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 1 Wed Jun 23 20:04:35 2010 MODEL 1 PARENT N/A ATOM 1 N SER 1 20.355 9.215 0.431 1.00999.00 ATOM 2 CA SER 1 20.017 9.068 -0.981 1.00999.00 ATOM 3 CB SER 1 21.287 8.998 -1.831 1.00999.00 ATOM 4 OG SER 1 20.976 8.771 -3.195 1.00999.00 ATOM 5 O SER 1 19.655 6.710 -1.242 1.00999.00 ATOM 6 C SER 1 19.152 7.833 -1.213 1.00999.00 ATOM 7 N ASN 2 17.850 8.044 -1.380 1.00999.00 ATOM 8 CA ASN 2 16.930 6.938 -1.613 1.00999.00 ATOM 9 CB ASN 2 17.163 6.316 -2.990 1.00999.00 ATOM 10 CG ASN 2 15.989 5.477 -3.457 1.00999.00 ATOM 11 ND2 ASN 2 16.267 4.492 -4.302 1.00999.00 ATOM 12 OD1 ASN 2 14.849 5.713 -3.058 1.00999.00 ATOM 13 O ASN 2 17.173 4.693 -0.794 1.00999.00 ATOM 14 C ASN 2 17.093 5.889 -0.512 1.00999.00 ATOM 15 N ALA 3 17.142 6.339 0.737 1.00999.00 ATOM 16 CA ALA 3 17.293 5.427 1.865 1.00999.00 ATOM 17 CB ALA 3 18.637 5.616 2.550 1.00999.00 ATOM 18 O ALA 3 15.901 6.757 3.271 1.00999.00 ATOM 19 C ALA 3 16.169 5.629 2.863 1.00999.00 ATOM 20 N MET 4 15.506 4.540 3.239 1.00999.00 ATOM 21 CA MET 4 14.550 4.568 4.327 1.00999.00 ATOM 22 CB MET 4 13.704 3.292 4.329 1.00999.00 ATOM 23 CG MET 4 12.819 3.132 3.103 1.00999.00 ATOM 24 SD MET 4 11.626 4.473 2.926 1.00999.00 ATOM 25 CE MET 4 10.805 3.997 1.406 1.00999.00 ATOM 26 O MET 4 16.351 4.192 5.857 1.00999.00 ATOM 27 C MET 4 15.273 4.734 5.657 1.00999.00 ATOM 28 N GLU 5 14.696 5.493 6.571 1.00999.00 ATOM 29 CA GLU 5 15.310 5.738 7.881 1.00999.00 ATOM 30 CB GLU 5 14.611 6.997 8.505 1.00999.00 ATOM 31 CG GLU 5 15.011 8.248 7.729 1.00999.00 ATOM 32 CD GLU 5 14.287 9.496 8.190 1.00999.00 ATOM 33 OE1 GLU 5 13.168 9.397 8.712 1.00999.00 ATOM 34 OE2 GLU 5 14.868 10.585 7.966 1.00999.00 ATOM 35 O GLU 5 16.297 4.337 9.589 1.00999.00 ATOM 36 C GLU 5 15.324 4.524 8.790 1.00999.00 ATOM 37 N ARG 6 14.200 3.766 8.810 1.00999.00 ATOM 38 CA ARG 6 14.001 2.648 9.672 1.00999.00 ATOM 39 CB ARG 6 13.634 2.666 10.922 1.00999.00 ATOM 40 CG ARG 6 14.787 2.062 11.705 1.00999.00 ATOM 41 CD ARG 6 15.347 3.041 12.719 1.00999.00 ATOM 42 NE ARG 6 14.311 3.582 13.592 1.00999.00 ATOM 43 CZ ARG 6 14.548 4.418 14.597 1.00999.00 ATOM 44 NH1 ARG 6 15.789 4.805 14.856 1.00999.00 ATOM 45 NH2 ARG 6 13.547 4.871 15.339 1.00999.00 ATOM 46 O ARG 6 12.286 1.570 8.393 1.00999.00 ATOM 47 C ARG 6 13.429 1.502 8.845 1.00999.00 ATOM 48 N HIS 7 14.214 0.354 8.790 1.00999.00 ATOM 49 CA HIS 7 13.767 -0.810 8.033 1.00999.00 ATOM 50 CB HIS 7 14.897 -1.835 7.908 1.00999.00 ATOM 51 CG HIS 7 14.525 -3.049 7.116 1.00999.00 ATOM 52 CD2 HIS 7 14.261 -4.447 7.423 1.00999.00 ATOM 53 ND1 HIS 7 14.349 -3.021 5.750 1.00999.00 ATOM 54 CE1 HIS 7 14.023 -4.256 5.326 1.00999.00 ATOM 55 NE2 HIS 7 13.969 -5.116 6.324 1.00999.00 ATOM 56 O HIS 7 11.580 -1.793 8.112 1.00999.00 ATOM 57 C HIS 7 12.591 -1.478 8.739 1.00999.00 ATOM 58 N GLN 8 12.726 -1.693 10.043 1.00999.00 ATOM 59 CA GLN 8 11.666 -2.321 10.818 1.00999.00 ATOM 60 CB GLN 8 12.063 -2.468 12.288 1.00999.00 ATOM 61 CG GLN 8 13.149 -3.501 12.539 1.00999.00 ATOM 62 CD GLN 8 13.596 -3.538 13.987 1.00999.00 ATOM 63 OE1 GLN 8 13.336 -2.610 14.751 1.00999.00 ATOM 64 NE2 GLN 8 14.272 -4.617 14.369 1.00999.00 ATOM 65 O GLN 8 9.290 -2.078 10.600 1.00999.00 ATOM 66 C GLN 8 10.374 -1.514 10.752 1.00999.00 ATOM 67 N HIS 9 10.492 -0.195 10.864 1.00999.00 ATOM 68 CA HIS 9 9.322 0.675 10.811 1.00999.00 ATOM 69 CB HIS 9 9.711 2.090 10.923 1.00999.00 ATOM 70 CG HIS 9 10.080 2.425 12.330 1.00999.00 ATOM 71 CD2 HIS 9 11.286 2.562 12.927 1.00999.00 ATOM 72 ND1 HIS 9 9.137 2.570 13.326 1.00999.00 ATOM 73 CE1 HIS 9 9.749 2.820 14.469 1.00999.00 ATOM 74 NE2 HIS 9 11.053 2.819 14.254 1.00999.00 ATOM 75 O HIS 9 7.377 0.645 9.408 1.00999.00 ATOM 76 C HIS 9 8.603 0.546 9.473 1.00999.00 ATOM 77 N LEU 10 9.366 0.324 8.407 1.00999.00 ATOM 78 CA LEU 10 8.784 0.180 7.078 1.00999.00 ATOM 79 CB LEU 10 9.884 0.223 6.016 1.00999.00 ATOM 80 CG LEU 10 10.587 1.567 5.820 1.00999.00 ATOM 81 CD1 LEU 10 11.772 1.423 4.878 1.00999.00 ATOM 82 CD2 LEU 10 9.615 2.611 5.291 1.00999.00 ATOM 83 O LEU 10 6.882 -1.094 6.405 1.00999.00 ATOM 84 C LEU 10 7.967 -1.095 6.976 1.00999.00 ATOM 85 N LEU 11 8.552 -2.088 7.488 1.00999.00 ATOM 86 CA LEU 11 7.855 -3.360 7.434 1.00999.00 ATOM 87 CB LEU 11 8.753 -4.467 7.989 1.00999.00 ATOM 88 CG LEU 11 8.156 -5.876 8.013 1.00999.00 ATOM 89 CD1 LEU 11 7.821 -6.341 6.605 1.00999.00 ATOM 90 CD2 LEU 11 9.110 -6.854 8.680 1.00999.00 ATOM 91 O LEU 11 5.485 -3.627 7.690 1.00999.00 ATOM 92 C LEU 11 6.545 -3.275 8.208 1.00999.00 ATOM 93 N SER 12 6.618 -2.806 9.450 1.00999.00 ATOM 94 CA SER 12 5.425 -2.679 10.283 1.00999.00 ATOM 95 CB SER 12 5.838 -2.299 11.706 1.00999.00 ATOM 96 OG SER 12 6.392 -0.995 11.745 1.00999.00 ATOM 97 O SER 12 3.191 -1.908 9.865 1.00999.00 ATOM 98 C SER 12 4.398 -1.702 9.721 1.00999.00 ATOM 99 N GLU 13 4.876 -0.640 9.080 1.00999.00 ATOM 100 CA GLU 13 3.983 0.357 8.500 1.00999.00 ATOM 101 CB GLU 13 4.827 1.684 8.293 1.00999.00 ATOM 102 CG GLU 13 5.397 2.333 9.545 1.00999.00 ATOM 103 CD GLU 13 4.414 2.381 10.730 1.00999.00 ATOM 104 OE1 GLU 13 3.238 2.814 10.570 1.00999.00 ATOM 105 OE2 GLU 13 4.815 1.975 11.846 1.00999.00 ATOM 106 O GLU 13 2.048 0.028 7.123 1.00999.00 ATOM 107 C GLU 13 3.248 -0.194 7.283 1.00999.00 ATOM 108 N TYR 14 3.968 -0.913 6.429 1.00999.00 ATOM 109 CA TYR 14 3.367 -1.490 5.233 1.00999.00 ATOM 110 CB TYR 14 4.423 -1.944 4.222 1.00999.00 ATOM 111 CG TYR 14 5.184 -0.805 3.580 1.00999.00 ATOM 112 CD1 TYR 14 6.538 -0.925 3.299 1.00999.00 ATOM 113 CD2 TYR 14 4.545 0.384 3.256 1.00999.00 ATOM 114 CE1 TYR 14 7.243 0.110 2.712 1.00999.00 ATOM 115 CE2 TYR 14 5.232 1.430 2.670 1.00999.00 ATOM 116 CZ TYR 14 6.592 1.283 2.398 1.00999.00 ATOM 117 OH TYR 14 7.291 2.314 1.814 1.00999.00 ATOM 118 O TYR 14 1.372 -2.809 4.997 1.00999.00 ATOM 119 C TYR 14 2.457 -2.674 5.566 1.00999.00 ATOM 120 N GLN 15 2.898 -3.523 6.476 1.00999.00 ATOM 121 CA GLN 15 2.094 -4.673 6.882 1.00999.00 ATOM 122 CB GLN 15 2.894 -5.572 7.828 1.00999.00 ATOM 123 CG GLN 15 4.057 -6.292 7.165 1.00999.00 ATOM 124 CD GLN 15 4.894 -7.080 8.153 1.00999.00 ATOM 125 OE1 GLN 15 4.985 -6.721 9.327 1.00999.00 ATOM 126 NE2 GLN 15 5.507 -8.158 7.680 