PFRMAT TS TARGET T0602 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 T0602 model 4 Wed Jun 23 20:04:36 2010 MODEL 4 PARENT N/A ATOM 2 N ASN 2 18.719 9.955 2.793 1.00 0.00 ATOM 3 CA ASN 2 18.700 9.144 1.573 1.00 0.00 ATOM 4 CB ASN 2 20.110 8.659 1.230 1.00 0.00 ATOM 5 CG ASN 2 20.993 9.768 0.694 1.00 0.00 ATOM 6 ND2 ASN 2 22.303 9.547 0.725 1.00 0.00 ATOM 7 OD1 ASN 2 20.503 10.810 0.259 1.00 0.00 ATOM 8 O ASN 2 16.932 7.718 0.796 1.00 0.00 ATOM 9 C ASN 2 17.752 7.954 1.681 1.00 0.00 ATOM 10 N ALA 3 17.870 7.207 2.776 1.00 0.00 ATOM 11 CA ALA 3 17.018 6.051 2.981 1.00 0.00 ATOM 12 CB ALA 3 17.859 4.802 3.191 1.00 0.00 ATOM 13 O ALA 3 15.651 7.342 4.458 1.00 0.00 ATOM 14 C ALA 3 16.074 6.227 4.153 1.00 0.00 ATOM 15 N MET 4 15.745 5.123 4.814 1.00 0.00 ATOM 16 CA MET 4 14.844 5.159 5.962 1.00 0.00 ATOM 17 CB MET 4 13.781 4.064 5.844 1.00 0.00 ATOM 18 CG MET 4 12.931 4.156 4.586 1.00 0.00 ATOM 19 SD MET 4 11.956 5.670 4.516 1.00 0.00 ATOM 20 CE MET 4 10.788 5.381 5.843 1.00 0.00 ATOM 21 O MET 4 16.688 4.397 7.313 1.00 0.00 ATOM 22 C MET 4 15.617 5.002 7.267 1.00 0.00 ATOM 23 N GLU 5 15.063 5.559 8.354 1.00 0.00 ATOM 24 CA GLU 5 15.683 5.493 9.682 1.00 0.00 ATOM 25 CB GLU 5 14.990 6.457 10.645 1.00 0.00 ATOM 26 CG GLU 5 15.591 6.476 12.042 1.00 0.00 ATOM 27 CD GLU 5 17.008 7.016 12.060 1.00 0.00 ATOM 28 OE1 GLU 5 17.393 7.706 11.093 1.00 0.00 ATOM 29 OE2 GLU 5 17.733 6.746 13.041 1.00 0.00 ATOM 30 O GLU 5 16.675 3.563 10.709 1.00 0.00 ATOM 31 C GLU 5 15.652 4.084 10.266 1.00 0.00 ATOM 32 N ARG 6 14.471 3.473 10.261 1.00 0.00 ATOM 33 CA ARG 6 14.307 2.127 10.794 1.00 0.00 ATOM 34 CB ARG 6 13.421 2.149 12.042 1.00 0.00 ATOM 35 CG ARG 6 14.007 2.936 13.204 1.00 0.00 ATOM 36 CD ARG 6 15.211 2.228 13.800 1.00 0.00 ATOM 37 NE ARG 6 15.774 2.961 14.932 1.00 0.00 ATOM 38 CZ ARG 6 16.708 3.899 14.823 1.00 0.00 ATOM 39 NH1 ARG 6 17.159 4.514 15.909 1.00 0.00 ATOM 40 NH2 ARG 6 17.191 4.221 13.631 1.00 0.00 ATOM 41 O ARG 6 12.613 1.429 9.237 1.00 0.00 ATOM 42 C ARG 6 13.711 1.195 9.743 1.00 0.00 ATOM 43 N HIS 7 14.446 0.136 9.416 1.00 0.00 ATOM 44 CA HIS 7 13.992 -0.832 8.424 1.00 0.00 ATOM 45 CB HIS 7 15.106 -1.831 8.102 1.00 0.00 ATOM 46 CG HIS 7 14.731 -2.838 7.060 1.00 0.00 ATOM 47 CD2 HIS 7 14.434 -4.264 7.054 1.00 0.00 ATOM 48 ND1 HIS 7 14.589 -2.513 5.730 1.00 0.00 ATOM 49 CE1 HIS 7 14.249 -3.620 5.042 1.00 0.00 ATOM 50 NE2 HIS 7 14.155 -4.672 5.832 1.00 0.00 ATOM 51 O HIS 7 11.735 -1.613 8.211 1.00 0.00 ATOM 52 C HIS 7 12.750 -1.572 8.905 1.00 0.00 ATOM 53 N GLN 8 12.838 -2.153 10.096 1.00 0.00 ATOM 54 CA GLN 8 11.718 -2.892 10.670 1.00 0.00 ATOM 55 CB GLN 8 12.102 -3.473 12.032 1.00 0.00 ATOM 56 CG GLN 8 13.111 -4.608 11.962 1.00 0.00 ATOM 57 CD GLN 8 13.552 -5.082 13.333 1.00 0.00 ATOM 58 OE1 GLN 8 13.357 -4.389 14.332 1.00 0.00 ATOM 59 NE2 GLN 8 14.148 -6.268 13.385 1.00 0.00 ATOM 60 O GLN 8 9.387 -2.377 10.406 1.00 0.00 ATOM 61 C GLN 8 10.489 -1.999 10.804 1.00 0.00 ATOM 62 N HIS 9 10.686 -0.813 11.369 1.00 0.00 ATOM 63 CA HIS 9 9.595 0.136 11.557 1.00 0.00 ATOM 64 CB HIS 9 10.128 1.468 12.088 1.00 0.00 ATOM 65 CG HIS 9 10.595 1.409 13.509 1.00 0.00 ATOM 66 CD2 HIS 9 10.579 0.410 14.567 1.00 0.00 ATOM 67 ND1 HIS 9 11.214 2.470 14.132 1.00 0.00 ATOM 68 CE1 HIS 9 11.515 2.119 15.395 1.00 0.00 ATOM 69 NE2 HIS 9 11.138 0.884 15.662 1.00 0.00 ATOM 70 O HIS 9 7.613 0.513 10.254 1.00 0.00 ATOM 71 C HIS 9 8.834 0.354 10.252 1.00 0.00 ATOM 72 N LEU 10 9.563 0.361 9.141 1.00 0.00 ATOM 73 CA LEU 10 8.958 0.559 7.830 1.00 0.00 ATOM 74 CB LEU 10 10.036 0.809 6.774 1.00 0.00 ATOM 75 CG LEU 10 9.545 1.021 5.340 1.00 0.00 ATOM 76 CD1 LEU 10 8.629 2.233 5.260 1.00 0.00 ATOM 77 CD2 LEU 10 10.720 1.182 4.389 1.00 0.00 ATOM 78 O LEU 10 6.968 -0.485 6.983 1.00 0.00 ATOM 79 C LEU 10 8.104 -0.640 7.433 1.00 0.00 ATOM 80 N LEU 11 8.658 -1.836 7.599 1.00 0.00 ATOM 81 CA LEU 11 7.948 -3.062 7.259 1.00 0.00 ATOM 82 CB LEU 11 8.818 -4.285 7.554 1.00 0.00 ATOM 83 CG LEU 11 8.182 -5.650 7.286 1.00 0.00 ATOM 84 CD1 LEU 11 7.821 -5.797 5.816 1.00 0.00 ATOM 85 CD2 LEU 11 9.113 -6.773 7.717 1.00 0.00 ATOM 86 O LEU 11 5.568 -3.358 7.424 1.00 0.00 ATOM 87 C LEU 11 6.629 -3.162 8.020 1.00 0.00 ATOM 88 N SER 12 6.703 -3.025 9.339 1.00 0.00 ATOM 89 CA SER 12 5.515 -3.099 10.183 1.00 0.00 ATOM 90 CB SER 12 5.907 -3.079 11.662 1.00 0.00 ATOM 91 OG SER 12 6.474 -1.831 12.022 1.00 0.00 ATOM 92 O SER 12 3.341 -2.090 10.019 1.00 0.00 ATOM 93 C SER 12 4.557 -1.952 9.876 1.00 0.00 ATOM 94 N GLU 13 5.112 -0.823 9.448 1.00 0.00 ATOM 95 CA GLU 13 4.307 0.346 9.116 1.00 0.00 ATOM 96 CB GLU 13 5.194 1.585 8.977 1.00 0.00 ATOM 97 CG GLU 13 5.802 2.063 10.285 1.00 0.00 ATOM 98 CD GLU 13 4.754 2.499 11.291 1.00 0.00 ATOM 99 OE1 GLU 13 3.891 3.324 10.927 1.00 0.00 ATOM 100 OE2 GLU 13 4.797 2.015 12.441 1.00 0.00 