PFRMAT TS TARGET T0467 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 T0467 model 1 Mon Jun 23 12:54:28 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 -7.177 13.635 1.161 1.00 0.00 ATOM 2 CA MET 1 -5.736 13.677 1.388 1.00 0.00 ATOM 3 CB MET 1 -5.094 12.203 1.097 1.00 0.00 ATOM 4 CG MET 1 -3.710 11.850 1.647 1.00 0.00 ATOM 5 SD MET 1 -3.600 11.721 3.452 1.00 0.00 ATOM 6 CE MET 1 -4.169 10.024 3.710 1.00 0.00 ATOM 7 O MET 1 -4.079 14.811 0.067 1.00 0.00 ATOM 8 C MET 1 -5.124 14.901 0.719 1.00 0.00 ATOM 9 N ASP 2 -5.775 16.045 0.890 1.00 0.00 ATOM 10 CA ASP 2 -5.300 17.273 0.268 1.00 0.00 ATOM 11 CB ASP 2 -6.469 18.120 -0.237 1.00 0.00 ATOM 12 CG ASP 2 -7.153 17.510 -1.445 1.00 0.00 ATOM 13 OD1 ASP 2 -6.577 16.577 -2.046 1.00 0.00 ATOM 14 OD2 ASP 2 -8.264 17.961 -1.792 1.00 0.00 ATOM 15 O ASP 2 -5.016 18.388 2.362 1.00 0.00 ATOM 16 C ASP 2 -4.520 18.086 1.285 1.00 0.00 ATOM 17 N LEU 3 -3.307 18.494 0.922 1.00 0.00 ATOM 18 CA LEU 3 -2.514 19.307 1.828 1.00 0.00 ATOM 19 CB LEU 3 -1.049 19.329 1.386 1.00 0.00 ATOM 20 CG LEU 3 -0.313 17.989 1.411 1.00 0.00 ATOM 21 CD1 LEU 3 1.080 18.128 0.816 1.00 0.00 ATOM 22 CD2 LEU 3 -0.173 17.477 2.836 1.00 0.00 ATOM 23 O LEU 3 -3.143 21.389 0.773 1.00 0.00 ATOM 24 C LEU 3 -3.060 20.721 1.821 1.00 0.00 ATOM 25 N ASN 4 -3.428 21.205 3.009 1.00 0.00 ATOM 26 CA ASN 4 -4.034 22.532 3.068 1.00 0.00 ATOM 27 CB ASN 4 -5.357 22.481 3.834 1.00 0.00 ATOM 28 CG ASN 4 -6.400 21.626 3.139 1.00 0.00 ATOM 29 ND2 ASN 4 -7.301 21.043 3.921 1.00 0.00 ATOM 30 OD1 ASN 4 -6.393 21.493 1.915 1.00 0.00 ATOM 31 O ASN 4 -3.229 24.739 3.499 1.00 0.00 ATOM 32 C ASN 4 -3.131 23.551 3.773 1.00 0.00 ATOM 33 N ARG 5 -2.200 22.992 4.643 1.00 0.00 ATOM 34 CA ARG 5 -1.226 23.862 5.295 1.00 0.00 ATOM 35 CB ARG 5 -1.734 24.230 6.684 1.00 0.00 ATOM 36 CG ARG 5 -0.853 25.243 7.397 1.00 0.00 ATOM 37 CD ARG 5 -1.520 25.712 8.705 1.00 0.00 ATOM 38 NE ARG 5 -2.874 26.232 8.507 1.00 0.00 ATOM 39 CZ ARG 5 -3.161 27.449 8.046 1.00 0.00 ATOM 40 NH1 ARG 5 -2.193 28.305 7.720 1.00 0.00 ATOM 41 NH2 ARG 5 -4.428 27.809 7.920 1.00 0.00 ATOM 42 O ARG 5 0.099 21.932 5.839 1.00 0.00 ATOM 43 C ARG 5 0.086 23.122 5.516 1.00 0.00 ATOM 44 N MET 6 1.223 23.890 5.469 1.00 0.00 ATOM 45 CA MET 6 2.548 23.325 5.692 1.00 0.00 ATOM 46 CB MET 6 3.295 23.171 4.366 1.00 0.00 ATOM 47 CG MET 6 4.692 22.587 4.503 1.00 0.00 ATOM 48 SD MET 6 5.519 22.378 2.914 1.00 0.00 ATOM 49 CE MET 6 6.028 24.061 2.573 1.00 0.00 ATOM 50 O MET 6 3.520 25.457 6.290 1.00 0.00 ATOM 51 C MET 6 3.337 24.281 6.602 1.00 0.00 ATOM 52 N GLY 7 3.843 23.680 7.701 1.00 0.00 ATOM 53 CA GLY 7 4.664 24.453 8.628 1.00 0.00 ATOM 54 O GLY 7 5.694 22.490 9.559 1.00 0.00 ATOM 55 C GLY 7 5.837 23.527 8.903 1.00 0.00 ATOM 56 N LYS 8 6.975 23.865 8.312 1.00 0.00 ATOM 57 CA LYS 8 8.175 23.054 8.493 1.00 0.00 ATOM 58 CB LYS 8 8.544 23.073 9.977 1.00 0.00 ATOM 59 CG LYS 8 8.915 24.447 10.509 1.00 0.00 ATOM 60 CD LYS 8 9.298 24.386 11.978 1.00 0.00 ATOM 61 CE LYS 8 9.671 25.763 12.508 1.00 0.00 ATOM 62 NZ LYS 8 9.989 25.729 13.963 1.00 0.00 ATOM 63 O LYS 8 7.300 21.454 6.968 1.00 0.00 ATOM 64 C LYS 8 7.891 21.635 8.037 1.00 0.00 ATOM 65 N ASP 9 8.216 20.480 8.761 1.00 0.00 ATOM 66 CA ASP 9 7.967 19.058 8.492 1.00 0.00 ATOM 67 CB ASP 9 8.937 18.184 9.286 1.00 0.00 ATOM 68 CG ASP 9 8.758 18.329 10.785 1.00 0.00 ATOM 69 OD1 ASP 9 7.894 19.124 11.206 1.00 0.00 ATOM 70 OD2 ASP 9 9.484 17.645 11.538 1.00 0.00 ATOM 71 O ASP 9 6.302 17.373 8.759 1.00 0.00 ATOM 72 C ASP 9 6.562 18.576 8.851 1.00 0.00 ATOM 73 N GLU 10 5.654 19.490 9.186 1.00 0.00 ATOM 74 CA GLU 10 4.287 19.106 9.528 1.00 0.00 ATOM 75 CB GLU 10 3.948 19.555 10.951 1.00 0.00 ATOM 76 CG GLU 10 4.747 18.847 12.032 1.00 0.00 ATOM 77 CD GLU 10 4.332 19.262 13.429 1.00 0.00 ATOM 78 OE1 GLU 10 3.401 20.084 13.553 1.00 0.00 ATOM 79 OE2 GLU 10 4.939 18.765 14.401 1.00 0.00 ATOM 80 O GLU 10 3.287 20.949 8.354 1.00 0.00 ATOM 81 C GLU 10 3.281 19.728 8.576 1.00 0.00 ATOM 82 N TYR 11 2.365 18.899 8.077 1.00 0.00 ATOM 83 CA TYR 11 1.302 19.419 7.239 1.00 0.00 ATOM 84 CB TYR 11 1.131 18.602 5.937 1.00 0.00 ATOM 85 CG TYR 11 2.351 18.732 5.040 1.00 0.00 ATOM 86 CD1 TYR 11 3.411 17.858 5.184 1.00 0.00 ATOM 87 CD2 TYR 11 2.387 19.748 4.085 1.00 0.00 ATOM 88 CE1 TYR 11 4.548 17.986 4.373 1.00 0.00 ATOM 89 CE2 TYR 11 3.508 19.846 3.266 1.00 0.00 ATOM 90 CZ TYR 11 4.558 18.995 3.437 1.00 0.00 ATOM 91 OH TYR 11 5.683 19.160 2.642 1.00 0.00 ATOM 92 O TYR 11 -0.174 18.326 8.758 1.00 0.00 ATOM 93 C TYR 11 -0.033 19.232 7.934 1.00 0.00 ATOM 94 N TYR 12 -1.017 20.029 7.534 1.00 0.00 ATOM 95 CA TYR 12 -2.421 19.726 7.822 1.00 0.00 ATOM 96 CB TYR 12 -3.161 20.977 8.300 1.00 0.00 ATOM 97 CG TYR 12 -2.734 21.456 9.670 1.00 0.00 ATOM 98 CD1 TYR 12 -1.725 22.399 9.810 1.00 0.00 ATOM 99 CD2 TYR 12 -3.341 20.962 10.816 1.00 0.00 ATOM 100 CE1 TYR 12 -1.330 22.843 11.058 1.00 0.00 ATOM 101 CE2 TYR 12 -2.959 21.393 12.073 1.00 0.00 ATOM 102 CZ TYR 12 -1.944 22.343 12.185 1.00 0.00 ATOM 103 OH TYR 12 -1.551 22.782 13.428 1.00 0.00 ATOM 104 O TYR 12 -3.101 20.011 5.576 1.00 0.00 ATOM 105 C TYR 12 -3.125 19.269 6.552 1.00 0.00 ATOM 106 N VAL 13 -3.655 18.058 6.559 1.00 0.00 ATOM 107 CA VAL 13 -4.114 17.378 5.349 1.00 0.00 ATOM 108 CB VAL 13 -3.338 16.068 5.121 1.00 0.00 ATOM 109 CG1 VAL 13 -3.859 15.347 3.887 1.00 0.00 ATOM 110 CG2 VAL 13 -1.857 16.353 4.923 1.00 0.00 ATOM 111 O VAL 13 -5.979 16.625 6.643 1.00 0.00 ATOM 112 C VAL 13 -5.595 17.079 5.569 1.00 0.00 ATOM 113 N GLN 14 -6.413 17.344 4.555 1.00 0.00 ATOM 114 CA GLN 14 -7.875 17.232 4.665 1.00 0.00 ATOM 115 CB GLN 14 -8.556 18.422 3.987 1.00 0.00 ATOM 116 CG GLN 14 -10.072 18.426 4.115 1.00 0.00 ATOM 117 CD GLN 14 -10.704 19.667 3.517 1.00 0.00 ATOM 118 OE1 GLN 14 -10.011 20.625 3.177 1.00 0.00 ATOM 119 NE2 GLN 14 -12.025 19.650 3.384 1.00 0.00 ATOM 120 O GLN 14 -8.114 15.730 2.840 1.00 0.00 ATOM 121 C GLN 14 -8.372 15.967 4.016 1.00 0.00 ATOM 122 N ILE 15 -8.993 15.098 4.842 1.00 0.00 ATOM 123 CA ILE 15 -9.471 13.839 4.275 1.00 0.00 ATOM 124 CB ILE 15 -8.942 12.621 5.054 1.00 0.00 ATOM 125 CG1 ILE 15 -7.413 12.601 5.040 1.00 0.00 ATOM 126 CG2 ILE 15 -9.446 11.329 4.426 1.00 0.00 ATOM 127 CD1 ILE 15 -6.807 11.562 5.957 1.00 0.00 ATOM 128 O ILE 15 -11.551 13.699 5.452 1.00 0.00 ATOM 129 C ILE 15 -10.982 13.930 4.377 1.00 0.00 ATOM 130 N THR 16 -11.616 14.310 3.267 1.00 0.00 ATOM 131 CA THR 16 -13.082 14.436 3.214 1.00 0.00 ATOM 132 CB THR 16 -13.648 13.019 3.102 1.00 0.00 ATOM 133 CG2 THR 16 -13.128 12.326 1.857 1.00 0.00 ATOM 134 OG1 THR 16 -13.296 12.250 4.265 1.00 0.00 ATOM 135 O THR 16 -14.848 15.077 4.690 1.00 0.00 ATOM 136 C THR 16 -13.712 15.319 4.277 1.00 0.00 ATOM 137 N VAL 17 -13.021 16.524 4.721 1.00 0.00 ATOM 138 CA VAL 17 -13.558 17.413 5.752 1.00 0.00 ATOM 139 CB VAL 17 -15.064 17.098 5.986 1.00 0.00 ATOM 140 CG1 VAL 17 -15.621 17.771 7.211 1.00 0.00 ATOM 141 CG2 VAL 17 -15.924 17.519 4.729 1.00 0.00 ATOM 142 O VAL 17 -12.785 18.263 7.840 1.00 0.00 ATOM 143 C VAL 17 -12.809 17.313 7.063 1.00 0.00 ATOM 144 N ASP 18 -12.162 16.170 7.293 1.00 0.00 ATOM 145 CA ASP 18 -11.490 15.918 8.565 1.00 0.00 ATOM 146 CB ASP 18 -11.652 14.453 8.977 1.00 0.00 ATOM 147 CG ASP 18 -11.029 14.156 10.327 1.00 0.00 ATOM 148 OD1 ASP 18 -10.412 15.072 10.911 1.00 0.00 ATOM 149 OD2 ASP 18 -11.157 13.006 10.799 1.00 0.00 ATOM 150 O ASP 18 -9.317 15.631 7.657 1.00 0.00 ATOM 151 C ASP 18 -10.034 16.315 8.397 1.00 0.00 ATOM 152 N GLY 19 -9.602 17.362 9.089 1.00 0.00 ATOM 153 CA GLY 19 -8.174 17.710 9.055 1.00 0.00 ATOM 154 O GLY 19 -7.711 16.769 11.223 1.00 0.00 ATOM 155 C GLY 19 -7.322 16.930 10.053 1.00 0.00 ATOM 156 N LYS 20 -6.136 16.438 9.518 1.00 0.00 ATOM 157 CA LYS 20 -5.199 15.724 10.382 1.00 0.00 ATOM 158 CB LYS 20 -5.176 14.228 10.071 1.00 0.00 ATOM 159 CG LYS 20 -6.364 13.470 10.670 1.00 0.00 ATOM 160 CD LYS 20 -6.589 13.874 12.125 1.00 0.00 ATOM 161 CE LYS 20 -8.066 13.825 12.492 1.00 0.00 ATOM 162 NZ LYS 20 -8.442 15.054 13.242 1.00 0.00 ATOM 163 O LYS 20 -3.469 16.706 9.077 1.00 0.00 ATOM 164 C LYS 20 -3.802 16.276 10.178 1.00 0.00 ATOM 165 N GLU 21 -2.984 16.199 11.221 1.00 0.00 ATOM 166 CA GLU 21 -1.561 16.531 11.079 1.00 0.00 ATOM 167 CB GLU 21 -0.998 17.002 12.438 1.00 0.00 ATOM 168 CG GLU 21 -1.763 18.144 13.102 1.00 0.00 ATOM 169 CD GLU 21 -1.138 18.548 14.440 1.00 0.00 ATOM 170 OE1 GLU 21 -1.328 17.817 15.447 1.00 0.00 ATOM 171 OE2 GLU 21 -0.432 19.587 14.467 1.00 0.00 ATOM 172 O GLU 21 -1.037 14.196 10.899 1.00 0.00 ATOM 173 C GLU 21 -0.803 15.339 10.501 1.00 0.00 ATOM 174 N VAL 22 0.071 15.609 9.534 1.00 0.00 ATOM 175 CA VAL 22 0.778 14.571 8.769 1.00 0.00 ATOM 176 CB VAL 22 0.342 14.624 7.385 1.00 0.00 ATOM 177 CG1 VAL 22 1.222 13.721 6.506 1.00 0.00 ATOM 178 CG2 VAL 22 -1.133 14.239 7.322 1.00 0.00 ATOM 179 O VAL 22 2.621 16.064 8.441 1.00 0.00 ATOM 180 C VAL 22 2.254 14.927 8.678 1.00 0.00 ATOM 181 N HIS 23 3.131 14.050 8.829 1.00 0.00 ATOM 182 CA HIS 23 4.567 14.319 8.707 1.00 0.00 ATOM 183 CB HIS 23 5.376 13.273 9.477 1.00 0.00 ATOM 184 CG HIS 23 5.176 13.326 10.959 1.00 0.00 ATOM 185 CD2 HIS 23 4.396 14.148 11.874 1.00 0.00 ATOM 186 ND1 HIS 23 5.802 12.457 11.826 1.00 0.00 ATOM 187 CE1 HIS 23 5.427 12.748 13.084 1.00 0.00 ATOM 188 NE2 HIS 23 4.585 13.762 13.120 1.00 0.00 ATOM 189 O HIS 23 4.602 13.411 6.485 1.00 0.00 ATOM 190 C HIS 23 5.014 14.276 7.249 1.00 0.00 ATOM 191 N SER 24 6.074 15.093 6.864 1.00 0.00 ATOM 192 CA SER 24 6.533 15.210 5.484 1.00 0.00 ATOM 193 CB SER 24 6.345 16.641 4.976 1.00 0.00 ATOM 194 OG SER 24 7.072 17.563 5.769 1.00 0.00 ATOM 195 O SER 24 8.529 15.239 4.189 1.00 0.00 ATOM 196 C SER 24 8.006 14.899 5.253 1.00 0.00 ATOM 197 N LYS 25 8.681 14.274 6.217 1.00 0.00 ATOM 198 CA LYS 25 10.132 14.080 6.146 1.00 0.00 ATOM 199 CB LYS 25 10.624 13.274 7.349 1.00 0.00 ATOM 200 CG LYS 25 10.589 14.035 8.663 1.00 0.00 ATOM 201 CD LYS 25 11.096 13.179 