1.00999.00 ATOM 127 O GLN 15 -0.272 -4.801 7.257 1.00999.00 ATOM 128 C GLN 15 0.783 -4.219 7.514 1.00999.00 ATOM 129 N GLN 16 0.850 -3.180 8.340 1.00999.00 ATOM 130 CA GLN 16 -0.343 -2.659 8.997 1.00999.00 ATOM 131 CB GLN 16 0.043 -1.673 10.101 1.00999.00 ATOM 132 CG GLN 16 -1.127 -1.197 10.946 1.00999.00 ATOM 133 CD GLN 16 -1.778 -2.322 11.725 1.00999.00 ATOM 134 OE1 GLN 16 -1.103 -3.084 12.416 1.00999.00 ATOM 135 NE2 GLN 16 -3.097 -2.430 11.616 1.00999.00 ATOM 136 O GLN 16 -2.503 -2.019 8.176 1.00999.00 ATOM 137 C GLN 16 -1.285 -1.996 8.000 1.00999.00 ATOM 138 N ILE 17 -0.721 -1.403 6.953 1.00999.00 ATOM 139 CA ILE 17 -1.526 -0.740 5.935 1.00999.00 ATOM 140 CB ILE 17 -0.631 -0.001 4.921 1.00999.00 ATOM 141 CG1 ILE 17 0.072 1.180 5.591 1.00999.00 ATOM 142 CG2 ILE 17 -1.445 0.435 3.712 1.00999.00 ATOM 143 CD1 ILE 17 1.187 1.778 4.761 1.00999.00 ATOM 144 O ILE 17 -3.594 -1.479 4.972 1.00999.00 ATOM 145 C ILE 17 -2.415 -1.742 5.207 1.00999.00 ATOM 146 N LEU 18 -1.848 -2.891 4.853 1.00999.00 ATOM 147 CA LEU 18 -2.605 -3.922 4.156 1.00999.00 ATOM 148 CB LEU 18 -1.688 -5.094 3.798 1.00999.00 ATOM 149 CG LEU 18 -0.626 -4.822 2.732 1.00999.00 ATOM 150 CD1 LEU 18 0.324 -6.005 2.605 1.00999.00 ATOM 151 CD2 LEU 18 -1.275 -4.520 1.390 1.00999.00 ATOM 152 O LEU 18 -4.865 -4.663 4.473 1.00999.00 ATOM 153 C LEU 18 -3.781 -4.404 4.998 1.00999.00 ATOM 154 N THR 19 -3.567 -4.523 6.304 1.00999.00 ATOM 155 CA THR 19 -4.621 -4.971 7.206 1.00999.00 ATOM 156 CB THR 19 -4.049 -5.273 8.605 1.00999.00 ATOM 157 CG2 THR 19 -5.155 -5.723 9.545 1.00999.00 ATOM 158 OG1 THR 19 -3.073 -6.318 8.509 1.00999.00 ATOM 159 O THR 19 -6.914 -4.273 7.317 1.00999.00 ATOM 160 C THR 19 -5.732 -3.933 7.323 1.00999.00 ATOM 161 N LEU 20 -5.343 -2.666 7.427 1.00999.00 ATOM 162 CA LEU 20 -6.307 -1.579 7.545 1.00999.00 ATOM 163 CB LEU 20 -5.587 -0.242 7.736 1.00999.00 ATOM 164 CG LEU 20 -4.856 -0.051 9.065 1.00999.00 ATOM 165 CD1 LEU 20 -4.051 1.240 9.055 1.00999.00 ATOM 166 CD2 LEU 20 -5.840 -0.051 10.225 1.00999.00 ATOM 167 O LEU 20 -8.411 -1.255 6.428 1.00999.00 ATOM 168 C LEU 20 -7.212 -1.518 6.317 1.00999.00 ATOM 169 N SER 21 -6.619 -1.806 5.136 1.00999.00 ATOM 170 CA SER 21 -7.375 -1.766 3.891 1.00999.00 ATOM 171 CB SER 21 -6.436 -1.880 2.689 1.00999.00 ATOM 172 OG SER 21 -7.158 -1.842 1.472 1.00999.00 ATOM 173 O SER 21 -9.550 -2.664 3.415 1.00999.00 ATOM 174 C SER 21 -8.418 -2.879 3.848 1.00999.00 ATOM 175 N GLU 22 -8.034 -4.062 4.315 1.00999.00 ATOM 176 CA GLU 22 -8.941 -5.202 4.350 1.00999.00 ATOM 177 CB GLU 22 -8.251 -6.417 4.973 1.00999.00 ATOM 178 CG GLU 22 -7.151 -7.016 4.111 1.00999.00 ATOM 179 CD GLU 22 -6.461 -8.189 4.780 1.00999.00 ATOM 180 OE1 GLU 22 -6.550 -8.301 6.021 1.00999.00 ATOM 181 OE2 GLU 22 -5.830 -8.993 4.064 1.00999.00 ATOM 182 O GLU 22 -11.282 -5.402 4.842 1.00999.00 ATOM 183 C GLU 22 -10.208 -4.882 5.138 1.00999.00 ATOM 184 N GLN 23 -10.070 -4.024 6.144 1.00999.00 ATOM 185 CA GLN 23 -11.203 -3.639 6.979 1.00999.00 ATOM 186 CB GLN 23 -10.738 -2.764 8.144 1.00999.00 ATOM 187 CG GLN 23 -9.944 -3.510 9.203 1.00999.00 ATOM 188 CD GLN 23 -9.402 -2.592 10.281 1.00999.00 ATOM 189 OE1 GLN 23 -9.135 -1.416 10.031 1.00999.00 ATOM 190 NE2 GLN 23 -9.239 -3.126 11.486 1.00999.00 ATOM 191 O GLN 23 -13.445 -3.224 6.233 1.00999.00 ATOM 192 C GLN 23 -12.254 -2.931 6.129 1.00999.00 ATOM 193 N MET 24 -11.808 -2.010 5.279 1.00999.00 ATOM 194 CA MET 24 -12.722 -1.285 4.404 1.00999.00 ATOM 195 CB MET 24 -11.982 -0.139 3.711 1.00999.00 ATOM 196 CG MET 24 -11.569 0.987 4.646 1.00999.00 ATOM 197 SD MET 24 -10.918 2.420 3.763 1.00999.00 ATOM 198 CE MET 24 -9.318 1.801 3.248 1.00999.00 ATOM 199 O MET 24 -14.564 -2.149 3.134 1.00999.00 ATOM 200 C MET 24 -13.362 -2.224 3.388 1.00999.00 ATOM 201 N LEU 25 -12.556 -3.108 2.808 1.00999.00 ATOM 202 CA LEU 25 -13.060 -4.056 1.822 1.00999.00 ATOM 203 CB LEU 25 -11.913 -4.858 1.202 1.00999.00 ATOM 204 CG LEU 25 -12.302 -5.895 0.148 1.00999.00 ATOM 205 CD1 LEU 25 -12.997 -5.228 -1.031 1.00999.00 ATOM 206 CD2 LEU 25 -11.081 -6.667 -0.324 1.00999.00 ATOM 207 O LEU 25 -15.132 -5.275 1.872 1.00999.00 ATOM 208 C LEU 25 -14.066 -5.016 2.440 1.00999.00 ATOM 209 N VAL 26 -13.727 -5.585 3.607 1.00999.00 ATOM 210 CA VAL 26 -14.625 -6.519 4.261 1.00999.00 ATOM 211 CB VAL 26 -13.969 -7.095 5.530 1.00999.00 ATOM 212 CG1 VAL 26 -14.976 -7.908 6.328 1.00999.00 ATOM 213 CG2 VAL 26 -12.760 -7.944 5.166 1.00999.00 ATOM 214 O VAL 26 -17.017 -6.442 4.444 1.00999.00 ATOM 215 C VAL 26 -15.951 -5.844 4.595 1.00999.00 ATOM 216 N LEU 27 -15.819 -4.617 5.085 1.00999.00 ATOM 217 CA LEU 27 -16.978 -3.814 5.455 1.00999.00 ATOM 218 CB LEU 27 -16.499 -2.555 6.239 1.00999.00 ATOM 219 CG LEU 27 -16.279 -2.751 7.736 1.00999.00 ATOM 220 CD1 LEU 27 -17.591 -2.703 8.477 1.00999.00 ATOM 221 CD2 LEU 27 -15.556 -4.054 8.048 1.00999.00 ATOM 222 O LEU 27 -19.090 -3.500 4.383 1.00999.00 ATOM 223 C LEU 27 -17.875 -3.582 4.246 1.00999.00 ATOM 224 N ALA 28 -17.281 -3.496 3.071 1.00999.00 ATOM 225 CA ALA 28 -18.049 -3.280 1.844 1.00999.00 ATOM 226 CB ALA 28 -17.087 -2.990 0.681 1.00999.00 ATOM 227 O ALA 28 -20.086 -4.372 1.205 1.00999.00 ATOM 228 C ALA 28 -18.899 -4.499 1.506 1.00999.00 ATOM 229 N THR 29 -18.291 -5.681 1.557 1.00999.00 ATOM 230 CA THR 29 -19.009 -6.913 1.256 1.00999.00 ATOM 231 CB THR 29 -18.055 -8.122 1.257 1.00999.00 ATOM 232 CG2 THR 29 -16.958 -7.937 0.221 1.00999.00 ATOM 233 OG1 THR 29 -17.448 -8.254 2.549 1.00999.00 ATOM 234 O THR 29 -21.168 -7.739 1.895 1.00999.00 ATOM 235 C THR 29 -20.153 -7.133 2.239 1.00999.00 ATOM 236 N GLU 30 -19.988 -6.640 3.462 1.00999.00 ATOM 237 CA GLU 30 -21.019 -6.790 4.483 1.00999.00 ATOM 238 CB GLU 30 -20.378 -7.170 5.838 1.00999.00 ATOM 239 CG GLU 30 -19.849 -8.619 5.857 1.00999.00 ATOM 240 CD GLU 30 -20.924 -9.686 5.889 1.00999.00 ATOM 241 OE1 GLU 30 -20.755 -10.810 5.439 1.00999.00 ATOM 242 OE2 GLU 30 -22.057 -9.311 6.452 1.00999.00 ATOM 243 O GLU 30 -22.934 -5.618 5.344 1.00999.00 ATOM 244 C GLU 30 -21.987 -5.619 4.544 1.00999.00 ATOM 245 N GLY 31 -21.762 -4.600 3.704 1.00999.00 ATOM 246 CA GLY 31 -22.692 -3.490 3.593 1.00999.00 ATOM 247 O GLY 31 -23.784 -2.723 5.587 1.00999.00 ATOM 248 C GLY 