ATOM 101 O GLU 13 2.376 0.560 7.703 1.00 0.00 ATOM 102 C GLU 13 3.518 0.117 7.832 1.00 0.00 ATOM 103 N TYR 14 4.131 -0.583 6.882 1.00 0.00 ATOM 104 CA TYR 14 3.486 -0.871 5.606 1.00 0.00 ATOM 105 CB TYR 14 4.535 -1.111 4.519 1.00 0.00 ATOM 106 CG TYR 14 5.299 0.132 4.120 1.00 0.00 ATOM 107 CD1 TYR 14 6.651 0.067 3.812 1.00 0.00 ATOM 108 CD2 TYR 14 4.664 1.366 4.051 1.00 0.00 ATOM 109 CE1 TYR 14 7.358 1.198 3.446 1.00 0.00 ATOM 110 CE2 TYR 14 5.354 2.506 3.688 1.00 0.00 ATOM 111 CZ TYR 14 6.713 2.414 3.385 1.00 0.00 ATOM 112 OH TYR 14 7.413 3.540 3.020 1.00 0.00 ATOM 113 O TYR 14 1.439 -2.061 5.220 1.00 0.00 ATOM 114 C TYR 14 2.563 -2.079 5.719 1.00 0.00 ATOM 115 N GLN 15 3.046 -3.128 6.380 1.00 0.00 ATOM 116 CA GLN 15 2.263 -4.344 6.558 1.00 0.00 ATOM 117 CB GLN 15 3.061 -5.387 7.345 1.00 0.00 ATOM 118 CG GLN 15 4.231 -5.981 6.578 1.00 0.00 ATOM 119 CD GLN 15 5.065 -6.920 7.426 1.00 0.00 ATOM 120 OE1 GLN 15 5.149 -6.763 8.644 1.00 0.00 ATOM 121 NE2 GLN 15 5.687 -7.903 6.782 1.00 0.00 ATOM 122 O GLN 15 -0.084 -4.648 6.965 1.00 0.00 ATOM 123 C GLN 15 0.945 -4.045 7.266 1.00 0.00 ATOM 124 N GLN 16 0.987 -3.109 8.209 1.00 0.00 ATOM 125 CA GLN 16 -0.204 -2.730 8.962 1.00 0.00 ATOM 126 CB GLN 16 0.180 -1.911 10.196 1.00 0.00 ATOM 127 CG GLN 16 0.735 -0.532 9.878 1.00 0.00 ATOM 128 CD GLN 16 0.831 0.353 11.105 1.00 0.00 ATOM 129 OE1 GLN 16 0.098 1.334 11.233 1.00 0.00 ATOM 130 NE2 GLN 16 1.738 0.009 12.012 1.00 0.00 ATOM 131 O GLN 16 -2.388 -2.004 8.275 1.00 0.00 ATOM 132 C GLN 16 -1.172 -1.940 8.086 1.00 0.00 ATOM 133 N ILE 17 -0.626 -1.196 7.130 1.00 0.00 ATOM 134 CA ILE 17 -1.441 -0.396 6.226 1.00 0.00 ATOM 135 CB ILE 17 -0.571 0.497 5.321 1.00 0.00 ATOM 136 CG1 ILE 17 0.125 1.579 6.149 1.00 0.00 ATOM 137 CG2 ILE 17 -1.405 1.091 4.198 1.00 0.00 ATOM 138 CD1 ILE 17 1.220 2.308 5.405 1.00 0.00 ATOM 139 O ILE 17 -3.528 -0.997 5.199 1.00 0.00 ATOM 140 C ILE 17 -2.340 -1.278 5.368 1.00 0.00 ATOM 141 N LEU 18 -1.768 -2.351 4.829 1.00 0.00 ATOM 142 CA LEU 18 -2.518 -3.276 3.989 1.00 0.00 ATOM 143 CB LEU 18 -1.596 -4.367 3.439 1.00 0.00 ATOM 144 CG LEU 18 -0.559 -3.921 2.407 1.00 0.00 ATOM 145 CD1 LEU 18 0.400 -5.056 2.083 1.00 0.00 ATOM 146 CD2 LEU 18 -1.239 -3.428 1.139 1.00 0.00 ATOM 147 O LEU 18 -4.754 -4.121 4.211 1.00 0.00 ATOM 148 C LEU 18 -3.672 -3.906 4.758 1.00 0.00 ATOM 149 N THR 19 -3.437 -4.201 6.032 1.00 0.00 ATOM 150 CA THR 19 -4.458 -4.806 6.881 1.00 0.00 ATOM 151 CB THR 19 -3.867 -5.288 8.219 1.00 0.00 ATOM 152 CG2 THR 19 -4.954 -5.896 9.093 1.00 0.00 ATOM 153 OG1 THR 19 -2.866 -6.284 7.971 1.00 0.00 ATOM 154 O THR 19 -6.766 -4.189 7.102 1.00 0.00 ATOM 155 C THR 19 -5.593 -3.823 7.149 1.00 0.00 ATOM 156 N LEU 20 -5.235 -2.575 7.431 1.00 0.00 ATOM 157 CA LEU 20 -6.224 -1.540 7.706 1.00 0.00 ATOM 158 CB LEU 20 -5.536 -0.225 8.081 1.00 0.00 ATOM 159 CG LEU 20 -4.798 -0.206 9.421 1.00 0.00 ATOM 160 CD1 LEU 20 -4.025 1.093 9.590 1.00 0.00 ATOM 161 CD2 LEU 20 -5.771 -0.396 10.574 1.00 0.00 ATOM 162 O LEU 20 -8.329 -1.042 6.660 1.00 0.00 ATOM 163 C LEU 20 -7.141 -1.329 6.505 1.00 0.00 ATOM 164 N SER 21 -6.582 -1.476 5.307 1.00 0.00 ATOM 165 CA SER 21 -7.349 -1.304 4.081 1.00 0.00 ATOM 166 CB SER 21 -6.416 -1.239 2.871 1.00 0.00 ATOM 167 OG SER 21 -5.737 -2.469 2.684 1.00 0.00 ATOM 168 O SER 21 -9.490 -2.203 3.472 1.00 0.00 ATOM 169 C SER 21 -8.360 -2.432 3.902 1.00 0.00 ATOM 170 N GLU 22 -7.944 -3.650 4.234 1.00 0.00 ATOM 171 CA GLU 22 -8.813 -4.814 4.112 1.00 0.00 ATOM 172 CB GLU 22 -8.095 -6.073 4.604 1.00 0.00 ATOM 173 CG GLU 22 -6.958 -6.529 3.703 1.00 0.00 ATOM 174 CD GLU 22 -6.241 -7.750 4.243 1.00 0.00 ATOM 175 OE1 GLU 22 -6.351 -8.014 5.459 1.00 0.00 ATOM 176 OE2 GLU 22 -5.569 -8.443 3.452 1.00 0.00 ATOM 177 O GLU 22 -11.171 -5.076 4.478 1.00 0.00 ATOM 178 C GLU 22 -10.109 -4.610 4.891 1.00 0.00 ATOM 179 N GLN 23 -10.013 -3.912 6.019 1.00 0.00 ATOM 180 CA GLN 23 -11.178 -3.648 6.855 1.00 0.00 ATOM 181 CB GLN 23 -10.766 -2.909 8.129 1.00 0.00 ATOM 182 CG GLN 23 -9.973 -3.756 9.110 1.00 0.00 ATOM 183 CD GLN 23 -9.483 -2.961 10.305 1.00 0.00 ATOM 184 OE1 GLN 23 -9.246 -1.757 10.206 1.00 0.00 ATOM 185 NE2 GLN 23 -9.330 -3.633 11.440 1.00 0.00 ATOM 186 O GLN 23 -13.426 -3.077 6.225 1.00 0.00 ATOM 187 C GLN 23 -12.224 -2.841 6.091 1.00 0.00 ATOM 188 N MET 24 -11.759 -1.887 5.293 1.00 0.00 ATOM 189 CA MET 24 -12.654 -1.043 4.507 1.00 0.00 ATOM 190 CB MET 24 -11.899 0.165 3.949 1.00 0.00 ATOM 191 CG MET 24 -11.463 1.166 5.007 1.00 0.00 ATOM 192 SD MET 24 -10.482 2.516 4.323 1.00 0.00 ATOM 193 CE MET 24 -11.734 3.422 3.419 1.00 0.00 ATOM 194 O MET 24 -14.467 -1.650 3.054 1.00 0.00 ATOM 195 C MET 24 -13.292 -1.835 3.371 1.00 0.00 ATOM 196 N LEU 25 -12.509 -2.720 2.762 1.00 0.00 ATOM 197 CA LEU 25 -12.999 -3.543 1.661 1.00 0.00 ATOM 198 CB LEU 25 -11.833 -4.235 