PFRMAT TS TARGET T0474 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. 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 METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates 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 We also made a few 3-track HMMs (AA, str2, CB_burial_14_7 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. 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. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. 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. REMARK 6 REMARK 6 T0474 model 1 Thu Jun 26 12:12:16 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 -0.585 12.534 -6.409 1.00 0.00 ATOM 2 CA MET 1 -0.514 12.688 -7.860 1.00 0.00 ATOM 3 CB MET 1 0.186 13.974 -8.262 1.00 0.00 ATOM 4 CG MET 1 1.499 14.248 -7.534 1.00 0.00 ATOM 5 SD MET 1 2.186 15.845 -7.973 1.00 0.00 ATOM 6 CE MET 1 0.945 16.954 -7.278 1.00 0.00 ATOM 7 O MET 1 1.235 11.080 -7.577 1.00 0.00 ATOM 8 C MET 1 0.530 11.704 -8.376 1.00 0.00 ATOM 9 N ASN 2 0.579 11.588 -9.698 1.00 0.00 ATOM 10 CA ASN 2 1.466 10.593 -10.331 1.00 0.00 ATOM 11 CB ASN 2 1.265 10.519 -11.848 1.00 0.00 ATOM 12 CG ASN 2 -0.099 9.945 -12.297 1.00 0.00 ATOM 13 ND2 ASN 2 -0.948 9.421 -11.392 1.00 0.00 ATOM 14 OD1 ASN 2 -0.362 10.008 -13.460 1.00 0.00 ATOM 15 O ASN 2 3.700 9.944 -9.745 1.00 0.00 ATOM 16 C ASN 2 2.927 10.869 -9.990 1.00 0.00 ATOM 17 N SER 3 3.302 12.145 -9.979 1.00 0.00 ATOM 18 CA SER 3 4.663 12.520 -9.665 1.00 0.00 ATOM 19 CB SER 3 4.784 14.042 -9.757 1.00 0.00 ATOM 20 OG SER 3 4.661 14.484 -11.098 1.00 0.00 ATOM 21 O SER 3 5.985 11.361 -8.034 1.00 0.00 ATOM 22 C SER 3 4.967 12.016 -8.260 1.00 0.00 ATOM 23 N LEU 4 4.081 12.320 -7.317 1.00 0.00 ATOM 24 CA LEU 4 4.269 11.889 -5.937 1.00 0.00 ATOM 25 CB LEU 4 3.209 12.534 -5.017 1.00 0.00 ATOM 26 CG LEU 4 3.361 14.073 -4.821 1.00 0.00 ATOM 27 CD1 LEU 4 2.162 14.587 -3.996 1.00 0.00 ATOM 28 CD2 LEU 4 4.680 14.420 -4.130 1.00 0.00 ATOM 29 O LEU 4 5.031 9.780 -5.121 1.00 0.00 ATOM 30 C LEU 4 4.228 10.382 -5.836 1.00 0.00 ATOM 31 N ALA 5 3.371 9.761 -6.604 1.00 0.00 ATOM 32 CA ALA 5 3.257 8.322 -6.611 1.00 0.00 ATOM 33 CB ALA 5 2.121 7.911 -7.530 1.00 0.00 ATOM 34 O ALA 5 4.943 6.619 -6.467 1.00 0.00 ATOM 35 C ALA 5 4.586 7.662 -7.025 1.00 0.00 ATOM 36 N GLY 6 5.306 8.238 -7.994 1.00 0.00 ATOM 37 CA GLY 6 6.593 7.670 -8.324 1.00 0.00 ATOM 38 O GLY 6 8.378 6.873 -6.970 1.00 0.00 ATOM 39 C GLY 6 7.598 7.778 -7.179 1.00 0.00 ATOM 40 N ILE 7 7.599 8.921 -6.471 1.00 0.00 ATOM 41 CA ILE 7 8.476 9.098 -5.316 1.00 0.00 ATOM 42 CB ILE 7 8.388 10.509 -4.738 1.00 0.00 ATOM 43 CG1 ILE 7 8.976 11.531 -5.698 1.00 0.00 ATOM 44 CG2 ILE 7 9.146 10.580 -3.385 1.00 0.00 ATOM 45 CD1 ILE 7 10.441 11.431 -6.040 1.00 0.00 ATOM 46 O ILE 7 9.009 7.471 -3.625 1.00 0.00 ATOM 47 C ILE 7 8.125 8.089 -4.227 1.00 0.00 ATOM 48 N ASP 8 6.817 7.931 -3.942 1.00 0.00 ATOM 49 CA ASP 8 6.356 7.006 -2.915 1.00 0.00 ATOM 50 CB ASP 8 4.810 7.198 -2.707 1.00 0.00 ATOM 51 CG ASP 8 4.417 8.481 -1.994 1.00 0.00 ATOM 52 OD1 ASP 8 5.293 9.185 -1.440 1.00 0.00 ATOM 53 OD2 ASP 8 3.218 8.856 -1.940 1.00 0.00 ATOM 54 O ASP 8 7.060 4.790 -2.426 1.00 0.00 ATOM 55 C ASP 8 6.688 5.581 -3.302 1.00 0.00 ATOM 56 N MET 9 6.574 5.178 -4.587 1.00 0.00 ATOM 57 CA MET 9 6.976 3.845 -5.047 1.00 0.00 ATOM 58 CB MET 9 6.704 3.619 -6.493 1.00 0.00 ATOM 59 CG MET 9 5.233 3.383 -6.828 1.00 0.00 ATOM 60 SD MET 9 4.963 3.017 -8.581 1.00 0.00 ATOM 61 CE MET 9 4.764 4.695 -9.222 1.00 0.00 ATOM 62 O MET 9 8.881 2.561 -4.293 1.00 0.00 ATOM 63 C MET 9 8.470 3.616 -4.792 1.00 0.00 ATOM 64 N GLY 10 9.261 4.681 -5.207 1.00 0.00 ATOM 65 CA GLY 10 10.701 4.611 -5.063 1.00 0.00 ATOM 66 O GLY 10 11.945 3.604 -3.330 1.00 0.00 ATOM 67 C GLY 10 11.100 4.420 -3.628 1.00 0.00 ATOM 68 N ARG 11 10.498 5.200 -2.720 1.00 0.00 ATOM 69 CA ARG 11 10.907 5.172 -1.321 1.00 0.00 ATOM 70 CB ARG 11 10.318 6.318 -0.516 1.00 0.00 ATOM 71 CG ARG 11 10.876 7.667 -0.773 1.00 0.00 ATOM 72 CD ARG 11 10.714 8.680 0.424 1.00 0.00 ATOM 73 NE ARG 11 9.380 8.552 0.989 1.00 0.00 ATOM 74 CZ ARG 11 