31 -22.745 -2.753 4.927 1.00999.00 ATOM 249 N ASN 32 -21.624 -2.158 5.321 1.00999.00 ATOM 250 CA ASN 32 -21.561 -1.422 6.579 1.00999.00 ATOM 251 CB ASN 32 -20.704 -2.174 7.600 1.00999.00 ATOM 252 CG ASN 32 -21.271 -3.537 7.946 1.00999.00 ATOM 253 ND2 ASN 32 -20.742 -4.576 7.310 1.00999.00 ATOM 254 OD1 ASN 32 -22.175 -3.652 8.773 1.00999.00 ATOM 255 O ASN 32 -19.885 0.291 6.695 1.00999.00 ATOM 256 C ASN 32 -21.014 -0.023 6.314 1.00999.00 ATOM 257 N TRP 33 -21.816 0.815 5.663 1.00999.00 ATOM 258 CA TRP 33 -21.396 2.178 5.359 1.00999.00 ATOM 259 CB TRP 33 -22.501 2.890 4.576 1.00999.00 ATOM 260 CG TRP 33 -23.764 3.080 5.359 1.00999.00 ATOM 261 CD1 TRP 33 -24.844 2.245 5.388 1.00999.00 ATOM 262 CD2 TRP 33 -24.079 4.175 6.230 1.00999.00 ATOM 263 CE2 TRP 33 -25.363 3.936 6.750 1.00999.00 ATOM 264 CE3 TRP 33 -23.398 5.331 6.619 1.00999.00 ATOM 265 NE1 TRP 33 -25.812 2.751 6.221 1.00999.00 ATOM 266 CZ2 TRP 33 -25.983 4.812 7.638 1.00999.00 ATOM 267 CZ3 TRP 33 -24.016 6.198 7.501 1.00999.00 ATOM 268 CH2 TRP 33 -25.295 5.937 8.003 1.00999.00 ATOM 269 O TRP 33 -20.178 3.757 6.684 1.00999.00 ATOM 270 C TRP 33 -21.095 2.931 6.642 1.00999.00 ATOM 271 N ASP 34 -21.852 2.609 7.705 1.00999.00 ATOM 272 CA ASP 34 -21.612 3.223 9.011 1.00999.00 ATOM 273 CB ASP 34 -22.764 2.879 9.957 1.00999.00 ATOM 274 CG ASP 34 -22.882 1.388 10.213 1.00999.00 ATOM 275 OD1 ASP 34 -23.047 0.628 9.235 1.00999.00 ATOM 276 OD2 ASP 34 -22.811 0.981 11.392 1.00999.00 ATOM 277 O ASP 34 -19.661 3.575 10.362 1.00999.00 ATOM 278 C ASP 34 -20.259 2.824 9.591 1.00999.00 ATOM 279 N ALA 35 -19.646 1.638 9.180 1.00999.00 ATOM 280 CA ALA 35 -18.347 1.168 9.647 1.00999.00 ATOM 281 CB ALA 35 -18.351 -0.350 9.721 1.00999.00 ATOM 282 O ALA 35 -16.029 1.428 9.068 1.00999.00 ATOM 283 C ALA 35 -17.201 1.651 8.763 1.00999.00 ATOM 284 N LEU 36 -17.548 2.315 7.666 1.00999.00 ATOM 285 CA LEU 36 -16.549 2.829 6.734 1.00999.00 ATOM 286 CB LEU 36 -17.204 3.220 5.408 1.00999.00 ATOM 287 CG LEU 36 -17.755 2.073 4.559 1.00999.00 ATOM 288 CD1 LEU 36 -18.527 2.612 3.364 1.00999.00 ATOM 289 CD2 LEU 36 -16.630 1.160 4.095 1.00999.00 ATOM 290 O LEU 36 -14.591 4.168 7.088 1.00999.00 ATOM 291 C LEU 36 -15.792 4.020 7.313 1.00999.00 ATOM 292 N VAL 37 -16.497 4.867 8.057 1.00999.00 ATOM 293 CA VAL 37 -15.874 6.038 8.661 1.00999.00 ATOM 294 CB VAL 37 -16.898 6.850 9.477 1.00999.00 ATOM 295 CG1 VAL 37 -16.199 7.942 10.271 1.00999.00 ATOM 296 CG2 VAL 37 -17.957 7.445 8.562 1.00999.00 ATOM 297 O VAL 37 -13.606 6.103 9.487 1.00999.00 ATOM 298 C VAL 37 -14.722 5.594 9.591 1.00999.00 ATOM 299 N ASP 38 -15.119 4.701 10.498 1.00999.00 ATOM 300 CA ASP 38 -14.068 4.219 11.384 1.00999.00 ATOM 301 CB ASP 38 -14.645 3.304 12.467 1.00999.00 ATOM 302 CG ASP 38 -15.467 4.060 13.490 1.00999.00 ATOM 303 OD1 ASP 38 -15.372 5.305 13.528 1.00999.00 ATOM 304 OD2 ASP 38 -16.208 3.408 14.256 1.00999.00 ATOM 305 O ASP 38 -11.806 3.635 10.927 1.00999.00 ATOM 306 C ASP 38 -12.992 3.451 10.627 1.00999.00 ATOM 307 N LEU 39 -13.385 2.607 9.681 1.00999.00 ATOM 308 CA LEU 39 -12.385 1.888 8.893 1.00999.00 ATOM 309 CB LEU 39 -13.018 1.004 7.873 1.00999.00 ATOM 310 CG LEU 39 -13.898 -0.098 8.458 1.00999.00 ATOM 311 CD1 LEU 39 -14.589 -0.858 7.301 1.00999.00 ATOM 312 CD2 LEU 39 -13.110 -1.087 9.305 1.00999.00 ATOM 313 O LEU 39 -10.222 2.712 8.265 1.00999.00 ATOM 314 C LEU 39 -11.442 2.867 8.201 1.00999.00 ATOM 315 N GLU 40 -12.008 3.866 7.533 1.00999.00 ATOM 316 CA GLU 40 -11.201 4.854 6.827 1.00999.00 ATOM 317 CB GLU 40 -12.101 5.756 5.976 1.00999.00 ATOM 318 CG GLU 40 -11.345 6.658 5.015 1.00999.00 ATOM 319 CD GLU 40 -10.849 7.929 5.676 1.00999.00 ATOM 320 OE1 GLU 40 -11.463 8.357 6.675 1.00999.00 ATOM 321 OE2 GLU 40 -9.846 8.496 5.193 1.00999.00 ATOM 322 O GLU 40 -9.224 6.075 7.434 1.00999.00 ATOM 323 C GLU 40 -10.347 5.698 7.768 1.00999.00 ATOM 324 N MET 41 -10.911 5.921 8.916 1.00999.00 ATOM 325 CA MET 41 -10.201 6.744 9.887 1.00999.00 ATOM 326 CB MET 41 -11.138 7.159 11.024 1.00999.00 ATOM 327 CG MET 41 -10.480 8.026 12.085 1.00999.00 ATOM 328 SD MET 41 -11.604 8.456 13.427 1.00999.00 ATOM 329 CE MET 41 -11.746 6.881 14.268 1.00999.00 ATOM 330 O MET 41 -7.889 6.551 10.515 1.00999.00 ATOM 331 C MET 41 -8.990 6.003 10.446 1.00999.00 ATOM 332 N THR 42 -9.200 4.753 10.843 1.00999.00 ATOM 333 CA THR 42 -8.126 3.934 11.395 1.00999.00 ATOM 334 CB THR 42 -8.719 2.532 11.801 1.00999.00 ATOM 335 CG2 THR 42 -7.630 1.633 12.382 1.00999.00 ATOM 336 OG1 THR 42 -9.760 2.705 12.774 1.00999.00 ATOM 337 O THR 42 -5.802 3.814 10.783 1.00999.00 ATOM 338 C THR 42 -6.975 3.805 10.400 1.00999.00 ATOM 339 N TYR 43 -7.311 3.697 9.120 1.00999.00 ATOM 340 CA TYR 43 -6.312 3.648 8.064 1.00999.00 ATOM 341 CB TYR 43 -6.974 3.343 6.720 1.00999.00 ATOM 342 CG TYR 43 -5.996 3.169 5.580 1.00999.00 ATOM 343 CD1 TYR 43 -5.273 1.991 5.435 1.00999.00 ATOM 344 CD2 TYR 43 -5.797 4.184 4.653 1.00999.00 ATOM 345 CE1 TYR 43 -4.378 1.824 4.397 1.00999.00 ATOM 346 CE2 TYR 43 -4.904 4.036 3.609 1.00999.00 ATOM 347 CZ TYR 43 -4.193 2.842 3.486 1.00999.00 ATOM 348 OH TYR 43 -3.301 2.678 2.451 1.00999.00 ATOM 349 O TYR 43 -4.279 4.889 7.782 1.00999.00 ATOM 350 C TYR 43 -5.492 4.935 7.982 1.00999.00 ATOM 351 N LEU 44 -6.151 6.073 8.146 1.00999.00 ATOM 352 CA LEU 44 -5.456 7.354 8.091 1.00999.00 ATOM 353 CB LEU 44 -6.471 8.497 8.157 1.00999.00 ATOM 354 CG LEU 44 -5.929 9.901 7.885 1.00999.00 ATOM 355 CD1 LEU 44 -7.060 10.856 7.534 1.00999.00 ATOM 356 CD2 LEU 44 -5.152 10.419 9.086 1.00999.00 ATOM 357 O LEU 44 -3.361 8.067 9.026 1.00999.00 ATOM 358 C LEU 44 -4.433 7.492 9.215 1.00999.00 ATOM 359 N LYS 45 -4.771 6.960 10.385 1.00999.00 ATOM 360 CA LYS 45 -3.882 7.025 11.538 1.00999.00 ATOM 361 CB LYS 45 -4.513 6.319 12.741 1.00999.00 ATOM 362 CG LYS 45 -3.660 6.352 13.998 1.00999.00 ATOM 363 CD LYS 45 -4.366 5.678 15.163 1.00999.00 ATOM 364 CE LYS 45 -3.499 5.681 16.411 1.00999.00 ATOM 365 NZ LYS 45 -4.180 5.024 17.561 1.00999.00 ATOM 366 O LYS 45 -1.481 6.980 11.519 1.00999.00 ATOM 367 C LYS 45 -2.526 6.404 11.218 1.00999.00 ATOM 368 N ALA 46 -2.546 5.217 10.602 1.00999.00 ATOM 369 CA ALA 46 -1.320 4.523 10.231 1.00999.00 ATOM 370 CB ALA 46 -1.640 3.147 