0.949 1.00 0.00 ATOM 199 CG LEU 25 -10.673 -3.335 0.517 1.00 0.00 ATOM 200 CD1 LEU 25 -9.690 -4.107 -0.350 1.00 0.00 ATOM 201 CD2 LEU 25 -11.189 -2.113 -0.225 1.00 0.00 ATOM 202 O LEU 25 -15.087 -4.726 1.599 1.00 0.00 ATOM 203 C LEU 25 -14.000 -4.579 2.159 1.00 0.00 ATOM 204 N VAL 26 -13.629 -5.294 3.217 1.00 0.00 ATOM 205 CA VAL 26 -14.495 -6.316 3.791 1.00 0.00 ATOM 206 CB VAL 26 -13.804 -7.053 4.954 1.00 0.00 ATOM 207 CG1 VAL 26 -14.792 -7.961 5.670 1.00 0.00 ATOM 208 CG2 VAL 26 -12.614 -7.851 4.445 1.00 0.00 ATOM 209 O VAL 26 -16.869 -6.321 4.149 1.00 0.00 ATOM 210 C VAL 26 -15.810 -5.706 4.269 1.00 0.00 ATOM 211 N LEU 27 -15.733 -4.497 4.813 1.00 0.00 ATOM 212 CA LEU 27 -16.916 -3.806 5.309 1.00 0.00 ATOM 213 CB LEU 27 -16.515 -2.569 6.114 1.00 0.00 ATOM 214 CG LEU 27 -16.302 -2.775 7.615 1.00 0.00 ATOM 215 CD1 LEU 27 -15.269 -3.862 7.867 1.00 0.00 ATOM 216 CD2 LEU 27 -15.877 -1.477 8.283 1.00 0.00 ATOM 217 O LEU 27 -19.055 -3.315 4.336 1.00 0.00 ATOM 218 C LEU 27 -17.840 -3.408 4.163 1.00 0.00 ATOM 219 N ALA 28 -17.256 -3.174 2.992 1.00 0.00 ATOM 220 CA ALA 28 -18.028 -2.788 1.817 1.00 0.00 ATOM 221 CB ALA 28 -17.107 -2.263 0.726 1.00 0.00 ATOM 222 O ALA 28 -20.046 -3.824 1.037 1.00 0.00 ATOM 223 C ALA 28 -18.851 -3.960 1.291 1.00 0.00 ATOM 224 N THR 29 -18.201 -5.108 1.131 1.00 0.00 ATOM 225 CA THR 29 -18.872 -6.302 0.634 1.00 0.00 ATOM 226 CB THR 29 -17.875 -7.449 0.386 1.00 0.00 ATOM 227 CG2 THR 29 -16.843 -7.042 -0.653 1.00 0.00 ATOM 228 OG1 THR 29 -17.194 -7.768 1.608 1.00 0.00 ATOM 229 O THR 29 -20.920 -7.411 1.215 1.00 0.00 ATOM 230 C THR 29 -19.948 -6.768 1.609 1.00 0.00 ATOM 231 N GLU 30 -19.767 -6.439 2.884 1.00 0.00 ATOM 232 CA GLU 30 -20.723 -6.824 3.916 1.00 0.00 ATOM 233 CB GLU 30 -19.994 -7.206 5.207 1.00 0.00 ATOM 234 CG GLU 30 -20.835 -8.019 6.178 1.00 0.00 ATOM 235 CD GLU 30 -20.071 -9.182 6.779 1.00 0.00 ATOM 236 OE1 GLU 30 -18.946 -8.960 7.274 1.00 0.00 ATOM 237 OE2 GLU 30 -20.596 -10.315 6.752 1.00 0.00 ATOM 238 O GLU 30 -22.514 -5.769 5.120 1.00 0.00 ATOM 239 C GLU 30 -21.717 -5.698 4.185 1.00 0.00 ATOM 240 N GLY 31 -21.662 -4.659 3.359 1.00 0.00 ATOM 241 CA GLY 31 -22.556 -3.516 3.507 1.00 0.00 ATOM 242 O GLY 31 -23.460 -3.169 5.706 1.00 0.00 ATOM 243 C GLY 31 -22.519 -2.980 4.935 1.00 0.00 ATOM 244 N ASN 32 -21.426 -2.310 5.281 1.00 0.00 ATOM 245 CA ASN 32 -21.265 -1.744 6.616 1.00 0.00 ATOM 246 CB ASN 32 -20.231 -2.541 7.414 1.00 0.00 ATOM 247 CG ASN 32 -20.644 -3.984 7.627 1.00 0.00 ATOM 248 ND2 ASN 32 -20.122 -4.877 6.794 1.00 0.00 ATOM 249 OD1 ASN 32 -21.425 -4.290 8.529 1.00 0.00 ATOM 250 O ASN 32 -19.766 0.106 6.932 1.00 0.00 ATOM 251 C ASN 32 -20.870 -0.273 6.539 1.00 0.00 ATOM 252 N TRP 33 -21.780 0.554 6.032 1.00 0.00 ATOM 253 CA TRP 33 -21.527 1.985 5.907 1.00 0.00 ATOM 254 CB TRP 33 -22.756 2.697 5.340 1.00 0.00 ATOM 255 CG TRP 33 -23.939 2.678 6.259 1.00 0.00 ATOM 256 CD1 TRP 33 -24.949 1.759 6.278 1.00 0.00 ATOM 257 CD2 TRP 33 -24.235 3.621 7.297 1.00 0.00 ATOM 258 CE2 TRP 33 -25.437 3.211 7.901 1.00 0.00 ATOM 259 CE3 TRP 33 -23.600 4.771 7.774 1.00 0.00 ATOM 260 NE1 TRP 33 -25.856 2.071 7.261 1.00 0.00 ATOM 261 CZ2 TRP 33 -26.019 3.910 8.957 1.00 0.00 ATOM 262 CZ3 TRP 33 -24.179 5.461 8.821 1.00 0.00 ATOM 263 CH2 TRP 33 -25.377 5.031 9.404 1.00 0.00 ATOM 264 O TRP 33 -20.346 3.523 7.321 1.00 0.00 ATOM 265 C TRP 33 -21.143 2.589 7.254 1.00 0.00 ATOM 266 N ASP 34 -21.715 2.049 8.324 1.00 0.00 ATOM 267 CA ASP 34 -21.432 2.535 9.670 1.00 0.00 ATOM 268 CB ASP 34 -22.458 1.990 10.665 1.00 0.00 ATOM 269 CG ASP 34 -22.683 2.921 11.841 1.00 0.00 ATOM 270 OD1 ASP 34 -21.895 2.857 12.806 1.00 0.00 ATOM 271 OD2 ASP 34 -23.647 3.713 11.794 1.00 0.00 ATOM 272 O ASP 34 -19.439 2.770 10.989 1.00 0.00 ATOM 273 C ASP 34 -20.022 2.146 10.103 1.00 0.00 ATOM 274 N ALA 35 -19.479 1.109 9.471 1.00 0.00 ATOM 275 CA ALA 35 -18.140 0.634 9.794 1.00 0.00 ATOM 276 CB ALA 35 -18.058 -0.876 9.629 1.00 0.00 ATOM 277 O ALA 35 -15.892 1.126 9.100 1.00 0.00 ATOM 278 C ALA 35 -17.093 1.318 8.917 1.00 0.00 ATOM 279 N LEU 36 -17.563 2.117 7.965 1.00 0.00 ATOM 280 CA LEU 36 -16.669 2.830 7.058 1.00 0.00 ATOM 281 CB LEU 36 -17.448 3.377 5.859 1.00 0.00 ATOM 282 CG LEU 36 -18.005 2.339 4.881 1.00 0.00 ATOM 283 CD1 LEU 36 -18.896 3.002 3.843 1.00 0.00 ATOM 284 CD2 LEU 36 -16.873 1.580 4.201 1.00 0.00 ATOM 285 O LEU 36 -14.782 4.246 7.514 1.00 0.00 ATOM 286 C LEU 36 -15.952 3.964 7.781 1.00 0.00 ATOM 287 N VAL 37 -16.659 4.615 8.699 1.00 0.00 ATOM 288 CA VAL 37 -16.092 5.719 9.463 1.00 0.00 ATOM 289 CB VAL 37 -17.100 6.277 10.484 1.00 0.00 ATOM 290 CG1 VAL 37 -16.374 6.871 11.681 1.00 0.00 ATOM 291 CG2 VAL 37 -17.998 7.317 9.833 1.00 0.00 ATOM 292 O VAL 37 -13.750 5.886 10.013 1.00 0.00 ATOM 293 C VAL 37 -14.816 5.292 10.180 1.00 0.00 ATOM 294 N ASP 38 -14.924 4.236 11.001 1.00 0.00 ATOM 295 CA ASP 38 -13.788 3.704 11.760 1.00 0.00 ATOM 296 CB ASP 38 -14.270 2.712 12.821 1.00 0.00 ATOM 297 CG ASP 38 -14.999 3.388 13.964 1.00 0.00 ATOM 298 OD1 ASP 38 -14.900 4.628 14.081 1.00 0.00 ATOM 299 OD2 ASP 38 -15.672 2.680 14.742 1.00 0.00 ATOM 300 O ASP 38 -11.553 3.208 11.041 1.00 0.00 ATOM 301 C ASP 38 -12.757 3.027 10.863 1.00 0.00 ATOM 302 N LEU 39 -13.238 2.248 9.902 1.00 0.00 ATOM 303 CA LEU 39 -12.357 1.542 8.977 1.00 0.00 ATOM 304 CB LEU 39 -13.176 0.707 7.990 1.00 0.00 ATOM 305 CG LEU 39 -13.905 -0.506 8.569 1.00 0.00 ATOM 306 CD1 LEU 39 -14.817 -1.134 7.526 1.00 0.00 ATOM 307 CD2 LEU 39 -12.911 -1.534 9.089 1.00 0.00 ATOM 308 O LEU 39 -10.286 2.248 7.987 1.00 0.00 ATOM 309 C LEU 39 -11.462 2.523 8.224 1.00 0.00 ATOM 310 N GLU 40 -12.029 3.665 7.851 1.00 0.00 ATOM 311 CA GLU 40 -11.284 4.683 7.119 1.00 0.00 ATOM 312 CB GLU 40 -12.243 5.669 6.449 1.00 0.00 ATOM 313 CG GLU 40 -13.003 6.556 7.422 1.00 0.00 ATOM 314 CD GLU 40 -13.998 7.465 6.728 1.00 0.00 ATOM 315 OE1 GLU 40 -14.111 7.383 5.486 1.00 0.00 ATOM 316 OE2 GLU 40 -14.664 8.258 7.425 1.00 0.00 ATOM 317 O GLU 40 -9.253 5.858 7.630 1.00 0.00 ATOM 318 C GLU 40 -10.327 5.426 8.047 1.00 0.00 ATOM 319 N MET 41 -10.726 5.571 9.307 1.00 0.00 ATOM 320 CA MET 41 -9.904 6.263 10.292 1.00 0.00 ATOM 321 CB MET 41 -10.710 6.540 11.563 1.00 0.00 ATOM 322 CG MET 41 -9.929 7.265 12.647 1.00 0.00 ATOM 323 SD MET 41 -10.899 7.533 14.143 1.00 0.00 ATOM 324 CE MET 41 -10.983 5.865 14.795 1.00 0.00 ATOM 325 O MET 41 -7.543 5.981 10.645 1.00 0.00 ATOM 326 C MET 41 -8.655 5.452 10.625 1.00 0.00 ATOM 327 N THR 42 -8.846 4.163 10.886 1.00 0.00 ATOM 328 CA THR 42 -7.737 3.276 11.217 1.00 0.00 ATOM 329 CB THR 42 -8.224 1.841 11.490 1.00 0.00 ATOM 330 CG2 THR 42 -9.191 1.820 12.664 1.00 0.00 ATOM 331 OG1 THR 42 -8.900 1.334 10.331 1.00 0.00 ATOM 332 O THR 42 -5.504 3.129 10.351 1.00 0.00 ATOM 333 C THR 42 -6.702 3.258 10.098 1.00 0.00 ATOM 334 N TYR 43 -7.171 3.392 8.862 1.00 0.00 ATOM 335 CA TYR 43 -6.285 3.394 7.704 1.00 0.00 ATOM 336 CB TYR 43 -7.092 3.281 6.410 1.00 0.00 ATOM 337 CG TYR 43 -6.243 3.233 5.160 1.00 0.00 ATOM 338 CD1 TYR 43 -5.216 2.306 5.033 1.00 0.00 ATOM 339 CD2 TYR 43 -6.470 4.114 4.111 1.00 0.00 ATOM 340 CE1 TYR 43 -4.434 2.254 3.894 1.00 0.00 ATOM 341 CE2 TYR 43 -5.698 4.079 2.965 1.00 0.00 ATOM 342 CZ TYR 43 -4.674 3.137 2.864 1.00 0.00 ATOM 343 OH TYR 43 -3.898 3.087 1.729 1.00 0.00 ATOM 344 O TYR 43 -4.247 4.602 7.307 1.00 0.00 ATOM 345 C TYR 43 -5.422 4.650 7.675 1.00 0.00 ATOM 346 N LEU 44 -6.011 5.775 8.068 1.00 0.00 ATOM 347 CA LEU 44 -5.295 7.047 8.089 1.00 0.00 ATOM 348 CB LEU 44 -6.253 8.197 8.405 1.00 0.00 ATOM 349 CG LEU 44 -5.641 9.598 8.444 1.00 0.00 ATOM 350 CD1 LEU 44 -5.033 9.956 7.097 1.00 0.00 ATOM 351 CD2 LEU 44 -6.684 10.629 8.846 1.00 0.00 ATOM 352 O LEU 44 -3.089 7.581 8.877 1.00 0.00 ATOM 353 C LEU 44 -4.157 7.012 9.106 1.00 0.00 ATOM 354 N LYS 45 -4.393 6.343 10.228 1.00 0.00 ATOM 355 CA LYS 45 -3.390 6.235 11.280 1.00 0.00 ATOM 356 CB LYS 45 -3.921 5.396 12.444 1.00 0.00 ATOM 357 CG LYS 45 -2.942 5.245 13.597 1.00 0.00 ATOM 358 CD LYS 45 -3.551 4.443 14.737 1.00 0.00 ATOM 359 CE LYS 45 -2.561 4.263 15.876 1.00 0.00 ATOM 360 NZ LYS 45 -3.145 3.480 17.000 1.00 0.00 ATOM 361 O LYS 45 -1.007 6.135 10.999 1.00 0.00 ATOM 362 C LYS 45 -2.098 5.629 10.741 1.00 0.00 ATOM 363 N ALA 46 -2.230 4.540 9.989 1.00 0.00 ATOM 364 CA ALA 46 -1.075 3.867 9.409 1.00 0.00 ATOM 365 CB ALA 46 -1.502 2.583 8.718 1.00 0.00 ATOM 366 O ALA 46 0.879 4.754 8.332 1.00 0.00 ATOM 367 C ALA 46 -0.349 4.775 8.423 1.00 0.00 ATOM 368 N VAL 47 -1.113 5.574 7.685 1.00 0.00 ATOM 369 CA VAL 47 -0.542 6.491 6.706 1.00 0.00 ATOM 370 CB VAL 47 -1.629 7.097 5.799 1.00 0.00 ATOM 371 CG1 VAL 47 -1.018 8.102 4.833 1.00 0.00 ATOM 372 CG2 VAL 47 -2.362 6.003 5.039 1.00 0.00 ATOM 373 O VAL 47 1.397 7.865 7.053 1.00 0.00 ATOM 374 C VAL 47 0.241 7.606 7.389 1.00 0.00 ATOM 375 N GLU 48 -0.397 8.266 8.352 1.00 0.00 ATOM 376 CA GLU 48 0.238 9.354 9.083 1.00 0.00 ATOM 377 CB GLU 48 -0.785 10.084 9.955 1.00 0.00 ATOM 378 CG GLU 48 -1.815 10.880 9.169 1.00 0.00 ATOM 379 CD GLU 48 -2.847 11.540 10.062 1.00 0.00 ATOM 380 OE1 GLU 48 -2.876 11.223 11.270 1.00 0.00 ATOM 381 OE2 GLU 48 -3.628 12.372 9.554 1.00 0.00 ATOM 382 O GLU 48 2.458 9.447 9.989 1.00 0.00 ATOM 383 C GLU 48 1.388 8.841 9.944 1.00 0.00 ATOM 384 N SER 49 1.158 7.723 10.624 1.00 0.00 ATOM 385 CA SER 49 2.176 7.130 11.484 1.00 0.00 ATOM 386 CB SER 49 1.625 5.889 12.188 1.00 0.00 ATOM 387 OG SER 49 1.328 4.863 11.258 1.00 0.00 ATOM 388 O SER 49 4.547 7.004 11.126 1.00 0.00 ATOM 389 C SER 49 3.423 6.771 10.682 1.00 0.00 ATOM 390 N THR 50 3.216 6.202 9.499 1.00 0.00 ATOM 391 CA THR 50 4.323 5.810 8.635 1.00 0.00 ATOM 392 CB THR 50 