8.267 8.918 0.351 1.00 0.00 ATOM 75 NH1 ARG 11 8.313 9.636 -0.752 1.00 0.00 ATOM 76 NH2 ARG 11 7.117 8.550 0.886 1.00 0.00 ATOM 77 O ARG 11 11.287 3.333 0.088 1.00 0.00 ATOM 78 C ARG 11 10.520 3.896 -0.683 1.00 0.00 ATOM 79 N ILE 12 9.296 3.282 -1.096 1.00 0.00 ATOM 80 CA ILE 12 8.864 1.977 -0.547 1.00 0.00 ATOM 81 CB ILE 12 7.435 1.646 -0.972 1.00 0.00 ATOM 82 CG1 ILE 12 6.457 2.584 -0.184 1.00 0.00 ATOM 83 CG2 ILE 12 7.121 0.186 -0.667 1.00 0.00 ATOM 84 CD1 ILE 12 5.043 2.559 -0.807 1.00 0.00 ATOM 85 O ILE 12 10.291 0.068 -0.151 1.00 0.00 ATOM 86 C ILE 12 9.846 0.864 -0.982 1.00 0.00 ATOM 87 N LEU 13 10.195 0.830 -2.240 1.00 0.00 ATOM 88 CA LEU 13 11.120 -0.209 -2.723 1.00 0.00 ATOM 89 CB LEU 13 11.152 -0.277 -4.226 1.00 0.00 ATOM 90 CG LEU 13 9.833 -0.613 -4.911 1.00 0.00 ATOM 91 CD1 LEU 13 9.929 -0.280 -6.405 1.00 0.00 ATOM 92 CD2 LEU 13 9.440 -2.050 -4.701 1.00 0.00 ATOM 93 O LEU 13 13.199 -1.057 -1.884 1.00 0.00 ATOM 94 C LEU 13 12.506 -0.043 -2.185 1.00 0.00 ATOM 95 N LEU 14 13.002 1.253 -2.083 1.00 0.00 ATOM 96 CA LEU 14 14.333 1.546 -1.541 1.00 0.00 ATOM 97 CB LEU 14 14.638 3.044 -1.652 1.00 0.00 ATOM 98 CG LEU 14 14.649 3.674 -3.046 1.00 0.00 ATOM 99 CD1 LEU 14 15.177 5.102 -2.968 1.00 0.00 ATOM 100 CD2 LEU 14 15.466 2.848 -4.042 1.00 0.00 ATOM 101 O LEU 14 15.617 0.769 0.362 1.00 0.00 ATOM 102 C LEU 14 14.498 1.074 -0.078 1.00 0.00 ATOM 103 N ASP 15 13.394 1.030 0.671 1.00 0.00 ATOM 104 CA ASP 15 13.437 0.602 2.078 1.00 0.00 ATOM 105 CB ASP 15 12.808 1.703 2.960 1.00 0.00 ATOM 106 CG ASP 15 13.566 3.019 2.897 1.00 0.00 ATOM 107 OD1 ASP 15 14.770 2.999 2.567 1.00 0.00 ATOM 108 OD2 ASP 15 12.959 4.068 3.196 1.00 0.00 ATOM 109 O ASP 15 13.112 -1.413 3.351 1.00 0.00 ATOM 110 C ASP 15 13.236 -0.912 2.240 1.00 0.00 ATOM 111 N LEU 16 13.198 -1.619 1.116 1.00 0.00 ATOM 112 CA LEU 16 12.984 -3.066 1.114 1.00 0.00 ATOM 113 CB LEU 16 11.706 -3.418 0.349 1.00 0.00 ATOM 114 CG LEU 16 10.406 -2.824 0.894 1.00 0.00 ATOM 115 CD1 LEU 16 9.240 -3.143 -0.029 1.00 0.00 ATOM 116 CD2 LEU 16 10.091 -3.388 2.271 1.00 0.00 ATOM 117 O LEU 16 14.616 -3.407 -0.619 1.00 0.00 ATOM 118 C LEU 16 14.139 -3.807 0.452 1.00 0.00 ATOM 119 N SER 17 14.682 -4.803 1.142 1.00 0.00 ATOM 120 CA SER 17 15.702 -5.637 0.520 1.00 0.00 ATOM 121 CB SER 17 16.430 -6.471 1.575 1.00 0.00 ATOM 122 OG SER 17 15.568 -7.440 2.145 1.00 0.00 ATOM 123 O SER 17 13.785 -6.675 -0.495 1.00 0.00 ATOM 124 C SER 17 15.013 -6.555 -0.503 1.00 0.00 ATOM 125 N ASN 18 15.795 -7.163 -1.393 1.00 0.00 ATOM 126 CA ASN 18 15.237 -7.945 -2.497 1.00 0.00 ATOM 127 CB ASN 18 16.351 -8.443 -3.420 1.00 0.00 ATOM 128 CG ASN 18 16.931 -7.338 -4.282 1.00 0.00 ATOM 129 ND2 ASN 18 18.135 -7.561 -4.797 1.00 0.00 ATOM 130 OD1 ASN 18 16.303 -6.299 -4.479 1.00 0.00 ATOM 131 O ASN 18 13.440 -9.526 -2.544 1.00 0.00 ATOM 132 C ASN 18 14.481 -9.170 -1.995 1.00 0.00 ATOM 133 N GLU 19 14.998 -9.811 -0.947 1.00 0.00 ATOM 134 CA GLU 19 14.301 -10.961 -0.362 1.00 0.00 ATOM 135 CB GLU 19 15.057 -11.478 0.864 1.00 0.00 ATOM 136 CG GLU 19 14.428 -12.701 1.511 1.00 0.00 ATOM 137 CD GLU 19 15.222 -13.205 2.701 1.00 0.00 ATOM 138 OE1 GLU 19 16.271 -12.603 3.011 1.00 0.00 ATOM 139 OE2 GLU 19 14.794 -14.200 3.322 1.00 0.00 ATOM 140 O GLU 19 11.917 -11.276 -0.237 1.00 0.00 ATOM 141 C GLU 19 12.879 -10.571 0.078 1.00 0.00 ATOM 142 N VAL 20 12.744 -9.444 0.777 1.00 0.00 ATOM 143 CA VAL 20 11.418 -8.968 1.210 1.00 0.00 ATOM 144 CB VAL 20 11.529 -7.701 2.077 1.00 0.00 ATOM 145 CG1 VAL 20 10.150 -7.116 2.344 1.00 0.00 ATOM 146 CG2 VAL 20 12.180 -8.023 3.412 1.00 0.00 ATOM 147 O VAL 20 9.323 -8.870 0.000 1.00 0.00 ATOM 148 C VAL 20 10.528 -8.585 0.018 1.00 0.00 ATOM 149 N ILE 21 11.125 -7.932 -0.985 1.00 0.00 ATOM 150 CA ILE 21 10.366 -7.534 -2.164 1.00 0.00 ATOM 151 CB ILE 21 11.212 -6.731 -3.125 1.00 0.00 ATOM 152 CG1 ILE 21 11.543 -5.368 -2.560 1.00 0.00 ATOM 153 CG2 ILE 21 10.550 -6.609 -4.498 1.00 0.00 ATOM 154 CD1 ILE 21 12.748 -4.669 -3.155 1.00 0.00 ATOM 155 O ILE 21 8.601 -8.826 -3.177 1.00 0.00 ATOM 156 C ILE 21 9.785 -8.783 -2.852 