9.812 1.00 0.00 ATOM 202 CE LYS 25 11.022 13.925 11.133 1.00 0.00 ATOM 203 NZ LYS 25 11.511 13.095 12.269 1.00 0.00 ATOM 204 O LYS 25 11.649 13.556 4.364 1.00 0.00 ATOM 205 C LYS 25 10.573 13.308 4.907 1.00 0.00 ATOM 206 N ALA 26 9.638 12.314 4.506 1.00 0.00 ATOM 207 CA ALA 26 9.946 11.487 3.335 1.00 0.00 ATOM 208 CB ALA 26 9.077 10.238 3.318 1.00 0.00 ATOM 209 O ALA 26 10.338 11.857 0.992 1.00 0.00 ATOM 210 C ALA 26 9.767 12.241 2.017 1.00 0.00 ATOM 211 N ASP 27 8.966 13.298 2.054 1.00 0.00 ATOM 212 CA ASP 27 8.618 14.082 0.878 1.00 0.00 ATOM 213 CB ASP 27 7.512 13.644 0.071 1.00 0.00 ATOM 214 CG ASP 27 6.204 13.342 0.777 1.00 0.00 ATOM 215 OD1 ASP 27 6.192 12.949 1.958 1.00 0.00 ATOM 216 OD2 ASP 27 5.139 13.503 0.120 1.00 0.00 ATOM 217 O ASP 27 7.665 16.232 1.270 1.00 0.00 ATOM 218 C ASP 27 8.706 15.559 1.234 1.00 0.00 ATOM 219 N ASN 28 9.917 16.064 1.517 1.00 0.00 ATOM 220 CA ASN 28 9.982 17.395 2.130 1.00 0.00 ATOM 221 CB ASN 28 11.411 17.706 2.585 1.00 0.00 ATOM 222 CG ASN 28 11.819 16.907 3.806 1.00 0.00 ATOM 223 ND2 ASN 28 13.125 16.781 4.020 1.00 0.00 ATOM 224 OD1 ASN 28 10.973 16.409 4.546 1.00 0.00 ATOM 225 O ASN 28 9.102 19.571 1.676 1.00 0.00 ATOM 226 C ASN 28 9.571 18.535 1.212 1.00 0.00 ATOM 227 N GLY 29 9.522 18.335 -0.200 1.00 0.00 ATOM 228 CA GLY 29 9.022 19.321 -1.168 1.00 0.00 ATOM 229 O GLY 29 7.027 20.292 -2.096 1.00 0.00 ATOM 230 C GLY 29 7.503 19.482 -1.292 1.00 0.00 ATOM 231 N GLN 30 6.738 18.707 -0.527 1.00 0.00 ATOM 232 CA GLN 30 5.275 18.781 -0.583 1.00 0.00 ATOM 233 CB GLN 30 4.469 17.856 -0.151 1.00 0.00 ATOM 234 CG GLN 30 4.036 17.108 -1.400 1.00 0.00 ATOM 235 CD GLN 30 3.206 17.880 -2.396 1.00 0.00 ATOM 236 OE1 GLN 30 3.095 17.498 -3.588 1.00 0.00 ATOM 237 NE2 GLN 30 2.293 18.714 -1.934 1.00 0.00 ATOM 238 O GLN 30 5.275 20.853 0.631 1.00 0.00 ATOM 239 C GLN 30 4.763 20.188 -0.272 1.00 0.00 ATOM 240 N LYS 31 3.740 20.618 -1.005 1.00 0.00 ATOM 241 CA LYS 31 3.205 21.971 -0.844 1.00 0.00 ATOM 242 CB LYS 31 3.542 22.830 -2.064 1.00 0.00 ATOM 243 CG LYS 31 5.029 23.095 -2.244 1.00 0.00 ATOM 244 CD LYS 31 5.288 23.974 -3.457 1.00 0.00 ATOM 245 CE LYS 31 6.775 24.233 -3.643 1.00 0.00 ATOM 246 NZ LYS 31 7.045 25.115 -4.811 1.00 0.00 ATOM 247 O LYS 31 1.010 20.999 -1.082 1.00 0.00 ATOM 248 C LYS 31 1.690 21.960 -0.687 1.00 0.00 ATOM 249 N TYR 32 1.106 22.991 -0.110 1.00 0.00 ATOM 250 CA TYR 32 -0.352 23.105 -0.064 1.00 0.00 ATOM 251 CB TYR 32 -0.587 24.722 0.247 1.00 0.00 ATOM 252 CG TYR 32 0.487 25.405 1.067 1.00 0.00 ATOM 253 CD1 TYR 32 1.599 25.987 0.453 1.00 0.00 ATOM 254 CD2 TYR 32 0.403 25.456 2.458 1.00 0.00 ATOM 255 CE1 TYR 32 2.601 26.598 1.200 1.00 0.00 ATOM 256 CE2 TYR 32 1.403 26.068 3.218 1.00 0.00 ATOM 257 CZ TYR 32 2.496 26.633 2.580 1.00 0.00 ATOM 258 OH TYR 32 3.493 27.213 3.327 1.00 0.00 ATOM 259 O TYR 32 -1.956 22.553 -1.783 1.00 0.00 ATOM 260 C TYR 32 -0.930 23.185 -1.476 1.00 0.00 ATOM 261 N LYS 33 -0.008 23.708 -2.416 1.00 0.00 ATOM 262 CA LYS 33 -0.451 23.871 -3.796 1.00 0.00 ATOM 263 CB LYS 33 0.359 24.965 -4.494 1.00 0.00 ATOM 264 CG LYS 33 0.052 26.372 -4.005 1.00 0.00 ATOM 265 CD LYS 33 0.888 27.406 -4.744 1.00 0.00 ATOM 266 CE LYS 33 0.606 28.808 -4.231 1.00 0.00 ATOM 267 NZ LYS 33 1.434 29.831 -4.928 1.00 0.00 ATOM 268 O LYS 33 -1.124 22.196 -5.373 1.00 0.00 ATOM 269 C LYS 33 -0.266 22.567 -4.576 1.00 0.00 ATOM 270 N ASP 34 0.860 21.876 -4.327 1.00 0.00 ATOM 271 CA ASP 34 1.142 20.617 -5.001 1.00 0.00 ATOM 272 CB ASP 34 2.582 20.177 -4.734 1.00 0.00 ATOM 273 CG ASP 34 3.597 21.026 -5.472 1.00 0.00 ATOM 274 OD1 ASP 34 3.187 21.812 -6.352 1.00 0.00 ATOM 275 OD2 ASP 34 4.805 20.904 -5.173 1.00 0.00 ATOM 276 O ASP 34 -0.330 19.652 -3.350 1.00 0.00 ATOM 277 C ASP 34 0.185 19.557 -4.478 1.00 0.00 ATOM 278 N TYR 35 -0.034 18.532 -5.301 1.00 0.00 ATOM 279 CA TYR 35 -0.687 17.313 -4.840 1.00 0.00 ATOM 280 CB TYR 35 -1.782 16.889 -5.821 1.00 0.00 ATOM 281 CG TYR 35 -2.931 17.867 -5.917 1.00 0.00 ATOM 282 CD1 TYR 35 -2.950 18.845 -6.904 1.00 0.00 ATOM 283 CD2 TYR 35 -3.992 17.808 -5.023 1.00 0.00 ATOM 284 CE1 TYR 35 -3.996 19.744 -7.000 1.00 0.00 ATOM 285 CE2 TYR 35 -5.046 18.700 -5.104 1.00 0.00 ATOM 286 CZ TYR 35 -5.040 19.672 -6.104 1.00 0.00 ATOM 287 OH TYR 35 -6.082 20.565 -6.197 1.00 0.00 ATOM 288 O TYR 35 1.310 16.118 -5.483 1.00 0.00 ATOM 289 C TYR 35 0.335 16.175 -4.719 1.00 0.00 ATOM 290 N GLU 36 0.095 15.266 -3.779 1.00 0.00 ATOM 291 CA GLU 36 0.993 14.134 -3.558 1.00 0.00 ATOM 292 CB GLU 36 1.193 13.886 -2.062 1.00 0.00 ATOM 293 CG GLU 36 -0.079 13.502 -1.322 1.00 0.00 ATOM 294 CD GLU 36 0.159 13.253 0.154 1.00 0.00 ATOM 295 OE1 GLU 36 0.971 12.363 0.484 1.00 0.00 ATOM 296 OE2 GLU 36 -0.467 13.948 0.983 1.00 0.00 ATOM 297 O GLU 36 0.900 11.733 -3.734 1.00 0.00 ATOM 298 C GLU 36 0.496 12.817 -4.152 1.00 0.00 ATOM 299 N TYR 37 -0.467 12.984 -5.142 1.00 0.00 ATOM 300 CA TYR 37 -1.014 11.788 -5.770 1.00 0.00 ATOM 301 CB TYR 37 -1.782 12.108 -7.054 1.00 