9.667 1.00999.00 ATOM 371 O ALA 46 0.730 5.413 9.359 1.00999.00 ATOM 372 C ALA 46 -0.495 5.346 9.247 1.00999.00 ATOM 373 N VAL 47 -1.166 5.971 8.286 1.00999.00 ATOM 374 CA VAL 47 -0.481 6.782 7.301 1.00999.00 ATOM 375 CB VAL 47 -1.407 7.360 6.234 1.00999.00 ATOM 376 CG1 VAL 47 -0.641 8.374 5.327 1.00999.00 ATOM 377 CG2 VAL 47 -1.985 6.243 5.397 1.00999.00 ATOM 378 O VAL 47 1.439 8.176 7.691 1.00999.00 ATOM 379 C VAL 47 0.275 7.916 7.999 1.00999.00 ATOM 380 N GLU 48 -0.387 8.565 8.946 1.00999.00 ATOM 381 CA GLU 48 0.233 9.661 9.682 1.00999.00 ATOM 382 CB GLU 48 -0.793 10.464 10.485 1.00999.00 ATOM 383 CG GLU 48 -0.185 11.668 11.157 1.00999.00 ATOM 384 CD GLU 48 -1.192 12.628 11.720 1.00999.00 ATOM 385 OE1 GLU 48 -2.358 12.656 11.287 1.00999.00 ATOM 386 OE2 GLU 48 -0.820 13.336 12.653 1.00999.00 ATOM 387 O GLU 48 2.475 9.850 10.365 1.00999.00 ATOM 388 C GLU 48 1.424 9.198 10.460 1.00999.00 ATOM 389 N SER 49 1.319 8.122 11.227 1.00999.00 ATOM 390 CA SER 49 2.445 7.602 12.024 1.00999.00 ATOM 391 CB SER 49 2.084 6.402 12.872 1.00999.00 ATOM 392 OG SER 49 1.322 6.775 14.003 1.00999.00 ATOM 393 O SER 49 4.762 7.550 11.403 1.00999.00 ATOM 394 C SER 49 3.610 7.243 11.110 1.00999.00 ATOM 395 N THR 50 3.310 6.619 9.987 1.00999.00 ATOM 396 CA THR 50 4.340 6.291 8.995 1.00999.00 ATOM 397 CB THR 50 3.728 5.450 7.861 1.00999.00 ATOM 398 CG2 THR 50 4.764 5.051 6.836 1.00999.00 ATOM 399 OG1 THR 50 3.217 4.218 8.410 1.00999.00 ATOM 400 O THR 50 6.237 7.579 8.288 1.00999.00 ATOM 401 C THR 50 5.015 7.543 8.442 1.00999.00 ATOM 402 N ALA 51 4.233 8.492 8.102 1.00999.00 ATOM 403 CA ALA 51 4.778 9.733 7.557 1.00999.00 ATOM 404 CB ALA 51 3.654 10.682 7.175 1.00999.00 ATOM 405 O ALA 51 6.782 10.938 8.115 1.00999.00 ATOM 406 C ALA 51 5.750 10.409 8.529 1.00999.00 ATOM 407 N ASN 52 5.414 10.387 9.812 1.00999.00 ATOM 408 CA ASN 52 6.271 10.987 10.827 1.00999.00 ATOM 409 CB ASN 52 5.507 11.038 12.160 1.00999.00 ATOM 410 CG ASN 52 4.500 12.153 12.246 1.00999.00 ATOM 411 ND2 ASN 52 3.357 11.863 12.867 1.00999.00 ATOM 412 OD1 ASN 52 4.671 13.286 11.805 1.00999.00 ATOM 413 O ASN 52 8.622 10.935 11.202 1.00999.00 ATOM 414 C ASN 52 7.604 10.242 10.948 1.00999.00 ATOM 415 N ILE 53 7.603 8.936 10.797 1.00999.00 ATOM 416 CA ILE 53 8.838 8.137 10.828 1.00999.00 ATOM 417 CB ILE 53 8.495 6.637 10.753 1.00999.00 ATOM 418 CG1 ILE 53 7.791 6.129 12.032 1.00999.00 ATOM 419 CG2 ILE 53 9.724 5.792 10.423 1.00999.00 ATOM 420 CD1 ILE 53 8.720 5.941 13.219 1.00999.00 ATOM 421 O ILE 53 11.024 8.754 10.036 1.00999.00 ATOM 422 C ILE 53 9.821 8.649 9.775 1.00999.00 ATOM 423 N THR 54 9.323 9.017 8.601 1.00999.00 ATOM 424 CA THR 54 10.147 9.550 7.527 1.00999.00 ATOM 425 CB THR 54 9.477 9.640 6.113 1.00999.00 ATOM 426 CG2 THR 54 8.744 8.364 5.757 1.00999.00 ATOM 427 OG1 THR 54 8.558 10.744 6.110 1.00999.00 ATOM 428 O THR 54 11.646 11.377 7.117 1.00999.00 ATOM 429 C THR 54 10.732 10.931 7.833 1.00999.00 ATOM 430 N ILE 55 10.079 11.637 8.884 1.00999.00 ATOM 431 CA ILE 55 10.503 13.020 9.119 1.00999.00 ATOM 432 CB ILE 55 12.033 13.170 8.971 1.00999.00 ATOM 433 CG1 ILE 55 12.446 12.953 7.510 1.00999.00 ATOM 434 CG2 ILE 55 12.750 12.180 9.884 1.00999.00 ATOM 435 CD1 ILE 55 13.929 13.131 7.254 1.00999.00 ATOM 436 O ILE 55 9.284 13.523 7.115 1.00999.00 ATOM 437 C ILE 55 9.844 13.964 8.119 1.00999.00 ATOM 438 N SER 56 9.912 15.262 8.395 1.00999.00 ATOM 439 CA SER 56 9.319 16.255 7.508 1.00999.00 ATOM 440 CB SER 56 9.210 17.601 8.225 1.00999.00 ATOM 441 OG SER 56 10.492 18.145 8.489 1.00999.00 ATOM 442 O SER 56 9.656 17.086 5.282 1.00999.00 ATOM 443 C SER 56 10.096 16.396 6.203 1.00999.00 ATOM 444 N SER 57 11.250 15.741 6.125 1.00999.00 ATOM 445 CA SER 57 12.074 15.801 4.924 1.00999.00 ATOM 446 CB SER 57 12.964 17.045 4.867 1.00999.00 ATOM 447 OG SER 57 13.709 17.085 3.662 1.00999.00 ATOM 448 O SER 57 13.984 14.419 5.443 1.00999.00 ATOM 449 C SER 57 12.903 14.498 4.858 1.00999.00 ATOM 450 N CYS 58 12.393 13.496 4.149 1.00999.00 ATOM 451 CA CYS 58 13.096 12.226 4.020 1.00999.00 ATOM 452 CB CYS 58 12.090 11.228 3.446 1.00999.00 ATOM 453 SG CYS 58 11.606 11.554 1.735 1.00999.00 ATOM 454 O CYS 58 14.473 13.264 2.355 1.00999.00 ATOM 455 C CYS 58 14.328 12.317 3.129 1.00999.00 ATOM 456 N SER 59 15.213 11.331 3.236 1.00999.00 ATOM 457 CA SER 59 16.427 11.315 2.429 1.00999.00 ATOM 458 CB SER 59 17.631 11.174 3.361 1.00999.00 ATOM 459 OG SER 59 17.728 12.279 4.243 1.00999.00 ATOM 460 O SER 59 17.471 9.821 0.864 1.00999.00 ATOM 461 C SER 59 16.426 10.189 1.401 1.00999.00 ATOM 462 N SER 60 15.244 9.643 1.130 1.00999.00 ATOM 463 CA SER 60 15.106 8.557 0.165 1.00999.00 ATOM 464 CB SER 60 14.378 7.369 0.797 1.00999.00 ATOM 465 OG SER 60 14.152 6.344 -0.155 1.00999.00 ATOM 466 O SER 60 13.365 9.740 -0.987 1.00999.00 ATOM 467 C SER 60 14.364 9.026 -1.081 1.00999.00 ATOM 468 N LEU 61 14.857 8.621 -2.247 1.00999.00 ATOM 469 CA LEU 61 14.238 8.998 -3.510 1.00999.00 ATOM 470 CB LEU 61 15.071 8.489 -4.688 1.00999.00 ATOM 471 CG LEU 61 14.516 8.775 -6.085 1.00999.00 ATOM 472 CD1 LEU 61 14.412 10.274 -6.325 1.00999.00 ATOM 473 CD2 LEU 61 15.385 8.128 -7.152 1.00999.00 ATOM 474 O LEU 61 11.870 9.139 -3.869 1.00999.00 ATOM 475 C LEU 61 12.829 8.420 -3.588 1.00999.00 ATOM 476 N MET 62 12.707 7.120 -3.337 1.00999.00 ATOM 477 CA MET 62 11.390 6.445 -3.379 1.00999.00 ATOM 478 CB MET 62 11.593 4.909 -3.416 1.00999.00 ATOM 479 CG MET 62 12.311 4.485 -4.717 1.00999.00 ATOM 480 SD MET 62 12.261 2.737 -5.021 1.00999.00 ATOM 481 CE MET 62 13.272 2.061 -3.728 1.00999.00 ATOM 482 O MET 62 9.260 6.981 -2.413 1.00999.00 ATOM 483 C MET 62 10.479 6.914 -2.249 1.00999.00 ATOM 484 N LEU 63 11.071 7.241 -1.105 1.00999.00 ATOM 485 CA LEU 63 10.299 7.704 0.041 1.00999.00 ATOM 486 CB LEU 63 11.225 7.840 1.252 1.00999.00 ATOM 487 CG LEU 63 10.560 8.245 2.571 1.00999.00 ATOM 488 CD1 LEU 63 9.502 7.231 2.974 1.00999.00 ATOM 489 CD2 LEU 63 11.599 8.394 3.671 1.00999.00 ATOM 490 O LEU 63 8.440 9.212 0.207 1.00999.00 ATOM 491 C LEU 63 9.565 9.009 -0.248 1.00999.00 ATOM 492 N GLN 64 10.225 9.905 -0.974 1.00999.00 ATOM 493 CA GLN 64 9.653 11.210 -1.281 1.00999.00 ATOM 494 CB GLN 64 10.675 12.078 -2.018 1.00999.00 