1 20.482 -3.867 6.239 1.00 0.00 ATOM 6 CE MET 1 20.107 -4.592 7.814 1.00 0.00 ATOM 7 O MET 1 19.464 -6.832 2.499 1.00 0.00 ATOM 8 C MET 1 19.313 -5.626 2.783 1.00 0.00 ATOM 9 N GLY 2 20.128 -4.699 2.318 1.00 0.00 ATOM 10 CA GLY 2 21.235 -5.063 1.474 1.00 0.00 ATOM 11 O GLY 2 19.833 -4.446 -0.355 1.00 0.00 ATOM 12 C GLY 2 20.903 -4.907 0.030 1.00 0.00 ATOM 13 N LEU 3 21.938 -5.254 -0.849 1.00 0.00 ATOM 14 CA LEU 3 21.855 -5.040 -2.258 1.00 0.00 ATOM 15 CB LEU 3 23.223 -5.240 -2.913 1.00 0.00 ATOM 16 CG LEU 3 24.290 -4.192 -2.590 1.00 0.00 ATOM 17 CD1 LEU 3 25.640 -4.607 -3.153 1.00 0.00 ATOM 18 CD2 LEU 3 23.917 -2.844 -3.187 1.00 0.00 ATOM 19 O LEU 3 20.091 -5.607 -3.812 1.00 0.00 ATOM 20 C LEU 3 20.862 -5.964 -2.897 1.00 0.00 ATOM 21 N GLY 4 20.859 -7.241 -2.500 1.00 0.00 ATOM 22 CA GLY 4 19.963 -8.239 -3.055 1.00 0.00 ATOM 23 O GLY 4 17.692 -7.927 -3.755 1.00 0.00 ATOM 24 C GLY 4 18.520 -7.820 -2.845 1.00 0.00 ATOM 25 N ARG 5 18.209 -7.335 -1.644 1.00 0.00 ATOM 26 CA ARG 5 16.853 -6.900 -1.344 1.00 0.00 ATOM 27 CB ARG 5 16.716 -6.554 0.139 1.00 0.00 ATOM 28 CG ARG 5 15.298 -6.216 0.571 1.00 0.00 ATOM 29 CD ARG 5 14.370 -7.407 0.395 1.00 0.00 ATOM 30 NE ARG 5 14.803 -8.559 1.180 1.00 0.00 ATOM 31 CZ ARG 5 14.549 -8.719 2.475 1.00 0.00 ATOM 32 NH1 ARG 5 14.985 -9.802 3.107 1.00 0.00 ATOM 33 NH2 ARG 5 13.862 -7.798 3.135 1.00 0.00 ATOM 34 O ARG 5 15.402 -5.566 -2.691 1.00 0.00 ATOM 35 C ARG 5 16.505 -5.679 -2.158 1.00 0.00 ATOM 36 N GLN 6 17.430 -4.770 -2.278 1.00 0.00 ATOM 37 CA GLN 6 17.252 -3.525 -3.054 1.00 0.00 ATOM 38 CB GLN 6 18.494 -2.638 -2.935 1.00 0.00 ATOM 39 CG GLN 6 18.681 -2.013 -1.563 1.00 0.00 ATOM 40 CD GLN 6 19.977 -1.236 -1.449 1.00 0.00 ATOM 41 OE1 GLN 6 20.792 -1.230 -2.370 1.00 0.00 ATOM 42 NE2 GLN 6 20.171 -0.574 -0.312 1.00 0.00 ATOM 43 O GLN 6 16.189 -3.357 -5.293 1.00 0.00 ATOM 44 C GLN 6 17.019 -3.913 -4.533 1.00 0.00 ATOM 45 N SER 7 17.789 -4.900 -4.998 1.00 0.00 ATOM 46 CA SER 7 17.720 -5.426 -6.379 1.00 0.00 ATOM 47 CB SER 7 18.768 -6.520 -6.589 1.00 0.00 ATOM 48 OG SER 7 20.080 -5.991 -6.512 1.00 0.00 ATOM 49 O SER 7 15.750 -5.757 -7.711 1.00 0.00 ATOM 50 C SER 7 16.345 -6.016 -6.661 1.00 0.00 ATOM 51 N LEU 8 15.751 -6.857 -5.710 1.00 0.00 ATOM 52 CA LEU 8 14.439 -7.478 -5.857 1.00 0.00 ATOM 53 CB LEU 8 14.160 -8.424 -4.688 1.00 0.00 ATOM 54 CG LEU 8 14.998 -9.704 -4.637 1.00 0.00 ATOM 55 CD1 LEU 8 14.749 -10.456 -3.339 1.00 0.00 ATOM 56 CD2 LEU 8 14.644 -10.624 -5.795 1.00 0.00 ATOM 57 O LEU 8 12.442 -6.453 -6.710 1.00 0.00 ATOM 58 C LEU 8 13.368 -6.393 -5.900 1.00 0.00 ATOM 59 N ASN 9 13.509 -5.419 -5.024 1.00 0.00 ATOM 60 CA ASN 9 12.557 -4.319 -4.967 1.00 0.00 ATOM 61 CB ASN 9 12.898 -3.380 -3.809 1.00 0.00 ATOM 62 CG ASN 9 12.580 -3.984 -2.456 1.00 0.00 ATOM 63 ND2 ASN 9 13.214 -3.461 -1.412 1.00 0.00 ATOM 64 OD1 ASN 9 11.776 -4.910 -2.351 1.00 0.00 ATOM 65 O ASN 9 11.561 -3.082 -6.722 1.00 0.00 ATOM 66 C ASN 9 12.598 -3.520 -6.303 1.00 0.00 ATOM 67 N ILE 10 13.788 -3.335 -6.890 1.00 0.00 ATOM 68 CA ILE 10 13.873 -2.558 -8.155 1.00 0.00 ATOM 69 CB ILE 10 15.354 -2.401 -8.590 1.00 0.00 ATOM 70 CG1 ILE 10 16.097 -1.517 -7.590 1.00 0.00 ATOM 71 CG2 ILE 10 15.430 -1.782 -9.984 1.00 0.00 ATOM 72 CD1 ILE 10 17.605 -1.474 -7.806 1.00 0.00 ATOM 73 O ILE 10 12.292 -2.622 -9.983 1.00 0.00 ATOM 74 C ILE 10 13.049 -3.269 -9.244 1.00 0.00 ATOM 75 N MET 11 13.208 -4.651 -9.304 1.00 0.00 ATOM 76 CA MET 11 12.451 -5.403 -10.303 1.00 0.00 ATOM 77 CB MET 11 12.775 -6.894 -10.211 1.00 0.00 ATOM 78 CG MET 11 14.183 -7.252 -10.658 1.00 0.00 ATOM 79 SD MET 11 14.493 -6.836 -12.386 1.00 0.00 ATOM 80 CE MET 11 13.437 -8.022 -13.214 1.00 0.00 ATOM 81 O MET 11 10.189 -4.983 -11.053 1.00 0.00 ATOM 82 C MET 11 10.942 -5.222 -10.095 1.00 0.00 ATOM 83 N THR 12 10.528 -5.324 -8.836 1.00 0.00 ATOM 84 CA THR 12 9.120 -5.196 -8.499 1.00 0.00 ATOM 85 CB THR 12 8.855 -5.567 -7.028 1.00 0.00 ATOM 86 CG2 THR 12 7.382 -5.392 -6.691 1.00 0.00 ATOM 87 OG1 THR 12 9.224 -6.932 -6.801 1.00 0.00 ATOM 88 O THR 12 7.552 -3.527 -9.162 1.00 0.00 ATOM 89 C THR 12 8.662 -3.764 -8.721 1.00 0.00 ATOM 90 N PHE 13 9.516 -2.799 -8.425 1.00 0.00 ATOM 91 CA PHE 13 9.175 -1.389 -8.620 1.00 0.00 ATOM 92 CB PHE 13 9.625 -0.557 -7.417 1.00 0.00 ATOM 93 CG PHE 13 8.870 -0.861 -6.155 1.00 0.00 ATOM 94 CD1 PHE 13 9.370 -1.761 -5.231 1.00 0.00 ATOM 95 CD2 PHE 13 7.658 -0.245 -5.890 1.00 0.00 ATOM 96 CE1 PHE 13 8.677 -2.039 -4.069 1.00 0.00 ATOM 97 CE2 PHE 13 6.965 -0.524 -4.727 1.00 0.00 ATOM 98 CZ PHE 13 7.468 -1.417 -3.819 1.00 0.00 ATOM 99 O PHE 13 11.039 -0.909 -10.038 1.00 0.00 ATOM 100 C PHE 13 9.873 -0.719 -9.822 1.00 0.00 ATOM 101 N SER 14 9.126 0.064 -10.549 1.00 0.00 ATOM 102 CA SER 14 9.651 0.852 -11.644 1.00 0.00 ATOM 103 CB SER 14 8.540 1.349 -12.571 1.00 0.00 ATOM 104 OG SER 14 7.776 2.369 -11.949 1.00 0.00 ATOM 105 O SER 14 10.323 2.322 -9.874 1.00 0.00 ATOM 106 C SER 14 10.428 2.028 -11.068 1.00 0.00 ATOM 107 N GLY 15 11.187 2.721 -11.911 1.00 0.00 ATOM 108 CA GLY 15 11.963 3.850 -11.428 1.00 0.00 ATOM 109 O GLY 15 11.501 5.577 -9.818 1.00 0.00 ATOM 110 C GLY 15 11.107 4.966 -10.818 1.00 0.00 ATOM 111 N GLN 16 9.954 5.252 -11.418 1.00 0.00 ATOM 112 CA GLN 16 9.109 6.304 -10.863 1.00 0.00 ATOM 113 CB GLN 16 7.906 6.561 -11.772 1.00 0.00 ATOM 114 CG GLN 16 8.255 7.250 -13.083 1.00 0.00 ATOM 115 CD GLN 16 7.052 7.419 -13.988 1.00 0.00 ATOM 116 OE1 GLN 16 5.948 6.984 -13.661 1.00 0.00 ATOM 117 NE2 GLN 16 7.263 8.053 -15.136 1.00 0.00 ATOM 118 O GLN 16 8.565 6.772 -8.571 1.00 0.00 ATOM 119 C GLN 16 8.616 5.927 -9.464 1.00 0.00 ATOM 120 N GLU 17 8.245 4.653 -9.276 1.00 0.00 ATOM 121 CA GLU 17 7.790 4.168 -7.979 1.00 0.00 ATOM 122 CB GLU 17 7.364 2.703 -8.077 1.00 0.00 ATOM 123 CG GLU 17 6.108 2.473 -8.902 1.00 0.00 ATOM 124 CD GLU 17 5.787 1.005 -9.080 1.00 0.00 ATOM 125 OE1 GLU 17 6.585 0.162 -8.620 1.00 0.00 ATOM 126 OE2 GLU 17 4.736 0.694 -9.680 1.00 0.00 ATOM 127 O GLU 17 8.726 4.692 -5.832 1.00 0.00 ATOM 128 C GLU 17 8.935 4.269 -6.968 1.00 0.00 ATOM 129 N LEU 18 10.122 3.896 -7.396 1.00 0.00 ATOM 130 CA LEU 18 11.295 3.980 -6.521 1.00 0.00 ATOM 131 CB LEU 18 12.537 3.353 -7.160 1.00 0.00 ATOM 132 CG LEU 18 12.507 1.836 -7.353 1.00 0.00 ATOM 133 CD1 LEU 18 13.727 