PFRMAT TS TARGET T0459 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 T0459 model 5 Tue Jun 17 13:41:26 2008 MODEL 5 PARENT N/A ATOM 2 N THR 29 -0.064 5.067 -3.218 1.00 0.00 ATOM 3 CA THR 29 0.919 3.990 -3.104 1.00 0.00 ATOM 4 CB THR 29 1.648 4.033 -1.749 1.00 0.00 ATOM 5 CG2 THR 29 2.395 5.347 -1.586 1.00 0.00 ATOM 6 OG1 THR 29 0.696 3.905 -0.687 1.00 0.00 ATOM 7 O THR 29 0.802 1.724 -3.863 1.00 0.00 ATOM 8 C THR 29 0.256 2.624 -3.227 1.00 0.00 ATOM 9 N MET 30 -0.907 2.459 -2.612 1.00 0.00 ATOM 10 CA MET 30 -1.610 1.189 -2.696 1.00 0.00 ATOM 11 CB MET 30 -2.905 1.238 -1.885 1.00 0.00 ATOM 12 CG MET 30 -2.693 1.274 -0.380 1.00 0.00 ATOM 13 SD MET 30 -4.240 1.390 0.539 1.00 0.00 ATOM 14 CE MET 30 -3.631 1.471 2.221 1.00 0.00 ATOM 15 O MET 30 -1.798 -0.254 -4.602 1.00 0.00 ATOM 16 C MET 30 -1.957 0.879 -4.151 1.00 0.00 ATOM 17 N LEU 31 -2.425 1.876 -4.888 1.00 0.00 ATOM 18 CA LEU 31 -2.787 1.662 -6.284 1.00 0.00 ATOM 19 CB LEU 31 -3.285 2.965 -6.915 1.00 0.00 ATOM 20 CG LEU 31 -3.686 2.895 -8.389 1.00 0.00 ATOM 21 CD1 LEU 31 -4.842 1.927 -8.585 1.00 0.00 ATOM 22 CD2 LEU 31 -4.119 4.264 -8.894 1.00 0.00 ATOM 23 O LEU 31 -1.689 0.219 -7.842 1.00 0.00 ATOM 24 C LEU 31 -1.581 1.175 -7.071 1.00 0.00 ATOM 25 N ILE 32 -0.435 1.825 -6.881 1.00 0.00 ATOM 26 CA ILE 32 0.781 1.422 -7.581 1.00 0.00 ATOM 27 CB ILE 32 1.951 2.375 -7.275 1.00 0.00 ATOM 28 CG1 ILE 32 1.686 3.757 -7.878 1.00 0.00 ATOM 29 CG2 ILE 32 3.247 1.835 -7.860 1.00 0.00 ATOM 30 CD1 ILE 32 2.649 4.824 -7.405 1.00 0.00 ATOM 31 O ILE 32 1.566 -0.815 -8.003 1.00 0.00 ATOM 32 C ILE 32 1.205 0.015 -7.165 1.00 0.00 ATOM 33 N ILE 33 1.164 -0.259 -5.870 1.00 0.00 ATOM 34 CA ILE 33 1.561 -1.563 -5.367 1.00 0.00 ATOM 35 CB ILE 33 1.416 -1.647 -3.837 1.00 0.00 ATOM 36 CG1 ILE 33 2.429 -0.724 -3.154 1.00 0.00 ATOM 37 CG2 ILE 33 1.659 -3.069 -3.355 1.00 0.00 ATOM 38 CD1 ILE 33 2.181 -0.535 -1.673 1.00 0.00 ATOM 39 O ILE 33 1.231 -3.686 -6.433 1.00 0.00 ATOM 40 C ILE 33 0.704 -2.673 -5.971 1.00 0.00 ATOM 41 N SER 34 -0.612 -2.492 -5.984 1.00 0.00 ATOM 42 CA SER 34 -1.489 -3.521 -6.533 1.00 0.00 ATOM 43 CB SER 34 -2.957 -3.149 -6.309 1.00 0.00 ATOM 44 OG SER 34 -3.278 -3.148 -4.928 1.00 0.00 ATOM 45 O SER 34 -1.352 -4.818 -8.538 1.00 0.00 ATOM 46 C SER 34 -1.277 -3.698 -8.025 1.00 0.00 ATOM 47 N VAL 35 -1.007 -2.604 -8.730 1.00 0.00 ATOM 48 CA VAL 35 -0.781 -2.694 -10.169 1.00 0.00 ATOM 49 CB VAL 35 -0.677 -1.298 -10.811 1.00 0.00 ATOM 50 CG1 VAL 35 -0.255 -1.413 -12.269 1.00 0.00 ATOM 51 CG2 VAL 35 -2.018 -0.584 -10.754 1.00 0.00 ATOM 52 O VAL 35 0.560 -4.223 -11.436 1.00 0.00 ATOM 53 C VAL 35 0.512 -3.441 -10.486 1.00 0.00 ATOM 54 N LEU 36 1.560 -3.203 -9.705 1.00 0.00 ATOM 55 CA LEU 36 2.832 -3.882 -9.929 1.00 0.00 ATOM 56 CB LEU 36 3.936 -3.246 -9.082 1.00 0.00 ATOM 57 CG LEU 36 5.337 -3.840 -9.237 1.00 0.00 ATOM 58 CD1 LEU 36 5.823 -3.703 -10.670 1.00 0.00 ATOM 59 CD2 LEU 36 6.327 -3.126 -8.328 1.00 0.00 ATOM 60 O LEU 36 3.254 -6.238 -10.185 1.00 0.00 ATOM 61 C LEU 36 2.680 -5.348 -9.544 1.00 0.00 ATOM 62 N GLY 37 1.907 -5.585 -8.490 1.00 0.00 ATOM 63 CA GLY 37 1.638 -6.925 -7.983 1.00 0.00 ATOM 64 O GLY 37 1.367 -8.986 -9.199 1.00 0.00 ATOM 65 C GLY 37 1.011 -7.809 -9.058 1.00 0.00 ATOM 66 N GLY 39 0.084 -7.246 -9.824 1.00 0.00 ATOM 67 CA GLY 39 -0.582 -8.017 -10.862 1.00 0.00 ATOM 68 O GLY 39 -0.112 -8.842 -13.063 1.00 0.00 ATOM 69 C GLY 39 0.215 -8.066 -12.161 1.00 0.00 ATOM 70 N SER 40 1.265 -7.253 -12.260 1.00 0.00 ATOM 71 CA SER 40 2.085 -7.240 -13.467 1.00 0.00 ATOM 72 CB SER 40 1.687 -6.071 -14.372 1.00 0.00 ATOM 73 OG SER 40 2.348 -6.147 -15.623 1.00 0.00 ATOM 74 O SER 40 4.192 -6.061 -13.393 1.00 0.00 ATOM 75 C SER 40 3.569 -7.093 -13.125 1.00 0.00 ATOM 76 N THR 41 4.159 -8.142 -12.520 1.00 0.00 ATOM 77 CA THR 41 5.573 -8.130 -12.138 1.00 0.00 ATOM 78 CB THR 41 6.017 -9.495 -11.582 