ATOM 495 CG GLN 64 10.211 13.503 -2.268 1.00999.00 ATOM 496 CD GLN 64 10.017 14.288 -0.984 1.00999.00 ATOM 497 OE1 GLN 64 10.931 14.393 -0.167 1.00999.00 ATOM 498 NE2 GLN 64 8.821 14.837 -0.803 1.00999.00 ATOM 499 O GLN 64 7.356 11.669 -1.798 1.00999.00 ATOM 500 C GLN 64 8.377 11.051 -2.102 1.00999.00 ATOM 501 N ASP 65 8.444 10.240 -3.152 1.00999.00 ATOM 502 CA ASP 65 7.291 10.031 -4.019 1.00999.00 ATOM 503 CB ASP 65 7.742 9.379 -5.328 1.00999.00 ATOM 504 CG ASP 65 8.582 10.310 -6.181 1.00999.00 ATOM 505 OD1 ASP 65 8.226 11.502 -6.287 1.00999.00 ATOM 506 OD2 ASP 65 9.596 9.846 -6.745 1.00999.00 ATOM 507 O ASP 65 5.023 9.423 -3.523 1.00999.00 ATOM 508 C ASP 65 6.217 9.181 -3.345 1.00999.00 ATOM 509 N LEU 66 6.645 8.188 -2.573 1.00999.00 ATOM 510 CA LEU 66 5.706 7.313 -1.878 1.00999.00 ATOM 511 CB LEU 66 6.500 6.159 -1.148 1.00999.00 ATOM 512 CG LEU 66 7.371 5.201 -2.001 1.00999.00 ATOM 513 CD1 LEU 66 8.008 4.208 -1.064 1.00999.00 ATOM 514 CD2 LEU 66 6.534 4.456 -3.079 1.00999.00 ATOM 515 O LEU 66 3.672 7.760 -0.680 1.00999.00 ATOM 516 C LEU 66 4.841 8.086 -0.887 1.00999.00 ATOM 517 N LEU 67 5.532 9.022 -0.244 1.00999.00 ATOM 518 CA LEU 67 4.785 9.775 0.757 1.00999.00 ATOM 519 CB LEU 67 5.724 10.681 1.557 1.00999.00 ATOM 520 CG LEU 67 6.728 9.977 2.473 1.00999.00 ATOM 521 CD1 LEU 67 7.692 10.982 3.086 1.00999.00 ATOM 522 CD2 LEU 67 6.008 9.201 3.564 1.00999.00 ATOM 523 O LEU 67 2.624 10.815 0.716 1.00999.00 ATOM 524 C LEU 67 3.676 10.601 0.114 1.00999.00 ATOM 525 N ARG 68 3.913 11.061 -1.110 1.00999.00 ATOM 526 CA ARG 68 2.921 11.859 -1.821 1.00999.00 ATOM 527 CB ARG 68 3.564 12.528 -3.038 1.00999.00 ATOM 528 CG ARG 68 2.630 13.450 -3.804 1.00999.00 ATOM 529 CD ARG 68 3.357 14.156 -4.937 1.00999.00 ATOM 530 NE ARG 68 3.845 13.215 -5.944 1.00999.00 ATOM 531 CZ ARG 68 5.124 12.899 -6.113 1.00999.00 ATOM 532 NH1 ARG 68 5.474 12.033 -7.054 1.00999.00 ATOM 533 NH2 ARG 68 6.051 13.449 -5.339 1.00999.00 ATOM 534 O ARG 68 0.589 11.344 -2.044 1.00999.00 ATOM 535 C ARG 68 1.748 10.991 -2.265 1.00999.00 ATOM 536 N GLU 69 2.050 9.852 -2.879 1.00999.00 ATOM 537 CA GLU 69 1.009 8.938 -3.331 1.00999.00 ATOM 538 CB GLU 69 1.602 7.896 -4.282 1.00999.00 ATOM 539 CG GLU 69 2.052 8.460 -5.620 1.00999.00 ATOM 540 CD GLU 69 0.905 9.046 -6.420 1.00999.00 ATOM 541 OE1 GLU 69 -0.110 8.342 -6.605 1.00999.00 ATOM 542 OE2 GLU 69 1.023 10.208 -6.861 1.00999.00 ATOM 543 O GLU 69 -0.926 8.214 -2.122 1.00999.00 ATOM 544 C GLU 69 0.300 8.307 -2.142 1.00999.00 ATOM 545 N LYS 70 1.065 7.875 -1.143 1.00999.00 ATOM 546 CA LYS 70 0.481 7.252 0.035 1.00999.00 ATOM 547 CB LYS 70 1.577 6.933 1.006 1.00999.00 ATOM 548 CG LYS 70 1.066 6.026 2.121 1.00999.00 ATOM 549 CD LYS 70 1.298 4.559 1.753 1.00999.00 ATOM 550 CE LYS 70 -0.006 3.927 1.294 1.00999.00 ATOM 551 NZ LYS 70 -0.134 2.508 1.706 1.00999.00 ATOM 552 O LYS 70 -1.543 7.872 1.150 1.00999.00 ATOM 553 C LYS 70 -0.418 8.231 0.785 1.00999.00 ATOM 554 N LEU 71 0.084 9.445 0.996 1.00999.00 ATOM 555 CA LEU 71 -0.710 10.452 1.711 1.00999.00 ATOM 556 CB LEU 71 0.149 11.686 1.994 1.00999.00 ATOM 557 CG LEU 71 1.272 11.510 3.018 1.00999.00 ATOM 558 CD1 LEU 71 2.154 12.748 3.067 1.00999.00 ATOM 559 CD2 LEU 71 0.702 11.210 4.396 1.00999.00 ATOM 560 O LEU 71 -3.049 10.980 1.451 1.00999.00 ATOM 561 C LEU 71 -1.948 10.857 0.903 1.00999.00 ATOM 562 N ARG 72 -1.756 10.944 -0.419 1.00999.00 ATOM 563 CA ARG 72 -2.887 11.290 -1.250 1.00999.00 ATOM 564 CB ARG 72 -2.419 11.569 -2.679 1.00999.00 ATOM 565 CG ARG 72 -3.527 12.005 -3.624 1.00999.00 ATOM 566 CD ARG 72 -2.984 12.314 -5.008 1.00999.00 ATOM 567 NE ARG 72 -2.426 11.129 -5.655 1.00999.00 ATOM 568 CZ ARG 72 -3.153 10.207 -6.277 1.00999.00 ATOM 569 NH1 ARG 72 -2.559 9.161 -6.837 1.00999.00 ATOM 570 NH2 ARG 72 -4.472 10.331 -6.336 1.00999.00 ATOM 571 O ARG 72 -5.134 10.456 -1.347 1.00999.00 ATOM 572 C ARG 72 -3.937 10.183 -1.257 1.00999.00 ATOM 573 N ALA 73 -3.486 8.937 -1.162 1.00999.00 ATOM 574 CA ALA 73 -4.401 7.802 -1.156 1.00999.00 ATOM 575 CB ALA 73 -3.613 6.500 -1.118 1.00999.00 ATOM 576 O ALA 73 -6.555 7.673 -0.110 1.00999.00 ATOM 577 C ALA 73 -5.347 7.865 0.036 1.00999.00 ATOM 578 N ILE 74 -4.799 8.136 1.216 1.00999.00 ATOM 579 CA ILE 74 -5.610 8.224 2.424 1.00999.00 ATOM 580 CB ILE 74 -4.742 8.257 3.695 1.00999.00 ATOM 581 CG1 ILE 74 -3.881 9.523 3.721 1.00999.00 ATOM 582 CG2 ILE 74 -3.899 6.996 3.798 1.00999.00 ATOM 583 CD1 ILE 74 -3.137 9.728 5.022 1.00999.00 ATOM 584 O ILE 74 -7.662 9.412 2.807 1.00999.00 ATOM 585 C ILE 74 -6.509 9.456 2.378 1.00999.00 ATOM 586 N LEU 75 -5.955 10.594 1.768 1.00999.00 ATOM 587 CA LEU 75 -6.744 11.817 1.702 1.00999.00 ATOM 588 CB LEU 75 -5.875 12.992 1.244 1.00999.00 ATOM 589 CG LEU 75 -6.578 14.345 1.115 1.00999.00 ATOM 590 CD1 LEU 75 -7.155 14.781 2.453 1.00999.00 ATOM 591 CD2 LEU 75 -5.619 15.399 0.582 1.00999.00 ATOM 592 O LEU 75 -9.064 11.991 1.117 1.00999.00 ATOM 593 C LEU 75 -7.937 11.645 0.766 1.00999.00 ATOM 594 N ASP 76 -7.688 11.119 -0.427 1.00999.00 ATOM 595 CA ASP 76 -8.768 10.908 -1.387 1.00999.00 ATOM 596 CB ASP 76 -8.191 10.380 -2.703 1.00999.00 ATOM 597 CG ASP 76 -7.414 11.434 -3.463 1.00999.00 ATOM 598 OD1 ASP 76 -7.540 12.628 -3.123 1.00999.00 ATOM 599 OD2 ASP 76 -6.676 11.066 -4.402 1.00999.00 ATOM 600 O ASP 76 -11.013 10.149 -1.007 1.00999.00 ATOM 601 C ASP 76 -9.811 9.940 -0.836 1.00999.00 ATOM 602 N ASN 77 -9.350 8.884 -0.176 1.00999.00 ATOM 603 CA ASN 77 -10.257 7.896 0.396 1.00999.00 ATOM 604 CB ASN 77 -9.487 6.734 1.058 1.00999.00 ATOM 605 CG ASN 77 -8.748 5.895 0.057 1.00999.00 ATOM 606 ND2 ASN 77 -7.765 5.135 0.550 1.00999.00 ATOM 607 OD1 ASN 77 -9.023 5.904 -1.133 1.00999.00 ATOM 608 O ASN 77 -12.401 8.258 1.412 1.00999.00 ATOM 609 C ASN 77 -11.205 8.538 1.401 1.00999.00 ATOM 610 N GLU 78 -10.665 9.418 2.246 1.00999.00 ATOM 611 CA GLU 78 -11.473 10.068 3.271 1.00999.00 ATOM 612 CB GLU 78 -10.578 10.889 4.202 1.00999.00 ATOM 613 CG GLU 78 -11.325 11.573 5.336 1.00999.00 ATOM 614 CD GLU 78 -10.400 12.324 6.274 1.00999.00 ATOM 615 OE1 GLU 78 -9.174 12.316 6.031 1.00999.00 ATOM 616 OE2 GLU 78 -10.900 12.922 7.250 1.00999.00 ATOM 617 O GLU 78 -13.696 10.910 2.959 1.00999.00 ATOM 