1.369 -8.133 1.00 0.00 ATOM 134 CD2 LEU 18 12.501 1.122 -6.010 1.00 0.00 ATOM 135 O LEU 18 12.046 5.722 -5.045 1.00 0.00 ATOM 136 C LEU 18 11.598 5.430 -6.156 1.00 0.00 ATOM 137 N THR 19 11.348 6.354 -7.092 1.00 0.00 ATOM 138 CA THR 19 11.589 7.769 -6.829 1.00 0.00 ATOM 139 CB THR 19 11.502 8.563 -8.117 1.00 0.00 ATOM 140 CG2 THR 19 11.748 10.090 -7.916 1.00 0.00 ATOM 141 OG1 THR 19 12.550 8.108 -8.976 1.00 0.00 ATOM 142 O THR 19 10.982 8.982 -4.839 1.00 0.00 ATOM 143 C THR 19 10.610 8.244 -5.754 1.00 0.00 ATOM 144 N ALA 20 9.377 7.809 -5.870 1.00 0.00 ATOM 145 CA ALA 20 8.361 8.183 -4.893 1.00 0.00 ATOM 146 CB ALA 20 7.013 7.579 -5.259 1.00 0.00 ATOM 147 O ALA 20 8.798 8.475 -2.552 1.00 0.00 ATOM 148 C ALA 20 8.790 7.704 -3.514 1.00 0.00 ATOM 149 N ILE 21 9.151 6.426 -3.431 1.00 0.00 ATOM 150 CA ILE 21 9.592 5.826 -2.181 1.00 0.00 ATOM 151 CB ILE 21 9.931 4.335 -2.360 1.00 0.00 ATOM 152 CG1 ILE 21 8.665 3.535 -2.672 1.00 0.00 ATOM 153 CG2 ILE 21 10.555 3.774 -1.091 1.00 0.00 ATOM 154 CD1 ILE 21 8.935 2.116 -3.123 1.00 0.00 ATOM 155 O ILE 21 10.961 6.750 -0.436 1.00 0.00 ATOM 156 C ILE 21 10.842 6.521 -1.633 1.00 0.00 ATOM 157 N ILE 22 11.766 6.843 -2.529 1.00 0.00 ATOM 158 CA ILE 22 13.024 7.483 -2.152 1.00 0.00 ATOM 159 CB ILE 22 13.966 7.648 -3.324 1.00 0.00 ATOM 160 CG1 ILE 22 14.347 6.268 -3.860 1.00 0.00 ATOM 161 CG2 ILE 22 15.219 8.489 -2.960 1.00 0.00 ATOM 162 CD1 ILE 22 14.889 5.238 -2.896 1.00 0.00 ATOM 163 O ILE 22 13.315 9.198 -0.502 1.00 0.00 ATOM 164 C ILE 22 12.803 8.868 -1.576 1.00 0.00 ATOM 165 N LYS 23 12.039 9.683 -2.291 1.00 0.00 ATOM 166 CA LYS 23 11.738 11.025 -1.824 1.00 0.00 ATOM 167 CB LYS 23 10.782 11.727 -2.790 1.00 0.00 ATOM 168 CG LYS 23 11.408 12.093 -4.126 1.00 0.00 ATOM 169 CD LYS 23 10.406 12.787 -5.034 1.00 0.00 ATOM 170 CE LYS 23 11.025 13.131 -6.379 1.00 0.00 ATOM 171 NZ LYS 23 10.045 13.782 -7.291 1.00 0.00 ATOM 172 O LYS 23 11.386 11.787 0.426 1.00 0.00 ATOM 173 C LYS 23 11.088 10.972 -0.448 1.00 0.00 ATOM 174 N MET 24 10.176 10.004 -0.227 1.00 0.00 ATOM 175 CA MET 24 9.495 9.859 1.051 1.00 0.00 ATOM 176 CB MET 24 8.398 8.794 0.989 1.00 0.00 ATOM 177 CG MET 24 7.195 9.190 0.148 1.00 0.00 ATOM 178 SD MET 24 6.365 10.663 0.772 1.00 0.00 ATOM 179 CE MET 24 5.677 10.041 2.304 1.00 0.00 ATOM 180 O MET 24 10.293 9.829 3.310 1.00 0.00 ATOM 181 C MET 24 10.440 9.413 2.161 1.00 0.00 ATOM 182 N ALA 25 11.391 8.576 1.810 1.00 0.00 ATOM 183 CA ALA 25 12.343 8.118 2.812 1.00 0.00 ATOM 184 CB ALA 25 13.343 7.180 2.154 1.00 0.00 ATOM 185 O ALA 25 13.302 9.417 4.566 1.00 0.00 ATOM 186 C ALA 25 13.103 9.337 3.355 1.00 0.00 ATOM 187 N LYS 26 13.513 10.219 2.472 1.00 0.00 ATOM 188 CA LYS 26 14.240 11.414 2.923 1.00 0.00 ATOM 189 CB LYS 26 14.821 12.087 1.669 1.00 0.00 ATOM 190 CG LYS 26 15.903 11.232 1.020 1.00 0.00 ATOM 191 CD LYS 26 16.439 11.847 -0.252 1.00 0.00 ATOM 192 CE LYS 26 17.501 12.904 -0.008 1.00 0.00 ATOM 193 NZ LYS 26 18.395 13.121 -1.185 1.00 0.00 ATOM 194 O LYS 26 13.799 12.949 4.736 1.00 0.00 ATOM 195 C LYS 26 13.365 12.378 3.721 1.00 0.00 ATOM 196 N SER 27 12.147 12.591 3.243 1.00 0.00 ATOM 197 CA SER 27 11.195 13.448 3.953 1.00 0.00 ATOM 198 CB SER 27 9.873 13.547 3.262 1.00 0.00 ATOM 199 OG SER 27 9.220 12.316 3.191 1.00 0.00 ATOM 200 O SER 27 10.921 13.623 6.341 1.00 0.00 ATOM 201 C SER 27 10.961 12.890 5.354 1.00 0.00 ATOM 202 N MET 28 10.775 11.505 5.517 1.00 0.00 ATOM 203 CA MET 28 10.537 10.902 6.824 1.00 0.00 ATOM 204 CB MET 28 10.141 9.432 6.672 1.00 0.00 ATOM 205 CG MET 28 8.766 9.221 6.057 1.00 0.00 ATOM 206 SD MET 28 8.236 7.498 6.117 1.00 0.00 ATOM 207 CE MET 28 9.247 6.788 4.820 1.00 0.00 ATOM 208 O MET 28 11.580 10.852 8.981 1.00 0.00 ATOM 209 C MET 28 11.725 10.928 7.746 1.00 0.00 ATOM 210 N VAL 29 12.906 10.940 7.135 1.00 0.00 ATOM 211 CA VAL 29 14.151 10.939 7.889 1.00 0.00 ATOM 212 CB VAL 29 15.340 10.501 7.015 1.00 0.00 ATOM 213 CG1 VAL 29 16.611 10.420 7.847 1.00 0.00 ATOM 214 CG2 VAL 29 15.077 9.132 6.406 1.00 0.00 ATOM 215 O VAL 29 15.117 13.118 7.764 1.00 0.00 ATOM 216 C VAL 29 14.410 12.328 8.394 1.00 0.00 ATOM 217 N MET 30 13.779 12.603 9.528 1.00 0.00 ATOM 218 CA MET 30 13.839 13.872 10.230 1.00 0.00 ATOM 219 CB MET 30 13.076 13.789 11.553 1.00 0.00 ATOM 220 CG MET 30 13.048 15.089 12.337 1.00 0.00 ATOM 221 SD MET 30 12.226 14.923 13.934 1.00 0.00 ATOM 222 CE MET 30 13.376 13.854 14.796 1.00 0.00 ATOM 223 O MET 30 15.706 15.407 10.155 1.00 0.00 ATOM 224 C MET 30 15.266 14.336 10.585 1.00 0.00 ATOM 225 N ALA 31 15.992 13.513 11.337 1.00 0.00 ATOM 226 CA ALA 31 17.352 13.859 11.742 1.00 0.00 ATOM 227 CB ALA 31 17.788 12.999 12.920 1.00 0.00 ATOM 228 O ALA 31 19.596 13.841 10.865 1.00 0.00 ATOM 229 C ALA 31 18.391 13.662 10.654 1.00 0.00 ATOM 230 N ASP 32 17.892 13.306 9.457 1.00 0.00 ATOM 231 CA ASP 32 18.677 13.103 8.255 1.00 0.00 ATOM 232 CB ASP 32 19.258 14.430 7.765 1.00 0.00 ATOM 233 CG ASP 32 18.186 15.420 7.355 1.00 0.00 ATOM 234 OD1 ASP 32 17.280 15.032 6.587 1.00 0.00 ATOM 235 OD2 ASP 32 18.250 16.585 7.803 1.00 0.00 ATOM 236 O ASP 32 20.903 12.205 8.020 1.00 0.00 ATOM 237 C ASP 32 19.812 12.119 8.590 1.00 0.00 ATOM 238 N GLY 33 19.510 11.157 9.482 1.00 0.00 ATOM 239 CA GLY 33 20.453 10.106 9.926 1.00 0.00 ATOM 240 O GLY 33 21.213 7.951 9.416 1.00 0.00 ATOM 241 C GLY 33 20.491 8.887 9.064 1.00 0.00 ATOM 242 N LYS 34 19.718 9.187 7.895 1.00 0.00 ATOM 243 CA LYS 34 19.670 8.182 6.847 1.00 0.00 ATOM 244 CB LYS 34 21.084 7.803 6.404 1.00 0.00 ATOM 245 CG LYS 34 21.861 8.942 5.763 1.00 0.00 ATOM 246 CD LYS 34 23.283 8.521 5.430 1.00 0.00 ATOM 247 CE LYS 34 24.066 9.666 4.808 1.00 0.00 ATOM 248 NZ LYS 34 25.467 9.275 4.493 1.00 0.00 ATOM 249 O LYS 34 18.875 5.978 6.412 1.00 0.00 ATOM 250 C LYS 34 18.943 6.903 7.232 1.00 0.00 ATOM 251 N ILE 35 18.434 6.872 8.473 1.00 0.00 ATOM 252 CA ILE 35 17.699 5.767 9.081 1.00 0.00 ATOM 253 CB ILE 35 18.584 5.021 10.096 1.00 0.00 ATOM 254 CG1 ILE 35 19.823 4.449 9.404 1.00 0.00 ATOM 255 CG2 ILE 35 17.815 3.875 10.733 1.00 0.00 ATOM 256 CD1 ILE 35 20.830 3.845 10.356 1.00 0.00 ATOM 257 O ILE 35 16.684 7.277 10.613 1.00 0.00 ATOM 258 C ILE 35 16.498 6.391 9.778 1.00 0.00 ATOM 259 N LYS 36 15.325 5.910 9.501 1.00 0.00 ATOM 260 CA LYS 36 14.106 