1.00 0.00 ATOM 79 CG2 THR 41 7.474 -9.443 -11.145 1.00 0.00 ATOM 80 OG1 THR 41 5.208 -9.842 -10.452 1.00 0.00 ATOM 81 O THR 41 6.369 -8.403 -14.389 1.00 0.00 ATOM 82 C THR 41 6.490 -7.811 -13.315 1.00 0.00 ATOM 83 N ARG 42 7.395 -6.859 -13.108 1.00 0.00 ATOM 84 CA ARG 42 8.321 -6.475 -14.157 1.00 0.00 ATOM 85 CB ARG 42 8.549 -7.638 -15.124 1.00 0.00 ATOM 86 CG ARG 42 9.260 -8.830 -14.505 1.00 0.00 ATOM 87 CD ARG 42 9.453 -9.946 -15.518 1.00 0.00 ATOM 88 NE ARG 42 10.106 -11.112 -14.930 1.00 0.00 ATOM 89 CZ ARG 42 10.307 -12.259 -15.572 1.00 0.00 ATOM 90 NH1 ARG 42 10.910 -13.267 -14.956 1.00 0.00 ATOM 91 NH2 ARG 42 9.903 -12.396 -16.828 1.00 0.00 ATOM 92 O ARG 42 8.583 -4.878 -15.911 1.00 0.00 ATOM 93 C ARG 42 7.869 -5.303 -15.005 1.00 0.00 ATOM 94 N GLN 43 6.681 -4.778 -14.724 1.00 0.00 ATOM 95 CA GLN 43 6.175 -3.648 -15.483 1.00 0.00 ATOM 96 CB GLN 43 4.827 -3.187 -14.926 1.00 0.00 ATOM 97 CG GLN 43 4.177 -2.063 -15.718 1.00 0.00 ATOM 98 CD GLN 43 2.804 -1.698 -15.193 1.00 0.00 ATOM 99 OE1 GLN 43 2.327 -2.278 -14.217 1.00 0.00 ATOM 100 NE2 GLN 43 2.162 -0.732 -15.840 1.00 0.00 ATOM 101 O GLN 43 7.778 -2.272 -14.331 1.00 0.00 ATOM 102 C GLN 43 7.184 -2.501 -15.385 1.00 0.00 ATOM 103 N ASN 44 7.391 -1.801 -16.497 1.00 0.00 ATOM 104 CA ASN 44 8.317 -0.672 -16.524 1.00 0.00 ATOM 105 CB ASN 44 8.645 -0.283 -17.967 1.00 0.00 ATOM 106 CG ASN 44 9.522 -1.306 -18.662 1.00 0.00 ATOM 107 ND2 ASN 44 9.509 -1.291 -19.989 1.00 0.00 ATOM 108 OD1 ASN 44 10.202 -2.099 -18.009 1.00 0.00 ATOM 109 O ASN 44 6.443 0.676 -15.874 1.00 0.00 ATOM 110 C ASN 44 7.664 0.510 -15.818 1.00 0.00 ATOM 111 N PHE 45 8.477 1.329 -15.160 1.00 0.00 ATOM 112 CA PHE 45 7.952 2.493 -14.463 1.00 0.00 ATOM 113 CB PHE 45 9.088 3.291 -13.822 1.00 0.00 ATOM 114 CG PHE 45 8.627 4.518 -13.086 1.00 0.00 ATOM 115 CD1 PHE 45 8.082 4.417 -11.818 1.00 0.00 ATOM 116 CD2 PHE 45 8.738 5.770 -13.663 1.00 0.00 ATOM 117 CE1 PHE 45 7.659 5.545 -11.142 1.00 0.00 ATOM 118 CE2 PHE 45 8.314 6.899 -12.987 1.00 0.00 ATOM 119 CZ PHE 45 7.777 6.791 -11.731 1.00 0.00 ATOM 120 O PHE 45 6.156 3.923 -15.099 1.00 0.00 ATOM 121 C PHE 45 7.213 3.397 -15.433 1.00 0.00 ATOM 122 N ASN 46 7.757 3.585 -16.634 1.00 0.00 ATOM 123 CA ASN 46 7.090 4.447 -17.597 1.00 0.00 ATOM 124 CB ASN 46 7.972 4.657 -18.830 1.00 0.00 ATOM 125 CG ASN 46 9.155 5.564 -18.551 1.00 0.00 ATOM 126 ND2 ASN 46 10.182 5.467 -19.389 1.00 0.00 ATOM 127 OD1 ASN 46 9.144 6.340 -17.598 1.00 0.00 ATOM 128 O ASN 46 4.854 4.573 -18.429 1.00 0.00 ATOM 129 C ASN 46 5.770 3.842 -18.058 1.00 0.00 ATOM 130 N ASP 47 5.661 2.514 -18.028 1.00 0.00 ATOM 131 CA ASP 47 4.424 1.846 -18.430 1.00 0.00 ATOM 132 CB ASP 47 4.671 0.353 -18.656 1.00 0.00 ATOM 133 CG ASP 47 5.449 0.076 -19.925 1.00 0.00 ATOM 134 OD1 ASP 47 5.586 1.001 -20.753 1.00 0.00 ATOM 135 OD2 ASP 47 5.925 -1.068 -20.094 1.00 0.00 ATOM 136 O ASP 47 2.185 2.169 -17.606 1.00 0.00 ATOM 137 C ASP 47 3.381 2.021 -17.329 1.00 0.00 ATOM 138 N ILE 48 3.832 2.004 -16.079 1.00 0.00 ATOM 139 CA ILE 48 2.922 2.206 -14.960 1.00 0.00 ATOM 140 CB ILE 48 3.624 1.959 -13.611 1.00 0.00 ATOM 141 CG1 ILE 48 3.988 0.480 -13.461 1.00 0.00 ATOM 142 CG2 ILE 48 2.713 2.350 -12.457 1.00 0.00 ATOM 143 CD1 ILE 48 4.906 0.193 -12.294 1.00 0.00 ATOM 144 O ILE 48 1.246 3.916 -14.802 1.00 0.00 ATOM 145 C ILE 48 2.427 3.656 -15.020 1.00 0.00 ATOM 146 N ARG 49 3.333 4.585 -15.322 1.00 0.00 ATOM 147 CA ARG 49 2.975 5.999 -15.439 1.00 0.00 ATOM 148 CB ARG 49 4.208 6.837 -15.785 1.00 0.00 ATOM 149 CG ARG 49 3.944 8.334 -15.845 1.00 0.00 ATOM 150 CD ARG 49 5.202 9.100 -16.219 1.00 0.00 ATOM 151 NE ARG 49 5.657 8.779 -17.570 1.00 0.00 ATOM 152 CZ ARG 49 5.114 9.272 -18.678 1.00 0.00 ATOM 153 NH1 ARG 49 5.594 8.923 -19.864 1.00 0.00 ATOM 154 NH2 ARG 49 4.093 10.113 -18.598 1.00 0.00 ATOM 155 O ARG 49 0.957 6.908 -16.360 1.00 0.00 ATOM 156 C ARG 