618 C GLU 78 -12.530 10.967 2.618 1.00999.00 ATOM 619 N ILE 79 -12.099 11.771 1.665 1.00999.00 ATOM 620 CA ILE 79 -13.035 12.662 0.970 1.00999.00 ATOM 621 CB ILE 79 -12.279 13.634 0.045 1.00999.00 ATOM 622 CG1 ILE 79 -11.425 14.598 0.870 1.00999.00 ATOM 623 CG2 ILE 79 -13.253 14.373 -0.861 1.00999.00 ATOM 624 CD1 ILE 79 -10.449 15.408 0.044 1.00999.00 ATOM 625 O ILE 79 -15.253 12.211 0.175 1.00999.00 ATOM 626 C ILE 79 -14.072 11.863 0.189 1.00999.00 ATOM 627 N GLU 80 -13.629 10.791 -0.463 1.00999.00 ATOM 628 CA GLU 80 -14.533 9.952 -1.240 1.00999.00 ATOM 629 CB GLU 80 -13.748 8.910 -2.038 1.00999.00 ATOM 630 CG GLU 80 -12.930 9.491 -3.180 1.00999.00 ATOM 631 CD GLU 80 -13.793 10.129 -4.250 1.00999.00 ATOM 632 OE1 GLU 80 -14.730 9.462 -4.735 1.00999.00 ATOM 633 OE2 GLU 80 -13.531 11.297 -4.607 1.00999.00 ATOM 634 O GLU 80 -16.711 9.185 -0.616 1.00999.00 ATOM 635 C GLU 80 -15.516 9.244 -0.328 1.00999.00 ATOM 636 N ILE 81 -15.034 8.683 0.782 1.00999.00 ATOM 637 CA ILE 81 -15.898 7.951 1.704 1.00999.00 ATOM 638 CB ILE 81 -15.159 7.267 2.847 1.00999.00 ATOM 639 CG1 ILE 81 -14.303 6.114 2.318 1.00999.00 ATOM 640 CG2 ILE 81 -16.150 6.780 3.903 1.00999.00 ATOM 641 CD1 ILE 81 -15.099 5.015 1.638 1.00999.00 ATOM 642 O ILE 81 -18.135 8.587 2.303 1.00999.00 ATOM 643 C ILE 81 -16.940 8.888 2.308 1.00999.00 ATOM 644 N LYS 82 -16.501 10.026 2.827 1.00999.00 ATOM 645 CA LYS 82 -17.421 10.990 3.432 1.00999.00 ATOM 646 CB LYS 82 -16.648 12.186 3.992 1.00999.00 ATOM 647 CG LYS 82 -17.537 13.259 4.620 1.00999.00 ATOM 648 CD LYS 82 -16.696 14.374 5.214 1.00999.00 ATOM 649 CE LYS 82 -17.553 15.444 5.881 1.00999.00 ATOM 650 NZ LYS 82 -18.383 16.223 4.916 1.00999.00 ATOM 651 O LYS 82 -19.640 11.600 2.742 1.00999.00 ATOM 652 C LYS 82 -18.455 11.479 2.423 1.00999.00 ATOM 653 N ARG 83 -17.991 11.825 1.247 1.00999.00 ATOM 654 CA ARG 83 -18.900 12.273 0.196 1.00999.00 ATOM 655 CB ARG 83 -18.111 12.660 -1.056 1.00999.00 ATOM 656 CG ARG 83 -17.254 13.905 -0.871 1.00999.00 ATOM 657 CD ARG 83 -18.103 15.170 -0.821 1.00999.00 ATOM 658 NE ARG 83 -18.622 15.519 -2.140 1.00999.00 ATOM 659 CZ ARG 83 -19.356 16.597 -2.398 1.00999.00 ATOM 660 NH1 ARG 83 -19.666 17.439 -1.424 1.00999.00 ATOM 661 NH2 ARG 83 -19.765 16.835 -3.636 1.00999.00 ATOM 662 O ARG 83 -21.109 11.490 -0.298 1.00999.00 ATOM 663 C ARG 83 -19.921 11.201 -0.144 1.00999.00 ATOM 664 N LEU 84 -19.457 9.962 -0.278 1.00999.00 ATOM 665 CA LEU 84 -20.346 8.856 -0.616 1.00999.00 ATOM 666 CB LEU 84 -19.453 7.626 -0.974 1.00999.00 ATOM 667 CG LEU 84 -18.687 7.591 -2.283 1.00999.00 ATOM 668 CD1 LEU 84 -17.671 6.437 -2.239 1.00999.00 ATOM 669 CD2 LEU 84 -19.585 7.393 -3.503 1.00999.00 ATOM 670 O LEU 84 -22.560 8.293 0.293 1.00999.00 ATOM 671 C LEU 84 -21.381 8.602 0.480 1.00999.00 ATOM 672 N LEU 85 -21.256 4.054 -2.839 1.00999.00 ATOM 673 CA LEU 85 -20.220 4.149 -1.815 1.00999.00 ATOM 674 CB LEU 85 -20.879 4.499 -0.455 1.00999.00 ATOM 675 CG LEU 85 -20.048 4.260 0.811 1.00999.00 ATOM 676 CD1 LEU 85 -18.804 5.092 0.775 1.00999.00 ATOM 677 CD2 LEU 85 -20.886 4.590 2.008 1.00999.00 ATOM 678 O LEU 85 -18.203 2.863 -1.648 1.00999.00 ATOM 679 C LEU 85 -19.430 2.846 -1.740 1.00999.00 ATOM 680 N GLN 86 -20.138 1.721 -1.741 1.00999.00 ATOM 681 CA GLN 86 -19.489 0.420 -1.631 1.00999.00 ATOM 682 CB GLN 86 -20.385 -0.703 -1.986 1.00999.00 ATOM 683 CG GLN 86 -21.594 -0.857 -1.059 1.00999.00 ATOM 684 CD GLN 86 -22.598 0.282 -1.174 1.00999.00 ATOM 685 OE1 GLN 86 -22.793 0.853 -2.249 1.00999.00 ATOM 686 NE2 GLN 86 -23.258 0.601 -0.064 1.00999.00 ATOM 687 O GLN 86 -17.384 -0.262 -2.557 1.00999.00 ATOM 688 C GLN 86 -18.507 0.194 -2.776 1.00999.00 ATOM 689 N LEU 87 -18.918 0.544 -3.990 1.00999.00 ATOM 690 CA LEU 87 -18.047 0.407 -5.151 1.00999.00 ATOM 691 CB LEU 87 -18.864 0.651 -6.421 1.00999.00 ATOM 692 CG LEU 87 -19.938 -0.389 -6.746 1.00999.00 ATOM 693 CD1 LEU 87 -20.783 0.061 -7.927 1.00999.00 ATOM 694 CD2 LEU 87 -19.306 -1.744 -7.035 1.00999.00 ATOM 695 O LEU 87 -15.720 0.955 -5.384 1.00999.00 ATOM 696 C LEU 87 -16.844 1.345 -5.066 1.00999.00 ATOM 697 N ARG 88 -17.090 2.570 -4.626 1.00999.00 ATOM 698 CA ARG 88 -16.018 3.557 -4.493 1.00999.00 ATOM 699 CB ARG 88 -16.591 4.920 -4.102 1.00999.00 ATOM 700 CG ARG 88 -17.481 5.547 -5.162 1.00999.00 ATOM 701 CD ARG 88 -16.666 6.028 -6.353 1.00999.00 ATOM 702 NE ARG 88 -17.505 6.647 -7.377 1.00999.00 ATOM 703 CZ ARG 88 -17.837 7.934 -7.391 1.00999.00 ATOM 704 NH1 ARG 88 -18.604 8.409 -8.362 1.00999.00 ATOM 705 NH2 ARG 88 -17.400 8.743 -6.435 1.00999.00 ATOM 706 O ARG 88 -13.766 3.191 -3.746 1.00999.00 ATOM 707 C ARG 88 -14.967 3.094 -3.489 1.00999.00 ATOM 708 N LEU 89 -15.423 2.623 -2.334 1.00999.00 ATOM 709 CA LEU 89 -14.522 2.184 -1.276 1.00999.00 ATOM 710 CB LEU 89 -15.379 1.948 0.022 1.00999.00 ATOM 711 CG LEU 89 -14.614 1.480 1.259 1.00999.00 ATOM 712 CD1 LEU 89 -13.520 2.468 1.634 1.00999.00 ATOM 713 CD2 LEU 89 -15.591 1.294 2.397 1.00999.00 ATOM 714 O LEU 89 -12.510 0.876 -1.390 1.00999.00 ATOM 715 C LEU 89 -13.697 0.974 -1.704 1.00999.00 ATOM 716 N ASP 90 -14.327 0.047 -2.393 1.00999.00 ATOM 717 CA ASP 90 -13.651 -1.142 -2.900 1.00999.00 ATOM 718 CB ASP 90 -14.650 -2.073 -3.591 1.00999.00 ATOM 719 CG ASP 90 -15.579 -2.759 -2.610 1.00999.00 ATOM 720 OD1 ASP 90 -15.289 -2.732 -1.396 1.00999.00 ATOM 721 OD2 ASP 90 -16.599 -3.326 -3.056 1.00999.00 ATOM 722 O ASP 90 -11.402 -1.215 -3.731 1.00999.00 ATOM 723 C ASP 90 -12.534 -0.750 -3.862 1.00999.00 ATOM 724 N ARG 91 -12.850 0.120 -4.816 1.00999.00 ATOM 725 CA ARG 91 -11.856 0.582 -5.777 1.00999.00 ATOM 726 CB ARG 91 -12.507 1.512 -6.801 1.00999.00 ATOM 727 CG ARG 91 -11.557 2.017 -7.875 1.00999.00 ATOM 728 CD ARG 91 -12.239 3.020 -8.790 1.00999.00 ATOM 729 NE ARG 91 -12.645 4.227 -8.074 1.00999.00 ATOM 730 CZ ARG 91 -11.814 5.204 -7.726 1.00999.00 ATOM 731 NH1 ARG 91 -12.275 6.264 -7.076 1.00999.00 ATOM 732 NH2 ARG 91 -10.527 5.118 -8.029 1.00999.00 ATOM 733 O ARG 91 -9.552 1.053 -5.299 1.00999.00 ATOM 734 C ARG 91 -10.728 1.321 -5.059 1.00999.00 ATOM 735 N LEU 92 -11.078 2.222 -4.161 1.00999.00 ATOM 736 CA LEU 92 -10.060 2.965 -3.421 1.00999.00 ATOM 737 CB LEU 92 -10.735 4.019 -2.542 1.00999.00 