6.361 10.185 1.00 0.00 ATOM 261 CB LYS 36 12.873 6.072 9.327 1.00 0.00 ATOM 262 CG LYS 36 11.568 6.565 9.931 1.00 0.00 ATOM 263 CD LYS 36 10.394 6.300 9.002 1.00 0.00 ATOM 264 CE LYS 36 9.090 6.794 9.605 1.00 0.00 ATOM 265 NZ LYS 36 7.930 6.539 8.706 1.00 0.00 ATOM 266 O LYS 36 13.776 4.482 11.633 1.00 0.00 ATOM 267 C LYS 36 13.848 5.707 11.526 1.00 0.00 ATOM 268 N PRO 37 13.654 6.495 12.482 1.00 0.00 ATOM 269 CA PRO 37 13.365 5.995 13.816 1.00 0.00 ATOM 270 CB PRO 37 13.694 7.184 14.710 1.00 0.00 ATOM 271 CG PRO 37 14.820 7.848 13.976 1.00 0.00 ATOM 272 CD PRO 37 14.339 7.810 12.544 1.00 0.00 ATOM 273 O PRO 37 11.013 6.221 13.375 1.00 0.00 ATOM 274 C PRO 37 11.885 5.799 14.133 1.00 0.00 ATOM 275 N ALA 38 11.694 5.192 15.308 1.00 0.00 ATOM 276 CA ALA 38 10.325 4.946 15.739 1.00 0.00 ATOM 277 CB ALA 38 10.312 4.132 17.023 1.00 0.00 ATOM 278 O ALA 38 8.527 6.546 15.594 1.00 0.00 ATOM 279 C ALA 38 9.670 6.315 15.986 1.00 0.00 ATOM 280 N GLU 39 10.411 7.228 16.614 1.00 0.00 ATOM 281 CA GLU 39 9.903 8.574 16.886 1.00 0.00 ATOM 282 CB GLU 39 10.920 9.376 17.700 1.00 0.00 ATOM 283 CG GLU 39 11.063 8.916 19.142 1.00 0.00 ATOM 284 CD GLU 39 12.163 9.648 19.882 1.00 0.00 ATOM 285 OE1 GLU 39 12.865 10.465 19.248 1.00 0.00 ATOM 286 OE2 GLU 39 12.325 9.408 21.098 1.00 0.00 ATOM 287 O GLU 39 8.645 10.078 15.422 1.00 0.00 ATOM 288 C GLU 39 9.630 9.351 15.612 1.00 0.00 ATOM 289 N ILE 40 10.503 9.175 14.583 1.00 0.00 ATOM 290 CA ILE 40 10.333 9.781 13.228 1.00 0.00 ATOM 291 CB ILE 40 11.512 9.401 12.317 1.00 0.00 ATOM 292 CG1 ILE 40 12.747 10.209 12.739 1.00 0.00 ATOM 293 CG2 ILE 40 11.151 9.638 10.845 1.00 0.00 ATOM 294 CD1 ILE 40 14.023 9.812 12.040 1.00 0.00 ATOM 295 O ILE 40 8.200 10.005 12.128 1.00 0.00 ATOM 296 C ILE 40 9.019 9.247 12.662 1.00 0.00 ATOM 297 N ALA 41 8.801 7.957 12.832 1.00 0.00 ATOM 298 CA ALA 41 7.571 7.316 12.376 1.00 0.00 ATOM 299 CB ALA 41 7.633 5.816 12.619 1.00 0.00 ATOM 300 O ALA 41 5.312 8.206 12.484 1.00 0.00 ATOM 301 C ALA 41 6.321 7.850 13.105 1.00 0.00 ATOM 302 N VAL 42 6.412 7.903 14.431 1.00 0.00 ATOM 303 CA VAL 42 5.332 8.368 15.284 1.00 0.00 ATOM 304 CB VAL 42 5.640 8.115 16.772 1.00 0.00 ATOM 305 CG1 VAL 42 4.504 8.627 17.646 1.00 0.00 ATOM 306 CG2 VAL 42 5.813 6.626 17.034 1.00 0.00 ATOM 307 O VAL 42 4.061 10.431 15.193 1.00 0.00 ATOM 308 C VAL 42 5.136 9.861 14.967 1.00 0.00 ATOM 309 N MET 43 6.288 10.511 14.441 1.00 0.00 ATOM 310 CA MET 43 6.207 11.923 14.084 1.00 0.00 ATOM 311 CB MET 43 7.439 12.429 13.327 1.00 0.00 ATOM 312 CG MET 43 7.448 13.929 13.090 1.00 0.00 ATOM 313 SD MET 43 7.537 14.876 14.623 1.00 0.00 ATOM 314 CE MET 43 9.224 14.551 15.125 1.00 0.00 ATOM 315 O MET 43 4.481 13.253 13.111 1.00 0.00 ATOM 316 C MET 43 4.981 12.135 13.210 1.00 0.00 ATOM 317 N THR 44 4.559 11.073 12.521 1.00 0.00 ATOM 318 CA THR 44 3.380 11.097 11.664 1.00 0.00 ATOM 319 CB THR 44 3.414 9.954 10.632 1.00 0.00 ATOM 320 CG2 THR 44 2.176 9.997 9.751 1.00 0.00 ATOM 321 OG1 THR 44 4.577 10.088 9.805 1.00 0.00 ATOM 322 O THR 44 2.285 10.057 13.511 1.00 0.00 ATOM 323 C THR 44 2.243 10.930 12.645 1.00 0.00 ATOM 324 N ARG 45 1.150 11.808 12.597 1.00 0.00 ATOM 325 CA ARG 45 -0.020 11.635 13.437 1.00 0.00 ATOM 326 CB ARG 45 -0.921 12.870 13.365 1.00 0.00 ATOM 327 CG ARG 45 -2.110 12.827 14.310 1.00 0.00 ATOM 328 CD ARG 45 -2.856 14.152 14.320 1.00 0.00 ATOM 329 NE ARG 45 -4.008 14.124 15.217 1.00 0.00 ATOM 330 CZ ARG 45 -4.893 15.110 15.328 1.00 0.00 ATOM 331 NH1 ARG 45 -5.910 14.996 16.170 1.00 0.00 ATOM 332 NH2 ARG 45 -4.758 16.206 14.594 1.00 0.00 ATOM 333 O ARG 45 -1.507 9.783 13.907 1.00 0.00 ATOM 334 C ARG 45 -0.882 10.434 13.051 1.00 0.00 ATOM 335 N GLU 46 -0.879 10.125 11.751 1.00 0.00 ATOM 336 CA GLU 46 -1.658 8.997 11.275 1.00 0.00 ATOM 337 CB GLU 46 -1.472 8.815 9.767 1.00 0.00 ATOM 338 CG GLU 46 -2.331 7.717 9.164 1.00 0.00 ATOM 339 CD GLU 46 -2.195 7.633 7.655 1.00 0.00 ATOM 340 OE1 GLU 46 -1.443 8.447 7.081 1.00 0.00 ATOM 341 OE2 GLU 46 -2.839 6.751 7.050 1.00 0.00 ATOM 342 O GLU 46 -2.046 6.897 12.456 1.00 0.00 ATOM 343 C GLU 46 -1.211 7.697 12.015 1.00 0.00 ATOM 344 N PHE 47 0.094 7.595 12.283 1.00 0.00 ATOM 345 CA PHE 47 0.690 6.448 12.974 1.00 0.00 ATOM 346 CB PHE 47 2.208 6.441 12.779 1.00 0.00 ATOM 347 CG PHE 47 2.636 6.261 11.351 1.00 0.00 ATOM 348 CD1 PHE 47 1.792 5.663 10.432 1.00 0.00 ATOM 349 CD2 PHE 47 3.882 6.688 10.928 1.00 0.00 ATOM 350 CE1 PHE 47 2.186 5.496 9.118 1.00 0.00 ATOM 351 CE2 PHE 47 4.277 6.521 9.613 1.00 0.00 ATOM 352 CZ PHE 47 3.434 5.928 8.710 1.00 0.00 ATOM 353 O PHE 47 0.404 5.287 15.077 1.00 0.00 ATOM 354 C PHE 47 0.466 6.376 14.488 1.00 0.00 ATOM 355 N MET 48 0.369 7.519 15.048 1.00 0.00 ATOM 356 CA MET 48 0.167 7.565 16.499 1.00 0.00 ATOM 357 CB MET 48 0.064 9.014 16.979 1.00 0.00 ATOM 358 CG MET 48 1.374 9.781 16.924 1.00 0.00 ATOM 359 SD MET 48 1.199 11.495 17.458 1.00 0.00 ATOM 360 CE MET 48 0.950 11.278 19.218 1.00 0.00 ATOM 361 O MET 48 -1.224 6.461 18.082 1.00 0.00 ATOM 362 C MET 48 -1.139 6.835 16.893 1.00 0.00 ATOM 363 N ARG 49 -2.040 6.617 15.945 1.00 0.00 ATOM 364 CA ARG 49 -3.369 6.038 16.224 1.00 0.00 ATOM 365 CB ARG 49 -4.396 7.414 15.876 1.00 0.00 ATOM 366 CG ARG 49 -4.607 7.381 14.388 1.00 0.00 ATOM 367 CD ARG 49 -5.518 8.539 13.986 1.00 0.00 ATOM 368 NE ARG 49 -6.932 8.249 14.220 1.00 0.00 ATOM 369 CZ ARG 49 -7.876 9.178 14.358 1.00 0.00 ATOM 370 NH1 ARG 49 -7.558 10.466 14.295 1.00 0.00 ATOM 371 NH2 ARG 49 -9.143 8.822 14.545 1.00 0.00 ATOM 372 O ARG 49 -4.652 4.074 15.585 1.00 0.00 ATOM 373 C ARG 49 -3.529 4.568 15.777 1.00 0.00 ATOM 374 N PHE 50 -2.389 3.945 15.566 1.00 0.00 ATOM 375 CA PHE 50 -2.255 2.534 15.163 1.00 0.00 ATOM 376 CB PHE 50 -1.344 2.335 14.197 1.00 0.00 ATOM 377 CG PHE 50 -2.211 2.342 12.962 1.00 0.00 ATOM 378 CD1 PHE 50 -3.293 1.480 12.849 1.00 0.00 ATOM 379 CD2 PHE 50 -1.932 3.209 11.903 1.00 0.00 ATOM 380 CE1 PHE 50 -4.086 1.472 11.705 1.00 0.00 ATOM 381 CE2 PHE 50 -2.723 3.212 10.748 1.00 0.00 ATOM 382 CZ PHE 50 -3.798 2.347 10.643 1.00 0.00 ATOM 383 O PHE 50 -0.587 2.175 16.836 1.00 0.00 ATOM 384 C PHE 50 -1.695 1.864 16.407 1.00 0.00 ATOM 385 N GLY 51 -2.472 0.968 17.047 1.00 0.00 ATOM 386 CA GLY 51 -2.034 0.255 18.232 1.00 0.00 ATOM 387 O GLY 51 -0.059 -1.057 18.491 1.00 0.00 ATOM 388 C GLY 51 -0.871 -0.574 17.722 1.00 0.00 ATOM 389 N ILE 52 -0.846 -0.857 16.353 1.00 0.00 ATOM 390 CA ILE 52 0.140 -1.727 15.735 1.00 0.00 ATOM 391 CB ILE 52 -0.424 -2.597 14.598 1.00 0.00 ATOM 392 CG1 ILE 52 -0.970 -1.715 13.472 1.00 0.00 ATOM 393 CG2 ILE 52 -1.554 -3.477 15.110 1.00 0.00 ATOM 394 CD1 ILE 52 -1.353 -2.483 12.226 1.00 0.00 ATOM 395 O ILE 52 2.123 -1.628 14.406 1.00 0.00 ATOM 396 C ILE 52 1.328 -0.983 15.099 1.00 0.00 ATOM 397 N LEU 53 1.481 0.328 15.384 1.00 0.00 ATOM 398 CA LEU 53 2.579 1.161 14.832 1.00 0.00 ATOM 399 CB LEU 53 2.449 2.607 15.315 1.00 0.00 ATOM 400 CG LEU 53 3.511 3.586 14.811 1.00 0.00 ATOM 401 CD1 LEU 53 3.468 3.694 13.294 1.00 0.00 ATOM 402 CD2 LEU 53 3.280 4.974 15.392 1.00 0.00 ATOM 403 O LEU 53 4.876 0.579 14.379 1.00 0.00 ATOM 404 C LEU 53 3.971 0.666 15.214 1.00 0.00 ATOM 405 N GLN 54 4.114 0.337 16.451 1.00 0.00 ATOM 406 CA GLN 54 5.387 -0.198 16.934 1.00 0.00 ATOM 407 CB GLN 54 5.420 -0.412 18.449 1.00 0.00 ATOM 408 CG GLN 54 5.399 0.875 19.257 1.00 0.00 ATOM 409 CD GLN 54 5.319 0.623 20.750 1.00 0.00 ATOM 410 OE1 GLN 54 5.178 -0.517 21.190 1.00 0.00 ATOM 411 NE2 GLN 54 5.412 1.691 21.534 1.00 0.00 ATOM 412 O GLN 54 6.819 -1.800 15.869 1.00 0.00 ATOM 413 C GLN 54 5.686 -1.540 16.277 1.00 0.00 ATOM 414 N ASP 55 4.674 -2.351 16.195 1.00 0.00 ATOM 415 CA ASP 55 4.846 -3.659 15.575 1.00 0.00 ATOM 416 CB ASP 55 3.534 -4.446 15.593 1.00 0.00 ATOM 417 CG ASP 55 3.191 -4.976 16.971 1.00 0.00 ATOM 418 OD1 ASP 55 4.071 -4.941 17.857 1.00 0.00 ATOM 419 OD2 ASP 55 2.041 -5.423 17.167 1.00 0.00 ATOM 420 O ASP 55 6.152 -4.256 13.652 1.00 0.00 ATOM 421 C ASP 55 5.282 -3.512 14.109 1.00 0.00 ATOM 422 N GLN 56 4.650 -2.584 13.363 1.00 0.00 ATOM 423 CA GLN 56 5.004 -2.348 11.962 1.00 0.00 ATOM 424 CB GLN 56 4.023 -1.366 11.319 1.00 0.00 ATOM 425 CG GLN 56 2.627 -1.928 11.114 1.00 0.00 ATOM 426 CD GLN 56 1.655 -0.894 10.578 1.00 0.00 ATOM 427 OE1 GLN 56 1.994 0.282 10.451 1.00 0.00 ATOM 428 NE2 GLN 56 0.441 -1.332 10.264 1.00 0.00 ATOM 429 O GLN 56 7.215 -2.216 10.974 1.00 0.00 ATOM 430 C GLN 56 6.415 -1.758 11.780 1.00 0.00 ATOM 431 N VAL 57 6.836 -0.763 12.624 1.00 0.00 ATOM 432 CA VAL 57 8.199 -0.241 12.599 1.00 0.00 ATOM 433 CB VAL 57 8.398 0.868 13.648 1.00 0.00 ATOM 434 CG1 VAL 57 9.866 1.255 13.742 1.00 0.00 ATOM 435 CG2 VAL 57 7.598 2.106 13.272 1.00 0.00 ATOM 436 O VAL 57 10.210 -1.498 12.202 1.00 0.00 ATOM 437 C VAL 57 9.208 -1.359 12.899 1.00 0.00 ATOM 438 N ASP 58 8.925 -2.229 13.891 1.00 0.00 ATOM 439 CA ASP 58 9.820 -3.331 14.214 1.00 0.00 ATOM 440 CB ASP 58 9.331 -4.069 15.462 1.00 0.00 ATOM 441 CG ASP 58 9.555 -3.272 16.733 1.00 0.00 ATOM 442 OD1 ASP 58 10.301 -2.272 16.684 1.00 0.00 ATOM 443 OD2 ASP 58 8.984 -3.649 17.779 1.00 0.00 ATOM 444 O ASP 58 11.045 -4.862 12.840 1.00 0.00 ATOM 445 C ASP 58 9.944 -4.368 13.107 1.00 0.00 ATOM 446 N LEU 59 8.832 -4.691 12.491 1.00 0.00 ATOM 447 CA LEU 59 8.891 -5.653 11.392 1.00 0.00 ATOM 448 CB LEU 59 7.483 -5.978 10.887 1.00 0.00 ATOM 449 CG LEU 59 6.586 -6.766 11.845 1.00 0.00 ATOM 450 CD1 LEU 59 5.171 -6.863 11.296 1.00 0.00 ATOM 451 CD2 LEU 59 7.118 -8.178 12.040 1.00 0.00 ATOM 452 O LEU 59 10.598 -5.645 9.700 1.00 0.00 ATOM 453 C LEU 59 9.727 -5.007 10.288 1.00 0.00 ATOM 454 N LEU 60 9.469 -3.797 10.016 1.00 0.00 ATOM 455 CA LEU 60 10.234 -3.059 9.016 1.00 0.00 ATOM 456 CB LEU 60 9.567 -1.652 8.894 1.00 0.00 ATOM 457 CG LEU 60 10.275 -0.678 7.952 1.00 0.00 ATOM 458 CD1 LEU 60 10.313 -1.194 6.525 1.00 0.00 ATOM 459 CD2 LEU 60 9.543 0.672 8.007 1.00 0.00 ATOM 460 O LEU 60 12.584 -3.016 8.443 1.00 0.00 ATOM 461 C LEU 60 11.738 -3.011 9.335 1.00 0.00 ATOM 462 N LEU 61 12.008 -2.877 10.631 1.00 0.00 ATOM 463 CA LEU 61 13.390 -2.776 11.112 1.00 0.00 ATOM 464 CB LEU 61 13.445 -2.503 12.605 1.00 0.00 ATOM 465 CG LEU 61 12.857 -1.188 13.108 1.00 0.00 ATOM 466 CD1 LEU 61 13.088 -1.137 14.618 1.00 0.00 ATOM 467 CD2 LEU 61 13.562 -0.030 12.485 1.00 0.00 ATOM 468 O LEU 61 15.224 -4.060 10.247 1.00 0.00 ATOM 469 C LEU 61 14.109 -4.098 10.757 1.00 0.00 ATOM 470 N LYS 62 13.493 -5.243 11.051 1.00 0.00 ATOM 471 CA LYS 62 14.160 -6.517 10.785 1.00 0.00 ATOM 472 CB LYS 62 13.252 -7.688 11.169 1.00 0.00 ATOM 473 CG LYS 62 13.051 -7.852 12.665 1.00 0.00 ATOM 474 CD LYS 62 12.143 -9.032 12.975 1.00 0.00 ATOM 475 CE LYS 62 11.923 -9.182 14.471 1.00 0.00 ATOM 476 NZ LYS 62 11.008 -10.313 14.786 1.00 0.00 ATOM 477 O LYS 62 15.567 -7.165 8.949 1.00 0.00 ATOM 478 C LYS 62 14.497 -6.640 9.332 1.00 0.00 ATOM 479 N ALA 63 13.585 -6.232 8.486 1.00 0.00 ATOM 480 CA ALA 63 13.792 -6.264 7.050 1.00 0.00 ATOM 481 CB ALA 63 12.486 -5.840 6.368 1.00 0.00 ATOM 482 O ALA 63 15.739 -5.803 5.775 1.00 0.00 ATOM 483 C ALA 63 14.942 -5.409 6.636 1.00 0.00 ATOM 484 N SER 64 17.142 -3.443 12.399 1.00 0.00 ATOM 485 CA SER 64 17.913 -2.327 12.926 1.00 0.00 ATOM 486 CB SER 64 18.587 -1.556 11.789 1.00 0.00 ATOM 487 OG SER 64 19.284 -0.424 12.281 1.00 0.00 ATOM 488 O SER 64 15.745 -1.408 13.162 1.00 0.00 ATOM 489 C SER 64 16.870 -1.479 13.647 1.00 0.00 ATOM 490 N ASP 65 17.190 -0.845 14.791 1.00 0.00 ATOM 491 CA ASP 65 16.253 -0.108 15.588 1.00 0.00 ATOM 492 CB ASP 65 16.947 0.494 16.812 1.00 0.00 ATOM 493 CG ASP 65 17.294 -0.548 17.855 1.00 0.00 ATOM 494 OD1 ASP 65 16.821 -1.698 17.728 1.00 0.00 ATOM 495 OD2 ASP 65 18.040 -0.218 18.800 1.00 0.00 ATOM 496 O ASP 65 14.673 1.592 14.954 1.00 0.00 ATOM 497 C ASP 65 15.710 0.989 14.673 1.00 0.00 ATOM 498 N SER 66 16.362 1.208 13.546 1.00 0.00 ATOM 499 CA SER 66 15.937 2.202 12.570 1.00 0.00 ATOM 500 CB SER 66 16.997 3.296 12.423 1.00 0.00 ATOM 501 OG SER 66 17.206 3.971 13.652 1.00 0.00 ATOM 502 O SER 66 16.350 0.437 10.959 1.00 0.00 ATOM 503 C SER 66 15.743 1.490 11.239 1.00 0.00 ATOM 504 N ILE 67 14.976 2.131 10.387 1.00 0.00 ATOM 505 CA ILE 67 14.698 1.608 9.074 1.00 0.00 ATOM 506 CB ILE 67 13.205 1.738 8.717 1.00 0.00 ATOM 507 CG1 ILE 67 12.348 0.964 9.721 1.00 0.00 ATOM 508 CG2 ILE 67 12.939 1.183 7.327 1.00 0.00 ATOM 509 CD1 ILE 67 10.863 1.211 9.575 1.00 0.00 ATOM 510 O ILE 67 15.317 3.600 7.876 1.00 0.00 ATOM 511 C ILE 67 15.522 2.393 8.041 1.00 0.00 ATOM 512 N GLU 68 16.518 1.736 7.443 1.00 0.00 ATOM 513 CA GLU 68 17.344 