0.00 ATOM 302 CG TYR 37 -3.134 12.741 -6.817 1.00 0.00 ATOM 303 CD1 TYR 37 -3.343 14.090 -7.074 1.00 0.00 ATOM 304 CD2 TYR 37 -4.198 11.988 -6.336 1.00 0.00 ATOM 305 CE1 TYR 37 -4.576 14.678 -6.861 1.00 0.00 ATOM 306 CE2 TYR 37 -5.438 12.559 -6.117 1.00 0.00 ATOM 307 CZ TYR 37 -5.619 13.915 -6.385 1.00 0.00 ATOM 308 OH TYR 37 -6.847 14.498 -6.171 1.00 0.00 ATOM 309 O TYR 37 -0.170 9.550 -6.027 1.00 0.00 ATOM 310 C TYR 37 0.066 10.755 -6.117 1.00 0.00 ATOM 311 N LYS 38 1.242 11.232 -6.512 1.00 0.00 ATOM 312 CA LYS 38 2.340 10.340 -6.864 1.00 0.00 ATOM 313 CB LYS 38 3.599 11.110 -7.268 1.00 0.00 ATOM 314 CG LYS 38 3.463 11.882 -8.570 1.00 0.00 ATOM 315 CD LYS 38 4.737 12.646 -8.894 1.00 0.00 ATOM 316 CE LYS 38 4.615 13.386 -10.217 1.00 0.00 ATOM 317 NZ LYS 38 5.846 14.162 -10.535 1.00 0.00 ATOM 318 O LYS 38 3.308 8.361 -5.922 1.00 0.00 ATOM 319 C LYS 38 2.723 9.419 -5.710 1.00 0.00 ATOM 320 N LEU 39 2.388 9.823 -4.491 1.00 0.00 ATOM 321 CA LEU 39 2.687 9.025 -3.296 1.00 0.00 ATOM 322 CB LEU 39 3.746 9.714 -2.432 1.00 0.00 ATOM 323 CG LEU 39 4.103 9.020 -1.116 1.00 0.00 ATOM 324 CD1 LEU 39 4.800 7.694 -1.380 1.00 0.00 ATOM 325 CD2 LEU 39 5.034 9.889 -0.285 1.00 0.00 ATOM 326 O LEU 39 0.706 9.797 -2.158 1.00 0.00 ATOM 327 C LEU 39 1.429 8.838 -2.448 1.00 0.00 ATOM 328 N THR 40 1.106 7.607 -2.149 1.00 0.00 ATOM 329 CA THR 40 -0.050 7.224 -1.358 1.00 0.00 ATOM 330 CB THR 40 -0.858 6.109 -2.047 1.00 0.00 ATOM 331 CG2 THR 40 -1.379 6.582 -3.395 1.00 0.00 ATOM 332 OG1 THR 40 -0.020 4.964 -2.250 1.00 0.00 ATOM 333 O THR 40 1.380 5.900 0.041 1.00 0.00 ATOM 334 C THR 40 0.459 6.717 -0.013 1.00 0.00 ATOM 335 N GLY 41 -0.141 7.198 1.070 1.00 0.00 ATOM 336 CA GLY 41 0.264 6.779 2.420 1.00 0.00 ATOM 337 O GLY 41 -1.960 7.316 3.098 1.00 0.00 ATOM 338 C GLY 41 -0.860 6.866 3.421 1.00 0.00 ATOM 339 N PHE 42 -0.591 6.436 4.650 1.00 0.00 ATOM 340 CA PHE 42 -1.600 6.475 5.702 1.00 0.00 ATOM 341 CB PHE 42 -2.028 5.042 6.048 1.00 0.00 ATOM 342 CG PHE 42 -2.475 4.244 4.863 1.00 0.00 ATOM 343 CD1 PHE 42 -1.552 3.521 4.110 1.00 0.00 ATOM 344 CD2 PHE 42 -3.810 4.224 4.488 1.00 0.00 ATOM 345 CE1 PHE 42 -1.960 2.788 2.995 1.00 0.00 ATOM 346 CE2 PHE 42 -4.231 3.492 3.374 1.00 0.00 ATOM 347 CZ PHE 42 -3.298 2.774 2.629 1.00 0.00 ATOM 348 O PHE 42 0.031 7.338 7.236 1.00 0.00 ATOM 349 C PHE 42 -1.134 7.379 6.838 1.00 0.00 ATOM 350 N ASP 43 -2.044 8.194 7.359 1.00 0.00 ATOM 351 CA ASP 43 -1.711 9.105 8.456 1.00 0.00 ATOM 352 CB ASP 43 -2.302 10.470 8.138 1.00 0.00 ATOM 353 CG ASP 43 -1.488 11.086 7.016 1.00 0.00 ATOM 354 OD1 ASP 43 -0.526 10.438 6.569 1.00 0.00 ATOM 355 OD2 ASP 43 -1.806 12.214 6.598 1.00 0.00 ATOM 356 O ASP 43 -3.505 8.266 9.807 1.00 0.00 ATOM 357 C ASP 43 -2.307 8.541 9.739 1.00 0.00 ATOM 358 N LYS 44 -1.470 8.372 10.757 1.00 0.00 ATOM 359 CA LYS 44 -1.931 7.841 12.034 1.00 0.00 ATOM 360 CB LYS 44 -1.483 6.396 12.261 1.00 0.00 ATOM 361 CG LYS 44 -2.027 5.771 13.536 1.00 0.00 ATOM 362 CD LYS 44 -1.660 4.298 13.628 1.00 0.00 ATOM 363 CE LYS 44 -2.252 3.659 14.875 1.00 0.00 ATOM 364 NZ LYS 44 -1.945 2.205 14.952 1.00 0.00 ATOM 365 O LYS 44 -0.225 8.753 13.400 1.00 0.00 ATOM 366 C LYS 44 -1.410 8.728 13.171 1.00 0.00 ATOM 367 N ASP 45 -2.375 9.571 13.743 1.00 0.00 ATOM 368 CA ASP 45 -1.957 10.486 14.819 1.00 0.00 ATOM 369 CB ASP 45 -1.494 9.653 16.017 1.00 0.00 ATOM 370 CG ASP 45 -2.608 8.809 16.604 1.00 0.00 ATOM 371 OD1 ASP 45 -3.701 9.359 16.856 1.00 0.00 ATOM 372 OD2 ASP 45 -2.387 7.597 16.814 1.00 0.00 ATOM 373 O ASP 45 0.064 11.756 15.131 1.00 0.00 ATOM 374 C ASP 45 -0.851 11.434 14.369 1.00 0.00 ATOM 375 N GLY 46 -0.954 11.857 13.125 1.00 0.00 ATOM 376 CA GLY 46 0.016 12.788 12.580 1.00 0.00 ATOM 377 O GLY 46 1.875 12.842 11.064 1.00 0.00 ATOM 378 C GLY 46 1.214 12.171 11.878 1.00 0.00 ATOM 379 N LYS 47 1.549 10.883 12.189 1.00 0.00 ATOM 380 CA LYS 47 2.695 10.189 11.612 1.00 0.00 ATOM 381 CB LYS 47 3.133 9.032 12.511 1.00 0.00 ATOM 382 CG LYS 47 3.718 9.470 13.845 1.00 0.00 ATOM 383 CD LYS 47 4.149 8.275 14.678 1.00 0.00 ATOM 384 CE LYS 47 4.750 8.713 16.004 1.00 0.00 ATOM 385 NZ LYS 47 5.164 7.551 16.837 1.00 0.00 ATOM 386 O LYS 47 1.332 9.060 9.980 1.00 0.00 ATOM 387 C LYS 47 2.430 9.555 10.241 1.00 0.00 ATOM 388 N GLU 48 3.535 9.593 9.371 1.00 0.00 ATOM 389 CA GLU 48 3.391 8.927 8.080 1.00 0.00 ATOM 390 CB GLU 48 4.419 9.540 7.127 1.00 0.00 ATOM 391 CG GLU 48 4.366 8.980 5.714 1.00 0.00 ATOM 392 CD GLU 48 5.408 9.598 4.804 1.00 0.00 ATOM 393 OE1 GLU 48 6.176 10.463 5.278 1.00 0.00 ATOM 394 OE2 GLU 48 5.459 9.219 3.614 1.00 0.00 ATOM 395 O GLU 48 4.710 7.045 8.785 1.00 0.00 ATOM 396 C GLU 48 3.660 7.437 8.281 1.00 0.00 ATOM 397 N LYS 49 2.701 6.587 7.900 1.00 0.00 ATOM 398 CA LYS 49 2.840 5.161 8.077 1.00 0.00 ATOM 399 CB LYS 49 1.826 4.658 9.106 1.00 0.00 ATOM 400 CG LYS 49 1.963 5.301 10.478 1.00 0.00 ATOM 401 CD LYS 49 3.215 4.818 11.192 1.00 0.00 ATOM 402 CE LYS 49 3.297 5.376 12.603 1.00 0.00 ATOM 