ATOM 738 CG LEU 92 -11.408 5.183 -3.275 1.00999.00 ATOM 739 CD1 LEU 92 -12.193 6.049 -2.303 1.00999.00 ATOM 740 CD2 LEU 92 -10.376 6.020 -4.015 1.00999.00 ATOM 741 O LEU 92 -7.981 2.128 -2.566 1.00999.00 ATOM 742 C LEU 92 -9.209 2.029 -2.571 1.00999.00 ATOM 743 N SER 93 -9.862 1.133 -1.837 1.00999.00 ATOM 744 CA SER 93 -9.150 0.199 -0.973 1.00999.00 ATOM 745 CB SER 93 -10.228 -0.574 -0.134 1.00999.00 ATOM 746 OG SER 93 -9.615 -1.476 0.770 1.00999.00 ATOM 747 O SER 93 -7.076 -0.941 -1.366 1.00999.00 ATOM 748 C SER 93 -8.213 -0.701 -1.773 1.00999.00 ATOM 749 N ASP 94 -8.696 -1.206 -2.904 1.00999.00 ATOM 750 CA ASP 94 -7.891 -2.084 -3.742 1.00999.00 ATOM 751 CB ASP 94 -8.748 -2.660 -4.871 1.00999.00 ATOM 752 CG ASP 94 -9.763 -3.669 -4.374 1.00999.00 ATOM 753 OD1 ASP 94 -9.631 -4.126 -3.219 1.00999.00 ATOM 754 OD2 ASP 94 -10.693 -4.004 -5.139 1.00999.00 ATOM 755 O ASP 94 -5.577 -1.949 -4.363 1.00999.00 ATOM 756 C ASP 94 -6.660 -1.369 -4.292 1.00999.00 ATOM 757 N LEU 95 -6.829 -0.108 -4.678 1.00999.00 ATOM 758 CA LEU 95 -5.722 0.671 -5.216 1.00999.00 ATOM 759 CB LEU 95 -6.234 1.998 -5.778 1.00999.00 ATOM 760 CG LEU 95 -5.180 2.933 -6.379 1.00999.00 ATOM 761 CD1 LEU 95 -4.469 2.261 -7.543 1.00999.00 ATOM 762 CD2 LEU 95 -5.814 4.240 -6.827 1.00999.00 ATOM 763 O LEU 95 -3.463 0.737 -4.404 1.00999.00 ATOM 764 C LEU 95 -4.655 0.914 -4.152 1.00999.00 ATOM 765 N VAL 96 -5.096 1.333 -2.964 1.00999.00 ATOM 766 CA VAL 96 -4.168 1.596 -1.870 1.00999.00 ATOM 767 CB VAL 96 -4.875 2.203 -0.645 1.00999.00 ATOM 768 CG1 VAL 96 -5.534 3.524 -1.010 1.00999.00 ATOM 769 CG2 VAL 96 -5.901 1.230 -0.085 1.00999.00 ATOM 770 O VAL 96 -2.250 0.375 -1.097 1.00999.00 ATOM 771 C VAL 96 -3.425 0.328 -1.461 1.00999.00 ATOM 772 N GLY 97 -4.118 -0.804 -1.526 1.00999.00 ATOM 773 CA GLY 97 -3.523 -2.086 -1.167 1.00999.00 ATOM 774 O GLY 97 -1.326 -2.751 -1.799 1.00999.00 ATOM 775 C GLY 97 -2.443 -2.417 -2.168 1.00999.00 ATOM 776 N GLN 98 -2.749 -2.277 -3.457 1.00999.00 ATOM 777 CA GLN 98 -1.805 -2.584 -4.523 1.00999.00 ATOM 778 CB GLN 98 -2.520 -2.603 -5.875 1.00999.00 ATOM 779 CG GLN 98 -3.550 -3.713 -6.016 1.00999.00 ATOM 780 CD GLN 98 -2.936 -5.095 -5.921 1.00999.00 ATOM 781 OE1 GLN 98 -1.977 -5.407 -6.627 1.00999.00 ATOM 782 NE2 GLN 98 -3.487 -5.927 -5.046 1.00999.00 ATOM 783 O GLN 98 0.499 -1.979 -4.813 1.00999.00 ATOM 784 C GLN 98 -0.641 -1.599 -4.544 1.00999.00 ATOM 785 N SER 99 -0.980 -0.436 -4.046 1.00999.00 ATOM 786 CA SER 99 0.066 0.580 -4.070 1.00999.00 ATOM 787 CB SER 99 -0.558 1.962 -3.859 1.00999.00 ATOM 788 OG SER 99 -1.091 2.086 -2.552 1.00999.00 ATOM 789 O SER 99 2.286 0.739 -3.171 1.00999.00 ATOM 790 C SER 99 1.139 0.324 -3.016 1.00999.00 ATOM 791 N THR 100 0.465 -0.299 -1.806 1.00999.00 ATOM 792 CA THR 100 1.437 -0.572 -0.753 1.00999.00 ATOM 793 CB THR 100 0.745 -0.990 0.558 1.00999.00 ATOM 794 CG2 THR 100 1.778 -1.289 1.633 1.00999.00 ATOM 795 OG1 THR 100 -0.099 0.074 1.017 1.00999.00 ATOM 796 O THR 100 3.582 -1.644 -0.774 1.00999.00 ATOM 797 C THR 100 2.418 -1.663 -1.173 1.00999.00 ATOM 798 N LYS 101 1.945 -2.610 -1.977 1.00999.00 ATOM 799 CA LYS 101 2.795 -3.699 -2.442 1.00999.00 ATOM 800 CB LYS 101 1.992 -4.651 -3.328 1.00999.00 ATOM 801 CG LYS 101 0.966 -5.484 -2.575 1.00999.00 ATOM 802 CD LYS 101 0.192 -6.390 -3.517 1.00999.00 ATOM 803 CE LYS 101 -0.844 -7.212 -2.766 1.00999.00 ATOM 804 NZ LYS 101 -1.639 -8.075 -3.681 1.00999.00 ATOM 805 O LYS 101 5.125 -3.643 -3.012 1.00999.00 ATOM 806 C LYS 101 4.009 -3.155 -3.190 1.00999.00 ATOM 807 N GLN 102 3.789 -2.145 -4.024 1.00999.00 ATOM 808 CA GLN 102 4.877 -1.546 -4.788 1.00999.00 ATOM 809 CB GLN 102 4.322 -0.619 -5.873 1.00999.00 ATOM 810 CG GLN 102 5.379 -0.065 -6.814 1.00999.00 ATOM 811 CD GLN 102 6.062 -1.148 -7.626 1.00999.00 ATOM 812 OE1 GLN 102 5.403 -1.979 -8.251 1.00999.00 ATOM 813 NE2 GLN 102 7.390 -1.140 -7.619 1.00999.00 ATOM 814 O GLN 102 7.050 -0.883 -4.053 1.00999.00 ATOM 815 C GLN 102 5.839 -0.847 -3.856 1.00999.00 ATOM 816 N GLN 103 5.310 -0.210 -2.792 1.00999.00 ATOM 817 CA GLN 103 6.132 0.504 -1.841 1.00999.00 ATOM 818 CB GLN 103 5.246 1.366 -0.939 1.00999.00 ATOM 819 CG GLN 103 4.557 2.514 -1.662 1.00999.00 ATOM 820 CD GLN 103 3.641 3.307 -0.752 1.00999.00 ATOM 821 OE1 GLN 103 3.138 2.788 0.245 1.00999.00 ATOM 822 NE2 GLN 103 3.421 4.571 -1.094 1.00999.00 ATOM 823 O GLN 103 8.143 -0.209 -0.752 1.00999.00 ATOM 824 C GLN 103 6.968 -0.464 -1.009 1.00999.00 ATOM 825 N ALA 104 6.358 -1.562 -0.585 1.00999.00 ATOM 826 CA ALA 104 7.069 -2.557 0.214 1.00999.00 ATOM 827 CB ALA 104 6.081 -3.568 0.776 1.00999.00 ATOM 828 O ALA 104 9.225 -3.559 -0.094 1.00999.00 ATOM 829 C ALA 104 8.146 -3.258 -0.604 1.00999.00 ATOM 830 N VAL 105 7.852 -3.518 -1.874 1.00999.00 ATOM 831 CA VAL 105 8.809 -4.183 -2.750 1.00999.00 ATOM 832 CB VAL 105 8.057 -4.778 -3.983 1.00999.00 ATOM 833 CG1 VAL 105 8.987 -5.320 -5.058 1.00999.00 ATOM 834 CG2 VAL 105 7.120 -5.895 -3.516 1.00999.00 ATOM 835 O VAL 105 11.116 -3.796 -3.283 1.00999.00 ATOM 836 C VAL 105 10.005 -3.300 -3.086 1.00999.00 ATOM 837 N ASN 106 9.692 -2.011 -3.264 1.00999.00 ATOM 838 CA ASN 106 10.745 -1.062 -3.595 1.00999.00 ATOM 839 CB ASN 106 10.139 0.315 -3.881 1.00999.00 ATOM 840 CG ASN 106 9.409 0.365 -5.208 1.00999.00 ATOM 841 ND2 ASN 106 8.516 1.338 -5.354 1.00999.00 ATOM 842 OD1 ASN 106 9.645 -0.460 -6.090 1.00999.00 ATOM 843 O ASN 106 12.984 -0.910 -2.750 1.00999.00 ATOM 844 C ASN 106 11.785 -0.984 -2.483 1.00999.00 ATOM 845 N ASN 107 11.323 -1.004 -1.237 1.00999.00 ATOM 846 CA ASN 107 12.227 -0.938 -0.095 1.00999.00 ATOM 847 CB ASN 107 11.437 -0.737 1.199 1.00999.00 ATOM 848 CG ASN 107 10.884 0.667 1.332 1.00999.00 ATOM 849 ND2 ASN 107 9.864 0.824 2.167 1.00999.00 ATOM 850 OD1 ASN 107 11.368 1.599 0.690 1.00999.00 ATOM 851 O ASN 107 14.276 -2.132 0.273 1.00999.00 ATOM 852 C ASN 107 13.082 -2.199 -0.021 1.00999.00 ATOM 853 N THR 108 12.469 -3.349 -0.289 1.00999.00 ATOM 854 CA THR 108 13.189 -4.614 -0.250 1.00999.00 ATOM 855 CB THR 108 12.228 -5.811 -0.377 1.00999.00 ATOM 856 CG2 THR 108 13.002 -7.120 -0.379 1.00999.00 ATOM 857 OG1 THR 108 11.318 -5.817 0.730 1.00999.00 ATOM 858 O THR 108 15.410 -4.912 -1.111 