2.362 6.423 1.00 0.00 ATOM 514 CB GLU 68 18.642 1.576 6.227 1.00 0.00 ATOM 515 CG GLU 68 19.555 1.575 7.444 1.00 0.00 ATOM 516 CD GLU 68 20.900 0.937 7.161 1.00 0.00 ATOM 517 OE1 GLU 68 20.926 -0.149 6.544 1.00 0.00 ATOM 518 OE2 GLU 68 21.931 1.524 7.554 1.00 0.00 ATOM 519 O GLU 68 15.450 1.956 5.047 1.00 0.00 ATOM 520 C GLU 68 16.588 2.401 5.085 1.00 0.00 ATOM 521 N ALA 69 17.094 2.961 3.891 1.00 0.00 ATOM 522 CA ALA 69 16.332 3.023 2.654 1.00 0.00 ATOM 523 CB ALA 69 17.103 3.793 1.594 1.00 0.00 ATOM 524 O ALA 69 14.915 1.411 1.593 1.00 0.00 ATOM 525 C ALA 69 16.022 1.654 2.076 1.00 0.00 ATOM 526 N SER 70 16.990 0.748 2.161 1.00 0.00 ATOM 527 CA SER 70 16.811 -0.601 1.674 1.00 0.00 ATOM 528 CB SER 70 18.064 -1.438 1.945 1.00 0.00 ATOM 529 OG SER 70 17.895 -2.769 1.490 1.00 0.00 ATOM 530 O SER 70 14.728 -1.848 1.745 1.00 0.00 ATOM 531 C SER 70 15.610 -1.260 2.382 1.00 0.00 ATOM 532 N GLN 71 15.573 -1.118 3.701 1.00 0.00 ATOM 533 CA GLN 71 14.512 -1.661 4.546 1.00 0.00 ATOM 534 CB GLN 71 14.841 -1.445 6.024 1.00 0.00 ATOM 535 CG GLN 71 15.999 -2.288 6.533 1.00 0.00 ATOM 536 CD GLN 71 16.366 -1.967 7.968 1.00 0.00 ATOM 537 OE1 GLN 71 15.824 -1.036 8.565 1.00 0.00 ATOM 538 NE2 GLN 71 17.292 -2.738 8.527 1.00 0.00 ATOM 539 O GLN 71 12.172 -1.681 4.188 1.00 0.00 ATOM 540 C GLN 71 13.187 -0.984 4.233 1.00 0.00 ATOM 541 N ALA 72 13.179 0.351 3.970 1.00 0.00 ATOM 542 CA ALA 72 11.925 1.047 3.690 1.00 0.00 ATOM 543 CB ALA 72 12.173 2.540 3.542 1.00 0.00 ATOM 544 O ALA 72 10.116 0.233 2.325 1.00 0.00 ATOM 545 C ALA 72 11.315 0.511 2.400 1.00 0.00 ATOM 546 N VAL 73 12.145 0.404 1.370 1.00 0.00 ATOM 547 CA VAL 73 11.688 -0.101 0.078 1.00 0.00 ATOM 548 CB VAL 73 12.815 -0.064 -0.971 1.00 0.00 ATOM 549 CG1 VAL 73 12.380 -0.775 -2.244 1.00 0.00 ATOM 550 CG2 VAL 73 13.173 1.371 -1.319 1.00 0.00 ATOM 551 O VAL 73 10.172 -1.866 -0.427 1.00 0.00 ATOM 552 C VAL 73 11.202 -1.544 0.203 1.00 0.00 ATOM 553 N ALA 74 11.931 -2.414 0.882 1.00 0.00 ATOM 554 CA ALA 74 11.524 -3.815 0.984 1.00 0.00 ATOM 555 CB ALA 74 12.592 -4.614 1.715 1.00 0.00 ATOM 556 O ALA 74 9.303 -4.642 1.346 1.00 0.00 ATOM 557 C ALA 74 10.204 -3.905 1.747 1.00 0.00 ATOM 558 N LEU 75 10.090 -3.149 2.838 1.00 0.00 ATOM 559 CA LEU 75 8.858 -3.172 3.623 1.00 0.00 ATOM 560 CB LEU 75 8.947 -2.328 4.912 1.00 0.00 ATOM 561 CG LEU 75 7.578 -2.080 5.560 1.00 0.00 ATOM 562 CD1 LEU 75 7.118 -3.279 6.362 1.00 0.00 ATOM 563 CD2 LEU 75 7.577 -0.879 6.476 1.00 0.00 ATOM 564 O LEU 75 6.626 -3.254 2.776 1.00 0.00 ATOM 565 C LEU 75 7.684 -2.666 2.802 1.00 0.00 ATOM 566 N ILE 76 7.860 -1.547 2.146 1.00 0.00 ATOM 567 CA ILE 76 6.777 -1.039 1.327 1.00 0.00 ATOM 568 CB ILE 76 7.151 0.301 0.665 1.00 0.00 ATOM 569 CG1 ILE 76 7.275 1.401 1.722 1.00 0.00 ATOM 570 CG2 ILE 76 6.087 0.715 -0.338 1.00 0.00 ATOM 571 CD1 ILE 76 7.890 2.681 1.201 1.00 0.00 ATOM 572 O ILE 76 5.242 -2.255 -0.071 1.00 0.00 ATOM 573 C ILE 76 6.430 -2.052 0.237 1.00 0.00 ATOM 574 N ALA 77 7.449 -2.766 -0.288 1.00 0.00 ATOM 575 CA ALA 77 7.229 -3.797 -1.317 1.00 0.00 ATOM 576 CB ALA 77 8.543 -4.487 -1.647 1.00 0.00 ATOM 577 O ALA 77 5.719 -5.648 -1.604 1.00 0.00 ATOM 578 C ALA 77 6.407 -4.980 -0.800 1.00 0.00 ATOM 579 N ARG 78 6.392 -5.222 0.515 1.00 0.00 ATOM 580 CA ARG 78 5.564 -6.304 1.056 1.00 0.00 ATOM 581 CB ARG 78 6.359 -7.006 2.254 1.00 0.00 ATOM 582 CG ARG 78 7.808 -7.331 1.951 1.00 0.00 ATOM 583 CD ARG 78 8.543 -8.006 3.143 1.00 0.00 ATOM 584 NE ARG 78 8.393 -9.470 3.073 1.00 0.00 ATOM 585 CZ ARG 78 9.152 -10.246 2.305 1.00 0.00 ATOM 586 NH1 ARG 78 10.118 -9.685 1.559 1.00 0.00 ATOM 587 NH2 ARG 78 8.957 -11.547 2.236 1.00 0.00 ATOM 588 O ARG 78 3.590 -6.336 2.413 1.00 0.00 ATOM 589 C ARG 78 4.286 -5.696 1.633 1.00 0.00 ATOM 590 N MET 79 3.967 -4.470 1.245 1.00 0.00 ATOM 591 CA MET 79 2.712 -3.863 1.686 1.00 0.00 ATOM 592 CB MET 79 2.665 -2.384 1.296 1.00 0.00 ATOM 593 CG MET 79 3.674 -1.517 2.031 1.00 0.00 ATOM 594 SD MET 79 3.610 0.211 1.520 1.00 0.00 ATOM 595 CE MET 79 2.111 0.752 2.337 1.00 0.00 ATOM 596 O MET 79 1.612 -5.064 -0.060 1.00 0.00 ATOM 597 C MET 79 1.511 -4.540 1.049 1.00 0.00 ATOM 598 N ASP 80 0.348 -4.439 1.705 1.00 0.00 ATOM 599 CA ASP 80 -0.889 -4.967 1.144 1.00 0.00 ATOM 600 CB ASP 80 -2.072 -4.657 2.064 1.00 0.00 ATOM 601 CG ASP 80 -2.063 -5.494 3.328 1.00 0.00 ATOM 602 OD1 ASP 80 -1.259 -6.448 3.403 1.00 0.00 ATOM 603 OD2 ASP 80 -2.860 -5.199 4.243 1.00 0.00 ATOM 604 O ASP 80 -0.791 -3.150 -0.410 1.00 0.00 ATOM 605 C ASP 80 -1.118 -4.322 -0.217 1.00 0.00 ATOM 606 N GLU 81 -1.733 -5.102 -1.203 1.00 0.00 ATOM 607 CA GLU 81 -1.987 -4.532 -2.520 1.00 0.00 ATOM 608 CB GLU 81 -2.791 -5.510 -3.380 1.00 0.00 ATOM 609 CG GLU 81 -2.008 -6.735 -3.825 1.00 0.00 ATOM 610 CD GLU 81 -2.866 -7.737 -4.570 1.00 0.00 ATOM 611 OE1 GLU 81 -4.090 -7.510 -4.674 1.00 0.00 ATOM 612 OE2 GLU 81 -2.317 -8.751 -5.048 1.00 0.00 ATOM 613 O GLU 81 -2.506 -2.293 -3.211 1.00 0.00 ATOM 614 C GLU 81 -2.784 -3.222 -2.459 1.00 0.00 ATOM 615 N GLU 82 -3.764 -3.147 -1.558 1.00 0.00 ATOM 616 CA GLU 82 -4.571 -1.900 -1.494 1.00 0.00 ATOM 617 CB GLU 82 -5.784 -2.093 -0.581 1.00 0.00 ATOM 618 CG GLU 82 -6.844 -3.023 -1.148 1.00 0.00 ATOM 619 CD GLU 82 -7.987 -3.262 -0.182 1.00 0.00 ATOM 620 OE1 GLU 82 -7.918 -2.752 0.957 1.00 0.00 ATOM 621 OE2 GLU 82 -8.950 -3.961 -0.560 1.00 0.00 ATOM 622 O GLU 82 -3.877 0.407 -1.426 1.00 0.00 ATOM 623 C GLU 82 -3.703 -0.734 -0.993 1.00 0.00 ATOM 624 N ARG 83 -2.766 -1.027 -0.072 1.00 0.00 ATOM 625 CA ARG 83 -1.866 0.006 0.440 1.00 0.00 ATOM 626 CB ARG 83 -0.882 -0.577 1.455 1.00 0.00 ATOM 627 CG ARG 83 -1.509 -0.943 2.790 1.00 0.00 ATOM 628 CD ARG 83 -0.493 -1.582 3.722 1.00 0.00 ATOM 629 NE ARG 83 -1.088 -1.966 5.000 1.00 0.00 ATOM 630 CZ ARG 83 -0.437 -2.608 5.964 1.00 0.00 ATOM 631 NH1 ARG 83 -1.060 -2.917 7.093 1.00 0.00 ATOM 632 NH2 ARG 83 0.835 -2.942 5.797 1.00 0.00 ATOM 633 O ARG 83 -0.831 1.784 -0.770 1.00 0.00 ATOM 634 C ARG 83 -1.044 0.567 -0.695 1.00 0.00 ATOM 635 N LYS 84 -0.617 -0.298 -1.612 1.00 0.00 ATOM 636 CA LYS 84 0.112 0.146 -2.783 1.00 0.00 ATOM 637 CB LYS 84 0.718 -1.022 -3.561 1.00 0.00 ATOM 638 CG LYS 84 1.822 -1.758 -2.816 1.00 0.00 ATOM 639 CD LYS 84 2.375 -2.907 -3.642 1.00 0.00 ATOM 640 CE LYS 84 3.476 -3.642 -2.898 1.00 0.00 ATOM 641 NZ LYS 84 4.010 -4.788 -3.684 1.00 0.00 ATOM 642 O LYS 84 -0.181 1.890 -4.366 1.00 0.00 ATOM 643 C LYS 84 -0.704 0.942 -3.734 1.00 0.00 ATOM 644 N LYS 85 -1.984 0.574 -3.867 1.00 0.00 ATOM 645 CA LYS 85 -2.891 1.374 -4.711 1.00 0.00 ATOM 646 CB LYS 85 -4.295 0.765 -4.713 1.00 0.00 ATOM 647 CG LYS 85 -4.400 -0.552 -5.463 1.00 0.00 ATOM 648 CD LYS 85 -5.819 -1.096 -5.426 1.00 0.00 ATOM 649 CE LYS 85 -5.920 -2.426 -6.157 1.00 0.00 ATOM 650 NZ LYS 85 -7.297 -2.988 -6.100 1.00 0.00 ATOM 651 O LYS 85 -2.982 3.813 -4.901 1.00 0.00 ATOM 652 C LYS 85 -2.963 2.794 -4.162 1.00 0.00 ATOM 653 N TYR 86 -3.100 2.884 -2.825 1.00 0.00 ATOM 654 CA TYR 86 -3.165 4.219 -2.172 1.00 0.00 ATOM 655 CB TYR 86 -3.369 4.069 -0.664 1.00 0.00 ATOM 656 CG TYR 86 -3.418 5.384 0.082 1.00 0.00 ATOM 657 CD1 TYR 86 -4.566 6.166 0.070 1.00 0.00 ATOM 658 CD2 TYR 86 -2.316 5.837 0.796 1.00 0.00 ATOM 659 CE1 TYR 86 -4.618 7.370 0.748 1.00 0.00 ATOM 660 CE2 TYR 86 -2.350 7.037 1.480 1.00 0.00 ATOM 661 CZ TYR 86 -3.515 7.804 1.451 1.00 0.00 ATOM 662 OH TYR 86 -3.565 9.001 2.127 1.00 0.00 ATOM 663 O TYR 86 -1.974 6.229 -2.704 1.00 0.00 ATOM 664 C TYR 86 -1.871 4.981 -2.403 1.00 0.00 ATOM 665 N VAL 87 -0.726 4.308 -2.321 1.00 0.00 ATOM 666 CA VAL 87 0.577 4.994 -2.502 1.00 0.00 ATOM 667 CB VAL 87 1.759 4.045 -2.229 1.00 0.00 ATOM 668 CG1 VAL 87 3.072 4.703 -2.621 1.00 0.00 ATOM 669 CG2 VAL 87 1.821 3.685 -0.753 1.00 0.00 ATOM 670 O VAL 87 1.157 6.613 -4.246 1.00 0.00 ATOM 671 C VAL 87 0.688 5.499 -3.946 1.00 0.00 ATOM 672 N ALA 88 0.297 4.627 -4.837 1.00 0.00 ATOM 673 CA ALA 88 0.341 4.951 -6.278 1.00 0.00 ATOM 674 CB ALA 88 -0.169 3.777 -7.101 1.00 0.00 ATOM 675 O ALA 88 -0.050 7.056 -7.343 1.00 0.00 ATOM 676 C ALA 88 -0.496 6.179 -6.594 1.00 0.00 ATOM 677 N SER 89 -1.712 6.270 -6.018 1.00 0.00 ATOM 678 CA SER 89 -2.593 7.419 -6.248 1.00 0.00 ATOM 679 CB SER 89 -3.940 7.242 -5.542 1.00 0.00 ATOM 680 OG SER 89 -4.643 6.126 -6.058 1.00 0.00 ATOM 681 O SER 89 -1.986 9.737 -6.400 1.00 0.00 ATOM 682 C SER 89 -1.978 8.708 -5.723 1.00 0.00 ATOM 683 N TYR 90 -1.458 8.644 -4.516 1.00 0.00 ATOM 684 CA TYR 90 -0.847 9.818 -3.915 1.00 0.00 ATOM 685 CB TYR 90 -0.410 9.587 -2.513 1.00 0.00 ATOM 686 CG TYR 90 0.033 10.821 -1.725 1.00 0.00 ATOM 687 CD1 TYR 90 -0.797 11.888 -1.536 1.00 0.00 ATOM 688 CD2 TYR 90 1.285 10.871 -1.189 1.00 0.00 ATOM 689 CE1 TYR 90 -0.416 12.980 -0.788 1.00 0.00 ATOM 690 CE2 TYR 90 1.675 11.953 -0.415 1.00 0.00 ATOM 691 CZ TYR 90 0.831 12.990 -0.246 1.00 0.00 ATOM 692 OH TYR 90 1.141 14.114 0.499 1.00 0.00 ATOM 693 O TYR 90 0.525 11.448 -5.034 1.00 0.00 ATOM 694 C TYR 90 0.377 10.266 -4.714 1.00 0.00 ATOM 695 N LEU 91 1.229 9.312 -5.043 1.00 0.00 ATOM 696 CA LEU 91 2.429 9.646 -5.801 1.00 0.00 ATOM 697 CB LEU 91 3.304 8.413 -6.026 1.00 0.00 ATOM 698 CG LEU 91 3.906 7.893 -4.718 1.00 0.00 ATOM 699 CD1 LEU 91 4.731 6.628 -4.999 1.00 0.00 ATOM 700 CD2 LEU 91 4.789 8.960 -4.099 1.00 0.00 ATOM 701 O LEU 91 2.775 11.099 -7.674 1.00 0.00 ATOM 702 C LEU 91 2.118 10.175 -7.196 1.00 0.00 ATOM 703 N GLY 92 1.113 9.606 -7.853 1.00 0.00 ATOM 704 CA GLY 92 0.736 10.057 -9.180 1.00 0.00 ATOM 705 O GLY 92 0.445 12.300 -10.005 1.00 0.00 ATOM 706 C GLY 92 0.141 11.463 -9.150 1.00 0.00 ATOM 707 N VAL 93 -0.664 11.750 -8.149 1.00 0.00 ATOM 708 CA VAL 93 -1.212 13.093 -7.991 1.00 0.00 ATOM 709 CB VAL 93 -2.187 13.140 -6.799 1.00 0.00 ATOM 710 CG1 VAL 93 -2.625 14.571 -6.525 1.00 0.00 ATOM 711 CG2 VAL 93 -3.425 12.306 -7.091 1.00 0.00 ATOM 712 O VAL 93 -0.068 15.159 -8.444 1.00 0.00 ATOM 713 C VAL 93 -0.098 14.114 -7.791 1.00 0.00 ATOM 714 N ILE 94 0.849 13.767 -6.923 1.00 0.00 ATOM 715 CA ILE 94 1.975 14.639 -6.628 1.00 0.00 ATOM 716 CB ILE 94 2.887 14.094 -5.512 1.00 0.00 ATOM 717 CG1 ILE 94 2.138 14.067 -4.177 1.00 0.00 ATOM 718 CG2 ILE 94 4.119 14.972 -5.354 1.00 0.00 ATOM 719 CD1 ILE 94 2.859 13.305 -3.087 1.00 0.00 ATOM 720 O ILE 94 3.197 16.024 -8.167 1.00 0.00 ATOM 721 C ILE 94 2.879 14.880 -7.836 1.00 0.00 ATOM 722 N MET 95 3.231 13.812 -8.508 1.00 0.00 ATOM 723 CA MET 95 4.105 13.927 -9.674 1.00 0.00 ATOM 724 CB MET 95 4.550 12.543 -10.151 1.00 0.00 ATOM 725 CG MET 95 5.494 11.830 -9.195 1.00 0.00 ATOM 726 SD MET 95 7.011 12.759 -8.896 1.00 0.00 ATOM 727 CE MET 95 7.779 12.680 -10.511 1.00 0.00 ATOM 728 O MET 95 4.219 15.416 -11.551 1.00 0.00 ATOM 729 C MET 95 3.506 14.721 -10.835 1.00 0.00 ATOM 730 N ALA 96 2.199 14.620 -11.013 1.00 0.00 ATOM 731 CA ALA 96 1.518 15.325 -12.102 1.00 0.00 ATOM 732 CB ALA 96 0.192 14.676 -12.471 1.00 0.00 ATOM 733 O ALA 96 0.888 17.547 -12.697 1.00 0.00 ATOM 734 C ALA 96 1.279 16.810 -11.792 1.00 0.00 ATOM 735 N SER 97 1.533 17.173 -10.407 1.00 0.00 ATOM 736 CA SER 97 1.249 18.554 -10.084 1.00 0.00 ATOM 737 CB SER 97 1.604 18.802 -8.617 1.00 0.00 ATOM 738 OG SER 97 1.406 20.162 -8.269 1.00 0.00 ATOM 739 O SER 97 3.238 19.354 -11.177 1.00 0.00 ATOM 740 C SER 97 2.039 19.526 -10.922 1.00 0.00 ATOM 741 N ASP 98 1.379 20.660 -11.278 1.00 0.00 ATOM 742 CA ASP 98 2.082 21.646 -12.118 1.00 0.00 ATOM 743 CB ASP 98 1.124 22.755 -12.557 1.00 0.00 ATOM 744 CG ASP 98 0.132 22.288 -13.602 1.00 0.00 ATOM 745 OD1 ASP 98 0.311 21.173 -14.136 1.00 0.00 ATOM 746 OD2 ASP 98 -0.827 23.036 -13.889 1.00 0.00 ATOM 747 O ASP 98 3.268 22.320 -10.103 1.00 0.00 ATOM 748 C ASP 98 3.256 22.245 -11.323 1.00 0.00 ATOM 749 N GLY 99 4.226 22.641 -12.138 1.00 0.00 ATOM 750 CA GLY 99 5.435 23.282 -11.741 1.00 0.00 ATOM 751 O GLY 99 5.964 24.882 -9.982 1.00 0.00 ATOM 752 C GLY 99 5.217 24.562 -10.942 1.00 0.00 ATOM 753 N ASP 100 4.231 25.364 -11.396 1.00 0.00 ATOM 754 CA ASP 100 3.930 26.610 -10.706 1.00 0.00 ATOM 755 CB ASP 100 2.800 27.357 -11.417 1.00 0.00 ATOM 756 CG ASP 100 3.242 27.968 -12.732 1.00 0.00 ATOM 757 OD1 ASP 100 4.465 28.021 -12.981 1.00 0.00 ATOM 758 OD2 ASP 100 2.366 28.393 -13.514 1.00 0.00 ATOM 759 O ASP 100 4.118 26.723 -8.298 1.00 0.00 ATOM 760 C ASP 100 3.526 26.244 -9.271 1.00 0.00 ATOM 761 N ILE 101 2.581 25.393 -9.146 1.00 0.00 ATOM 762 CA ILE 101 2.107 24.941 -7.843 1.00 0.00 ATOM 763 CB ILE 101 0.848 24.063 -7.969 1.00 0.00 ATOM 764 CG1 ILE 101 -0.326 24.886 -8.506 1.00 0.00 ATOM 765 CG2 ILE 101 0.458 23.496 -6.612 1.00 0.00 ATOM 