3.832 5.009 7.416 1.00 0.00 ATOM 393 CG2 THR 50 5.000 4.636 6.516 1.00 0.00 ATOM 394 OG1 THR 50 3.192 3.805 7.857 1.00 0.00 ATOM 395 O THR 50 6.327 7.079 8.262 1.00 0.00 ATOM 396 C THR 50 5.101 7.034 8.160 1.00 0.00 ATOM 397 N ALA 51 4.381 8.023 7.642 1.00 0.00 ATOM 398 CA ALA 51 5.004 9.247 7.154 1.00 0.00 ATOM 399 CB ALA 51 3.959 10.170 6.548 1.00 0.00 ATOM 400 O ALA 51 6.814 10.546 8.047 1.00 0.00 ATOM 401 C ALA 51 5.753 9.966 8.272 1.00 0.00 ATOM 402 N ASN 52 5.193 9.922 9.477 1.00 0.00 ATOM 403 CA ASN 52 5.806 10.572 10.628 1.00 0.00 ATOM 404 CB ASN 52 4.959 10.349 11.883 1.00 0.00 ATOM 405 CG ASN 52 3.683 11.168 11.878 1.00 0.00 ATOM 406 ND2 ASN 52 2.715 10.761 12.692 1.00 0.00 ATOM 407 OD1 ASN 52 3.570 12.154 11.149 1.00 0.00 ATOM 408 O ASN 52 8.118 10.831 11.229 1.00 0.00 ATOM 409 C ASN 52 7.230 10.071 10.842 1.00 0.00 ATOM 410 N ILE 53 7.442 8.784 10.587 1.00 0.00 ATOM 411 CA ILE 53 8.758 8.178 10.750 1.00 0.00 ATOM 412 CB ILE 53 8.711 6.655 10.531 1.00 0.00 ATOM 413 CG1 ILE 53 7.916 5.980 11.650 1.00 0.00 ATOM 414 CG2 ILE 53 10.116 6.089 10.413 1.00 0.00 ATOM 415 CD1 ILE 53 7.581 4.529 11.373 1.00 0.00 ATOM 416 O ILE 53 10.979 8.733 10.022 1.00 0.00 ATOM 417 C ILE 53 9.771 8.809 9.800 1.00 0.00 ATOM 418 N THR 54 9.269 9.435 8.741 1.00 0.00 ATOM 419 CA THR 54 10.130 10.082 7.756 1.00 0.00 ATOM 420 CB THR 54 9.498 10.057 6.351 1.00 0.00 ATOM 421 CG2 THR 54 10.402 10.756 5.348 1.00 0.00 ATOM 422 OG1 THR 54 9.312 8.700 5.932 1.00 0.00 ATOM 423 O THR 54 9.653 12.169 8.866 1.00 0.00 ATOM 424 C THR 54 10.424 11.524 8.156 1.00 0.00 ATOM 425 N ILE 55 11.569 12.045 7.688 1.00 0.00 ATOM 426 CA ILE 55 11.992 13.417 7.984 1.00 0.00 ATOM 427 CB ILE 55 13.464 13.650 7.594 1.00 0.00 ATOM 428 CG1 ILE 55 13.960 14.984 8.156 1.00 0.00 ATOM 429 CG2 ILE 55 13.635 13.573 6.084 1.00 0.00 ATOM 430 CD1 ILE 55 15.463 15.152 8.093 1.00 0.00 ATOM 431 O ILE 55 10.315 14.124 6.416 1.00 0.00 ATOM 432 C ILE 55 11.121 14.457 7.287 1.00 0.00 ATOM 433 N SER 56 11.285 15.715 7.675 1.00 0.00 ATOM 434 CA SER 56 10.515 16.806 7.087 1.00 0.00 ATOM 435 CB SER 56 10.601 18.056 7.965 1.00 0.00 ATOM 436 OG SER 56 11.917 18.582 7.977 1.00 0.00 ATOM 437 O SER 56 10.400 17.921 4.964 1.00 0.00 ATOM 438 C SER 56 11.004 17.118 5.676 1.00 0.00 ATOM 439 N SER 57 12.100 16.480 5.279 1.00 0.00 ATOM 440 CA SER 57 12.670 16.691 3.955 1.00 0.00 ATOM 441 CB SER 57 13.639 17.874 3.969 1.00 0.00 ATOM 442 OG SER 57 14.164 18.119 2.676 1.00 0.00 ATOM 443 O SER 57 14.560 15.212 3.730 1.00 0.00 ATOM 444 C SER 57 13.379 15.433 3.461 1.00 0.00 ATOM 445 N CYS 58 12.644 14.590 2.723 1.00 0.00 ATOM 446 CA CYS 58 13.183 13.340 2.176 1.00 0.00 ATOM 447 CB CYS 58 12.054 12.455 1.647 1.00 0.00 ATOM 448 SG CYS 58 11.260 13.075 0.145 1.00 0.00 ATOM 449 O CYS 58 14.171 14.620 0.403 1.00 0.00 ATOM 450 C CYS 58 14.199 13.583 1.066 1.00 0.00 ATOM 451 N SER 59 15.091 12.620 0.866 1.00 0.00 ATOM 452 CA SER 59 16.115 12.730 -0.166 1.00 0.00 ATOM 453 CB SER 59 17.507 12.529 0.435 1.00 0.00 ATOM 454 OG SER 59 17.802 13.536 1.385 1.00 0.00 ATOM 455 O SER 59 16.767 11.446 -2.089 1.00 0.00 ATOM 456 C SER 59 15.875 11.720 -1.285 1.00 0.00 ATOM 457 N SER 60 14.668 11.167 -1.329 1.00 0.00 ATOM 458 CA SER 60 14.312 10.187 -2.348 1.00 0.00 ATOM 459 CB SER 60 13.762 8.915 -1.699 1.00 0.00 ATOM 460 OG SER 60 14.756 8.269 -0.923 1.00 0.00 ATOM 461 O SER 60 12.339 11.428 -2.920 1.00 0.00 ATOM 462 C SER 60 13.291 10.762 -3.324 1.00 0.00 ATOM 463 N LEU 61 13.497 10.498 -4.611 1.00 0.00 ATOM 464 CA LEU 61 12.593 10.989 -5.644 1.00 0.00 ATOM 465 CB LEU 61 13.124 10.634 -7.035 1.00 0.00 ATOM 466 CG LEU 61 14.455 11.275 -7.433 1.00 0.00 ATOM 467 CD1 LEU 61 14.927 10.742 -8.778 1.00 0.00 ATOM 468 CD2 LEU 61 14.329 12.792 -7.482 1.00 0.00 ATOM 469 O LEU 61 10.196 11.145 -5.423 1.00 0.00 ATOM 470 C LEU 61 11.189 10.419 -5.457 1.00 0.00 ATOM 471 N MET 62 7.126 11.981 -3.865 1.00 0.00 ATOM 472 CA MET 62 5.839 11.811 -4.527 1.00 0.00 ATOM 473 CB MET 62 6.035 11.343 -5.970 1.00 0.00 ATOM 474 CG MET 62 6.642 12.394 -6.886 1.00 0.00 ATOM 475 SD MET 62 7.006 11.754 -8.532 1.00 0.00 ATOM 476 CE MET 62 5.351 11.512 -9.174 1.00 0.00 ATOM 477 O MET 62 3.746 10.987 -3.682 1.00 0.00 ATOM 478 C MET 62 4.964 10.821 -3.765 1.00 0.00 ATOM 479 N LEU 63 5.592 9.791 -3.210 1.00 0.00 ATOM 480 CA LEU 63 4.871 8.770 -2.457 1.00 0.00 ATOM 481 CB LEU 63 5.833 7.688 -1.965 1.00 0.00 ATOM 482 CG LEU 63 6.453 6.792 -3.038 1.00 0.00 ATOM 483 CD1 LEU 63 7.508 5.877 -2.433 1.00 0.00 ATOM 484 CD2 LEU 63 5.380 5.969 -3.737 1.00 0.00 ATOM 485 O LEU 63 3.036 8.943 -0.915 1.00 0.00 ATOM 486 C LEU 63 4.126 9.389 -1.278 1.00 0.00 ATOM 487 N GLN 64 4.718 10.420 -0.688 1.00 0.00 ATOM 488 CA GLN 64 4.113 11.102 0.451 1.00 0.00 ATOM 489 CB GLN 64 5.121 12.048 1.107 1.00 0.00 ATOM 490 CG GLN 