49 1.936 6.188 -16.534 1.00 0.00 ATOM 157 N SER 50 2.149 5.544 -17.673 1.00 0.00 ATOM 158 CA SER 50 1.216 5.659 -18.782 1.00 0.00 ATOM 159 CB SER 50 1.743 4.905 -20.005 1.00 0.00 ATOM 160 OG SER 50 2.923 5.510 -20.506 1.00 0.00 ATOM 161 O SER 50 -1.178 5.642 -18.716 1.00 0.00 ATOM 162 C SER 50 -0.135 5.074 -18.400 1.00 0.00 ATOM 163 N SER 51 -0.116 3.947 -17.697 1.00 0.00 ATOM 164 CA SER 51 -1.347 3.291 -17.275 1.00 0.00 ATOM 165 CB SER 51 -1.033 2.053 -16.433 1.00 0.00 ATOM 166 OG SER 51 -0.382 1.060 -17.207 1.00 0.00 ATOM 167 O SER 51 -3.451 4.260 -16.642 1.00 0.00 ATOM 168 C SER 51 -2.234 4.205 -16.433 1.00 0.00 ATOM 169 N ILE 52 -1.631 4.913 -15.481 1.00 0.00 ATOM 170 CA ILE 52 -2.391 5.809 -14.606 1.00 0.00 ATOM 171 CB ILE 52 -1.641 6.082 -13.289 1.00 0.00 ATOM 172 CG1 ILE 52 -1.552 4.804 -12.451 1.00 0.00 ATOM 173 CG2 ILE 52 -2.364 7.143 -12.473 1.00 0.00 ATOM 174 CD1 ILE 52 -0.611 4.910 -11.273 1.00 0.00 ATOM 175 O ILE 52 -3.549 7.902 -14.755 1.00 0.00 ATOM 176 C ILE 52 -2.672 7.172 -15.225 1.00 0.00 ATOM 177 N GLY 54 -1.933 7.518 -16.270 1.00 0.00 ATOM 178 CA GLY 54 -2.120 8.795 -16.947 1.00 0.00 ATOM 179 O GLY 54 -2.640 11.011 -16.186 1.00 0.00 ATOM 180 C GLY 54 -1.960 9.999 -16.022 1.00 0.00 ATOM 181 N ILE 55 -1.074 9.888 -15.039 1.00 0.00 ATOM 182 CA ILE 55 -0.818 11.001 -14.130 1.00 0.00 ATOM 183 CB ILE 55 -0.857 10.549 -12.659 1.00 0.00 ATOM 184 CG1 ILE 55 0.231 9.506 -12.392 1.00 0.00 ATOM 185 CG2 ILE 55 -2.208 9.933 -12.326 1.00 0.00 ATOM 186 CD1 ILE 55 0.414 9.176 -10.927 1.00 0.00 ATOM 187 O ILE 55 1.349 10.952 -15.159 1.00 0.00 ATOM 188 C ILE 55 0.564 11.568 -14.440 1.00 0.00 ATOM 189 N SER 56 0.863 12.739 -13.898 1.00 0.00 ATOM 190 CA SER 56 2.157 13.359 -14.151 1.00 0.00 ATOM 191 CB SER 56 2.245 14.717 -13.451 1.00 0.00 ATOM 192 OG SER 56 2.245 14.565 -12.042 1.00 0.00 ATOM 193 O SER 56 3.194 11.805 -12.621 1.00 0.00 ATOM 194 C SER 56 3.308 12.497 -13.641 1.00 0.00 ATOM 195 N SER 57 4.419 12.536 -14.364 1.00 0.00 ATOM 196 CA SER 57 5.602 11.760 -14.017 1.00 0.00 ATOM 197 CB SER 57 6.739 12.049 -14.999 1.00 0.00 ATOM 198 OG SER 57 7.169 13.395 -14.900 1.00 0.00 ATOM 199 O SER 57 6.555 11.156 -11.902 1.00 0.00 ATOM 200 C SER 57 6.133 12.062 -12.622 1.00 0.00 ATOM 201 N THR 58 6.124 13.335 -12.250 1.00 0.00 ATOM 202 CA THR 58 6.617 13.720 -10.939 1.00 0.00 ATOM 203 CB THR 58 6.483 15.237 -10.710 1.00 0.00 ATOM 204 CG2 THR 58 6.968 15.608 -9.316 1.00 0.00 ATOM 205 OG1 THR 58 7.270 15.940 -11.679 1.00 0.00 ATOM 206 O THR 58 6.480 12.565 -8.850 1.00 0.00 ATOM 207 C THR 58 5.867 13.040 -9.809 1.00 0.00 ATOM 208 N ILE 59 4.544 12.984 -9.921 1.00 0.00 ATOM 209 CA ILE 59 3.720 12.370 -8.891 1.00 0.00 ATOM 210 CB ILE 59 2.219 12.520 -9.204 1.00 0.00 ATOM 211 CG1 ILE 59 1.798 13.989 -9.109 1.00 0.00 ATOM 212 CG2 ILE 59 1.386 11.715 -8.219 1.00 0.00 ATOM 213 CD1 ILE 59 0.417 14.264 -9.659 1.00 0.00 ATOM 214 O ILE 59 4.201 10.381 -7.651 1.00 0.00 ATOM 215 C ILE 59 4.010 10.880 -8.760 1.00 0.00 ATOM 216 N LEU 60 4.057 10.172 -9.883 1.00 0.00 ATOM 217 CA LEU 60 4.336 8.745 -9.863 1.00 0.00 ATOM 218 CB LEU 60 4.270 8.167 -11.277 1.00 0.00 ATOM 219 CG LEU 60 4.529 6.663 -11.407 1.00 0.00 ATOM 220 CD1 LEU 60 3.490 5.871 -10.629 1.00 0.00 ATOM 221 CD2 LEU 60 4.465 6.230 -12.864 1.00 0.00 ATOM 222 O LEU 60 5.926 7.569 -8.522 1.00 0.00 ATOM 223 C LEU 60 5.728 8.497 -9.297 1.00 0.00 ATOM 224 N SER 61 6.690 9.336 -9.661 1.00 0.00 ATOM 225 CA SER 61 8.053 9.170 -9.173 1.00 0.00 ATOM 226 CB SER 61 8.959 10.270 -9.731 1.00 0.00 ATOM 227 OG SER 61 9.109 10.145 -11.133 1.00 0.00 ATOM 228 O SER 61 8.781 8.414 -7.017 1.00 0.00 ATOM 229 C SER 61 8.121 9.237 -7.650 1.00 0.00 ATOM 230 N ARG 62 7.448 10.225 -7.067 1.00 0.00 ATOM 231 CA ARG 62 7.445 10.382 -5.616 1.00 0.00 ATOM 232 CB ARG 62 6.767 11.696 -5.222 1.00 0.00 ATOM 233 CG ARG 62 7.573 12.937 -5.563 