403 NZ LYS 49 4.535 4.936 13.303 1.00 0.00 ATOM 404 O LYS 49 2.013 5.010 5.867 1.00 0.00 ATOM 405 C LYS 49 2.596 4.451 6.765 1.00 0.00 ATOM 406 N GLU 50 3.001 3.207 6.690 1.00 0.00 ATOM 407 CA GLU 50 2.744 2.412 5.499 1.00 0.00 ATOM 408 CB GLU 50 3.927 2.498 4.532 1.00 0.00 ATOM 409 CG GLU 50 3.714 1.757 3.223 1.00 0.00 ATOM 410 CD GLU 50 4.885 1.904 2.271 1.00 0.00 ATOM 411 OE1 GLU 50 5.849 2.617 2.623 1.00 0.00 ATOM 412 OE2 GLU 50 4.841 1.305 1.175 1.00 0.00 ATOM 413 O GLU 50 3.095 0.461 6.832 1.00 0.00 ATOM 414 C GLU 50 2.529 0.948 5.861 1.00 0.00 ATOM 415 N LEU 51 1.466 0.549 5.006 1.00 0.00 ATOM 416 CA LEU 51 1.248 -0.871 5.206 1.00 0.00 ATOM 417 CB LEU 51 0.040 -1.105 6.115 1.00 0.00 ATOM 418 CG LEU 51 0.178 -0.627 7.562 1.00 0.00 ATOM 419 CD1 LEU 51 -1.154 -0.725 8.290 1.00 0.00 ATOM 420 CD2 LEU 51 1.193 -1.474 8.314 1.00 0.00 ATOM 421 O LEU 51 0.315 -0.941 3.000 1.00 0.00 ATOM 422 C LEU 51 1.051 -1.515 3.828 1.00 0.00 ATOM 423 N GLU 52 1.619 -2.655 3.616 1.00 0.00 ATOM 424 CA GLU 52 1.383 -3.390 2.388 1.00 0.00 ATOM 425 CB GLU 52 2.411 -4.511 2.273 1.00 0.00 ATOM 426 CG GLU 52 2.390 -5.334 0.983 1.00 0.00 ATOM 427 CD GLU 52 3.601 -6.219 0.839 1.00 0.00 ATOM 428 OE1 GLU 52 4.494 -6.156 1.711 1.00 0.00 ATOM 429 OE2 GLU 52 3.642 -6.997 -0.159 1.00 0.00 ATOM 430 O GLU 52 -0.630 -4.178 3.459 1.00 0.00 ATOM 431 C GLU 52 -0.069 -3.855 2.404 1.00 0.00 ATOM 432 N PHE 53 -0.677 -3.888 1.229 1.00 0.00 ATOM 433 CA PHE 53 -2.058 -4.324 1.131 1.00 0.00 ATOM 434 CB PHE 53 -2.525 -4.300 -0.327 1.00 0.00 ATOM 435 CG PHE 53 -1.938 -5.395 -1.169 1.00 0.00 ATOM 436 CD1 PHE 53 -2.581 -6.615 -1.292 1.00 0.00 ATOM 437 CD2 PHE 53 -0.742 -5.207 -1.840 1.00 0.00 ATOM 438 CE1 PHE 53 -2.042 -7.623 -2.067 1.00 0.00 ATOM 439 CE2 PHE 53 -0.201 -6.214 -2.615 1.00 0.00 ATOM 440 CZ PHE 53 -0.846 -7.419 -2.732 1.00 0.00 ATOM 441 O PHE 53 -3.326 -6.081 2.159 1.00 0.00 ATOM 442 C PHE 53 -2.251 -5.738 1.636 1.00 0.00 ATOM 443 N THR 54 -1.156 -6.597 1.485 1.00 0.00 ATOM 444 CA THR 54 -1.230 -7.968 1.973 1.00 0.00 ATOM 445 CB THR 54 0.021 -8.776 1.579 1.00 0.00 ATOM 446 CG2 THR 54 0.164 -8.829 0.065 1.00 0.00 ATOM 447 OG1 THR 54 1.187 -8.157 2.134 1.00 0.00 ATOM 448 O THR 54 -1.822 -9.121 3.979 1.00 0.00 ATOM 449 C THR 54 -1.421 -8.039 3.481 1.00 0.00 ATOM 450 N ALA 55 -1.113 -7.006 4.241 1.00 0.00 ATOM 451 CA ALA 55 -1.312 -6.976 5.675 1.00 0.00 ATOM 452 CB ALA 55 -0.298 -6.036 6.308 1.00 0.00 ATOM 453 O ALA 55 -3.088 -6.633 7.252 1.00 0.00 ATOM 454 C ALA 55 -2.709 -6.543 6.081 1.00 0.00 ATOM 455 N GLN 56 -3.382 -5.970 5.008 1.00 0.00 ATOM 456 CA GLN 56 -4.697 -5.449 5.351 1.00 0.00 ATOM 457 CB GLN 56 -5.232 -4.562 4.225 1.00 0.00 ATOM 458 CG GLN 56 -4.451 -3.272 4.028 1.00 0.00 ATOM 459 CD GLN 56 -4.972 -2.449 2.866 1.00 0.00 ATOM 460 OE1 GLN 56 -5.824 -2.903 2.103 1.00 0.00 ATOM 461 NE2 GLN 56 -4.460 -1.232 2.728 1.00 0.00 ATOM 462 O GLN 56 -5.526 -7.640 5.026 1.00 0.00 ATOM 463 C GLN 56 -5.591 -6.604 5.655 1.00 0.00 ATOM 464 N LYS 57 -6.428 -6.376 6.667 1.00 0.00 ATOM 465 CA LYS 57 -7.371 -7.352 7.180 1.00 0.00 ATOM 466 CB LYS 57 -7.490 -7.330 8.677 1.00 0.00 ATOM 467 CG LYS 57 -6.547 -8.259 9.410 1.00 0.00 ATOM 468 CD LYS 57 -6.772 -8.252 10.917 1.00 0.00 ATOM 469 CE LYS 57 -5.478 -7.933 11.658 1.00 0.00 ATOM 470 NZ LYS 57 -5.313 -8.654 12.950 1.00 0.00 ATOM 471 O LYS 57 -9.449 -7.852 6.090 1.00 0.00 ATOM 472 C LYS 57 -8.787 -7.026 6.717 1.00 0.00 ATOM 473 N ASN 58 -9.250 -5.818 7.027 1.00 0.00 ATOM 474 CA ASN 58 -10.589 -5.398 6.633 1.00 0.00 ATOM 475 CB ASN 58 -11.479 -5.333 7.876 1.00 0.00 ATOM 476 CG ASN 58 -11.669 -6.687 8.528 1.00 0.00 ATOM 477 ND2 ASN 58 -11.043 -6.878 9.685 1.00 0.00 ATOM 478 OD1 ASN 58 -12.369 -7.550 7.999 1.00 0.00 ATOM 479 O ASN 58 -9.766 -3.149 6.490 1.00 0.00 ATOM 480 C ASN 58 -10.548 -3.990 6.048 1.00 0.00 ATOM 481 N LEU 59 -11.408 -3.730 5.068 1.00 0.00 ATOM 482 CA LEU 59 -11.460 -2.413 4.435 1.00 0.00 ATOM 483 CB LEU 59 -10.801 -2.363 3.088 1.00 0.00 ATOM 484 CG LEU 59 -9.317 -2.485 2.902 1.00 0.00 ATOM 485 CD1 LEU 59 -9.023 -2.644 1.424 1.00 0.00 ATOM 486 CD2 LEU 59 -8.618 -1.258 3.481 1.00 0.00 ATOM 487 O LEU 59 -13.777 -2.800 3.998 1.00 0.00 ATOM 488 C LEU 59 -12.901 -1.984 4.291 1.00 0.00 ATOM 489 N ARG 60 -13.162 -0.702 4.528 1.00 0.00 ATOM 490 CA ARG 60 -14.516 -0.174 4.417 1.00 0.00 ATOM 491 CB ARG 60 -15.296 -0.338 5.723 1.00 0.00 ATOM 492 CG ARG 60 -14.717 0.438 6.895 1.00 0.00 ATOM 493 CD ARG 60 -15.539 0.231 8.155 1.00 0.00 ATOM 494 NE ARG 60 -14.955 0.912 9.309 1.00 0.00 ATOM 495 CZ ARG 60 -15.160 2.192 9.603 1.00 0.00 ATOM 496 NH1 ARG 60 -14.588 2.727 10.672 1.00 0.00 ATOM 497 NH2 ARG 60 -15.938 2.935 8.826 1.00 0.00 ATOM 498 O ARG 60 -13.342 1.881 3.973 1.00 0.00 ATOM 499 C ARG 60 -14.441 1.326 4.070 1.00 0.00 ATOM 500 N LYS 61 -15.609 1.993 3.682 1.00 0.00 ATOM 501 CA LYS 61 -15.655 3.394 3.333 1.00 0.00 ATOM 502 CB LYS 61 -16.322 3.587 1.970 1.00 0.00 ATOM 503 CG LYS 61 -16.347 