766 CD1 ILE 101 -1.521 24.051 -8.909 1.00 0.00 ATOM 767 O ILE 101 3.425 24.351 -5.929 1.00 0.00 ATOM 768 C ILE 101 3.173 24.138 -7.117 1.00 0.00 ATOM 769 N ASP 102 3.808 23.089 -7.805 1.00 0.00 ATOM 770 CA ASP 102 4.793 22.203 -7.186 1.00 0.00 ATOM 771 CB ASP 102 5.292 21.168 -8.195 1.00 0.00 ATOM 772 CG ASP 102 6.223 20.148 -7.572 1.00 0.00 ATOM 773 OD1 ASP 102 5.777 19.414 -6.664 1.00 0.00 ATOM 774 OD2 ASP 102 7.398 20.081 -7.990 1.00 0.00 ATOM 775 O ASP 102 6.495 22.768 -5.603 1.00 0.00 ATOM 776 C ASP 102 5.980 23.034 -6.693 1.00 0.00 ATOM 777 N ASP 103 6.391 24.016 -7.471 1.00 0.00 ATOM 778 CA ASP 103 7.519 24.865 -7.087 1.00 0.00 ATOM 779 CB ASP 103 7.826 25.879 -8.190 1.00 0.00 ATOM 780 CG ASP 103 9.065 26.703 -7.894 1.00 0.00 ATOM 781 OD1 ASP 103 10.160 26.112 -7.790 1.00 0.00 ATOM 782 OD2 ASP 103 8.940 27.940 -7.769 1.00 0.00 ATOM 783 O ASP 103 7.907 25.691 -4.860 1.00 0.00 ATOM 784 C ASP 103 7.108 25.569 -5.800 1.00 0.00 ATOM 785 N ASN 104 5.873 26.057 -5.752 1.00 0.00 ATOM 786 CA ASN 104 5.390 26.753 -4.562 1.00 0.00 ATOM 787 CB ASN 104 4.014 27.368 -4.824 1.00 0.00 ATOM 788 CG ASN 104 4.080 28.572 -5.742 1.00 0.00 ATOM 789 ND2 ASN 104 2.954 28.903 -6.365 1.00 0.00 ATOM 790 OD1 ASN 104 5.131 29.195 -5.891 1.00 0.00 ATOM 791 O ASN 104 5.666 26.196 -2.249 1.00 0.00 ATOM 792 C ASN 104 5.301 25.825 -3.370 1.00 0.00 ATOM 793 N GLU 105 4.890 24.574 -3.622 1.00 0.00 ATOM 794 CA GLU 105 4.784 23.607 -2.538 1.00 0.00 ATOM 795 CB GLU 105 4.205 22.292 -3.063 1.00 0.00 ATOM 796 CG GLU 105 2.725 22.357 -3.405 1.00 0.00 ATOM 797 CD GLU 105 2.220 21.083 -4.051 1.00 0.00 ATOM 798 OE1 GLU 105 3.042 20.178 -4.304 1.00 0.00 ATOM 799 OE2 GLU 105 0.999 20.987 -4.302 1.00 0.00 ATOM 800 O GLU 105 6.360 23.245 -0.765 1.00 0.00 ATOM 801 C GLU 105 6.168 23.271 -1.978 1.00 0.00 ATOM 802 N LEU 106 7.149 23.019 -2.856 1.00 0.00 ATOM 803 CA LEU 106 8.495 22.699 -2.394 1.00 0.00 ATOM 804 CB LEU 106 9.431 22.389 -3.562 1.00 0.00 ATOM 805 CG LEU 106 10.847 21.911 -3.211 1.00 0.00 ATOM 806 CD1 LEU 106 10.792 20.721 -2.247 1.00 0.00 ATOM 807 CD2 LEU 106 11.587 21.528 -4.491 1.00 0.00 ATOM 808 O LEU 106 9.766 23.673 -0.606 1.00 0.00 ATOM 809 C LEU 106 9.105 23.871 -1.625 1.00 0.00 ATOM 810 N ALA 107 8.869 25.052 -2.134 1.00 0.00 ATOM 811 CA ALA 107 9.415 26.236 -1.470 1.00 0.00 ATOM 812 CB ALA 107 9.039 27.467 -2.281 1.00 0.00 ATOM 813 O ALA 107 9.610 26.736 0.864 1.00 0.00 ATOM 814 C ALA 107 8.863 26.451 -0.068 1.00 0.00 ATOM 815 N LEU 108 7.550 26.324 0.100 1.00 0.00 ATOM 816 CA LEU 108 6.913 26.503 1.400 1.00 0.00 ATOM 817 CB LEU 108 5.389 26.401 1.310 1.00 0.00 ATOM 818 CG LEU 108 4.684 27.483 0.490 1.00 0.00 ATOM 819 CD1 LEU 108 3.201 27.175 0.357 1.00 0.00 ATOM 820 CD2 LEU 108 4.831 28.843 1.154 1.00 0.00 ATOM 821 O LEU 108 7.722 25.792 3.544 1.00 0.00 ATOM 822 C LEU 108 7.442 25.472 2.392 1.00 0.00 ATOM 823 N TRP 109 7.572 24.246 1.937 1.00 0.00 ATOM 824 CA TRP 109 8.096 23.186 2.792 1.00 0.00 ATOM 825 CB TRP 109 8.057 21.857 2.032 1.00 0.00 ATOM 826 CG TRP 109 6.669 21.349 1.787 1.00 0.00 ATOM 827 CD1 TRP 109 5.514 21.820 2.340 1.00 0.00 ATOM 828 CD2 TRP 109 6.291 20.268 0.926 1.00 0.00 ATOM 829 CE2 TRP 109 4.890 20.141 1.006 1.00 0.00 ATOM 830 CE3 TRP 109 7.000 19.395 0.095 1.00 0.00 ATOM 831 NE1 TRP 109 4.439 21.101 1.876 1.00 0.00 ATOM 832 CZ2 TRP 109 4.185 19.178 0.287 1.00 0.00 ATOM 833 CZ3 TRP 109 6.296 18.440 -0.617 1.00 0.00 ATOM 834 CH2 TRP 109 4.904 18.337 -0.518 1.00 0.00 ATOM 835 O TRP 109 9.935 23.256 4.350 1.00 0.00 ATOM 836 C TRP 109 9.544 23.464 3.205 1.00 0.00 ATOM 837 N THR 110 10.356 23.913 2.265 1.00 0.00 ATOM 838 CA THR 110 11.744 24.227 2.617 1.00 0.00 ATOM 839 CB THR 110 12.563 24.631 1.377 1.00 0.00 ATOM 840 CG2 THR 110 13.986 24.994 1.774 1.00 0.00 ATOM 841 OG1 THR 110 12.605 23.539 0.450 1.00 0.00 ATOM 842 O THR 110 12.479 25.361 4.611 1.00 0.00 ATOM 843 C THR 110 11.771 25.388 3.609 1.00 0.00 ATOM 844 N LEU 111 10.967 26.436 3.409 1.00 0.00 ATOM 845 CA LEU 111 10.885 27.554 4.342 1.00 0.00 ATOM 846 CB LEU 111 9.808 28.544 3.896 1.00 0.00 ATOM 847 CG LEU 111 9.601 29.770 4.789 1.00 0.00 ATOM 848 CD1 LEU 111 10.859 30.625 4.827 1.00 0.00 ATOM 849 CD2 LEU 111 8.458 30.628 4.271 1.00 0.00 ATOM 850 O LEU 111 11.150 27.487 6.715 1.00 0.00 ATOM 851 C LEU 111 10.509 27.095 5.736 1.00 0.00 ATOM 852 N ILE 112 9.448 26.162 5.892 1.00 0.00 ATOM 853 CA ILE 112 8.977 25.781 7.206 1.00 0.00 ATOM 854 CB ILE 112 7.533 25.247 7.143 1.00 0.00 ATOM 855 CG1 ILE 112 6.561 26.380 6.807 1.00 0.00 ATOM 856 CG2 ILE 112 7.129 24.645 8.480 1.00 0.00 ATOM 857 CD1 ILE 112 5.161 25.906 6.481 1.00 0.00 ATOM 858 O ILE 112 9.888 24.558 9.082 1.00 0.00 ATOM 859 C ILE 112 9.802 24.666 7.848 1.00 0.00 ATOM 860 N SER 113 10.346 23.781 7.027 1.00 0.00 ATOM 861 CA SER 113 11.183 22.713 7.529 1.00 0.00 ATOM 862 CB SER 113 11.677 21.834 6.378 1.00 0.00 ATOM 863 OG SER 113 12.548 22.555 5.523 1.00 0.00 ATOM 864 O SER 113 12.687 22.904 9.390 1.00 0.00 ATOM 865 C SER 113 12.319 23.362 8.311 1.00 0.00 ATOM 866 N THR 114 12.851 24.495 7.793 1.00 0.00 ATOM 867 CA THR 114 13.942 25.212 8.440 1.00 0.00 ATOM 868 CB THR 114 14.508 26.306 7.517 1.00 0.00 ATOM 869 CG2 THR 114 15.636 27.055 8.209 1.00 0.00 ATOM 870 OG1 THR 114 15.016 25.708 6.317 1.00 0.00 ATOM 871 O THR 114 14.088 25.767 10.781 1.00 0.00 ATOM 872 C THR 114 13.475 25.896 9.724 1.00 0.00 ATOM 873 N LEU 115 12.379 26.664 9.650 1.00 0.00 ATOM 874 CA LEU 115 11.833 27.351 10.803 1.00 0.00 ATOM 875 CB LEU 115 10.698 28.280 10.235 1.00 0.00 ATOM 876 CG LEU 115 9.843 29.017 11.259 1.00 0.00 ATOM 877 CD1 LEU 115 10.676 29.947 12.115 1.00 0.00 ATOM 878 CD2 LEU 115 8.746 29.760 10.510 1.00 0.00 ATOM 879 O LEU 115 11.629 26.660 13.104 1.00 0.00 ATOM 880 C LEU 115 11.450 26.369 11.921 1.00 0.00 ATOM 881 N CYS 116 10.888 25.200 11.572 1.00 0.00 ATOM 882 CA CYS 116 10.461 24.223 12.558 1.00 0.00 ATOM 883 CB CYS 116 9.204 23.513 12.054 1.00 0.00 ATOM 884 SG CYS 116 7.777 24.597 11.818 1.00 0.00 ATOM 885 O CYS 116 11.345 22.266 13.646 1.00 0.00 ATOM 886 C CYS 116 11.552 23.192 12.861 1.00 0.00 ATOM 887 N GLY 117 12.692 23.360 12.206 1.00 0.00 ATOM 888 CA GLY 117 13.819 22.471 12.456 1.00 0.00 ATOM 889 O GLY 117 14.074 20.122 12.819 1.00 