1.00 0.00 ATOM 157 N LYS 22 10.615 -9.816 -3.056 1.00 0.00 ATOM 158 CA LYS 22 10.162 -11.025 -3.732 1.00 0.00 ATOM 159 CB LYS 22 11.347 -11.954 -3.998 1.00 0.00 ATOM 160 CG LYS 22 12.315 -11.440 -5.052 1.00 0.00 ATOM 161 CD LYS 22 13.463 -12.414 -5.269 1.00 0.00 ATOM 162 CE LYS 22 14.448 -11.883 -6.297 1.00 0.00 ATOM 163 NZ LYS 22 15.592 -12.814 -6.502 1.00 0.00 ATOM 164 O LYS 22 8.165 -12.316 -3.482 1.00 0.00 ATOM 165 C LYS 22 9.113 -11.765 -2.912 1.00 0.00 ATOM 166 N GLN 23 9.273 -11.781 -1.579 1.00 0.00 ATOM 167 CA GLN 23 8.302 -12.448 -0.706 1.00 0.00 ATOM 168 CB GLN 23 8.763 -12.516 0.707 1.00 0.00 ATOM 169 CG GLN 23 9.796 -13.613 0.927 1.00 0.00 ATOM 170 CD GLN 23 10.381 -13.599 2.326 1.00 0.00 ATOM 171 OE1 GLN 23 9.669 -13.398 3.306 1.00 0.00 ATOM 172 NE2 GLN 23 11.686 -13.826 2.422 1.00 0.00 ATOM 173 O GLN 23 5.893 -12.464 -0.903 1.00 0.00 ATOM 174 C GLN 23 6.928 -11.777 -0.834 1.00 0.00 ATOM 175 N LEU 24 6.928 -10.446 -0.868 1.00 0.00 ATOM 176 CA LEU 24 5.700 -9.659 -1.044 1.00 0.00 ATOM 177 CB LEU 24 6.010 -8.162 -0.989 1.00 0.00 ATOM 178 CG LEU 24 6.422 -7.604 0.374 1.00 0.00 ATOM 179 CD1 LEU 24 6.883 -6.160 0.247 1.00 0.00 ATOM 180 CD2 LEU 24 5.254 -7.647 1.347 1.00 0.00 ATOM 181 O LEU 24 3.906 -10.311 -2.500 1.00 0.00 ATOM 182 C LEU 24 5.093 -10.002 -2.399 1.00 0.00 ATOM 183 N ASP 25 5.917 -9.977 -3.437 1.00 0.00 ATOM 184 CA ASP 25 5.433 -10.262 -4.783 1.00 0.00 ATOM 185 CB ASP 25 6.643 -10.163 -5.767 1.00 0.00 ATOM 186 CG ASP 25 6.917 -8.748 -6.250 1.00 0.00 ATOM 187 OD1 ASP 25 6.040 -7.870 -6.087 1.00 0.00 ATOM 188 OD2 ASP 25 8.018 -8.519 -6.797 1.00 0.00 ATOM 189 O ASP 25 3.726 -11.832 -5.445 1.00 0.00 ATOM 190 C ASP 25 4.807 -11.659 -4.865 1.00 0.00 ATOM 191 N ASP 26 5.476 -12.646 -4.271 1.00 0.00 ATOM 192 CA ASP 26 4.990 -14.032 -4.291 1.00 0.00 ATOM 193 CB ASP 26 6.002 -14.966 -3.625 1.00 0.00 ATOM 194 CG ASP 26 7.239 -15.183 -4.472 1.00 0.00 ATOM 195 OD1 ASP 26 7.217 -14.813 -5.663 1.00 0.00 ATOM 196 OD2 ASP 26 8.234 -15.724 -3.942 1.00 0.00 ATOM 197 O ASP 26 2.709 -14.698 -4.120 1.00 0.00 ATOM 198 C ASP 26 3.655 -14.147 -3.558 1.00 0.00 ATOM 199 N LEU 27 3.595 -13.642 -2.356 1.00 0.00 ATOM 200 CA LEU 27 2.406 -13.738 -1.518 1.00 0.00 ATOM 201 CB LEU 27 2.687 -13.204 -0.112 1.00 0.00 ATOM 202 CG LEU 27 3.627 -14.042 0.756 1.00 0.00 ATOM 203 CD1 LEU 27 3.961 -13.311 2.048 1.00 0.00 ATOM 204 CD2 LEU 27 2.985 -15.373 1.114 1.00 0.00 ATOM 205 O LEU 27 0.096 -13.371 -2.064 1.00 0.00 ATOM 206 C LEU 27 1.247 -12.926 -2.105 1.00 0.00 ATOM 207 N GLU 28 1.545 -11.752 -2.659 1.00 0.00 ATOM 208 CA GLU 28 0.498 -10.906 -3.234 1.00 0.00 ATOM 209 CB GLU 28 1.484 -9.747 -4.059 1.00 0.00 ATOM 210 CG GLU 28 1.375 -10.003 -5.543 1.00 0.00 ATOM 211 CD GLU 28 2.200 -9.004 -6.343 1.00 0.00 ATOM 212 OE1 GLU 28 2.040 -8.940 -7.580 1.00 0.00 ATOM 213 OE2 GLU 28 3.017 -8.283 -5.735 1.00 0.00 ATOM 214 O GLU 28 -1.361 -11.579 -4.594 1.00 0.00 ATOM 215 C GLU 28 -0.139 -11.581 -4.445 1.00 0.00 ATOM 216 N VAL 29 0.691 -12.158 -5.308 1.00 0.00 ATOM 217 CA VAL 29 0.192 -12.838 -6.505 1.00 0.00 ATOM 218 CB VAL 29 1.365 -13.301 -7.423 1.00 0.00 ATOM 219 CG1 VAL 29 0.849 -14.138 -8.577 1.00 0.00 ATOM 220 CG2 VAL 29 2.097 -12.122 -7.955 1.00 0.00 ATOM 221 O VAL 29 -1.754 -14.253 -6.734 1.00 0.00 ATOM 222 C VAL 29 -0.702 -14.028 -6.118 1.00 0.00 ATOM 223 N GLN 30 -0.305 -14.749 -5.069 1.00 0.00 ATOM 224 CA GLN 30 -1.061 -15.918 -4.594 1.00 0.00 ATOM 225 CB GLN 30 -0.154 -16.629 -3.502 1.00 0.00 ATOM 226 CG GLN 30 1.065 -17.367 -4.050 1.00 0.00 ATOM 227 CD GLN 30 0.689 -18.408 -5.091 1.00 0.00 ATOM 228 OE1 GLN 30 -0.248 -19.189 -4.896 1.00 0.00 ATOM 229 NE2 GLN 30 1.424 -18.435 -6.198 1.00 0.00 ATOM 230 O GLN 30 -3.371 -16.364 -4.224 1.00 0.00 ATOM 231 C GLN 30 -2.456 -15.555 -4.118 1.00 0.00 ATOM 232 N ARG 31 -2.471 -14.291 -3.495 1.00 0.00 ATOM 233 CA ARG 31 -3.756 -13.840 -2.936 1.00 0.00 ATOM 234 CB ARG 31 -3.491 -12.910 -1.727 1.00 0.00 ATOM 235 CG ARG 31 -2.493 -13.416 -0.704 1.00 0.00 ATOM 236 CD ARG 31 -3.080 -14.521 0.160 1.00 0.00 ATOM 237 NE ARG 31 -2.137 -14.984 1.177 1.00 0.00 ATOM 238 CZ ARG 31 -1.559 -14.198 2.083 1.00 0.00 ATOM 239 NH1 ARG 31 -1.821 -12.895 2.105 1.00 0.00 ATOM 240 NH2 ARG 31 -0.725 -14.719 2.976 1.00 0.00 ATOM 241 O ARG 31 -5.485 -12.269 -3.468 1.00 0.00 ATOM 242 C ARG 31 -4.542 -12.936 -3.886 1.00 0.00 ATOM 243 N ASN 32 -4.123 -12.882 -5.177 1.00 0.00 ATOM 244 CA ASN 32 -4.795 -12.115 -6.220 1.00 0.00 ATOM 245 CB ASN 32 -6.253 -12.643 -6.396 1.00 0.00 ATOM 246 CG ASN 32 -6.940 -12.173 -7.682 1.00 0.00 ATOM 247 ND2 ASN 32 -8.200 -11.781 -7.557 1.00 0.00 ATOM 248 OD1 ASN 32 -6.352 -12.175 -8.765 1.00 0.00 ATOM 249 O ASN 32 -5.763 -9.931 -6.168 1.00 0.00 ATOM 250 C ASN 32 -4.777 -10.631 -5.932 1.00 0.00 ATOM 251 N LEU 33 -3.653 -10.143 -5.420 1.00 0.00 ATOM 252 CA LEU 33 -3.519 -8.726 -5.105 1.00 0.00 ATOM 253 CB LEU 33 -3.396 -8.508 -3.595 1.00 0.00 ATOM 254 CG LEU 33 -4.600 -8.925 -2.749 1.00 0.00 ATOM 255 CD1 LEU 33 -4.270 -8.844 -1.267 1.00 0.00 ATOM 256 CD2 LEU 33 -5.790 -8.019 -3.021 1.00 0.00 ATOM 257 O LEU 33 -1.378 -9.015 -6.193 1.00 0.00 ATOM 258 C LEU 33 -2.217 -8.217 -5.728 1.00 0.00 ATOM 259 N PRO 34 -2.077 -6.892 -5.752 1.00 0.00 ATOM 260 CA PRO 34 -0.860 -6.233 -6.194 1.00 0.00 ATOM 261 CB PRO 34 -1.362 -4.858 -6.636 1.00 0.00 ATOM 262 CG PRO 34 -2.464 -4.586 -5.646 1.00 0.00 ATOM 263 CD PRO 34 -3.166 -5.926 -5.497 1.00 0.00 ATOM 264 O PRO 34 -0.307 -6.238 -3.861 1.00 0.00 ATOM 265 C PRO 34 0.107 -6.122 -5.017 1.00 0.00 ATOM 266 N ARG 35 1.406 -5.931 -5.298 1.00 0.00 ATOM 267 CA ARG 35 2.336 -5.646 -4.206 1.00 0.00 ATOM 268 CB ARG 35 3.632 -4.854 -5.004 1.00 0.00 ATOM 269 CG ARG 35 3.786 -5.125 -6.485 1.00 0.00 ATOM 270 CD ARG 35 4.772 -4.171 -7.130 1.00 0.00 ATOM 271 NE ARG 35 4.369 -2.807 -6.858 1.00 0.00 ATOM 272 CZ ARG 35 5.080 -1.942 -6.149 1.00 0.00 ATOM 273 NH1 ARG 35 4.608 -0.717 -5.953 1.00 0.00 ATOM 274 NH2 ARG 35 6.267 -2.302 -5.659 1.00 0.00 ATOM 275 O ARG 35 2.064 -4.387 -2.180 1.00 0.00 ATOM 276 C ARG 35 1.915 -4.404 -3.401 1.00 0.00 ATOM 277 N ALA 36 1.383 -3.385 -4.078 1.00 0.00 ATOM 278 CA ALA 36 1.004 -2.141 -3.392 1.00 0.00 ATOM 279 CB ALA 36 0.475 -1.125 -4.392 1.00 0.00 ATOM 280 O ALA 36 0.047 -1.995 -1.197 1.00 0.00 ATOM 281 C ALA 36 -0.059 -2.440 -2.341 1.00 0.00 ATOM 282 N ASP 37 -1.083 -3.194 -2.728 1.00 0.00 ATOM 283 CA ASP 37 -2.160 -3.545 -1.803 1.00 0.00 ATOM 284 CB ASP 37 -3.180 -4.472 -2.409 1.00 0.00 ATOM 285 CG ASP 37 -4.370 -3.704 -2.971 1.00 0.00 ATOM 286 OD1 ASP 37 -4.607 -2.570 -2.516 1.00 0.00 ATOM 287 OD2 ASP 37 -5.148 -4.158 -3.852 1.00 0.00 ATOM 288 O ASP 37 -2.003 -4.105 0.509 1.00 0.00 ATOM 289 C ASP 37 -1.595 -4.327 -0.626 1.00 0.00 ATOM 290 N LEU 38 -0.685 -5.263 -0.894 1.00 0.00 ATOM 291 CA LEU 38 -0.076 -6.069 0.162 1.00 0.00 ATOM 292 CB LEU 38 0.935 -7.038 -0.453 1.00 0.00 ATOM 293 CG LEU 38 1.701 -7.930 0.527 1.00 0.00 ATOM 294 CD1 LEU 38 0.747 -8.832 1.294 1.00 0.00 ATOM 295 CD2 LEU 38 2.696 -8.810 -0.215 1.00 0.00 ATOM 296 O LEU 38 0.569 -5.386 2.405 1.00 0.00 ATOM 297 C LEU 38 0.678 -5.183 1.171 1.00 0.00 ATOM 298 N LEU 39 1.460 -4.232 0.657 1.00 0.00 ATOM 299 CA LEU 39 2.207 -3.323 1.529 1.00 0.00 ATOM 300 CB LEU 39 3.144 -2.445 0.709 1.00 0.00 ATOM 301 CG LEU 39 4.398 -3.145 0.185 1.00 0.00 ATOM 302 CD1 LEU 39 5.151 -2.227 -0.770 1.00 0.00 ATOM 303 CD2 LEU 39 5.280 -3.539 1.354 1.00 0.00 ATOM 304 O LEU 39 1.493 -2.296 3.572 1.00 0.00 ATOM 305 C LEU 39 1.251 -2.494 2.385 1.00 0.00 ATOM 306 N ARG 40 0.173 -2.020 1.789 1.00 0.00 ATOM 307 CA ARG 40 -0.814 -1.241 2.528 1.00 0.00 ATOM 308 CB ARG 40 -1.897 -0.715 1.584 1.00 0.00 ATOM 309 CG ARG 40 -2.952 0.142 2.264 1.00 0.00 ATOM 310 CD ARG 40 -3.927 0.722 1.253 1.00 0.00 ATOM 311 NE ARG 40 -4.973 1.516 1.896 1.00 0.00 ATOM 312 CZ ARG 40 -5.980 2.091 1.245 1.00 0.00 ATOM 313 NH1 ARG 40 -6.884 2.794 1.913 1.00 0.00 ATOM 314 NH2 ARG 40 -6.078 1.964 -0.071 1.00 0.00 ATOM 315 O ARG 40 -1.701 -1.632 4.723 1.00 0.00 ATOM 316 C ARG 40 -1.467 -2.098 3.606 1.00 0.00 ATOM 317 N GLU 41 -1.762 -3.350 3.273 1.00 0.00 ATOM 318 CA GLU 41 -2.386 -4.260 4.226 1.00 0.00 ATOM 