1.00 0.00 ATOM 234 CD ARG 62 6.809 14.204 -5.214 1.00 0.00 ATOM 235 NE ARG 62 7.569 15.409 -5.541 1.00 0.00 ATOM 236 CZ ARG 62 7.102 16.646 -5.410 1.00 0.00 ATOM 237 NH1 ARG 62 7.866 17.682 -5.731 1.00 0.00 ATOM 238 NH2 ARG 62 5.871 16.845 -4.959 1.00 0.00 ATOM 239 O ARG 62 7.102 8.759 -3.896 1.00 0.00 ATOM 240 C ARG 62 6.693 9.237 -4.948 1.00 0.00 ATOM 241 N ARG 63 5.596 8.799 -5.551 1.00 0.00 ATOM 242 CA ARG 63 4.822 7.697 -4.993 1.00 0.00 ATOM 243 CB ARG 63 3.569 7.444 -5.832 1.00 0.00 ATOM 244 CG ARG 63 2.512 8.530 -5.712 1.00 0.00 ATOM 245 CD ARG 63 1.317 8.238 -6.605 1.00 0.00 ATOM 246 NE ARG 63 0.311 9.296 -6.538 1.00 0.00 ATOM 247 CZ ARG 63 -0.802 9.316 -7.262 1.00 0.00 ATOM 248 NH1 ARG 63 -1.658 10.320 -7.135 1.00 0.00 ATOM 249 NH2 ARG 63 -1.058 8.330 -8.112 1.00 0.00 ATOM 250 O ARG 63 5.667 5.678 -3.964 1.00 0.00 ATOM 251 C ARG 63 5.646 6.406 -4.965 1.00 0.00 ATOM 252 N ILE 64 6.329 6.121 -6.067 1.00 0.00 ATOM 253 CA ILE 64 7.147 4.924 -6.151 1.00 0.00 ATOM 254 CB ILE 64 7.682 4.705 -7.579 1.00 0.00 ATOM 255 CG1 ILE 64 6.524 4.481 -8.553 1.00 0.00 ATOM 256 CG2 ILE 64 8.594 3.488 -7.625 1.00 0.00 ATOM 257 CD1 ILE 64 5.675 3.273 -8.225 1.00 0.00 ATOM 258 O ILE 64 8.762 4.001 -4.637 1.00 0.00 ATOM 259 C ILE 64 8.355 5.006 -5.218 1.00 0.00 ATOM 260 N LYS 65 8.921 6.199 -5.054 1.00 0.00 ATOM 261 CA LYS 65 10.065 6.353 -4.164 1.00 0.00 ATOM 262 CB LYS 65 10.567 7.798 -4.185 1.00 0.00 ATOM 263 CG LYS 65 11.243 8.202 -5.485 1.00 0.00 ATOM 264 CD LYS 65 11.718 9.645 -5.436 1.00 0.00 ATOM 265 CE LYS 65 12.371 10.057 -6.745 1.00 0.00 ATOM 266 NZ LYS 65 12.814 11.479 -6.723 1.00 0.00 ATOM 267 O LYS 65 10.397 5.328 -2.016 1.00 0.00 ATOM 268 C LYS 65 9.653 5.991 -2.738 1.00 0.00 ATOM 269 N ASP 66 8.461 6.417 -2.333 1.00 0.00 ATOM 270 CA ASP 66 7.972 6.104 -0.994 1.00 0.00 ATOM 271 CB ASP 66 6.625 6.785 -0.744 1.00 0.00 ATOM 272 CG ASP 66 6.757 8.283 -0.548 1.00 0.00 ATOM 273 OD1 ASP 66 7.897 8.761 -0.371 1.00 0.00 ATOM 274 OD2 ASP 66 5.720 8.979 -0.573 1.00 0.00 ATOM 275 O ASP 66 8.111 4.043 0.233 1.00 0.00 ATOM 276 C ASP 66 7.787 4.597 -0.822 1.00 0.00 ATOM 277 N LEU 67 7.271 3.925 -1.847 1.00 0.00 ATOM 278 CA LEU 67 7.073 2.482 -1.753 1.00 0.00 ATOM 279 CB LEU 67 6.339 1.960 -2.991 1.00 0.00 ATOM 280 CG LEU 67 4.875 2.379 -3.138 1.00 0.00 ATOM 281 CD1 LEU 67 4.326 1.946 -4.488 1.00 0.00 ATOM 282 CD2 LEU 67 4.023 1.744 -2.051 1.00 0.00 ATOM 283 O LEU 67 8.557 0.799 -0.919 1.00 0.00 ATOM 284 C LEU 67 8.414 1.779 -1.651 1.00 0.00 ATOM 285 N ILE 68 9.395 2.288 -2.383 1.00 0.00 ATOM 286 CA ILE 68 10.737 1.713 -2.377 1.00 0.00 ATOM 287 CB ILE 68 11.626 2.343 -3.466 1.00 0.00 ATOM 288 CG1 ILE 68 11.121 1.954 -4.858 1.00 0.00 ATOM 289 CG2 ILE 68 13.063 1.862 -3.324 1.00 0.00 ATOM 290 CD1 ILE 68 11.767 2.735 -5.981 1.00 0.00 ATOM 291 O ILE 68 12.060 1.045 -0.486 1.00 0.00 ATOM 292 C ILE 68 11.417 1.944 -1.026 1.00 0.00 ATOM 293 N ASP 69 11.268 3.145 -0.483 1.00 0.00 ATOM 294 CA ASP 69 11.870 3.475 0.806 1.00 0.00 ATOM 295 CB ASP 69 11.573 4.929 1.179 1.00 0.00 ATOM 296 CG ASP 69 12.363 5.918 0.346 1.00 0.00 ATOM 297 OD1 ASP 69 13.308 5.488 -0.349 1.00 0.00 ATOM 298 OD2 ASP 69 12.039 7.124 0.388 1.00 0.00 ATOM 299 O ASP 69 12.033 2.172 2.818 1.00 0.00 ATOM 300 C ASP 69 11.314 2.574 1.899 1.00 0.00 ATOM 301 N SER 70 10.025 2.264 1.802 1.00 0.00 ATOM 302 CA SER 70 9.371 1.403 2.782 1.00 0.00 ATOM 303 CB SER 70 7.851 1.562 2.705 1.00 0.00 ATOM 304 OG SER 70 7.349 1.065 1.477 1.00 0.00 ATOM 305 O SER 70 9.343 -0.926 3.368 1.00 0.00 ATOM 306 C SER 70 9.697 -0.072 2.553 1.00 0.00 ATOM 307 N GLY 71 10.365 -0.363 1.439 1.00 0.00 ATOM 308 CA GLY 71 10.744 -1.731 1.124 1.00 0.00 ATOM 309 O GLY 71 9.725 -3.835 0.628 1.00 0.00 ATOM 310 C GLY 71 9.644 -2.607 0.550 1.00 0.00 ATOM 311 N LEU 72 8.619 -1.998 -0.037 1.00 0.00 ATOM 312 CA LEU 72 7.518 -2.771 -0.607 1.00 0.00 