0.00 ATOM 890 C GLY 117 13.651 21.012 12.082 1.00 0.00 ATOM 891 N LEU 118 13.067 20.736 10.957 1.00 0.00 ATOM 892 CA LEU 118 12.848 19.374 10.482 1.00 0.00 ATOM 893 CB LEU 118 11.383 19.258 10.056 1.00 0.00 ATOM 894 CG LEU 118 10.339 19.558 11.132 1.00 0.00 ATOM 895 CD1 LEU 118 8.940 19.579 10.535 1.00 0.00 ATOM 896 CD2 LEU 118 10.373 18.500 12.225 1.00 0.00 ATOM 897 O LEU 118 14.338 20.039 8.766 1.00 0.00 ATOM 898 C LEU 118 13.773 19.107 9.316 1.00 0.00 ATOM 899 N PRO 119 13.959 17.845 8.943 1.00 0.00 ATOM 900 CA PRO 119 14.827 17.518 7.799 1.00 0.00 ATOM 901 CB PRO 119 14.710 15.999 7.668 1.00 0.00 ATOM 902 CG PRO 119 13.406 15.667 8.312 1.00 0.00 ATOM 903 CD PRO 119 13.229 16.657 9.429 1.00 0.00 ATOM 904 O PRO 119 13.051 18.414 6.460 1.00 0.00 ATOM 905 C PRO 119 14.295 18.250 6.576 1.00 0.00 ATOM 906 N THR 120 15.168 18.751 5.680 1.00 0.00 ATOM 907 CA THR 120 14.712 19.634 4.611 1.00 0.00 ATOM 908 CB THR 120 15.883 20.092 3.723 1.00 0.00 ATOM 909 CG2 THR 120 15.381 20.985 2.598 1.00 0.00 ATOM 910 OG1 THR 120 16.828 20.826 4.511 1.00 0.00 ATOM 911 O THR 120 12.833 19.721 3.120 1.00 0.00 ATOM 912 C THR 120 13.684 19.002 3.665 1.00 0.00 ATOM 913 N MET 121 13.890 17.613 3.459 1.00 0.00 ATOM 914 CA MET 121 13.103 16.892 2.455 1.00 0.00 ATOM 915 CB MET 121 13.809 15.596 2.050 1.00 0.00 ATOM 916 CG MET 121 15.123 15.809 1.317 1.00 0.00 ATOM 917 SD MET 121 14.931 16.777 -0.191 1.00 0.00 ATOM 918 CE MET 121 13.953 15.657 -1.190 1.00 0.00 ATOM 919 O MET 121 10.959 15.819 2.197 1.00 0.00 ATOM 920 C MET 121 11.694 16.489 2.932 1.00 0.00 ATOM 921 N THR 122 11.363 16.850 4.175 1.00 0.00 ATOM 922 CA THR 122 10.078 16.515 4.767 1.00 0.00 ATOM 923 CB THR 122 9.944 17.093 6.188 1.00 0.00 ATOM 924 CG2 THR 122 8.608 16.698 6.799 1.00 0.00 ATOM 925 OG1 THR 122 10.999 16.587 7.015 1.00 0.00 ATOM 926 O THR 122 8.925 18.230 3.538 1.00 0.00 ATOM 927 C THR 122 8.925 17.075 3.931 1.00 0.00 ATOM 928 N VAL 123 8.007 16.187 3.584 1.00 0.00 ATOM 929 CA VAL 123 6.814 16.552 2.818 1.00 0.00 ATOM 930 CB VAL 123 6.395 15.425 1.855 1.00 0.00 ATOM 931 CG1 VAL 123 5.127 15.808 1.107 1.00 0.00 ATOM 932 CG2 VAL 123 7.493 15.161 0.836 1.00 0.00 ATOM 933 O VAL 123 5.160 15.858 4.446 1.00 0.00 ATOM 934 C VAL 123 5.702 16.804 3.858 1.00 0.00 ATOM 935 N MET 124 5.533 18.059 4.245 1.00 0.00 ATOM 936 CA MET 124 4.537 18.398 5.267 1.00 0.00 ATOM 937 CB MET 124 4.613 19.886 5.614 1.00 0.00 ATOM 938 CG MET 124 5.879 20.287 6.355 1.00 0.00 ATOM 939 SD MET 124 6.058 19.439 7.936 1.00 0.00 ATOM 940 CE MET 124 4.721 20.178 8.870 1.00 0.00 ATOM 941 O MET 124 2.270 17.699 5.620 1.00 0.00 ATOM 942 C MET 124 3.099 18.104 4.812 1.00 0.00 ATOM 943 N GLU 125 2.801 18.299 3.536 1.00 0.00 ATOM 944 CA GLU 125 1.486 17.991 2.981 1.00 0.00 ATOM 945 CB GLU 125 1.468 18.245 1.472 1.00 0.00 ATOM 946 CG GLU 125 0.120 17.993 0.816 1.00 0.00 ATOM 947 CD GLU 125 0.132 18.286 -0.672 1.00 0.00 ATOM 948 OE1 GLU 125 1.192 18.699 -1.187 1.00 0.00 ATOM 949 OE2 GLU 125 -0.918 18.103 -1.321 1.00 0.00 ATOM 950 O GLU 125 0.090 16.192 3.743 1.00 0.00 ATOM 951 C GLU 125 1.158 16.524 3.246 1.00 0.00 ATOM 952 N ALA 126 2.081 15.645 2.888 1.00 0.00 ATOM 953 CA ALA 126 1.836 14.215 3.057 1.00 0.00 ATOM 954 CB ALA 126 3.034 13.431 2.542 1.00 0.00 ATOM 955 O ALA 126 0.709 13.106 4.864 1.00 0.00 ATOM 956 C ALA 126 1.630 13.848 4.522 1.00 0.00 ATOM 957 N ILE 127 2.495 14.369 5.384 1.00 0.00 ATOM 958 CA ILE 127 2.396 14.087 6.809 1.00 0.00 ATOM 959 CB ILE 127 3.490 14.820 7.607 1.00 0.00 ATOM 960 CG1 ILE 127 4.869 14.246 7.275 1.00 0.00 ATOM 961 CG2 ILE 127 3.253 14.668 9.101 1.00 0.00 ATOM 962 CD1 ILE 127 6.019 15.076 7.799 1.00 0.00 ATOM 963 O ILE 127 0.320 13.753 7.959 1.00 0.00 ATOM 964 C ILE 127 1.047 14.539 7.358 1.00 0.00 ATOM 965 N ASN 128 0.696 15.798 7.134 1.00 0.00 ATOM 966 CA ASN 128 -0.563 16.303 7.657 1.00 0.00 ATOM 967 CB ASN 128 -0.681 17.808 7.407 1.00 0.00 ATOM 968 CG ASN 128 0.230 18.621 8.305 1.00 0.00 ATOM 969 ND2 ASN 128 0.521 19.850 7.894 1.00 0.00 ATOM 970 OD1 ASN 128 0.665 18.148 9.354 1.00 0.00 ATOM 971 O ASN 128 -2.792 15.435 7.727 1.00 0.00 ATOM 972 C ASN 128 -1.796 15.641 7.041 1.00 0.00 ATOM 973 N ASN 129 -1.733 15.298 5.757 1.00 0.00 ATOM 974 CA ASN 129 -2.868 14.634 5.120 1.00 0.00 ATOM 975 CB ASN 129 -2.623 14.484 3.616 1.00 0.00 ATOM 976 CG ASN 129 -2.715 15.804 2.876 1.00 0.00 ATOM 977 ND2 ASN 129 -2.113 15.859 1.694 1.00 0.00 ATOM 978 OD1 ASN 129 -3.320 16.758 3.363 1.00 0.00 ATOM 979 O ASN 129 -4.175 12.796 5.958 1.00 0.00 ATOM 980 C ASN 129 -3.052 13.259 5.757 1.00 0.00 ATOM 981 N MET 130 -1.927 12.613 6.073 1.00 0.00 ATOM 982 CA MET 130 -1.945 11.298 6.705 1.00 0.00 ATOM 983 CB MET 130 -0.530 10.719 6.777 1.00 0.00 ATOM 984 CG MET 130 0.069 10.375 5.423 1.00 0.00 ATOM 985 SD MET 130 1.716 9.653 5.555 1.00 0.00 ATOM 986 CE MET 130 2.177 9.546 3.828 1.00 0.00 ATOM 987 O MET 130 -2.914 10.334 8.674 1.00 0.00 ATOM 988 C MET 130 -2.514 11.369 8.110 1.00 0.00 ATOM 989 N LYS 131 -2.606 12.545 8.710 1.00 0.00 ATOM 990 CA LYS 131 -3.223 12.680 10.017 1.00 0.00 ATOM 991 CB LYS 131 -3.166 14.134 10.489 1.00 0.00 ATOM 992 CG LYS 131 -1.762 14.632 10.797 1.00 0.00 ATOM 993 CD LYS 131 -1.777 16.089 11.231 1.00 0.00 ATOM 994 CE LYS 131 -0.379 16.575 11.578 1.00 0.00 ATOM 995 NZ LYS 131 -0.373 18.009 11.977 1.00 0.00 ATOM 996 O LYS 131 -5.071 11.857 11.262 1.00 0.00 ATOM 997 C LYS 131 -4.676 12.254 10.173 1.00 0.00 ATOM 998 N ASN 132 -5.477 12.348 9.122 1.00 0.00 ATOM 999 CA ASN 132 -6.888 11.970 9.235 1.00 0.00 ATOM 1000 CB ASN 132 -7.741 12.892 8.362 1.00 0.00 ATOM 1001 CG ASN 132 -7.759 14.321 8.868 1.00 0.00 ATOM 1002 ND2 ASN 132 -7.923 15.270 7.953 1.00 0.00 ATOM 1003 OD1 ASN 132 -7.626 14.567 10.066 1.00 0.00 ATOM 1004 O ASN 132 -8.355 10.137 8.765 1.00 0.00 ATOM 1005 C ASN 132 -7.193 10.549 8.781 1.00 0.00 ATOM 1006 N LEU 133 -6.143 9.807 8.418 1.00 0.00 ATOM 1007 CA LEU 133 -6.308 8.428 7.969 1.00 0.00 ATOM 1008 CB LEU 133 -5.302 8.095 6.891 1.00 0.00 ATOM 1009 CG LEU 133 -5.341 8.940 5.587 1.00 0.00 ATOM 1010 CD1 LEU 133 -4.506 8.323 4.470 1.00 0.00 ATOM 1011 CD2 LEU 133 -6.772 9.235 5.114 1.00 0.00 ATOM 1012 O LEU 133 -5.098 7.509 9.834 1.00 0.00 ATOM 1013 C LEU 133 -6.123 7.482 9.162 1.00 0.00 TER END