5.026 1.487 1.00 0.00 ATOM 504 CD LYS 61 -17.055 5.149 0.148 1.00 0.00 ATOM 505 CE LYS 61 -17.085 6.591 -0.332 1.00 0.00 ATOM 506 NZ LYS 61 -17.750 6.722 -1.658 1.00 0.00 ATOM 507 O LYS 61 -17.656 3.926 4.572 1.00 0.00 ATOM 508 C LYS 61 -16.456 4.144 4.395 1.00 0.00 ATOM 509 N GLU 62 -15.796 5.015 5.100 1.00 0.00 ATOM 510 CA GLU 62 -16.451 5.807 6.153 1.00 0.00 ATOM 511 CB GLU 62 -15.707 5.650 7.481 1.00 0.00 ATOM 512 CG GLU 62 -16.321 6.431 8.632 1.00 0.00 ATOM 513 CD GLU 62 -15.646 6.141 9.959 1.00 0.00 ATOM 514 OE1 GLU 62 -14.665 5.369 9.969 1.00 0.00 ATOM 515 OE2 GLU 62 -16.102 6.685 10.987 1.00 0.00 ATOM 516 O GLU 62 -15.377 7.910 5.768 1.00 0.00 ATOM 517 C GLU 62 -16.367 7.227 5.616 1.00 0.00 ATOM 518 N ALA 63 -17.483 7.650 4.822 1.00 0.00 ATOM 519 CA ALA 63 -17.462 8.934 4.133 1.00 0.00 ATOM 520 CB ALA 63 -16.984 10.038 5.062 1.00 0.00 ATOM 521 O ALA 63 -16.685 7.869 2.159 1.00 0.00 ATOM 522 C ALA 63 -16.500 8.784 2.956 1.00 0.00 ATOM 523 N PHE 64 -15.458 9.604 2.851 1.00 0.00 ATOM 524 CA PHE 64 -14.508 9.462 1.766 1.00 0.00 ATOM 525 CB PHE 64 -14.347 10.738 0.937 1.00 0.00 ATOM 526 CG PHE 64 -15.565 10.994 0.075 1.00 0.00 ATOM 527 CD1 PHE 64 -16.689 11.671 0.578 1.00 0.00 ATOM 528 CD2 PHE 64 -15.574 10.612 -1.270 1.00 0.00 ATOM 529 CE1 PHE 64 -17.803 11.883 -0.233 1.00 0.00 ATOM 530 CE2 PHE 64 -16.647 10.921 -2.121 1.00 0.00 ATOM 531 CZ PHE 64 -17.790 11.504 -1.579 1.00 0.00 ATOM 532 O PHE 64 -12.131 8.859 1.574 1.00 0.00 ATOM 533 C PHE 64 -13.186 8.861 2.263 1.00 0.00 ATOM 534 N LEU 65 -13.213 8.419 3.511 1.00 0.00 ATOM 535 CA LEU 65 -12.064 7.761 4.079 1.00 0.00 ATOM 536 CB LEU 65 -12.027 7.961 5.595 1.00 0.00 ATOM 537 CG LEU 65 -11.932 9.406 6.087 1.00 0.00 ATOM 538 CD1 LEU 65 -11.986 9.462 7.605 1.00 0.00 ATOM 539 CD2 LEU 65 -10.629 10.044 5.633 1.00 0.00 ATOM 540 O LEU 65 -12.966 5.547 4.281 1.00 0.00 ATOM 541 C LEU 65 -12.085 6.257 3.787 1.00 0.00 ATOM 542 N ARG 66 -11.193 5.779 2.932 1.00 0.00 ATOM 543 CA ARG 66 -11.078 4.350 2.711 1.00 0.00 ATOM 544 CB ARG 66 -10.344 4.065 1.399 1.00 0.00 ATOM 545 CG ARG 66 -11.059 4.584 0.162 1.00 0.00 ATOM 546 CD ARG 66 -12.319 3.783 -0.124 1.00 0.00 ATOM 547 NE ARG 66 -13.007 4.256 -1.323 1.00 0.00 ATOM 548 CZ ARG 66 -14.106 3.699 -1.821 1.00 0.00 ATOM 549 NH1 ARG 66 -14.665 4.198 -2.916 1.00 0.00 ATOM 550 NH2 ARG 66 -14.647 2.646 -1.223 1.00 0.00 ATOM 551 O ARG 66 -9.054 4.174 4.064 1.00 0.00 ATOM 552 C ARG 66 -10.274 3.886 3.920 1.00 0.00 ATOM 553 N VAL 67 -10.948 3.123 4.761 1.00 0.00 ATOM 554 CA VAL 67 -10.483 2.723 6.056 1.00 0.00 ATOM 555 CB VAL 67 -11.539 3.004 7.142 1.00 0.00 ATOM 556 CG1 VAL 67 -11.059 2.504 8.494 1.00 0.00 ATOM 557 CG2 VAL 67 -11.807 4.499 7.249 1.00 0.00 ATOM 558 O VAL 67 -10.815 0.454 5.490 1.00 0.00 ATOM 559 C VAL 67 -10.165 1.256 6.125 1.00 0.00 ATOM 560 N TYR 68 -9.230 0.879 6.985 1.00 0.00 ATOM 561 CA TYR 68 -8.840 -0.516 7.070 1.00 0.00 ATOM 562 CB TYR 68 -7.960 -0.930 5.859 1.00 0.00 ATOM 563 CG TYR 68 -6.531 -0.428 5.852 1.00 0.00 ATOM 564 CD1 TYR 68 -5.500 -1.207 6.367 1.00 0.00 ATOM 565 CD2 TYR 68 -6.208 0.804 5.289 1.00 0.00 ATOM 566 CE1 TYR 68 -4.177 -0.779 6.316 1.00 0.00 ATOM 567 CE2 TYR 68 -4.886 1.246 5.235 1.00 0.00 ATOM 568 CZ TYR 68 -3.877 0.446 5.749 1.00 0.00 ATOM 569 OH TYR 68 -2.569 0.875 5.690 1.00 0.00 ATOM 570 O TYR 68 -7.486 -0.000 9.023 1.00 0.00 ATOM 571 C TYR 68 -8.122 -0.868 8.351 1.00 0.00 ATOM 572 N HIS 69 -8.275 -2.121 8.752 1.00 0.00 ATOM 573 CA HIS 69 -7.540 -2.625 9.907 1.00 0.00 ATOM 574 CB HIS 69 -8.477 -3.385 10.849 1.00 0.00 ATOM 575 CG HIS 69 -9.586 -2.546 11.403 1.00 0.00 ATOM 576 CD2 HIS 69 -10.976 -2.295 11.048 1.00 0.00 ATOM 577 ND1 HIS 69 -9.433 -1.753 12.519 1.00 0.00 ATOM 578 CE1 HIS 69 -10.595 -1.124 12.773 1.00 0.00 ATOM 579 NE2 HIS 69 -11.525 -1.445 11.894 1.00 0.00 ATOM 580 O HIS 69 -6.747 -4.272 8.360 1.00 0.00 ATOM 581 C HIS 69 -6.494 -3.583 9.349 1.00 0.00 ATOM 582 N SER 70 -5.400 -3.762 10.083 1.00 0.00 ATOM 583 CA SER 70 -4.345 -4.649 9.647 1.00 0.00 ATOM 584 CB SER 70 -3.363 -3.845 8.794 1.00 0.00 ATOM 585 OG SER 70 -2.684 -2.876 9.573 1.00 0.00 ATOM 586 O SER 70 -3.750 -4.799 11.973 1.00 0.00 ATOM 587 C SER 70 -3.584 -5.229 10.826 1.00 0.00 ATOM 588 N ASP 71 -2.779 -6.258 10.527 1.00 0.00 ATOM 589 CA ASP 71 -1.921 -6.844 11.543 1.00 0.00 ATOM 590 CB ASP 71 -2.411 -8.243 11.884 1.00 0.00 ATOM 591 CG ASP 71 -1.638 -8.848 13.033 1.00 0.00 ATOM 592 OD1 ASP 71 -0.427 -8.571 13.147 1.00 0.00 ATOM 593 OD2 ASP 71 -2.242 -9.610 13.814 1.00 0.00 ATOM 594 O ASP 71 -0.308 -7.873 10.091 1.00 0.00 ATOM 595 C ASP 71 -0.551 -6.955 10.875 1.00 0.00 ATOM 596 N LYS 72 0.355 -6.045 11.220 1.00 0.00 ATOM 597 CA LYS 72 1.695 -6.057 10.647 1.00 0.00 ATOM 598 CB LYS 72 2.071 -4.616 10.297 1.00 0.00 ATOM 599 CG LYS 72 3.431 -4.473 9.632 1.00 0.00 ATOM 600 CD LYS 72 3.695 -3.035 9.216 1.00 0.00 ATOM 601 CE LYS 72 5.102 -2.868 8.668 1.00 0.00 ATOM 602 NZ LYS 72 5.386 -1.457 8.287 