ATOM 313 CB LEU 72 6.204 -1.995 -0.494 1.00 0.00 ATOM 314 CG LEU 72 5.717 -1.688 0.924 1.00 0.00 ATOM 315 CD1 LEU 72 4.455 -0.841 0.888 1.00 0.00 ATOM 316 CD2 LEU 72 5.405 -2.974 1.675 1.00 0.00 ATOM 317 O LEU 72 7.074 -4.013 -2.598 1.00 0.00 ATOM 318 C LEU 72 7.709 -3.103 -2.077 1.00 0.00 ATOM 319 N VAL 73 8.563 -2.349 -2.757 1.00 0.00 ATOM 320 CA VAL 73 8.837 -2.634 -4.159 1.00 0.00 ATOM 321 CB VAL 73 8.043 -1.698 -5.089 1.00 0.00 ATOM 322 CG1 VAL 73 6.547 -1.905 -4.905 1.00 0.00 ATOM 323 CG2 VAL 73 8.368 -0.244 -4.787 1.00 0.00 ATOM 324 O VAL 73 11.017 -1.791 -3.647 1.00 0.00 ATOM 325 C VAL 73 10.315 -2.440 -4.422 1.00 0.00 ATOM 326 N GLU 74 10.778 -3.013 -5.524 1.00 0.00 ATOM 327 CA GLU 74 12.167 -2.892 -5.924 1.00 0.00 ATOM 328 CB GLU 74 12.854 -4.258 -5.890 1.00 0.00 ATOM 329 CG GLU 74 12.951 -4.870 -4.502 1.00 0.00 ATOM 330 CD GLU 74 13.682 -6.199 -4.501 1.00 0.00 ATOM 331 OE1 GLU 74 14.074 -6.662 -5.592 1.00 0.00 ATOM 332 OE2 GLU 74 13.862 -6.776 -3.408 1.00 0.00 ATOM 333 O GLU 74 11.279 -2.617 -8.134 1.00 0.00 ATOM 334 C GLU 74 12.176 -2.335 -7.338 1.00 0.00 ATOM 335 N ARG 75 13.195 -1.540 -7.639 1.00 0.00 ATOM 336 CA ARG 75 13.334 -0.921 -8.947 1.00 0.00 ATOM 337 CB ARG 75 13.144 0.595 -8.846 1.00 0.00 ATOM 338 CG ARG 75 13.269 1.325 -10.173 1.00 0.00 ATOM 339 CD ARG 75 13.022 2.815 -10.008 1.00 0.00 ATOM 340 NE ARG 75 13.157 3.536 -11.272 1.00 0.00 ATOM 341 CZ ARG 75 12.930 4.837 -11.418 1.00 0.00 ATOM 342 NH1 ARG 75 13.078 5.407 -12.605 1.00 0.00 ATOM 343 NH2 ARG 75 12.557 5.566 -10.374 1.00 0.00 ATOM 344 O ARG 75 15.727 -0.986 -8.827 1.00 0.00 ATOM 345 C ARG 75 14.725 -1.210 -9.502 1.00 0.00 ATOM 346 N ARG 76 14.782 -1.715 -10.728 1.00 0.00 ATOM 347 CA ARG 76 16.060 -2.028 -11.362 1.00 0.00 ATOM 348 CB ARG 76 16.269 -3.542 -11.426 1.00 0.00 ATOM 349 CG ARG 76 16.374 -4.212 -10.066 1.00 0.00 ATOM 350 CD ARG 76 16.523 -5.719 -10.203 1.00 0.00 ATOM 351 NE ARG 76 16.645 -6.376 -8.903 1.00 0.00 ATOM 352 CZ ARG 76 16.755 -7.691 -8.739 1.00 0.00 ATOM 353 NH1 ARG 76 16.862 -8.200 -7.519 1.00 0.00 ATOM 354 NH2 ARG 76 16.755 -8.494 -9.795 1.00 0.00 ATOM 355 O ARG 76 15.072 -1.316 -13.423 1.00 0.00 ATOM 356 C ARG 76 16.105 -1.477 -12.783 1.00 0.00 ATOM 357 N SER 77 17.309 -1.189 -13.268 1.00 0.00 ATOM 358 CA SER 77 17.485 -0.650 -14.612 1.00 0.00 ATOM 359 CB SER 77 18.940 -0.235 -14.837 1.00 0.00 ATOM 360 OG SER 77 19.324 0.787 -13.933 1.00 0.00 ATOM 361 O SER 77 17.503 -2.835 -15.617 1.00 0.00 ATOM 362 C SER 77 17.127 -1.666 -15.693 1.00 0.00 ATOM 363 N GLY 78 18.559 2.043 -20.956 1.00 0.00 ATOM 364 CA GLY 78 19.042 2.719 -19.755 1.00 0.00 ATOM 365 O GLY 78 18.358 4.410 -18.194 1.00 0.00 ATOM 366 C GLY 78 18.133 3.841 -19.263 1.00 0.00 ATOM 367 N GLN 79 17.101 4.151 -20.042 1.00 0.00 ATOM 368 CA GLN 79 16.158 5.206 -19.686 1.00 0.00 ATOM 369 CB GLN 79 15.755 6.006 -20.927 1.00 0.00 ATOM 370 CG GLN 79 16.918 6.684 -21.632 1.00 0.00 ATOM 371 CD GLN 79 17.637 7.680 -20.743 1.00 0.00 ATOM 372 OE1 GLN 79 17.009 8.527 -20.107 1.00 0.00 ATOM 373 NE2 GLN 79 18.962 7.583 -20.697 1.00 0.00 ATOM 374 O GLN 79 13.970 5.370 -18.730 1.00 0.00 ATOM 375 C GLN 79 14.894 4.632 -19.066 1.00 0.00 ATOM 376 N ILE 80 14.849 3.311 -18.914 1.00 0.00 ATOM 377 CA ILE 80 13.674 2.665 -18.337 1.00 0.00 ATOM 378 CB ILE 80 13.033 1.672 -19.325 1.00 0.00 ATOM 379 CG1 ILE 80 14.031 0.573 -19.697 1.00 0.00 ATOM 380 CG2 ILE 80 12.607 2.388 -20.597 1.00 0.00 ATOM 381 CD1 ILE 80 13.423 -0.555 -20.502 1.00 0.00 ATOM 382 O ILE 80 15.153 1.473 -16.866 1.00 0.00 ATOM 383 C ILE 80 14.009 1.881 -17.071 1.00 0.00 ATOM 384 N THR 81 13.001 1.675 -16.227 1.00 0.00 ATOM 385 CA THR 81 13.167 0.950 -14.972 1.00 0.00 ATOM 386 CB THR 81 13.087 1.894 -13.759 1.00 0.00 ATOM 387 CG2 THR 81 14.157 2.972 -13.851 1.00 0.00 ATOM 388 OG1 THR 81 11.799 2.523 -13.724 1.00 0.00 ATOM 389 O THR 81 10.927 