64 6.266 11.342 1.813 1.00 0.00 ATOM 491 CD GLN 64 7.267 12.311 2.413 1.00 0.00 ATOM 492 OE1 GLN 64 6.901 13.398 2.862 1.00 0.00 ATOM 493 NE2 GLN 64 8.535 11.919 2.422 1.00 0.00 ATOM 494 O GLN 64 1.934 12.049 0.807 1.00 0.00 ATOM 495 C GLN 64 2.868 11.872 0.024 1.00 0.00 ATOM 496 N ASP 65 2.860 12.328 -1.226 1.00 0.00 ATOM 497 CA ASP 65 1.729 13.078 -1.758 1.00 0.00 ATOM 498 CB ASP 65 2.121 13.790 -3.054 1.00 0.00 ATOM 499 CG ASP 65 3.063 14.954 -2.815 1.00 0.00 ATOM 500 OD1 ASP 65 3.199 15.382 -1.651 1.00 0.00 ATOM 501 OD2 ASP 65 3.667 15.439 -3.796 1.00 0.00 ATOM 502 O ASP 65 -0.591 12.468 -1.599 1.00 0.00 ATOM 503 C ASP 65 0.534 12.162 -2.001 1.00 0.00 ATOM 504 N LEU 66 0.783 11.036 -2.661 1.00 0.00 ATOM 505 CA LEU 66 -0.273 10.074 -2.958 1.00 0.00 ATOM 506 CB LEU 66 0.201 9.068 -4.009 1.00 0.00 ATOM 507 CG LEU 66 1.505 8.329 -3.701 1.00 0.00 ATOM 508 CD1 LEU 66 1.224 7.015 -2.991 1.00 0.00 ATOM 509 CD2 LEU 66 2.296 8.082 -4.978 1.00 0.00 ATOM 510 O LEU 66 -1.908 9.106 -1.489 1.00 0.00 ATOM 511 C LEU 66 -0.718 9.344 -1.695 1.00 0.00 ATOM 512 N LEU 67 0.246 8.996 -0.849 1.00 0.00 ATOM 513 CA LEU 67 -0.046 8.297 0.398 1.00 0.00 ATOM 514 CB LEU 67 1.250 7.934 1.124 1.00 0.00 ATOM 515 CG LEU 67 1.111 7.015 2.340 1.00 0.00 ATOM 516 CD1 LEU 67 1.311 5.561 1.939 1.00 0.00 ATOM 517 CD2 LEU 67 2.102 7.404 3.426 1.00 0.00 ATOM 518 O LEU 67 -1.969 8.677 1.783 1.00 0.00 ATOM 519 C LEU 67 -0.937 9.143 1.301 1.00 0.00 ATOM 520 N ARG 68 -0.532 10.388 1.523 1.00 0.00 ATOM 521 CA ARG 68 -1.295 11.301 2.367 1.00 0.00 ATOM 522 CB ARG 68 -0.515 12.597 2.597 1.00 0.00 ATOM 523 CG ARG 68 0.692 12.440 3.508 1.00 0.00 ATOM 524 CD ARG 68 1.238 13.793 3.938 1.00 0.00 ATOM 525 NE ARG 68 1.728 14.572 2.802 1.00 0.00 ATOM 526 CZ ARG 68 2.964 14.496 2.323 1.00 0.00 ATOM 527 NH1 ARG 68 3.320 15.242 1.286 1.00 0.00 ATOM 528 NH2 ARG 68 3.843 13.675 2.882 1.00 0.00 ATOM 529 O ARG 68 -3.665 11.680 2.445 1.00 0.00 ATOM 530 C ARG 68 -2.655 11.609 1.747 1.00 0.00 ATOM 531 N GLU 69 -2.671 11.789 0.430 1.00 0.00 ATOM 532 CA GLU 69 -3.905 12.086 -0.286 1.00 0.00 ATOM 533 CB GLU 69 -3.605 12.474 -1.735 1.00 0.00 ATOM 534 CG GLU 69 -4.833 12.869 -2.539 1.00 0.00 ATOM 535 CD GLU 69 -5.496 14.125 -2.010 1.00 0.00 ATOM 536 OE1 GLU 69 -4.818 14.905 -1.309 1.00 0.00 ATOM 537 OE2 GLU 69 -6.695 14.328 -2.297 1.00 0.00 ATOM 538 O GLU 69 -6.079 11.068 -0.209 1.00 0.00 ATOM 539 C GLU 69 -4.861 10.896 -0.250 1.00 0.00 ATOM 540 N LYS 70 -4.299 9.692 -0.266 1.00 0.00 ATOM 541 CA LYS 70 -5.101 8.475 -0.239 1.00 0.00 ATOM 542 CB LYS 70 -4.206 7.241 -0.373 1.00 0.00 ATOM 543 CG LYS 70 -3.567 7.084 -1.743 1.00 0.00 ATOM 544 CD LYS 70 -4.606 6.774 -2.806 1.00 0.00 ATOM 545 CE LYS 70 -3.956 6.499 -4.153 1.00 0.00 ATOM 546 NZ LYS 70 -4.967 6.255 -5.219 1.00 0.00 ATOM 547 O LYS 70 -7.124 8.125 1.009 1.00 0.00 ATOM 548 C LYS 70 -5.922 8.394 1.044 1.00 0.00 ATOM 549 N LEU 71 -5.265 8.626 2.175 1.00 0.00 ATOM 550 CA LEU 71 -5.934 8.581 3.470 1.00 0.00 ATOM 551 CB LEU 71 -4.908 8.609 4.604 1.00 0.00 ATOM 552 CG LEU 71 -4.015 7.374 4.742 1.00 0.00 ATOM 553 CD1 LEU 71 -2.948 7.598 5.803 1.00 0.00 ATOM 554 CD2 LEU 71 -4.847 6.146 5.078 1.00 0.00 ATOM 555 O LEU 71 -7.927 9.620 4.313 1.00 0.00 ATOM 556 C LEU 71 -6.915 9.739 3.621 1.00 0.00 ATOM 557 N ARG 72 -6.610 10.856 2.971 1.00 0.00 ATOM 558 CA ARG 72 -7.464 12.036 3.036 1.00 0.00 ATOM 559 CB ARG 72 -6.720 13.267 2.514 1.00 0.00 ATOM 560 CG ARG 72 -7.528 14.553 2.572 1.00 0.00 ATOM 561 CD ARG 72 -6.743 15.724 2.005 1.00 0.00 ATOM 562 NE ARG 72 -6.443 15.547 0.586 1.00 0.00 ATOM 563 CZ ARG 72 -7.316 15.762 -0.394 1.00 0.00 ATOM 564 NH1 ARG 72 -6.954 15.575 -1.656 1.00 0.00 ATOM 565 NH2 ARG 72 -8.547 16.163 -0.109 1.00 0.00 ATOM 566 O ARG 72 -9.843 12.132 2.715 1.00 0.00 ATOM 567 C ARG 72 -8.750 11.823 2.243 1.00 0.00 ATOM 568 N ALA 73 -8.607 11.292 1.032 1.00 0.00 ATOM 569 CA ALA 73 -9.756 11.037 0.170 1.00 0.00 ATOM 570 CB ALA 73 -9.295 10.554 -1.197 1.00 0.00 ATOM 571 O ALA 73 -11.913 10.197 0.816 1.00 0.00 ATOM 572 C ALA 73 -10.696 10.014 0.803 1.00 0.00 ATOM 573 N ILE 74 -10.120 8.937 1.330 1.00 0.00 ATOM 574 CA ILE 74 -10.906 7.885 1.965 1.00 0.00 ATOM 575 CB ILE 74 -10.015 6.718 2.429 1.00 0.00 ATOM 576 CG1 ILE 74 -9.436 5.976 1.224 1.00 0.00 ATOM 577 CG2 ILE 74 -10.792 5.788 3.349 1.00 0.00 ATOM 578 CD1 ILE 74 -8.335 5.001 1.577 1.00 0.00 ATOM 579 O ILE 74 -12.858 8.073 3.350 1.00 0.00 ATOM 580 C ILE 74 -11.699 8.436 3.146 1.00 0.00 ATOM 581 N LEU 75 -11.067 9.314 3.919 1.00 0.00 ATOM 582 CA LEU 75 -11.717 9.915 5.078 1.00 0.00 ATOM 583 CB LEU 75 -10.712 10.733 5.891 1.00 0.00 ATOM 584 CG LEU 75 -11.257 11.436 7.135 1.00 0.00 ATOM 585 CD1 LEU 75 -11.825 10.424 8.118 1.00 0.00 ATOM 586 CD2 LEU 75 -10.175 12.272 7.799 1.00 0.00 ATOM 587 O LEU 75 -13.980 10.703 5.217 1.00 