319 CB GLU 41 -2.783 -5.575 3.589 1.00 0.00 ATOM 320 CG GLU 41 -3.664 -6.432 4.491 1.00 0.00 ATOM 321 CD GLU 41 -3.957 -7.805 3.916 1.00 0.00 ATOM 322 OE1 GLU 41 -4.315 -7.893 2.724 1.00 0.00 ATOM 323 OE2 GLU 41 -3.840 -8.797 4.665 1.00 0.00 ATOM 324 O GLU 41 -1.859 -4.535 6.562 1.00 0.00 ATOM 325 C GLU 41 -1.439 -4.541 5.400 1.00 0.00 ATOM 326 N ALA 42 -0.165 -4.797 5.099 1.00 0.00 ATOM 327 CA ALA 42 0.803 -5.067 6.161 1.00 0.00 ATOM 328 CB ALA 42 2.152 -5.520 5.590 1.00 0.00 ATOM 329 O ALA 42 1.038 -3.962 8.277 1.00 0.00 ATOM 330 C ALA 42 0.971 -3.842 7.053 1.00 0.00 ATOM 331 N VAL 43 1.043 -2.661 6.424 1.00 0.00 ATOM 332 CA VAL 43 1.209 -1.431 7.170 1.00 0.00 ATOM 333 CB VAL 43 1.466 -0.208 6.215 1.00 0.00 ATOM 334 CG1 VAL 43 1.632 1.071 7.027 1.00 0.00 ATOM 335 CG2 VAL 43 2.683 -0.434 5.325 1.00 0.00 ATOM 336 O VAL 43 0.215 -0.841 9.272 1.00 0.00 ATOM 337 C VAL 43 0.031 -1.226 8.118 1.00 0.00 ATOM 338 N ASP 44 -1.175 -1.506 7.634 1.00 0.00 ATOM 339 CA ASP 44 -2.369 -1.348 8.452 1.00 0.00 ATOM 340 CB ASP 44 -3.524 -2.296 7.740 1.00 0.00 ATOM 341 CG ASP 44 -4.974 -1.857 7.796 1.00 0.00 ATOM 342 OD1 ASP 44 -5.371 -1.010 6.962 1.00 0.00 ATOM 343 OD2 ASP 44 -5.710 -2.350 8.681 1.00 0.00 ATOM 344 O ASP 44 -2.694 -1.921 10.760 1.00 0.00 ATOM 345 C ASP 44 -2.339 -2.298 9.642 1.00 0.00 ATOM 346 N GLN 45 -1.949 -3.554 9.417 1.00 0.00 ATOM 347 CA GLN 45 -1.872 -4.537 10.488 1.00 0.00 ATOM 348 CB GLN 45 -1.496 -5.909 9.955 1.00 0.00 ATOM 349 CG GLN 45 -2.460 -6.408 8.888 1.00 0.00 ATOM 350 CD GLN 45 -2.067 -7.757 8.323 1.00 0.00 ATOM 351 OE1 GLN 45 -0.885 -8.043 8.136 1.00 0.00 ATOM 352 NE2 GLN 45 -3.061 -8.587 8.030 1.00 0.00 ATOM 353 O GLN 45 -1.051 -4.221 12.710 1.00 0.00 ATOM 354 C GLN 45 -0.823 -4.144 11.502 1.00 0.00 ATOM 355 N TYR 46 0.337 -3.716 11.013 1.00 0.00 ATOM 356 CA TYR 46 1.424 -3.307 11.895 1.00 0.00 ATOM 357 CB TYR 46 2.685 -2.975 11.097 1.00 0.00 ATOM 358 CG TYR 46 3.852 -2.533 11.951 1.00 0.00 ATOM 359 CD1 TYR 46 4.605 -3.459 12.661 1.00 0.00 ATOM 360 CD2 TYR 46 4.196 -1.191 12.047 1.00 0.00 ATOM 361 CE1 TYR 46 5.674 -3.066 13.445 1.00 0.00 ATOM 362 CE2 TYR 46 5.261 -0.778 12.826 1.00 0.00 ATOM 363 CZ TYR 46 6.000 -1.729 13.528 1.00 0.00 ATOM 364 OH TYR 46 7.063 -1.334 14.307 1.00 0.00 ATOM 365 O TYR 46 1.261 -2.028 13.912 1.00 0.00 ATOM 366 C TYR 46 1.037 -2.074 12.702 1.00 0.00 ATOM 367 N LEU 47 0.399 -1.062 12.054 1.00 0.00 ATOM 368 CA LEU 47 -0.004 0.160 12.738 1.00 0.00 ATOM 369 CB LEU 47 -0.667 1.135 11.763 1.00 0.00 ATOM 370 CG LEU 47 -1.198 2.438 12.364 1.00 0.00 ATOM 371 CD1 LEU 47 -0.066 3.248 12.977 1.00 0.00 ATOM 372 CD2 LEU 47 -1.866 3.289 11.295 1.00 0.00 ATOM 373 O LEU 47 -0.908 0.326 14.955 1.00 0.00 ATOM 374 C LEU 47 -1.035 -0.136 13.821 1.00 0.00 ATOM 375 N ILE 48 -2.060 -0.915 13.481 1.00 0.00 ATOM 376 CA ILE 48 -3.097 -1.260 14.437 1.00 0.00 ATOM 377 CB ILE 48 -4.249 -2.043 13.780 1.00 0.00 ATOM 378 CG1 ILE 48 -5.002 -1.155 12.788 1.00 0.00 ATOM 379 CG2 ILE 48 -5.232 -2.527 14.835 1.00 0.00 ATOM 380 CD1 ILE 48 -5.978 -1.908 11.911 1.00 0.00 ATOM 381 O ILE 48 -2.882 -1.922 16.739 1.00 0.00 ATOM 382 C ILE 48 -2.544 -2.125 15.577 1.00 0.00 ATOM 383 N ASN 49 -1.666 -3.093 15.247 1.00 0.00 ATOM 384 CA ASN 49 -1.084 -3.953 16.276 1.00 0.00 ATOM 385 CB ASN 49 -0.162 -4.981 15.618 1.00 0.00 ATOM 386 CG ASN 49 -0.919 -5.980 14.765 1.00 0.00 ATOM 387 ND2 ASN 49 -0.214 -6.619 13.838 1.00 0.00 ATOM 388 OD1 ASN 49 -2.122 -6.173 14.937 1.00 0.00 ATOM 389 O ASN 49 -0.244 -3.544 18.459 1.00 0.00 ATOM 390 C ASN 49 -0.307 -3.165 17.312 1.00 0.00 ATOM 391 N GLN 50 0.306 -2.065 16.874 1.00 0.00 ATOM 392 CA GLN 50 1.145 -1.274 17.754 1.00 0.00 ATOM 393 CB GLN 50 2.431 -0.848 17.043 1.00 0.00 ATOM 394 CG GLN 50 3.276 -2.009 16.540 1.00 0.00 ATOM 395 CD GLN 50 3.796 -2.880 17.667 1.00 0.00 ATOM 396 OE1 GLN 50 4.290 -2.378 18.676 1.00 0.00 ATOM 397 NE2 GLN 50 3.685 -4.193 17.496 1.00 0.00 ATOM 398 O GLN 50 1.040 0.684 19.165 1.00 0.00 ATOM 399 C GLN 50 0.441 -0.099 18.422 1.00 0.00 ATOM 400 N SER 51 -0.810 0.131 18.105 1.00 0.00 ATOM 