0.090 -15.075 1.00 0.00 ATOM 390 C THR 81 12.102 -0.120 -14.767 1.00 0.00 ATOM 391 N THR 82 12.530 -1.265 -14.242 1.00 0.00 ATOM 392 CA THR 82 11.650 -2.400 -13.994 1.00 0.00 ATOM 393 CB THR 82 12.360 -3.737 -14.271 1.00 0.00 ATOM 394 CG2 THR 82 11.432 -4.905 -13.979 1.00 0.00 ATOM 395 OG1 THR 82 12.760 -3.794 -15.648 1.00 0.00 ATOM 396 O THR 82 11.988 -2.249 -11.629 1.00 0.00 ATOM 397 C THR 82 11.185 -2.409 -12.547 1.00 0.00 ATOM 398 N TYR 83 9.887 -2.613 -12.348 1.00 0.00 ATOM 399 CA TYR 83 9.325 -2.636 -11.002 1.00 0.00 ATOM 400 CB TYR 83 8.154 -1.658 -10.894 1.00 0.00 ATOM 401 CG TYR 83 8.550 -0.208 -11.046 1.00 0.00 ATOM 402 CD1 TYR 83 8.483 0.424 -12.280 1.00 0.00 ATOM 403 CD2 TYR 83 8.992 0.527 -9.952 1.00 0.00 ATOM 404 CE1 TYR 83 8.843 1.750 -12.427 1.00 0.00 ATOM 405 CE2 TYR 83 9.356 1.854 -10.080 1.00 0.00 ATOM 406 CZ TYR 83 9.278 2.463 -11.332 1.00 0.00 ATOM 407 OH TYR 83 9.638 3.783 -11.476 1.00 0.00 ATOM 408 O TYR 83 8.263 -4.732 -11.439 1.00 0.00 ATOM 409 C TYR 83 8.810 -4.010 -10.617 1.00 0.00 ATOM 410 N ALA 84 8.987 -4.357 -9.349 1.00 0.00 ATOM 411 CA ALA 84 8.495 -5.622 -8.837 1.00 0.00 ATOM 412 CB ALA 84 9.535 -6.715 -9.031 1.00 0.00 ATOM 413 O ALA 84 8.850 -4.689 -6.658 1.00 0.00 ATOM 414 C ALA 84 8.198 -5.465 -7.356 1.00 0.00 ATOM 415 N LEU 85 7.192 -6.187 -6.883 1.00 0.00 ATOM 416 CA LEU 85 6.842 -6.125 -5.475 1.00 0.00 ATOM 417 CB LEU 85 5.392 -6.567 -5.265 1.00 0.00 ATOM 418 CG LEU 85 4.317 -5.704 -5.930 1.00 0.00 ATOM 419 CD1 LEU 85 2.937 -6.306 -5.721 1.00 0.00 ATOM 420 CD2 LEU 85 4.317 -4.299 -5.346 1.00 0.00 ATOM 421 O LEU 85 8.067 -8.163 -5.171 1.00 0.00 ATOM 422 C LEU 85 7.778 -7.058 -4.717 1.00 0.00 ATOM 423 N THR 86 8.267 -6.595 -3.576 1.00 0.00 ATOM 424 CA THR 86 9.164 -7.395 -2.756 1.00 0.00 ATOM 425 CB THR 86 9.954 -6.520 -1.765 1.00 0.00 ATOM 426 CG2 THR 86 10.741 -5.451 -2.509 1.00 0.00 ATOM 427 OG1 THR 86 9.048 -5.881 -0.859 1.00 0.00 ATOM 428 O THR 86 7.100 -8.363 -2.016 1.00 0.00 ATOM 429 C THR 86 8.329 -8.400 -1.976 1.00 0.00 ATOM 430 N GLU 87 8.998 -9.299 -1.262 1.00 0.00 ATOM 431 CA GLU 87 8.293 -10.290 -0.462 1.00 0.00 ATOM 432 CB GLU 87 9.285 -11.235 0.218 1.00 0.00 ATOM 433 CG GLU 87 9.985 -12.190 -0.736 1.00 0.00 ATOM 434 CD GLU 87 11.048 -13.024 -0.049 1.00 0.00 ATOM 435 OE1 GLU 87 11.290 -12.804 1.157 1.00 0.00 ATOM 436 OE2 GLU 87 11.642 -13.897 -0.716 1.00 0.00 ATOM 437 O GLU 87 6.336 -9.895 0.876 1.00 0.00 ATOM 438 C GLU 87 7.483 -9.547 0.594 1.00 0.00 ATOM 439 N LYS 88 8.097 -8.515 1.164 1.00 0.00 ATOM 440 CA LYS 88 7.463 -7.690 2.185 1.00 0.00 ATOM 441 CB LYS 88 8.406 -6.572 2.633 1.00 0.00 ATOM 442 CG LYS 88 9.598 -7.053 3.445 1.00 0.00 ATOM 443 CD LYS 88 10.489 -5.893 3.857 1.00 0.00 ATOM 444 CE LYS 88 11.693 -6.377 4.650 1.00 0.00 ATOM 445 NZ LYS 88 12.593 -5.254 5.032 1.00 0.00 ATOM 446 O LYS 88 5.154 -7.029 2.281 1.00 0.00 ATOM 447 C LYS 88 6.189 -7.068 1.617 1.00 0.00 ATOM 448 N GLY 89 6.273 -6.585 0.380 1.00 0.00 ATOM 449 CA GLY 89 5.116 -5.981 -0.259 1.00 0.00 ATOM 450 O GLY 89 2.818 -6.643 -0.312 1.00 0.00 ATOM 451 C GLY 89 3.988 -6.964 -0.513 1.00 0.00 ATOM 452 N MET 90 4.328 -8.167 -0.963 1.00 0.00 ATOM 453 CA MET 90 3.315 -9.180 -1.237 1.00 0.00 ATOM 454 CB MET 90 3.950 -10.409 -1.889 1.00 0.00 ATOM 455 CG MET 90 4.471 -10.166 -3.296 1.00 0.00 ATOM 456 SD MET 90 3.183 -9.614 -4.431 1.00 0.00 ATOM 457 CE MET 90 2.174 -11.091 -4.540 1.00 0.00 ATOM 458 O MET 90 1.454 -10.011 0.032 1.00 0.00 ATOM 459 C MET 90 2.623 -9.629 0.045 1.00 0.00 ATOM 460 N ASN 91 3.339 -9.566 1.160 1.00 0.00 ATOM 461 CA ASN 91 2.777 -10.003 2.426 1.00 0.00 ATOM 462 CB ASN 91 3.885 -10.212 3.461 1.00 0.00 ATOM 463 CG ASN 91 4.755 -11.413 3.147 1.00 0.00 ATOM 464 ND2 ASN 91 5.971 -11.415 3.681 1.00 0.00 ATOM 465 OD1 ASN 91 4.337 -12.326 2.435 1.00 0.00 ATOM 466 O ASN 91 1.020 -9.437 3.945 1.00 0.00 ATOM 467 C