1.00999.00 ATOM 859 C THR 108 14.233 -4.644 -1.359 1.00999.00 ATOM 860 N TYR 109 13.797 -4.370 -2.585 1.00999.00 ATOM 861 CA TYR 109 14.696 -4.367 -3.732 1.00999.00 ATOM 862 CB TYR 109 13.912 -4.127 -5.025 1.00999.00 ATOM 863 CG TYR 109 14.757 -4.190 -6.275 1.00999.00 ATOM 864 CD1 TYR 109 15.146 -5.411 -6.811 1.00999.00 ATOM 865 CD2 TYR 109 15.165 -3.028 -6.917 1.00999.00 ATOM 866 CE1 TYR 109 15.920 -5.478 -7.954 1.00999.00 ATOM 867 CE2 TYR 109 15.939 -3.075 -8.062 1.00999.00 ATOM 868 CZ TYR 109 16.314 -4.314 -8.578 1.00999.00 ATOM 869 OH TYR 109 17.084 -4.379 -9.717 1.00999.00 ATOM 870 O TYR 109 16.917 -3.514 -4.063 1.00999.00 ATOM 871 C TYR 109 15.799 -3.322 -3.585 1.00999.00 ATOM 872 N GLY 110 15.476 -2.218 -2.918 1.00999.00 ATOM 873 CA GLY 110 16.439 -1.144 -2.708 1.00999.00 ATOM 874 O GLY 110 17.469 -2.543 -1.047 1.00999.00 ATOM 875 C GLY 110 17.609 -1.621 -1.851 1.00999.00 ATOM 876 N GLN 111 18.761 -0.909 -2.296 1.00999.00 ATOM 877 CA GLN 111 19.965 -1.260 -1.554 1.00999.00 ATOM 878 CB GLN 111 21.030 -1.824 -2.495 1.00999.00 ATOM 879 CG GLN 111 20.612 -3.099 -3.212 1.00999.00 ATOM 880 CD GLN 111 20.340 -4.243 -2.254 1.00999.00 ATOM 881 OE1 GLN 111 21.187 -4.589 -1.431 1.00999.00 ATOM 882 NE2 GLN 111 19.156 -4.833 -2.363 1.00999.00 ATOM 883 O GLN 111 21.018 -0.169 0.305 1.00999.00 ATOM 884 C GLN 111 20.523 -0.048 -0.816 1.00999.00 ATOM 885 N PHE 112 20.413 1.126 -1.432 1.00999.00 ATOM 886 CA PHE 112 20.877 2.356 -0.803 1.00999.00 ATOM 887 CB PHE 112 20.739 3.515 -1.793 1.00999.00 ATOM 888 CG PHE 112 21.768 3.502 -2.888 1.00999.00 ATOM 889 CD1 PHE 112 21.416 3.163 -4.183 1.00999.00 ATOM 890 CD2 PHE 112 23.086 3.828 -2.623 1.00999.00 ATOM 891 CE1 PHE 112 22.361 3.150 -5.190 1.00999.00 ATOM 892 CE2 PHE 112 24.031 3.816 -3.631 1.00999.00 ATOM 893 CZ PHE 112 23.674 3.479 -4.909 1.00999.00 ATOM 894 O PHE 112 20.604 3.284 1.396 1.00999.00 ATOM 895 C PHE 112 20.092 2.658 0.470 1.00999.00 ATOM 896 N PRO 113 18.500 2.022 0.265 1.00999.00 ATOM 897 CA PRO 113 17.670 2.203 1.451 1.00999.00 ATOM 898 CB PRO 113 16.282 1.738 1.004 1.00999.00 ATOM 899 CG PRO 113 16.288 1.909 -0.476 1.00999.00 ATOM 900 CD PRO 113 17.685 1.588 -0.928 1.00999.00 ATOM 901 O PRO 113 18.102 1.791 3.737 1.00999.00 ATOM 902 C PRO 113 18.184 1.359 2.603 1.00999.00 ATOM 903 N ASP 114 18.817 0.213 2.256 1.00999.00 ATOM 904 CA ASP 114 19.350 -0.650 3.323 1.00999.00 ATOM 905 CB ASP 114 19.964 -1.895 2.681 1.00999.00 ATOM 906 CG ASP 114 18.917 -2.837 2.118 1.00999.00 ATOM 907 OD1 ASP 114 17.727 -2.674 2.460 1.00999.00 ATOM 908 OD2 ASP 114 19.288 -3.738 1.337 1.00999.00 ATOM 909 O ASP 114 20.451 0.031 5.341 1.00999.00 ATOM 910 C ASP 114 20.433 0.087 4.123 1.00999.00 ATOM 911 N HIS 115 21.609 0.934 3.503 1.00999.00 ATOM 912 CA HIS 115 22.660 1.698 4.193 1.00999.00 ATOM 913 CB HIS 115 23.674 2.288 3.212 1.00999.00 ATOM 914 CG HIS 115 24.538 1.263 2.547 1.00999.00 ATOM 915 CD2 HIS 115 24.656 0.717 1.202 1.00999.00 ATOM 916 ND1 HIS 115 25.517 0.564 3.219 1.00999.00 ATOM 917 CE1 HIS 115 26.121 -0.279 2.363 1.00999.00 ATOM 918 NE2 HIS 115 25.609 -0.193 1.151 1.00999.00 ATOM 919 O HIS 115 22.529 3.091 6.164 1.00999.00 ATOM 920 C HIS 115 22.044 2.788 5.072 1.00999.00 ATOM 921 N ALA 116 20.920 3.363 4.579 1.00999.00 ATOM 922 CA ALA 116 20.225 4.382 5.346 1.00999.00 ATOM 923 CB ALA 116 19.270 5.127 4.425 1.00999.00 ATOM 924 O ALA 116 19.510 4.365 7.640 1.00999.00 ATOM 925 C ALA 116 19.485 3.797 6.547 1.00999.00 ATOM 926 N LEU 117 18.814 2.667 6.337 1.00999.00 ATOM 927 CA LEU 117 18.075 2.029 7.423 1.00999.00 ATOM 928 CB LEU 117 17.263 0.849 6.966 1.00999.00 ATOM 929 CG LEU 117 16.296 1.089 5.813 1.00999.00 ATOM 930 CD1 LEU 117 15.686 -0.223 5.339 1.00999.00 ATOM 931 CD2 LEU 117 15.180 2.047 6.209 1.00999.00 ATOM 932 O LEU 117 18.607 1.571 9.720 1.00999.00 ATOM 933 C LEU 117 18.975 1.524 8.547 1.00999.00 ATOM 934 N LEU 118 20.228 1.154 8.054 1.00999.00 ATOM 935 CA LEU 118 21.143 0.591 9.038 1.00999.00 ATOM 936 CB LEU 118 22.240 -0.222 8.345 1.00999.00 ATOM 937 CG LEU 118 21.793 -1.513 7.656 1.00999.00 ATOM 938 CD1 LEU 118 22.945 -2.136 6.884 1.00999.00 ATOM 939 CD2 LEU 118 21.239 -2.501 8.672 1.00999.00 ATOM 940 O LEU 118 22.039 1.481 11.080 1.00999.00 ATOM 941 C LEU 118 21.768 1.686 9.897 1.00999.00 ATOM 942 N LEU 119 21.992 2.850 9.294 1.00999.00 ATOM 943 CA LEU 119 22.583 3.976 10.005 1.00999.00 ATOM 944 CB LEU 119 22.900 5.116 9.034 1.00999.00 ATOM 945 CG LEU 119 23.562 6.356 9.638 1.00999.00 ATOM 946 CD1 LEU 119 24.886 5.993 10.292 1.00999.00 ATOM 947 CD2 LEU 119 23.772 7.424 8.575 1.00999.00 ATOM 948 O LEU 119 22.106 4.790 12.212 1.00999.00 ATOM 949 C LEU 119 21.655 4.440 11.122 1.00999.00 ATOM 950 N GLY 120 20.286 4.433 10.837 1.00999.00 ATOM 951 CA GLY 120 19.293 4.872 11.807 1.00999.00 ATOM 952 O GLY 120 19.214 4.404 14.151 1.00999.00 ATOM 953 C GLY 120 19.272 3.951 13.023 1.00999.00 ATOM 954 N GLU 121 19.268 2.657 12.784 1.00999.00 ATOM 955 CA GLU 121 19.283 1.685 13.882 1.00999.00 ATOM 956 CB GLU 121 19.071 0.270 13.341 1.00999.00 ATOM 957 CG GLU 121 17.667 0.009 12.820 1.00999.00 ATOM 958 CD GLU 121 17.517 -1.375 12.220 1.00999.00 ATOM 959 OE1 GLU 121 18.546 -2.060 12.041 1.00999.00 ATOM 960 OE2 GLU 121 16.370 -1.775 11.927 1.00999.00 ATOM 961 O GLU 121 20.603 1.823 15.882 1.00999.00 ATOM 962 C GLU 121 20.597 1.761 14.651 1.00999.00 ATOM 963 N THR 122 21.891 2.039 13.982 1.00999.00 ATOM 964 CA THR 122 23.144 2.113 14.723 1.00999.00 ATOM 965 CB THR 122 24.359 1.920 13.797 1.00999.00 ATOM 966 CG2 THR 122 24.299 0.562 13.115 1.00999.00 ATOM 967 OG1 THR 122 24.362 2.939 12.789 1.00999.00 ATOM 968 O THR 122 23.900 3.534 16.504 1.00999.00 ATOM 969 C THR 122 23.293 3.454 15.436 1.00999.00 ATOM 970 N GLN 123 22.702 4.495 14.860 1.00999.00 ATOM 971 CA GLN 123 22.735 5.823 15.462 1.00999.00 ATOM 972 CB GLN 123 22.201 6.871 14.485 1.00999.00 ATOM 973 CG GLN 123 22.246 8.294 15.017 1.00999.00 ATOM 974 CD GLN 123 23.661 8.792 15.233 1.00999.00 ATOM 975 OE1 GLN 123 24.490 8.750 14.323 1.00999.00 ATOM 976 NE2 GLN 123 23.942 9.262 16.443 1.00999.00 ATOM 977 O GLN 123 20.986 5.043 16.914 1.00999.00 ATOM 978 C GLN 123 21.916 5.834 16.750 1.00999.00 TER END