0.00 ATOM 588 C LEU 75 -12.889 10.792 4.653 1.00 0.00 ATOM 589 N ASP 76 -12.656 11.638 3.655 1.00 0.00 ATOM 590 CA ASP 76 -13.692 12.536 3.157 1.00 0.00 ATOM 591 CB ASP 76 -13.100 13.540 2.166 1.00 0.00 ATOM 592 CG ASP 76 -12.221 14.574 2.841 1.00 0.00 ATOM 593 OD1 ASP 76 -12.284 14.687 4.083 1.00 0.00 ATOM 594 OD2 ASP 76 -11.471 15.273 2.129 1.00 0.00 ATOM 595 O ASP 76 -15.993 12.093 2.635 1.00 0.00 ATOM 596 C ASP 76 -14.821 11.748 2.498 1.00 0.00 ATOM 597 N ASN 77 -14.456 10.690 1.779 1.00 0.00 ATOM 598 CA ASN 77 -15.438 9.855 1.098 1.00 0.00 ATOM 599 CB ASN 77 -14.746 8.910 0.113 1.00 0.00 ATOM 600 CG ASN 77 -14.121 9.644 -1.057 1.00 0.00 ATOM 601 ND2 ASN 77 -12.944 9.192 -1.476 1.00 0.00 ATOM 602 OD1 ASN 77 -14.689 10.606 -1.574 1.00 0.00 ATOM 603 O ASN 77 -17.504 9.061 2.030 1.00 0.00 ATOM 604 C ASN 77 -16.275 9.068 2.103 1.00 0.00 ATOM 605 N GLU 78 -25.467 5.073 -2.036 1.00 0.00 ATOM 606 CA GLU 78 -24.783 3.962 -1.382 1.00 0.00 ATOM 607 CB GLU 78 -25.787 3.082 -0.635 1.00 0.00 ATOM 608 CG GLU 78 -26.386 3.733 0.601 1.00 0.00 ATOM 609 CD GLU 78 -27.431 2.862 1.270 1.00 0.00 ATOM 610 OE1 GLU 78 -27.825 1.839 0.672 1.00 0.00 ATOM 611 OE2 GLU 78 -27.855 3.204 2.394 1.00 0.00 ATOM 612 O GLU 78 -22.888 2.687 -2.125 1.00 0.00 ATOM 613 C GLU 78 -24.004 3.129 -2.396 1.00 0.00 ATOM 614 N ILE 79 -24.602 2.919 -3.565 1.00 0.00 ATOM 615 CA ILE 79 -23.965 2.138 -4.619 1.00 0.00 ATOM 616 CB ILE 79 -24.889 1.980 -5.841 1.00 0.00 ATOM 617 CG1 ILE 79 -26.089 1.097 -5.492 1.00 0.00 ATOM 618 CG2 ILE 79 -24.111 1.437 -7.029 1.00 0.00 ATOM 619 CD1 ILE 79 -27.185 1.115 -6.535 1.00 0.00 ATOM 620 O ILE 79 -21.650 2.077 -5.255 1.00 0.00 ATOM 621 C ILE 79 -22.644 2.773 -5.043 1.00 0.00 ATOM 622 N GLU 80 -22.642 4.095 -5.165 1.00 0.00 ATOM 623 CA GLU 80 -21.441 4.823 -5.565 1.00 0.00 ATOM 624 CB GLU 80 -21.800 6.244 -6.006 1.00 0.00 ATOM 625 CG GLU 80 -22.588 6.312 -7.303 1.00 0.00 ATOM 626 CD GLU 80 -22.942 7.732 -7.696 1.00 0.00 ATOM 627 OE1 GLU 80 -22.722 8.648 -6.875 1.00 0.00 ATOM 628 OE2 GLU 80 -23.440 7.930 -8.824 1.00 0.00 ATOM 629 O GLU 80 -19.219 4.948 -4.662 1.00 0.00 ATOM 630 C GLU 80 -20.425 4.864 -4.429 1.00 0.00 ATOM 631 N ILE 81 -20.920 4.801 -3.198 1.00 0.00 ATOM 632 CA ILE 81 -20.056 4.829 -2.023 1.00 0.00 ATOM 633 CB ILE 81 -20.873 4.789 -0.719 1.00 0.00 ATOM 634 CG1 ILE 81 -21.668 6.085 -0.546 1.00 0.00 ATOM 635 CG2 ILE 81 -19.965 4.520 0.471 1.00 0.00 ATOM 636 CD1 ILE 81 -22.719 6.017 0.539 1.00 0.00 ATOM 637 O ILE 81 -17.859 3.866 -1.868 1.00 0.00 ATOM 638 C ILE 81 -19.062 3.672 -2.050 1.00 0.00 ATOM 639 N LYS 82 -19.571 2.466 -2.282 1.00 0.00 ATOM 640 CA LYS 82 -18.730 1.277 -2.335 1.00 0.00 ATOM 641 CB LYS 82 -19.576 0.032 -2.605 1.00 0.00 ATOM 642 CG LYS 82 -20.458 -0.382 -1.438 1.00 0.00 ATOM 643 CD LYS 82 -21.284 -1.611 -1.780 1.00 0.00 ATOM 644 CE LYS 82 -22.177 -2.017 -0.619 1.00 0.00 ATOM 645 NZ LYS 82 -23.025 -3.195 -0.954 1.00 0.00 ATOM 646 O LYS 82 -16.518 0.972 -3.213 1.00 0.00 ATOM 647 C LYS 82 -17.650 1.416 -3.402 1.00 0.00 ATOM 648 N ARG 83 -18.007 2.035 -4.523 1.00 0.00 ATOM 649 CA ARG 83 -17.066 2.231 -5.620 1.00 0.00 ATOM 650 CB ARG 83 -17.802 2.692 -6.880 1.00 0.00 ATOM 651 CG ARG 83 -18.675 1.621 -7.515 1.00 0.00 ATOM 652 CD ARG 83 -19.417 2.161 -8.726 1.00 0.00 ATOM 653 NE ARG 83 -20.245 1.139 -9.361 1.00 0.00 ATOM 654 CZ ARG 83 -21.092 1.376 -10.358 1.00 0.00 ATOM 655 NH1 ARG 83 -21.804 0.382 -10.873 1.00 0.00 ATOM 656 NH2 ARG 83 -21.225 2.604 -10.836 1.00 0.00 ATOM 657 O ARG 83 -14.836 3.117 -5.647 1.00 0.00 ATOM 658 C ARG 83 -15.990 3.243 -5.239 1.00 0.00 ATOM 659 N LEU 84 -16.376 4.245 -4.457 1.00 0.00 ATOM 660 CA LEU 84 -15.444 5.279 -4.024 1.00 0.00 ATOM 661 CB LEU 84 -16.199 6.459 -3.410 1.00 0.00 ATOM 662 CG LEU 84 -17.042 7.300 -4.371 1.00 0.00 ATOM 663 CD1 LEU 84 -17.880 8.314 -3.607 1.00 0.00 ATOM 664 CD2 LEU 84 -16.156 8.002 -5.388 1.00 0.00 ATOM 665 O LEU 84 -13.239 4.980 -3.121 1.00 0.00 ATOM 666 C LEU 84 -14.438 4.719 -3.024 1.00 0.00 ATOM 667 N LEU 85 -14.935 3.948 -2.061 1.00 0.00 ATOM 668 CA LEU 85 -14.079 3.351 -1.043 1.00 0.00 ATOM 669 CB LEU 85 -14.926 2.716 0.062 1.00 0.00 ATOM 670 CG LEU 85 -15.718 3.679 0.948 1.00 0.00 ATOM 671 CD1 LEU 85 -16.643 2.914 1.882 1.00 0.00 ATOM 672 CD2 LEU 85 -14.779 4.571 1.747 1.00 0.00 ATOM 673 O LEU 85 -11.980 2.206 -1.265 1.00 0.00 ATOM 674 C LEU 85 -13.145 2.310 -1.651 1.00 0.00 ATOM 675 N GLN 86 -13.664 1.543 -2.603 1.00 0.00 ATOM 676 CA GLN 86 -12.876 0.511 -3.266 1.00 0.00 ATOM 677 CB GLN 86 -13.762 -0.331 -4.185 1.00 0.00 ATOM 678 CG GLN 86 -13.038 -1.492 -4.851 1.00 0.00 ATOM 679 CD GLN 86 -12.585 -2.543 -3.858 1.00 0.00 ATOM 680 OE1 GLN 86 -13.388 -3.067 -3.084 1.00 0.00 ATOM 681 NE2 GLN 86 -11.295 -2.855 -3.877 1.00 0.00 ATOM 682 O GLN 86 -10.589 0.667 -3.975 1.00 0.00 