ASN 91 1.786 -9.040 3.065 1.00 0.00 ATOM 468 N VAL 92 1.780 -7.785 2.620 1.00 0.00 ATOM 469 CA VAL 92 0.841 -6.810 3.173 1.00 0.00 ATOM 470 CB VAL 92 1.479 -5.412 3.281 1.00 0.00 ATOM 471 CG1 VAL 92 2.698 -5.452 4.191 1.00 0.00 ATOM 472 CG2 VAL 92 1.918 -4.918 1.911 1.00 0.00 ATOM 473 O VAL 92 -1.325 -5.935 2.662 1.00 0.00 ATOM 474 C VAL 92 -0.406 -6.669 2.307 1.00 0.00 ATOM 475 N ARG 93 -0.440 -7.367 1.174 1.00 0.00 ATOM 476 CA ARG 93 -1.595 -7.298 0.278 1.00 0.00 ATOM 477 CB ARG 93 -1.381 -8.199 -0.940 1.00 0.00 ATOM 478 CG ARG 93 -2.519 -8.161 -1.947 1.00 0.00 ATOM 479 CD ARG 93 -2.191 -8.985 -3.182 1.00 0.00 ATOM 480 NE ARG 93 -3.291 -8.995 -4.142 1.00 0.00 ATOM 481 CZ ARG 93 -3.285 -9.678 -5.281 1.00 0.00 ATOM 482 NH1 ARG 93 -4.331 -9.626 -6.093 1.00 0.00 ATOM 483 NH2 ARG 93 -2.231 -10.414 -5.605 1.00 0.00 ATOM 484 O ARG 93 -3.941 -7.144 0.783 1.00 0.00 ATOM 485 C ARG 93 -2.884 -7.750 0.970 1.00 0.00 ATOM 486 N ASN 94 -2.829 -8.842 1.754 1.00 0.00 ATOM 487 CA ASN 94 -4.054 -9.279 2.428 1.00 0.00 ATOM 488 CB ASN 94 -3.781 -10.519 3.282 1.00 0.00 ATOM 489 CG ASN 94 -3.576 -11.768 2.448 1.00 0.00 ATOM 490 ND2 ASN 94 -2.946 -12.776 3.040 1.00 0.00 ATOM 491 OD1 ASN 94 -3.980 -11.825 1.286 1.00 0.00 ATOM 492 O ASN 94 -5.816 -8.011 3.439 1.00 0.00 ATOM 493 C ASN 94 -4.602 -8.189 3.339 1.00 0.00 ATOM 494 N SER 95 -3.701 -7.466 4.001 1.00 0.00 ATOM 495 CA SER 95 -4.092 -6.380 4.891 1.00 0.00 ATOM 496 CB SER 95 -2.863 -5.779 5.577 1.00 0.00 ATOM 497 OG SER 95 -2.256 -6.716 6.449 1.00 0.00 ATOM 498 O SER 95 -5.805 -4.744 4.499 1.00 0.00 ATOM 499 C SER 95 -4.790 -5.300 4.078 1.00 0.00 ATOM 500 N LEU 96 -4.230 -5.001 2.913 1.00 0.00 ATOM 501 CA LEU 96 -4.793 -3.993 2.028 1.00 0.00 ATOM 502 CB LEU 96 -3.907 -3.809 0.793 1.00 0.00 ATOM 503 CG LEU 96 -2.553 -3.138 1.023 1.00 0.00 ATOM 504 CD1 LEU 96 -1.704 -3.192 -0.237 1.00 0.00 ATOM 505 CD2 LEU 96 -2.736 -1.678 1.412 1.00 0.00 ATOM 506 O LEU 96 -7.122 -3.612 1.595 1.00 0.00 ATOM 507 C LEU 96 -6.184 -4.407 1.564 1.00 0.00 ATOM 508 N MET 97 -6.329 -5.658 1.147 1.00 0.00 ATOM 509 CA MET 97 -7.625 -6.135 0.687 1.00 0.00 ATOM 510 CB MET 97 -7.506 -7.557 0.134 1.00 0.00 ATOM 511 CG MET 97 -6.710 -7.656 -1.158 1.00 0.00 ATOM 512 SD MET 97 -7.417 -6.665 -2.488 1.00 0.00 ATOM 513 CE MET 97 -8.944 -7.549 -2.794 1.00 0.00 ATOM 514 O MET 97 -9.834 -5.940 1.579 1.00 0.00 ATOM 515 C MET 97 -8.651 -6.159 1.815 1.00 0.00 ATOM 516 N PRO 98 -8.206 -6.421 3.040 1.00 0.00 ATOM 517 CA PRO 98 -9.121 -6.437 4.176 1.00 0.00 ATOM 518 CB PRO 98 -8.271 -6.976 5.328 1.00 0.00 ATOM 519 CG PRO 98 -7.179 -7.743 4.661 1.00 0.00 ATOM 520 CD PRO 98 -6.877 -7.010 3.384 1.00 0.00 ATOM 521 O PRO 98 -10.788 -4.799 4.752 1.00 0.00 ATOM 522 C PRO 98 -9.615 -5.015 4.435 1.00 0.00 ATOM 523 N LEU 99 -8.713 -4.046 4.304 1.00 0.00 ATOM 524 CA LEU 99 -9.086 -2.651 4.503 1.00 0.00 ATOM 525 CB LEU 99 -7.849 -1.752 4.437 1.00 0.00 ATOM 526 CG LEU 99 -6.853 -1.884 5.589 1.00 0.00 ATOM 527 CD1 LEU 99 -5.595 -1.074 5.309 1.00 0.00 ATOM 528 CD2 LEU 99 -7.462 -1.382 6.889 1.00 0.00 ATOM 529 O LEU 99 -11.029 -1.503 3.680 1.00 0.00 ATOM 530 C LEU 99 -10.071 -2.230 3.407 1.00 0.00 ATOM 531 N LEU 100 -9.849 -2.697 2.180 1.00 0.00 ATOM 532 CA LEU 100 -10.758 -2.370 1.081 1.00 0.00 ATOM 533 CB LEU 100 -10.275 -3.009 -0.223 1.00 0.00 ATOM 534 CG LEU 100 -8.993 -2.432 -0.826 1.00 0.00 ATOM 535 CD1 LEU 100 -8.530 -3.270 -2.008 1.00 0.00 ATOM 536 CD2 LEU 100 -9.220 -1.009 -1.312 1.00 0.00 ATOM 537 O LEU 100 -13.151 -2.202 1.189 1.00 0.00 ATOM 538 C LEU 100 -12.154 -2.893 1.397 1.00 0.00 ATOM 539 N GLN 101 -12.220 -4.125 1.898 1.00 0.00 ATOM 540 CA GLN 101 -13.488 -4.755 2.249 1.00 0.00 ATOM 541 CB GLN 101 -13.255 -6.179 2.760 1.00 0.00 ATOM 542 CG GLN 101 -12.817 -7.159 1.684 1.00 0.00 ATOM 543 CD GLN 101 -12.486 -8.528 2.244 1.00 0.00 ATOM 544 OE1 GLN 101 -12.497 -8.733 3.459 1.00 0.00 ATOM 545 NE2 GLN 101 -12.192 -9.474 1.359 1.00 0.00 ATOM 546 O GLN 101 -15.410 -3.737 3.268 1.00 0.00 ATOM 547 C GLN 101 -14.203 -3.965 3.344 1.00 0.00 ATOM 548 N TYR 102 -13.456 -3.563 4.370 1.00 0.00 ATOM 549 CA TYR 102 -14.031 -2.794 5.467 1.00 0.00 ATOM 550 CB TYR 102 -12.971 -2.502 6.529 1.00 0.00 ATOM 551 CG TYR 102 -13.480 -1.682 7.693 1.00 0.00 ATOM 552 CD1 TYR 102 -14.236 -2.267 8.700 1.00 0.00 ATOM 553 CD2 TYR 102 -13.204 -0.323 7.780 1.00 0.00 ATOM 554 CE1 TYR 102 -14.705 -1.525 9.767 1.00 0.00 ATOM 555 CE2 TYR 102 -13.666 0.435 8.839 1.00 0.00 ATOM 556 CZ TYR 102 -14.421 -0.178 9.837 1.00 0.00 ATOM 557 OH TYR 102 -14.888 0.563 10.898 1.00 0.00 ATOM 558 O TYR 102 -15.658 -1.024 5.388 1.00 0.00 ATOM 559 C TYR 102 -14.585 -1.462 4.965 1.00 0.00 ATOM 560 N ILE 103 -13.848 -0.804 4.073 1.00 0.00 ATOM 561 CA ILE 103 -14.302 0.472 3.534 1.00 0.00 ATOM 562 CB ILE 103 -13.268 1.076 2.566 1.00 0.00 ATOM 563 CG1 ILE 103 -12.003 1.484 3.323 1.00 0.00 ATOM 564 CG2 ILE 103 -13.837 2.307 1.878 1.00 0.00 ATOM 565 CD1 ILE 103 -10.838 1.835 2.424 1.00 0.00 ATOM 566 O ILE 103 -16.567 1.029 2.949 1.00 0.00 ATOM 567 C ILE 103 -15.613 0.272 2.775 1.00 0.00 ATOM 568 N SER 104 -15.659 -0.759 1.941 1.00 0.00 ATOM 569 CA SER 104 -16.864 -1.045 1.171 1.00 0.00 ATOM 570 CB SER 104 -16.646 -2.261 0.268 1.00 0.00 ATOM 571 OG SER 104 -15.677 -1.989 -0.728 1.00 0.00 ATOM 572 O SER 104 -19.161 -0.857 1.836 1.00 0.00 ATOM 573 C SER 104 -18.052 -1.342 2.077 1.00 0.00 ATOM 574 N VAL 105 -17.829 -2.129 3.126 1.00 0.00 ATOM 575 CA VAL 105 -18.926 -2.457 4.028 1.00 0.00 ATOM 576 CB VAL 105 -18.469 -3.407 5.150 1.00 0.00 ATOM 577 CG1 VAL 105 -19.570 -3.577 6.186 1.00 0.00 ATOM 578 CG2 VAL 105 -18.127 -4.777 4.584 1.00 0.00 ATOM 579 O VAL 105 -20.709 -1.060 4.828 1.00 0.00 ATOM 580 C VAL 105 -19.490 -1.203 4.686 1.00 0.00 ATOM 581 N LEU 106 -18.606 -0.298 5.086 1.00 0.00 ATOM 582 CA LEU 106 -19.035 0.949 5.708 1.00 0.00 ATOM 583 CB LEU 106 -17.828 1.747 6.201 1.00 0.00 ATOM 584 CG LEU 106 -18.131 3.073 6.903 1.00 0.00 ATOM 585 CD1 LEU 106 -18.976 2.841 8.147 1.00 0.00 ATOM 586 CD2 LEU 106 -16.843 3.764 7.325 1.00 0.00 ATOM 587 O LEU 106 -20.851 2.375 5.030 1.00 0.00 ATOM 588 C LEU 106 -19.807 1.811 4.709 1.00 0.00 ATOM 589 N ASP 107 -19.282 1.912 3.495 1.00 0.00 ATOM 590 CA ASP 107 -19.914 2.713 2.456 1.00 0.00 ATOM 591 CB ASP 107 -19.086 2.673 1.170 1.00 0.00 ATOM 592 CG ASP 107 -17.807 3.481 1.275 1.00 0.00 ATOM 593 OD1 ASP 107 -17.673 4.257 2.244 1.00 0.00 ATOM 594 OD2 ASP 107 -16.938 3.336 0.389 1.00 0.00 ATOM 595 O ASP 107 -22.232 3.017 1.888 1.00 0.00 ATOM 596 C ASP 107 -21.321 2.221 2.108 1.00 0.00 ATOM 597 N ARG 108 -21.483 0.903 2.062 1.00 0.00 ATOM 598 CA ARG 108 -22.758 0.279 1.707 1.00 0.00 ATOM 599 CB ARG 108 -22.523 -1.048 0.984 1.00 0.00 ATOM 600 CG ARG 108 -21.821 -0.908 -0.359 1.00 0.00 ATOM 601 CD ARG 108 -21.641 -2.259 -1.030 1.00 0.00 ATOM 602 NE ARG 108 -20.927 -2.147 -2.301 1.00 0.00 ATOM 603 CZ ARG 108 -20.570 -3.184 -3.051 1.00 0.00 ATOM 604 NH1 ARG 108 -19.923 -2.985 -4.192 1.00 0.00 ATOM 605 NH2 ARG 108 -20.861 -4.416 -2.659 1.00 0.00 ATOM 606 O ARG 108 -24.669 -0.775 2.667 1.00 0.00 ATOM 607 C ARG 108 -23.696 -0.054 2.864 1.00 0.00 ATOM 608 N ASN 109 -23.426 0.462 4.055 1.00 0.00 ATOM 609 CA ASN 109 -24.279 0.152 5.205 1.00 0.00 ATOM 610 CB ASN 109 -23.914 1.038 6.398 1.00 0.00 ATOM 611 CG ASN 109 -22.600 0.641 7.039 1.00 0.00 ATOM 612 ND2 ASN 109 -22.048 1.531 7.855 1.00 0.00 ATOM 613 OD1 ASN 109 -22.089 -0.454 6.803 1.00 0.00 ATOM 614 O ASN 109 -26.582 -0.481 5.440 1.00 0.00 ATOM 615 C ASN 109 -25.778 0.345 4.992 1.00 0.00 ATOM 616 N GLY 110 -26.163 1.420 4.310 1.00 0.00 ATOM 617 CA GLY 110 -27.578 1.696 4.085 1.00 0.00 ATOM 618 O GLY 110 -29.158 1.570 2.278 1.00 0.00 ATOM 619 C GLY 110 -28.102 1.157 2.754 1.00 0.00 TER END