1.00 0.00 ATOM 603 O LYS 72 3.177 -5.727 12.512 1.00 0.00 ATOM 604 C LYS 72 2.789 -6.488 11.621 1.00 0.00 ATOM 605 N LYS 73 3.288 -7.771 11.391 1.00 0.00 ATOM 606 CA LYS 73 4.328 -8.305 12.267 1.00 0.00 ATOM 607 CB LYS 73 5.701 -7.648 12.109 1.00 0.00 ATOM 608 CG LYS 73 6.312 -7.812 10.727 1.00 0.00 ATOM 609 CD LYS 73 7.660 -7.117 10.634 1.00 0.00 ATOM 610 CE LYS 73 8.255 -7.251 9.240 1.00 0.00 ATOM 611 NZ LYS 73 9.522 -6.482 9.102 1.00 0.00 ATOM 612 O LYS 73 4.768 -7.760 14.561 1.00 0.00 ATOM 613 C LYS 73 3.949 -8.169 13.737 1.00 0.00 ATOM 614 N GLY 74 2.708 -8.513 14.066 1.00 0.00 ATOM 615 CA GLY 74 2.239 -8.424 15.441 1.00 0.00 ATOM 616 O GLY 74 0.975 -6.998 16.911 1.00 0.00 ATOM 617 C GLY 74 1.625 -7.083 15.869 1.00 0.00 ATOM 618 N VAL 75 1.838 -6.046 15.065 1.00 0.00 ATOM 619 CA VAL 75 1.298 -4.727 15.375 1.00 0.00 ATOM 620 CB VAL 75 2.228 -3.601 14.888 1.00 0.00 ATOM 621 CG1 VAL 75 1.616 -2.240 15.181 1.00 0.00 ATOM 622 CG2 VAL 75 3.576 -3.682 15.589 1.00 0.00 ATOM 623 O VAL 75 -0.125 -4.418 13.487 1.00 0.00 ATOM 624 C VAL 75 -0.046 -4.548 14.705 1.00 0.00 ATOM 625 N SER 76 -1.184 -4.793 15.478 1.00 0.00 ATOM 626 CA SER 76 -2.529 -4.615 14.967 1.00 0.00 ATOM 627 CB SER 76 -3.527 -5.435 15.788 1.00 0.00 ATOM 628 OG SER 76 -4.858 -5.186 15.372 1.00 0.00 ATOM 629 O SER 76 -2.661 -2.535 16.030 1.00 0.00 ATOM 630 C SER 76 -2.919 -3.188 15.039 1.00 0.00 ATOM 631 N ALA 77 -3.510 -2.681 13.956 1.00 0.00 ATOM 632 CA ALA 77 -3.804 -1.274 13.903 1.00 0.00 ATOM 633 CB ALA 77 -2.546 -0.480 13.585 1.00 0.00 ATOM 634 O ALA 77 -5.396 -1.795 12.170 1.00 0.00 ATOM 635 C ALA 77 -4.829 -0.920 12.829 1.00 0.00 ATOM 636 N TRP 78 -5.035 0.376 12.675 1.00 0.00 ATOM 637 CA TRP 78 -5.993 0.919 11.724 1.00 0.00 ATOM 638 CB TRP 78 -7.257 1.379 12.453 1.00 0.00 ATOM 639 CG TRP 78 -7.019 2.502 13.416 1.00 0.00 ATOM 640 CD1 TRP 78 -6.602 2.396 14.712 1.00 0.00 ATOM 641 CD2 TRP 78 -7.181 3.902 13.160 1.00 0.00 ATOM 642 CE2 TRP 78 -6.846 4.585 14.346 1.00 0.00 ATOM 643 CE3 TRP 78 -7.578 4.645 12.044 1.00 0.00 ATOM 644 NE1 TRP 78 -6.496 3.643 15.279 1.00 0.00 ATOM 645 CZ2 TRP 78 -6.896 5.974 14.446 1.00 0.00 ATOM 646 CZ3 TRP 78 -7.626 6.022 12.148 1.00 0.00 ATOM 647 CH2 TRP 78 -7.287 6.675 13.339 1.00 0.00 ATOM 648 O TRP 78 -4.792 2.985 11.582 1.00 0.00 ATOM 649 C TRP 78 -5.438 2.127 10.981 1.00 0.00 ATOM 650 N GLU 79 -5.809 2.218 9.731 1.00 0.00 ATOM 651 CA GLU 79 -5.328 3.332 8.921 1.00 0.00 ATOM 652 CB GLU 79 -4.136 2.908 8.060 1.00 0.00 ATOM 653 CG GLU 79 -2.914 2.485 8.859 1.00 0.00 ATOM 654 CD GLU 79 -2.283 3.638 9.614 1.00 0.00 ATOM 655 OE1 GLU 79 -2.590 4.803 9.285 1.00 0.00 ATOM 656 OE2 GLU 79 -1.480 3.377 10.535 1.00 0.00 ATOM 657 O GLU 79 -7.435 3.084 7.882 1.00 0.00 ATOM 658 C GLU 79 -6.439 3.782 8.006 1.00 0.00 ATOM 659 N GLU 80 -6.298 4.952 7.397 1.00 0.00 ATOM 660 CA GLU 80 -7.297 5.458 6.465 1.00 0.00 ATOM 661 CB GLU 80 -8.406 6.182 7.230 1.00 0.00 ATOM 662 CG GLU 80 -7.948 7.443 7.945 1.00 0.00 ATOM 663 CD GLU 80 -9.068 8.117 8.713 1.00 0.00 ATOM 664 OE1 GLU 80 -9.704 7.443 9.549 1.00 0.00 ATOM 665 OE2 GLU 80 -9.308 9.320 8.477 1.00 0.00 ATOM 666 O GLU 80 -5.678 7.084 5.942 1.00 0.00 ATOM 667 C GLU 80 -6.611 6.414 5.541 1.00 0.00 ATOM 668 N VAL 81 -7.079 6.493 4.299 1.00 0.00 ATOM 669 CA VAL 81 -6.546 7.456 3.322 1.00 0.00 ATOM 670 CB VAL 81 -5.619 6.786 2.305 1.00 0.00 ATOM 671 CG1 VAL 81 -6.350 5.787 1.414 1.00 0.00 ATOM 672 CG2 VAL 81 -4.957 7.875 1.469 1.00 0.00 ATOM 673 O VAL 81 -8.739 7.144 2.353 1.00 0.00 ATOM 674 C VAL 81 -7.737 7.879 2.469 1.00 0.00 ATOM 675 N LYS 82 -7.632 9.025 1.806 1.00 0.00 ATOM 676 CA LYS 82 -8.742 9.474 0.979 1.00 0.00 ATOM 677 CB LYS 82 -8.510 10.912 0.516 1.00 0.00 ATOM 678 CG LYS 82 -9.655 11.496 -0.296 1.00 0.00 ATOM 679 CD LYS 82 -9.372 12.934 -0.698 1.00 0.00 ATOM 680 CE LYS 82 -10.518 13.516 -1.510 1.00 0.00 ATOM 681 NZ LYS 82 -10.245 14.919 -1.930 1.00 0.00 ATOM 682 O LYS 82 -7.874 7.924 -0.671 1.00 0.00 ATOM 683 C LYS 82 -8.860 8.559 -0.232 1.00 0.00 ATOM 684 N LYS 83 -10.074 8.466 -0.755 1.00 0.00 ATOM 685 CA LYS 83 -10.346 7.607 -1.911 1.00 0.00 ATOM 686 CB LYS 83 -11.625 8.383 -2.729 1.00 0.00 ATOM 687 CG LYS 83 -12.495 7.568 -3.677 1.00 0.00 ATOM 688 CD LYS 83 -13.295 8.471 -4.583 1.00 0.00 ATOM 689 CE LYS 83 -14.378 7.717 -5.363 1.00 0.00 ATOM 690 NZ LYS 83 -13.739 6.878 -6.421 1.00 0.00 ATOM 691 O LYS 83 -8.916 6.912 -3.692 1.00 0.00 ATOM 692 C LYS 83 -9.393 7.878 -3.053 1.00 0.00 ATOM 693 N ASP 84 -9.056 9.122 -3.357 1.00 0.00 ATOM 694 CA ASP 84 -8.167 9.434 -4.474 1.00 0.00 ATOM 695 CB ASP 84 -8.089 10.946 -4.692 1.00 0.00 ATOM 696 CG ASP 84 -9.361 11.515 -5.290 1.00 0.00 ATOM 697 OD1 ASP 84 -10.202 10.721 -5.763 1.00 0.00 ATOM 698 OD2 ASP 84 -9.516 12.753 -5.287 1.00 0.00 ATOM 699 O ASP 84 -6.013 8.693 -5.219 1.00 0.00 ATOM 700 C ASP 84 -6.736 8.931 -4.255 1.00 0.00 ATOM 701 N GLU 85 -6.339 8.744 -2.997 1.00 0.00 ATOM 702 CA GLU 85 -4.991 8.278 -2.669 1.00 