401 CA SER 51 -1.648 1.221 18.647 1.00 0.00 ATOM 402 CB SER 51 -1.564 1.285 20.174 1.00 0.00 ATOM 403 OG SER 51 -2.104 0.115 20.764 1.00 0.00 ATOM 404 O SER 51 -1.219 3.561 18.854 1.00 0.00 ATOM 405 C SER 51 -1.174 2.582 18.133 1.00 0.00 ATOM 406 N GLN 52 -0.746 2.602 16.808 1.00 0.00 ATOM 407 CA GLN 52 -0.281 3.799 16.137 1.00 0.00 ATOM 408 CB GLN 52 -1.204 4.984 16.449 1.00 0.00 ATOM 409 CG GLN 52 -2.656 4.725 16.070 1.00 0.00 ATOM 410 CD GLN 52 -3.546 5.941 16.234 1.00 0.00 ATOM 411 OE1 GLN 52 -4.767 5.813 16.362 1.00 0.00 ATOM 412 NE2 GLN 52 -2.948 7.126 16.213 1.00 0.00 ATOM 413 O GLN 52 1.702 5.144 16.135 1.00 0.00 ATOM 414 C GLN 52 1.119 4.190 16.619 1.00 0.00 ATOM 415 N THR 53 1.681 3.386 17.507 1.00 0.00 ATOM 416 CA THR 53 3.053 3.589 17.973 1.00 0.00 ATOM 417 CB THR 53 3.209 3.091 19.421 1.00 0.00 ATOM 418 CG2 THR 53 4.617 3.358 19.930 1.00 0.00 ATOM 419 OG1 THR 53 2.273 3.772 20.267 1.00 0.00 ATOM 420 O THR 53 4.442 1.703 17.355 1.00 0.00 ATOM 421 C THR 53 4.040 2.839 17.072 1.00 0.00 ATOM 422 N ALA 54 4.410 3.486 15.972 1.00 0.00 ATOM 423 CA ALA 54 5.284 2.901 14.947 1.00 0.00 ATOM 424 CB ALA 54 4.451 2.397 13.779 1.00 0.00 ATOM 425 O ALA 54 5.865 5.196 14.511 1.00 0.00 ATOM 426 C ALA 54 6.224 4.015 14.486 1.00 0.00 ATOM 427 N ARG 55 7.478 3.683 14.143 1.00 0.00 ATOM 428 CA ARG 55 8.462 4.650 13.666 1.00 0.00 ATOM 429 CB ARG 55 9.806 3.963 13.363 1.00 0.00 ATOM 430 CG ARG 55 10.543 3.381 14.553 1.00 0.00 ATOM 431 CD ARG 55 11.897 2.816 14.114 1.00 0.00 ATOM 432 NE ARG 55 11.756 1.775 13.096 1.00 0.00 ATOM 433 CZ ARG 55 11.387 0.524 13.352 1.00 0.00 ATOM 434 NH1 ARG 55 11.124 0.136 14.592 1.00 0.00 ATOM 435 NH2 ARG 55 11.247 -0.342 12.358 1.00 0.00 ATOM 436 O ARG 55 7.031 4.896 11.724 1.00 0.00 ATOM 437 C ARG 55 7.947 5.404 12.419 1.00 0.00 ATOM 438 N THR 56 8.522 6.578 12.130 1.00 0.00 ATOM 439 CA THR 56 8.103 7.398 11.004 1.00 0.00 ATOM 440 CB THR 56 9.045 8.598 10.800 1.00 0.00 ATOM 441 CG2 THR 56 8.614 9.415 9.591 1.00 0.00 ATOM 442 OG1 THR 56 9.015 9.437 11.961 1.00 0.00 ATOM 443 O THR 56 7.207 6.753 8.868 1.00 0.00 ATOM 444 C THR 56 8.107 6.592 9.705 1.00 0.00 ATOM 445 N SER 57 9.133 5.743 9.535 1.00 0.00 ATOM 446 CA SER 57 9.305 5.017 8.272 1.00 0.00 ATOM 447 CB SER 57 10.522 4.094 8.347 1.00 0.00 ATOM 448 OG SER 57 10.324 3.064 9.301 1.00 0.00 ATOM 449 O SER 57 7.717 4.012 6.777 1.00 0.00 ATOM 450 C SER 57 8.087 4.167 7.929 1.00 0.00 ATOM 451 N VAL 58 7.440 3.652 8.947 1.00 0.00 ATOM 452 CA VAL 58 6.247 2.798 8.790 1.00 0.00 ATOM 453 CB VAL 58 5.812 2.188 10.135 1.00 0.00 ATOM 454 CG1 VAL 58 4.486 1.458 9.984 1.00 0.00 ATOM 455 CG2 VAL 58 6.853 1.197 10.633 1.00 0.00 ATOM 456 O VAL 58 4.493 3.289 7.230 1.00 0.00 ATOM 457 C VAL 58 5.114 3.632 8.241 1.00 0.00 ATOM 458 N PRO 59 4.947 4.800 8.818 1.00 0.00 ATOM 459 CA PRO 59 3.957 5.726 8.296 1.00 0.00 ATOM 460 CB PRO 59 3.838 6.780 9.457 1.00 0.00 ATOM 461 CG PRO 59 4.709 6.347 10.539 1.00 0.00 ATOM 462 CD PRO 59 5.183 4.979 10.215 1.00 0.00 ATOM 463 O PRO 59 3.381 6.459 6.096 1.00 0.00 ATOM 464 C PRO 59 4.295 6.253 6.919 1.00 0.00 ATOM 465 N GLY 60 5.647 6.443 6.622 1.00 0.00 ATOM 466 CA GLY 60 6.110 6.930 5.355 1.00 0.00 ATOM 467 O GLY 60 5.054 6.517 3.211 1.00 0.00 ATOM 468 C GLY 60 5.693 6.042 4.152 1.00 0.00 ATOM 469 N ILE 61 6.248 4.828 4.078 1.00 0.00 ATOM 470 CA ILE 61 5.767 3.784 3.195 1.00 0.00 ATOM 471 CB ILE 61 6.360 2.413 3.567 1.00 0.00 ATOM 472 CG1 ILE 61 7.864 2.386 3.286 1.00 0.00 ATOM 473 CG2 ILE 61 5.700 1.309 2.755 1.00 0.00 ATOM 474 CD1 ILE 61 8.573 1.185 3.870 1.00 0.00 ATOM 475 O ILE 61 3.634 3.361 2.177 1.00 0.00 ATOM 476 C ILE 61 4.256 3.615 3.218 1.00 0.00 ATOM 477 N TRP 62 3.700 3.437 4.375 1.00 0.00 ATOM 478 CA TRP 62 2.220 3.259 4.428 1.00 0.00 ATOM 479 CB TRP 62 1.760 3.936 5.929 1.00 0.00 ATOM 480 CG TRP 62 0.299 3.762 6.359 1.00 0.00 ATOM 481 CD1 TRP 62 -0.375 2.565 6.562 1.00 0.00 ATOM 482 CD2 TRP 62 -0.613 4.793 6.757 1.00 0.00 ATOM 483 CE2 TRP 62 -1.811 4.162 7.196 1.00 0.00 ATOM 484 CE3 TRP 62 -0.541 6.198 6.796 1.00 0.00 ATOM 485 NE1 TRP 62 -1.634 2.810 7.064 1.00 0.00 ATOM 486 CZ2 TRP 62 -2.916 4.876 7.668 1.00 0.00 ATOM 487 CZ3 TRP 62 -1.648 6.917 7.272 1.00 0.00 ATOM 488 CH2 TRP 62 -2.822 6.253 7.701 1.00 0.00 ATOM 489 O TRP 62 0.568 4.114 2.917 1.00 0.00 ATOM 490 C TRP 62 1.496 4.372 3.684 1.00 0.00 ATOM 491 N GLN 63 1.915 5.612 3.918 1.00 0.00 ATOM 492 CA GLN 63 1.295 6.755 3.258 1.00 0.00 ATOM 493 CB GLN 63 2.000 8.030 3.725 1.00 0.00 ATOM 494 CG GLN 63 1.714 8.402 5.172 1.00 0.00 ATOM 495 CD GLN 63 2.530 9.591 5.640 1.00 0.00 ATOM 496 OE1 GLN 63 3.377 10.103 4.906 1.00 0.00 ATOM 497 NE2 GLN 63 2.275 10.037 6.864 1.00 0.00 ATOM 498 O GLN 63 0.561 7.101 0.989 1.00 0.00 ATOM 499 C GLN 63 1.475 6.745 1.736 1.00 0.00 ATOM 500 N GLY 64 2.702 6.288 1.266 1.00 0.00 ATOM 501 CA GLY 64 2.963 6.148 -0.157 1.00 0.00 ATOM 502 O GLY 64 1.488 5.439 -1.898 1.00 0.00 ATOM 503 C GLY 64 2.029 5.136 -0.831 1.00 0.00 ATOM 504 N CYS 65 1.909 3.924 -0.288 1.00 0.00 ATOM 505 CA CYS 65 1.058 2.919 -0.919 1.00 0.00 ATOM 506 CB CYS 65 1.444 1.519 -0.311 1.00 0.00 ATOM 507 SG CYS 65 3.081 0.847 -0.772 1.00 0.00 ATOM 508 O CYS 65 -1.190 2.917 -1.672 1.00 0.00 ATOM 509 C CYS 65 -0.404 3.254 -0.762 1.00 0.00 ATOM 510 N GLU 66 -0.814 3.978 0.278 1.00 0.00 ATOM 511 CA GLU 66 -2.162 4.506 0.336 1.00 0.00 ATOM 512 CB GLU 66 -2.359 5.394 1.557 1.00 0.00 ATOM 513 CG GLU 66 -3.833 5.700 1.808 1.00 0.00 ATOM 514 CD GLU 66 -4.043 6.336 3.167 1.00 0.00 ATOM 515 OE1 GLU 66 -3.092 7.023 3.609 1.00 0.00 ATOM 516 OE2 GLU 66 -5.120 6.123 3.787 1.00 0.00 ATOM 517 O GLU 66 -3.528 5.488 -1.358 1.00 0.00 ATOM 518 C GLU 66 -2.424 5.461 -0.811 1.00 0.00 ATOM 519 N GLU 67 -1.354 6.236 -1.289 1.00 0.00 ATOM 520 CA GLU 67 -1.614 7.058 -2.466 1.00 0.00 ATOM 521 CB GLU 67 -0.967 8.457 -2.196 1.00 0.00 ATOM 522 CG GLU 67 -1.075 9.359 -3.408 1.00 0.00 ATOM 523 CD GLU 67 -0.568 10.755 -3.109 1.00 0.00 ATOM 524 OE1 GLU 67 -0.126 11.420 -4.063 1.00 0.00 ATOM 525 OE2 GLU 67 -0.617 11.181 -1.937 1.00 0.00 ATOM 526 O GLU 67 -1.837 6.421 -4.751 1.00 0.00 ATOM 527 C GLU 67 -1.176 6.354 -3.729 1.00 0.00 ATOM 528 N ASP 68 -0.082 5.612 -3.634 1.00 0.00 ATOM 529 CA ASP 68 0.433 4.860 -4.758 1.00 0.00 ATOM 530 CB ASP 68 1.692 4.157 -4.532 1.00 0.00 ATOM 531 CG ASP 68 2.856 5.163 -4.381 1.00 0.00 ATOM 532 OD1 ASP 68 2.680 6.373 -4.649 1.00 0.00 ATOM 533 OD2 ASP 68 3.970 4.738 -3.986 1.00 0.00 ATOM 534 O ASP 68 -1.035 3.735 -6.273 1.00 0.00 ATOM 535 C ASP 68 -0.612 3.806 -5.140 1.00 0.00 ATOM 536 N GLY 69 -1.209 3.114 -4.085 1.00 0.00 ATOM 537 CA GLY 69 -2.233 2.101 -4.311 1.00 0.00 ATOM 538 O GLY 69 -4.104 2.054 -5.818 1.00 0.00 ATOM 539 C GLY 69 -3.501 2.677 -4.944 1.00 0.00 ATOM 540 N VAL 70 -3.885 3.868 -4.554 1.00 0.00 ATOM 541 CA VAL 70 -5.088 4.483 -5.105 1.00 0.00 ATOM 542 CB VAL 70 -5.451 5.783 -4.360 1.00 0.00 ATOM 543 CG1 VAL 70 -6.568 6.517 -5.087 1.00 0.00 ATOM 544 CG2 VAL 70 -5.917 5.475 -2.947 1.00 0.00 ATOM 545 O VAL 70 -5.744 4.465 -7.411 1.00 0.00 ATOM 546 C VAL 70 -4.892 4.795 -6.583 1.00 0.00 ATOM 547 N GLU 71 -3.583 5.508 -6.878 1.00 0.00 ATOM 548 CA GLU 71 -3.547 5.741 -8.318 1.00 0.00 ATOM 549 CB GLU 71 -2.609 6.903 -8.655 1.00 0.00 ATOM 550 CG GLU 71 -3.109 8.259 -8.183 1.00 0.00 ATOM 551 CD GLU 71 -2.101 9.366 -8.424 1.00 0.00 ATOM 552 OE1 GLU 71 -0.984 9.061 -8.892 1.00 0.00 ATOM 553 OE2 GLU 71 -2.429 10.539 -8.144 1.00 0.00 ATOM 554 O GLU 71 -3.646 4.122 -10.098 1.00 0.00 ATOM 555 C GLU 71 -3.073 4.502 -9.073 1.00 0.00 ATOM 556 N TYR 72 -2.021 3.874 -8.565 1.00 0.00 ATOM 557 CA TYR 72 -1.482 2.676 -9.190 1.00 0.00 ATOM 558 CB TYR 72 -0.274 2.158 -8.405 1.00 0.00 ATOM 559 CG TYR 72 0.323 0.888 -8.968 1.00 0.00 ATOM 560 CD1 TYR 72 1.170 0.927 -10.067 1.00 0.00 ATOM 561 CD2 TYR 72 0.037 -0.345 -8.396 1.00 0.00 ATOM 562 CE1 TYR 72 1.720 -0.228 -10.589 1.00 0.00 ATOM 563 CE2 TYR 72 0.578 -1.512 -8.903 1.00 0.00 ATOM 564 CZ TYR 72 1.426 -1.444 -10.008 1.00 0.00 ATOM 565 OH TYR 72 1.973 -2.596 -10.524 1.00 0.00 ATOM 566 O TYR 72 -2.687 0.925 -10.304 1.00 0.00 ATOM 567 C TYR 72 -2.520 1.562 -9.262 1.00 0.00 ATOM 568 N GLN 73 -3.236 1.345 -8.163 1.00 0.00 ATOM 569 CA GLN 73 -4.263 0.301 -8.119 1.00 0.00 ATOM 570 CB GLN 73 -4.934 0.232 -6.788 1.00 0.00 ATOM 571 CG GLN 73 -5.992 -0.840 -6.702 1.00 0.00 ATOM 572 CD GLN 73 -6.600 -0.986 -5.360 1.00 0.00 ATOM 573 OE1 GLN 73 -6.102 -0.440 -4.403 1.00 0.00 ATOM 574 NE2 GLN 73 -7.611 -1.744 -5.209 1.00 0.00 ATOM 575 O GLN 73 -5.729 -0.356 -9.905 1.00 0.00 ATOM 576 C GLN 73 -5.347 0.554 -9.168 1.00 0.00 ATOM 577 N ARG 74 -5.839 1.787 -9.231 1.00 0.00 ATOM 578 CA ARG 74 -6.875 2.138 -10.195 1.00 0.00 ATOM 579 CB ARG 74 -7.145 3.644 -10.188 1.00 0.00 ATOM 580 CG ARG 74 -7.855 4.141 -8.939 1.00 0.00 ATOM 581 CD ARG 74 -8.050 5.649 -8.978 1.00 0.00 ATOM 582 NE ARG 74 -8.688 6.149 -7.763 1.00 0.00 ATOM 583 CZ ARG 74 -8.922 7.434 -7.517 1.00 0.00 ATOM 584 NH1 ARG 74 -9.506 7.797 -6.384 1.00 0.00 ATOM 585 NH2 ARG 74 -8.569 8.354 -8.405 1.00 0.00 ATOM 586 O ARG 74 -7.245 1.077 -12.291 1.00 0.00 ATOM 587 C ARG 74 -6.448 1.748 -11.602 1.00 0.00 ATOM 588 N LYS 75 -5.257 2.142 -12.023 1.00 0.00 ATOM 589 CA LYS 75 -4.738 1.653 -13.308 1.00 0.00 ATOM 590 CB LYS 75 -3.371 2.284 -13.578 1.00 0.00 ATOM 591 CG LYS 75 -2.752 1.879 -14.905 1.00 0.00 ATOM 592 CD LYS 75 -1.434 2.601 -15.143 1.00 0.00 ATOM 593 CE LYS 75 -0.800 2.173 -16.456 1.00 0.00 ATOM 594 NZ LYS 75 0.499 2.862 -16.696 1.00 0.00 ATOM 595 O LYS 75 -4.899 -0.528 -14.291 1.00 0.00 ATOM 596 C LYS 75 -4.571 0.137 -13.310 1.00 0.00 ATOM 597 N LEU 76 -4.061 -0.400 -12.210 1.00 0.00 ATOM 598 CA LEU 76 -3.861 -1.841 -12.107 1.00 0.00 ATOM 599 CB LEU 76 -3.171 -2.193 -10.788 1.00 0.00 ATOM 600 CG LEU 76 -2.879 -3.676 -10.551 1.00 0.00 ATOM 601 CD1 LEU 76 -1.941 -4.216 -11.619 1.00 0.00 ATOM 602 CD2 LEU 76 -2.223 -3.884 -9.194 1.00 0.00 ATOM 603 O LEU 76 -5.330 -3.579 -12.870 1.00 0.00 ATOM 604 C LEU 76 -5.192 -2.581 -12.168 1.00 0.00 ATOM 605 N ARG 77 -6.194 -2.095 -11.426 1.00 0.00 ATOM 606 CA ARG 77 -7.491 -2.749 -11.402 1.00 0.00 ATOM 607 CB ARG 77 -8.346 -1.951 -10.341 1.00 0.00 ATOM 608 CG ARG 77 -9.794 -2.444 -10.292 1.00 0.00 ATOM 609 CD ARG 77 -10.738 -1.458 -9.639 1.00 0.00 ATOM 610 NE ARG 77 -11.864 -2.120 -9.052 1.00 0.00 ATOM 611 CZ ARG 77 -12.967 -2.449 -9.670 1.00 0.00 ATOM 612 NH1 ARG 77 -13.165 -2.175 -10.973 1.00 0.00 ATOM 613 NH2 ARG 77 -13.913 -3.077 -8.973 1.00 0.00 ATOM 614 O ARG 77 -8.833 -3.652 -13.169 1.00 0.00 ATOM 615 C ARG 77 -8.173 -2.696 -12.770 1.00 0.00 ATOM 616 N GLU 78 -8.023 -1.619 -13.511 1.00 0.00 ATOM 617 CA GLU 78 -8.649 -1.492 -14.827 1.00 0.00 ATOM 618 CB GLU 78 -8.582 -0.057 -15.353 1.00 0.00 ATOM 619 CG GLU 78 -9.419 0.935 -14.563 1.00 0.00 ATOM 620 CD GLU 78 -9.244 2.360 -15.046 1.00 0.00 ATOM 621 OE1 GLU 78 -8.447 2.577 -15.983 1.00 0.00 ATOM 622 OE2 GLU 78 -9.901 3.262 -14.486 1.00 0.00 ATOM 623 O GLU 78 -8.881 -3.084 -16.579 1.00 0.00 ATOM 624 C GLU 78 -8.105 -2.548 -15.781 1.00 0.00 ATOM 625 N GLU 79 -6.855 -2.820 -15.684 1.00 0.00 ATOM 626 CA GLU 79 -6.248 -3.830 -16.545 1.00 0.00 ATOM 627 CB GLU 79 -4.733 -3.894 -16.295 1.00 0.00 ATOM 628 CG GLU 79 -3.941 -2.718 -16.845 1.00 0.00 ATOM 629 CD GLU 79 -3.992 -2.653 -18.356 1.00 0.00 ATOM 630 OE1 GLU 79 -4.096 -3.724 -18.988 1.00 0.00 ATOM 631 OE2 GLU 79 -3.914 -1.539 -18.919 1.00 0.00 ATOM 632 O GLU 79 -6.581 -6.132 -17.114 1.00 0.00 ATOM 633 C GLU 79 -6.729 -5.248 -16.270 1.00 0.00 ATOM 634 N TRP 80 -7.282 -5.494 -15.092 1.00 0.00 ATOM 635 CA TRP 80 -7.769 -6.819 -14.736 1.00 0.00 ATOM 636 CB TRP 80 -7.658 -7.071 -13.228 1.00 0.00 ATOM 637 CG TRP 80 -6.248 -6.975 -12.678 1.00 0.00 ATOM 638 CD1 TRP 80 -5.096 -6.746 -13.381 1.00 0.00 ATOM 639 CD2 TRP 80 -5.860 -7.103 -11.305 1.00 0.00 ATOM 640 CE2 TRP 80 -4.457 -6.940 -11.249 1.00 0.00 ATOM 641 CE3 TRP 80 -6.564 -7.339 -10.115 1.00 0.00 ATOM 642 NE1 TRP 80 -4.017 -6.723 -12.527 1.00 0.00 ATOM 643 CZ2 TRP 80 -3.743 -7.006 -10.046 1.00 0.00 ATOM 644 CZ3 TRP 80 -5.855 -7.402 -8.919 1.00 0.00 ATOM 645 CH2 TRP 80 -4.457 -7.236 -8.896 1.00 0.00 ATOM 646 O TRP 80 -10.142 -7.043 -14.362 1.00 0.00 ATOM 647 C TRP 80 -9.225 -6.931 -15.178 1.00 0.00 TER END