ATOM 683 C GLN 86 -11.728 1.123 -4.062 1.00 0.00 ATOM 684 N LEU 87 -12.036 2.159 -4.833 1.00 0.00 ATOM 685 CA LEU 87 -11.029 2.836 -5.644 1.00 0.00 ATOM 686 CB LEU 87 -11.676 3.917 -6.510 1.00 0.00 ATOM 687 CG LEU 87 -10.729 4.744 -7.384 1.00 0.00 ATOM 688 CD1 LEU 87 -10.006 3.854 -8.382 1.00 0.00 ATOM 689 CD2 LEU 87 -11.489 5.843 -8.108 1.00 0.00 ATOM 690 O LEU 87 -8.752 3.300 -5.043 1.00 0.00 ATOM 691 C LEU 87 -9.943 3.444 -4.764 1.00 0.00 ATOM 692 N ARG 88 -10.360 4.124 -3.702 1.00 0.00 ATOM 693 CA ARG 88 -9.422 4.757 -2.783 1.00 0.00 ATOM 694 CB ARG 88 -10.166 5.655 -1.792 1.00 0.00 ATOM 695 CG ARG 88 -10.831 6.865 -2.428 1.00 0.00 ATOM 696 CD ARG 88 -9.801 7.834 -2.984 1.00 0.00 ATOM 697 NE ARG 88 -10.417 9.056 -3.490 1.00 0.00 ATOM 698 CZ ARG 88 -10.808 9.231 -4.747 1.00 0.00 ATOM 699 NH1 ARG 88 -11.360 10.379 -5.118 1.00 0.00 ATOM 700 NH2 ARG 88 -10.649 8.257 -5.633 1.00 0.00 ATOM 701 O ARG 88 -7.381 3.812 -1.942 1.00 0.00 ATOM 702 C ARG 88 -8.604 3.710 -2.033 1.00 0.00 ATOM 703 N LEU 89 -9.289 2.704 -1.498 1.00 0.00 ATOM 704 CA LEU 89 -8.627 1.639 -0.758 1.00 0.00 ATOM 705 CB LEU 89 -9.659 0.675 -0.167 1.00 0.00 ATOM 706 CG LEU 89 -10.528 1.224 0.966 1.00 0.00 ATOM 707 CD1 LEU 89 -11.623 0.234 1.332 1.00 0.00 ATOM 708 CD2 LEU 89 -9.680 1.549 2.185 1.00 0.00 ATOM 709 O LEU 89 -6.539 0.549 -1.227 1.00 0.00 ATOM 710 C LEU 89 -7.649 0.877 -1.647 1.00 0.00 ATOM 711 N ASP 90 -8.067 0.600 -2.877 1.00 0.00 ATOM 712 CA ASP 90 -7.229 -0.125 -3.824 1.00 0.00 ATOM 713 CB ASP 90 -8.038 -0.519 -5.062 1.00 0.00 ATOM 714 CG ASP 90 -9.043 -1.617 -4.778 1.00 0.00 ATOM 715 OD1 ASP 90 -8.937 -2.258 -3.712 1.00 0.00 ATOM 716 OD2 ASP 90 -9.941 -1.833 -5.620 1.00 0.00 ATOM 717 O ASP 90 -4.927 0.178 -4.436 1.00 0.00 ATOM 718 C ASP 90 -6.018 0.708 -4.229 1.00 0.00 ATOM 719 N ARG 91 -6.219 2.017 -4.340 1.00 0.00 ATOM 720 CA ARG 91 -5.144 2.926 -4.718 1.00 0.00 ATOM 721 CB ARG 91 -5.704 4.311 -5.047 1.00 0.00 ATOM 722 CG ARG 91 -6.507 4.367 -6.337 1.00 0.00 ATOM 723 CD ARG 91 -7.091 5.750 -6.564 1.00 0.00 ATOM 724 NE ARG 91 -7.856 5.824 -7.807 1.00 0.00 ATOM 725 CZ ARG 91 -8.593 6.868 -8.170 1.00 0.00 ATOM 726 NH1 ARG 91 -9.255 6.847 -9.318 1.00 0.00 ATOM 727 NH2 ARG 91 -8.667 7.934 -7.383 1.00 0.00 ATOM 728 O ARG 91 -2.902 2.920 -3.858 1.00 0.00 ATOM 729 C ARG 91 -4.102 3.030 -3.608 1.00 0.00 ATOM 730 N LEU 92 -4.572 3.239 -2.383 1.00 0.00 ATOM 731 CA LEU 92 -3.680 3.357 -1.235 1.00 0.00 ATOM 732 CB LEU 92 -4.458 3.803 0.005 1.00 0.00 ATOM 733 CG LEU 92 -3.638 4.025 1.277 1.00 0.00 ATOM 734 CD1 LEU 92 -2.582 5.096 1.056 1.00 0.00 ATOM 735 CD2 LEU 92 -4.542 4.404 2.440 1.00 0.00 ATOM 736 O LEU 92 -1.808 2.024 -0.538 1.00 0.00 ATOM 737 C LEU 92 -2.965 2.038 -0.957 1.00 0.00 ATOM 738 N SER 93 -3.661 0.932 -1.196 1.00 0.00 ATOM 739 CA SER 93 -3.093 -0.392 -0.976 1.00 0.00 ATOM 740 CB SER 93 -4.176 -1.467 -1.087 1.00 0.00 ATOM 741 OG SER 93 -5.126 -1.343 -0.042 1.00 0.00 ATOM 742 O SER 93 -0.914 -1.191 -1.592 1.00 0.00 ATOM 743 C SER 93 -1.968 -0.677 -1.967 1.00 0.00 ATOM 744 N ASP 94 -2.200 -0.341 -3.230 1.00 0.00 ATOM 745 CA ASP 94 -1.207 -0.562 -4.275 1.00 0.00 ATOM 746 CB ASP 94 -1.846 -0.425 -5.658 1.00 0.00 ATOM 747 CG ASP 94 -2.772 -1.579 -5.990 1.00 0.00 ATOM 748 OD1 ASP 94 -2.713 -2.607 -5.284 1.00 0.00 ATOM 749 OD2 ASP 94 -3.554 -1.454 -6.954 1.00 0.00 ATOM 750 O ASP 94 1.105 0.069 -4.407 1.00 0.00 ATOM 751 C ASP 94 -0.044 0.415 -4.133 1.00 0.00 ATOM 752 N LEU 95 -0.349 1.634 -3.703 1.00 0.00 ATOM 753 CA LEU 95 0.672 2.658 -3.521 1.00 0.00 ATOM 754 CB LEU 95 0.034 3.983 -3.098 1.00 0.00 ATOM 755 CG LEU 95 -0.820 4.690 -4.152 1.00 0.00 ATOM 756 CD1 LEU 95 -1.524 5.897 -3.552 1.00 0.00 ATOM 757 CD2 LEU 95 0.031 5.111 -5.341 1.00 0.00 ATOM 758 O LEU 95 2.858 2.659 -2.529 1.00 0.00 ATOM 759 C LEU 95 1.708 2.224 -2.489 1.00 0.00 ATOM 760 N VAL 96 1.291 1.365 -1.565 1.00 0.00 ATOM 761 CA VAL 96 2.183 0.870 -0.523 1.00 0.00 ATOM 762 CB VAL 96 1.398 0.209 0.624 1.00 0.00 ATOM 763 CG1 VAL 96 2.349 -0.458 1.607 1.00 0.00 ATOM 764 CG2 VAL 96 0.526 1.234 1.334 1.00 0.00 ATOM 765 O VAL 96 4.330 -0.201 -0.618 1.00 0.00 ATOM 766 C VAL 96 3.197 -0.117 -1.091 1.00 0.00 ATOM 767 N GLY 97 2.782 -0.864 -2.109 1.00 0.00 ATOM 768 CA GLY 97 3.654 -1.846 -2.743 1.00 0.00 ATOM 769 O GLY 97 6.002 -1.743 -3.221 1.00 0.00 ATOM 770 C GLY 97 4.911 -1.182 -3.295 1.00 0.00 ATOM 771 N GLN 98 4.748 0.017 -3.847 1.00 0.00 ATOM 772 CA GLN 98 5.871 0.757 -4.410 1.00 0.00 ATOM 773 CB GLN 98 5.370 1.894 -5.303 1.00 0.00 ATOM 774 CG GLN 98 5.504 1.621 -6.792 1.00 0.00 ATOM 775 CD GLN 98 5.265 2.856 -7.636 1.00 0.00 ATOM 776 OE1 GLN 98 5.198 3.970 -7.116 1.00 0.00 ATOM 777 NE2 GLN 98 5.137 2.664 -8.943 1.00 0.00 ATOM 778 O GLN 98 7.969 1.490 -3.503 1.00 0.00 ATOM 779 C GLN 98 6.768 1.309 -3.307 1.00 0.00 TER END