0.00 ATOM 703 CB GLU 85 -4.535 8.860 -1.329 1.00 0.00 ATOM 704 CG GLU 85 -4.476 10.378 -1.300 1.00 0.00 ATOM 705 CD GLU 85 -3.532 10.946 -2.342 1.00 0.00 ATOM 706 OE1 GLU 85 -2.368 10.496 -2.396 1.00 0.00 ATOM 707 OE2 GLU 85 -3.955 11.841 -3.104 1.00 0.00 ATOM 708 O GLU 85 -3.772 6.250 -2.263 1.00 0.00 ATOM 709 C GLU 85 -4.853 6.756 -2.546 1.00 0.00 ATOM 710 N LEU 86 -5.936 6.024 -2.764 1.00 0.00 ATOM 711 CA LEU 86 -5.881 4.570 -2.636 1.00 0.00 ATOM 712 CB LEU 86 -7.268 4.014 -2.131 1.00 0.00 ATOM 713 CG LEU 86 -7.444 2.526 -1.749 1.00 0.00 ATOM 714 CD1 LEU 86 -6.944 2.303 -0.313 1.00 0.00 ATOM 715 CD2 LEU 86 -8.936 2.099 -1.814 1.00 0.00 ATOM 716 O LEU 86 -5.888 4.092 -4.982 1.00 0.00 ATOM 717 C LEU 86 -5.362 3.886 -3.889 1.00 0.00 ATOM 718 N PRO 87 -4.311 3.033 -3.734 1.00 0.00 ATOM 719 CA PRO 87 -3.725 2.306 -4.864 1.00 0.00 ATOM 720 CB PRO 87 -2.581 1.530 -4.217 1.00 0.00 ATOM 721 CG PRO 87 -2.185 2.410 -3.068 1.00 0.00 ATOM 722 CD PRO 87 -3.518 2.822 -2.511 1.00 0.00 ATOM 723 O PRO 87 -5.778 1.071 -4.744 1.00 0.00 ATOM 724 C PRO 87 -4.826 1.424 -5.441 1.00 0.00 ATOM 725 N ALA 88 -4.717 1.104 -6.727 1.00 0.00 ATOM 726 CA ALA 88 -5.714 0.260 -7.387 1.00 0.00 ATOM 727 CB ALA 88 -5.317 0.013 -8.834 1.00 0.00 ATOM 728 O ALA 88 -6.926 -1.658 -6.603 1.00 0.00 ATOM 729 C ALA 88 -5.837 -1.090 -6.683 1.00 0.00 ATOM 730 N LYS 89 -4.723 -1.587 -6.154 1.00 0.00 ATOM 731 CA LYS 89 -4.724 -2.867 -5.456 1.00 0.00 ATOM 732 CB LYS 89 -3.279 -3.237 -5.122 1.00 0.00 ATOM 733 CG LYS 89 -2.426 -3.569 -6.337 1.00 0.00 ATOM 734 CD LYS 89 -1.004 -3.922 -5.933 1.00 0.00 ATOM 735 CE LYS 89 -0.152 -4.254 -7.148 1.00 0.00 ATOM 736 NZ LYS 89 1.253 -4.574 -6.772 1.00 0.00 ATOM 737 O LYS 89 -6.318 -3.718 -3.880 1.00 0.00 ATOM 738 C LYS 89 -5.542 -2.809 -4.166 1.00 0.00 ATOM 739 N VAL 90 -5.439 -1.706 -3.403 1.00 0.00 ATOM 740 CA VAL 90 -6.250 -1.552 -2.173 1.00 0.00 ATOM 741 CB VAL 90 -5.855 -0.260 -1.435 1.00 0.00 ATOM 742 CG1 VAL 90 -6.774 -0.022 -0.247 1.00 0.00 ATOM 743 CG2 VAL 90 -4.424 -0.354 -0.926 1.00 0.00 ATOM 744 O VAL 90 -8.561 -2.017 -1.767 1.00 0.00 ATOM 745 C VAL 90 -7.732 -1.494 -2.515 1.00 0.00 ATOM 746 N LYS 91 -8.018 -0.880 -3.618 1.00 0.00 ATOM 747 CA LYS 91 -9.415 -0.801 -4.024 1.00 0.00 ATOM 748 CB LYS 91 -9.579 0.126 -5.230 1.00 0.00 ATOM 749 CG LYS 91 -11.022 0.338 -5.660 1.00 0.00 ATOM 750 CD LYS 91 -11.118 1.344 -6.794 1.00 0.00 ATOM 751 CE LYS 91 -12.562 1.559 -7.220 1.00 0.00 ATOM 752 NZ LYS 91 -12.674 2.556 -8.320 1.00 0.00 ATOM 753 O LYS 91 -11.098 -2.510 -3.945 1.00 0.00 ATOM 754 C LYS 91 -9.969 -2.193 -4.320 1.00 0.00 ATOM 755 N GLU 92 -9.168 -3.046 -4.980 1.00 0.00 ATOM 756 CA GLU 92 -9.583 -4.412 -5.306 1.00 0.00 ATOM 757 CB GLU 92 -8.564 -5.080 -6.219 1.00 0.00 ATOM 758 CG GLU 92 -9.113 -6.273 -6.982 1.00 0.00 ATOM 759 CD GLU 92 -8.070 -6.928 -7.881 1.00 0.00 ATOM 760 OE1 GLU 92 -7.151 -6.222 -8.362 1.00 0.00 ATOM 761 OE2 GLU 92 -8.177 -8.156 -8.106 1.00 0.00 ATOM 762 O GLU 92 -10.757 -6.023 -3.945 1.00 0.00 ATOM 763 C GLU 92 -9.812 -5.230 -4.028 1.00 0.00 ATOM 764 N LYS 93 -8.976 -5.011 -3.013 1.00 0.00 ATOM 765 CA LYS 93 -9.143 -5.720 -1.744 1.00 0.00 ATOM 766 CB LYS 93 -7.957 -5.392 -0.834 1.00 0.00 ATOM 767 CG LYS 93 -7.975 -6.126 0.497 1.00 0.00 ATOM 768 CD LYS 93 -7.797 -7.622 0.305 1.00 0.00 ATOM 769 CE LYS 93 -7.696 -8.342 1.641 1.00 0.00 ATOM 770 NZ LYS 93 -7.531 -9.812 1.468 1.00 0.00 ATOM 771 O LYS 93 -11.068 -6.117 -0.413 1.00 0.00 ATOM 772 C LYS 93 -10.413 -5.298 -1.049 1.00 0.00 ATOM 773 N LEU 94 -10.743 -4.014 -1.160 1.00 0.00 ATOM 774 CA LEU 94 -12.018 -3.482 -0.687 1.00 0.00 ATOM 775 CB LEU 94 -12.005 -1.959 -0.785 1.00 0.00 ATOM 776 CG LEU 94 -13.203 -1.281 -0.140 1.00 0.00 ATOM 777 CD1 LEU 94 -13.370 -1.733 1.311 1.00 0.00 ATOM 778 CD2 LEU 94 -12.985 0.221 -0.206 1.00 0.00 ATOM 779 O LEU 94 -14.327 -4.053 -0.898 1.00 0.00 ATOM 780 C LEU 94 -13.231 -4.042 -1.431 1.00 0.00 ATOM 781 N GLY 95 -13.005 -4.507 -2.660 1.00 0.00 ATOM 782 CA GLY 95 -14.067 -5.072 -3.474 1.00 0.00 ATOM 783 O GLY 95 -15.713 -4.502 -5.144 1.00 0.00 ATOM 784 C GLY 95 -14.780 -4.115 -4.420 1.00 0.00 ATOM 785 N VAL 96 -14.288 -2.881 -4.480 1.00 0.00 ATOM 786 CA VAL 96 -14.899 -1.867 -5.336 1.00 0.00 ATOM 787 CB VAL 96 -14.481 -0.432 -4.852 1.00 0.00 ATOM 788 CG1 VAL 96 -15.093 0.625 -5.752 1.00 0.00 ATOM 789 CG2 VAL 96 -14.940 -0.222 -3.436 1.00 0.00 ATOM 790 O VAL 96 -15.490 -1.975 -7.648 1.00 0.00 ATOM 791 C VAL 96 -14.612 -2.159 -6.799 1.00 0.00 ATOM 792 N LYS 97 -13.414 -2.667 -7.101 1.00 0.00 ATOM 793 CA LYS 97 -13.069 -2.998 -8.498 1.00 0.00 ATOM 794 CB LYS 97 -11.647 -3.558 -8.578 1.00 0.00 ATOM 795 CG LYS 97 -11.180 -3.864 -9.992 1.00 0.00 ATOM 796 CD LYS 97 -9.739 -4.346 -10.006 1.00 0.00 ATOM 797 CE LYS 97 -9.275 -4.661 -11.419 1.00 0.00 ATOM 798 NZ LYS 97 -7.863 -5.132 -11.448 1.00 0.00 ATOM 799 O LYS 97 -14.642 -3.848 -10.103 1.00 0.00 ATOM 800 C LYS 97 -14.040 -4.046 -9.037 1.00 0.00 TER END