PFRMAT TS TARGET T0404 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 T0404 model 4 Thu May 15 16:24:13 2008 MODEL 4 PARENT N/A ATOM 2 N ASN 6 -9.405 5.171 9.684 1.00 0.00 ATOM 3 CA ASN 6 -8.336 5.922 9.029 1.00 0.00 ATOM 4 CB ASN 6 -6.967 5.449 9.523 1.00 0.00 ATOM 5 CG ASN 6 -6.693 5.861 10.956 1.00 0.00 ATOM 6 ND2 ASN 6 -5.764 5.164 11.603 1.00 0.00 ATOM 7 OD1 ASN 6 -7.307 6.792 11.474 1.00 0.00 ATOM 8 O ASN 6 -8.848 4.753 6.988 1.00 0.00 ATOM 9 C ASN 6 -8.360 5.755 7.516 1.00 0.00 ATOM 10 N LYS 7 -7.908 6.780 6.825 1.00 0.00 ATOM 11 CA LYS 7 -7.748 6.710 5.387 1.00 0.00 ATOM 12 CB LYS 7 -8.171 8.028 4.736 1.00 0.00 ATOM 13 CG LYS 7 -8.092 8.025 3.218 1.00 0.00 ATOM 14 CD LYS 7 -8.503 9.369 2.640 1.00 0.00 ATOM 15 CE LYS 7 -8.405 9.371 1.123 1.00 0.00 ATOM 16 NZ LYS 7 -8.826 10.675 0.540 1.00 0.00 ATOM 17 O LYS 7 -5.358 7.113 5.561 1.00 0.00 ATOM 18 C LYS 7 -6.269 6.436 5.073 1.00 0.00 ATOM 19 N LEU 8 -6.042 5.403 4.280 1.00 0.00 ATOM 20 CA LEU 8 -4.706 4.986 3.876 1.00 0.00 ATOM 21 CB LEU 8 -4.525 3.482 4.092 1.00 0.00 ATOM 22 CG LEU 8 -4.690 2.979 5.527 1.00 0.00 ATOM 23 CD1 LEU 8 -4.555 1.465 5.585 1.00 0.00 ATOM 24 CD2 LEU 8 -3.629 3.586 6.434 1.00 0.00 ATOM 25 O LEU 8 -5.413 5.020 1.582 1.00 0.00 ATOM 26 C LEU 8 -4.525 5.319 2.374 1.00 0.00 ATOM 27 N VAL 9 -3.520 6.125 2.048 1.00 0.00 ATOM 28 CA VAL 9 -3.203 6.454 0.651 1.00 0.00 ATOM 29 CB VAL 9 -3.098 7.977 0.439 1.00 0.00 ATOM 30 CG1 VAL 9 -2.721 8.289 -1.000 1.00 0.00 ATOM 31 CG2 VAL 9 -4.426 8.650 0.746 1.00 0.00 ATOM 32 O VAL 9 -0.928 5.995 1.147 1.00 0.00 ATOM 33 C VAL 9 -1.873 5.778 0.389 1.00 0.00 ATOM 34 N ILE 10 -1.755 5.050 -0.708 1.00 0.00 ATOM 35 CA ILE 10 -0.494 4.400 -1.036 1.00 0.00 ATOM 36 CB ILE 10 -0.591 2.871 -0.884 1.00 0.00 ATOM 37 CG1 ILE 10 -0.934 2.499 0.560 1.00 0.00 ATOM 38 CG2 ILE 10 0.732 2.214 -1.249 1.00 0.00 ATOM 39 CD1 ILE 10 -1.253 1.032 0.754 1.00 0.00 ATOM 40 O ILE 10 -1.050 4.659 -3.377 1.00 0.00 ATOM 41 C ILE 10 -0.165 4.756 -2.506 1.00 0.00 ATOM 42 N VAL 11 1.052 5.229 -2.762 1.00 0.00 ATOM 43 CA VAL 11 1.479 5.553 -4.136 1.00 0.00 ATOM 44 CB VAL 11 2.161 6.932 -4.206 1.00 0.00 ATOM 45 CG1 VAL 11 2.618 7.229 -5.627 1.00 0.00 ATOM 46 CG2 VAL 11 1.196 8.025 -3.773 1.00 0.00 ATOM 47 O VAL 11 3.582 4.429 -4.032 1.00 0.00 ATOM 48 C VAL 11 2.455 4.457 -4.525 1.00 0.00 ATOM 49 N THR 12 2.032 3.583 -5.429 1.00 0.00 ATOM 50 CA THR 12 2.821 2.424 -5.818 1.00 0.00 ATOM 51 CB THR 12 2.090 1.108 -5.487 1.00 0.00 ATOM 52 CG2 THR 12 1.768 1.036 -4.004 1.00 0.00 ATOM 53 OG1 THR 12 0.868 1.038 -6.231 1.00 0.00 ATOM 54 O THR 12 2.573 3.029 -8.097 1.00 0.00 ATOM 55 C THR 12 3.161 2.329 -7.287 1.00 0.00 ATOM 56 N GLU 13 4.133 1.468 -7.617 1.00 0.00 ATOM 57 CA GLU 13 4.527 1.219 -9.010 1.00 0.00 ATOM 58 CB GLU 13 5.816 0.396 -9.064 1.00 0.00 ATOM 59 CG GLU 13 6.357 0.182 -10.468 1.00 0.00 ATOM 60 CD GLU 13 7.658 -0.595 -10.478 1.00 0.00 ATOM 61 OE1 GLU 13 8.139 -0.964 -9.386 1.00 0.00 ATOM 62 OE2 GLU 13 8.199 -0.835 -11.579 1.00 0.00 ATOM 63 O GLU 13 2.861 -0.551 -8.975 1.00 0.00 ATOM 64 C GLU 13 3.324 0.449 -9.580 1.00 0.00 ATOM 65 N LYS 14 2.805 0.895 -10.744 1.00 0.00 ATOM 66 CA LYS 14 1.649 0.286 -11.399 1.00 0.00 ATOM 67 CB LYS 14 1.514 0.802 -12.834 1.00 0.00 ATOM 68 CG LYS 14 0.316 0.244 -13.583 1.00 0.00 ATOM 69 CD LYS 14 0.199 0.855 -14.970 1.00 0.00 ATOM 70 CE LYS 14 -0.981 0.273 -15.732 1.00 0.00 ATOM 71 NZ LYS 14 -1.110 0.865 -17.093 1.00 0.00 ATOM 72 O LYS 14 0.553 -1.797 -11.328 1.00 0.00 ATOM 73 C LYS 14 1.609 -1.210 -11.542 1.00 0.00 ATOM 74 N VAL 15 2.743 -1.842 -11.842 1.00 0.00 ATOM 75 CA VAL 15 2.762 -3.294 -12.028 1.00 0.00 ATOM 76 CB VAL 15 4.141 -3.783 -12.507 1.00 0.00 ATOM 77 CG1 VAL 15 4.498 -3.148 -13.843 1.00 0.00 ATOM 78 CG2 VAL 15 5.218 -3.416 -11.497 1.00 0.00 ATOM 79 O VAL 15 2.110 -5.295 -10.841 1.00 0.00 ATOM 80 C VAL 15 2.450 -4.107 -10.761 1.00 0.00 ATOM 81 N LEU 16 2.504 -3.457 -9.608 1.00 0.00 ATOM 82 CA LEU 16 2.219 -4.120 -8.328 1.00 0.00 ATOM 83 CB LEU 16 3.046 -3.494 -7.203 1.00 0.00 ATOM 84 CG LEU 16 4.565 -3.606 -7.336 1.00 0.00 ATOM 85 CD1 LEU 16 5.259 -2.857 -6.209 1.00 0.00 ATOM 86 CD2 LEU 16 5.004 -5.061 -7.282 1.00 0.00 ATOM 87 O LEU 16 0.383 -4.692 -6.928 1.00 0.00 ATOM 88 C LEU 16 0.769 -4.038 -7.894 1.00 0.00 ATOM 89 N LEU 17 -0.053 -3.309 -8.659 1.00 0.00 ATOM 90 CA LEU 17 -1.455 -3.110 -8.312 1.00 0.00 ATOM 91 CB LEU 17 -2.177 -2.340 -9.420 1.00 0.00 ATOM 92 CG LEU 17 -3.667 -2.072 -9.198 1.00 0.00 ATOM 93 CD1 LEU 17 -3.881 -1.220 -7.957 1.00 0.00 ATOM 94 CD2 LEU 17 -4.264 -1.337 -10.389 1.00 0.00 ATOM 95 O LEU 17 -2.874 -4.597 -7.085 1.00 0.00 ATOM 96 C LEU 17 -2.230 -4.422 -8.108 1.00 0.00 ATOM 97 N LYS 18 -2.132 -5.362 -9.039 1.00 0.00 ATOM 98 CA LYS 18 -2.863 -6.605 -8.884 1.00 0.00 ATOM 99 CB LYS 18 -2.617 -7.525 -10.081 1.00 0.00 ATOM 100 CG LYS 18 -3.261 -7.049 -11.373 1.00 0.00 ATOM 101 CD LYS 18 -2.978 -8.009 -12.517 1.00 0.00 ATOM 102 CE LYS 18 -3.601 -7.522 -13.813 1.00 0.00 ATOM 103 NZ LYS 18 -3.305 -8.435 -14.951 1.00 0.00 ATOM 104 O LYS 18 -3.413 -8.002 -7.011 1.00 0.00 ATOM 105 C LYS 18 -2.511 -7.434 -7.645 1.00 0.00 ATOM 106 N LYS 19 -1.225 -7.486 -7.299 1.00 0.00 ATOM 107 CA LYS 19 -0.729 -8.210 -6.111 1.00 0.00 ATOM 108 CB LYS 19 0.800 -8.185 -6.066 1.00 0.00 ATOM 109 CG LYS 19 1.466 -9.024 -7.145 1.00 0.00 ATOM 110 CD LYS 19 2.981 -8.946 -7.048 1.00 0.00 ATOM 111 CE LYS 19 3.647 -9.745 -8.157 1.00 0.00 ATOM 112 NZ LYS 19 5.132 -9.665 -8.085 1.00 0.00 ATOM 113 O LYS 19 -1.628 -8.291 -3.887 1.00 0.00 ATOM 114 C LYS 19 -1.250 -7.580 -4.822 1.00 0.00 ATOM 115 N VAL 20 -1.101 -6.258 -4.727 1.00 0.00 ATOM 116 CA VAL 20 -1.582 -5.466 -3.583 1.00 0.00 ATOM 117 CB VAL 20 -1.332 -3.960 -3.794 1.00 0.00 ATOM 118 CG1 VAL 20 -2.008 -3.149 -2.700 1.00 0.00 ATOM 119 CG2 VAL 20 0.159 -3.659 -3.762 1.00 0.00 ATOM 120 O VAL 20 -3.585 -6.051 -2.364 1.00 0.00 ATOM 121 C VAL 20 -3.097 -5.715 -3.438 1.00 0.00 ATOM 122 N ALA 21 -3.820 -5.647 -4.556 1.00 0.00 ATOM 123 CA ALA 21 -5.276 -5.849 -4.588 1.00 0.00 ATOM 124 CB ALA 21 -5.807 -5.657 -6.000 1.00 0.00 ATOM 125 O ALA 21 -6.571 -7.414 -3.400 1.00 0.00 ATOM 126 C ALA 21 -5.647 -7.238 -4.135 1.00 0.00 ATOM 127 N LYS 22 -4.951 -8.238 -4.618 1.00 0.00 ATOM 128 CA LYS 22 -5.257 -9.586 -4.208 1.00 0.00 ATOM 129 CB LYS 22 -4.368 -10.587 -4.946 1.00 0.00 ATOM 130 CG LYS 22 -4.651 -12.040 -4.603 1.00 0.00 ATOM 131 CD LYS 22 -3.782 -12.980 -5.425 1.00 0.00 ATOM 132 CE LYS 22 -4.030 -14.431 -5.048 1.00 0.00 ATOM 133 NZ LYS 22 -3.168 -15.362 -5.825 1.00 0.00 ATOM 134 O LYS 22 -5.905 -10.244 -1.968 1.00 0.00 ATOM 135 C LYS 22 -5.026 -9.754 -2.693 1.00 0.00 ATOM 136 N ILE 23 -3.879 -9.280 -2.208 1.00 0.00 ATOM 137 CA ILE 23 -3.510 -9.401 -0.802 1.00 0.00 ATOM 138 CB ILE 23 -2.106 -8.829 -0.536 1.00 0.00 ATOM 139 CG1 ILE 23 -1.048 -9.641 -1.286 1.00 0.00 ATOM 140 CG2 ILE 23 -1.785 -8.874 0.950 1.00 0.00 ATOM 141 CD1 ILE 23 -0.982 -11.093 -0.867 1.00 0.00 ATOM 142 O ILE 23 -4.816 -9.165 1.172 1.00 0.00 ATOM 143 C ILE 23 -4.467 -8.662 0.117 1.00 0.00 ATOM 144 N ILE 24 -4.904 -7.473 -0.288 1.00 0.00 ATOM 145 CA ILE 24 -5.835 -6.677 0.519 1.00 0.00 ATOM 146 CB ILE 24 -6.039 -5.272 -0.076 1.00 0.00 ATOM 147 CG1 ILE 24 -6.678 -4.343 0.957 1.00 0.00 ATOM 148 CG2 ILE 24 -6.950 -5.337 -1.293 1.00 0.00 ATOM 149 CD1 ILE 24 -6.658 -2.883 0.560 1.00 0.00 ATOM 150 O ILE 24 -7.899 -7.355 1.599 1.00 0.00 ATOM 151 C ILE 24 -7.203 -7.387 0.576 1.00 0.00 ATOM 152 N GLU 25 -7.580 -8.061 -0.506 1.00 0.00 ATOM 153 CA GLU 25 -8.842 -8.801 -0.499 1.00 0.00 ATOM 154 CB GLU 25 -9.100 -9.433 -1.868 1.00 0.00 ATOM 155 CG GLU 25 -9.446 -8.432 -2.959 1.00 0.00 ATOM 156 CD GLU 25 -9.574 -9.080 -4.324 1.00 0.00 ATOM 157 OE1 GLU 25 -9.320 -10.298 -4.430 1.00 0.00 ATOM 158 OE2 GLU 25 -9.927 -8.368 -5.287 1.00 0.00 ATOM 159 O GLU 25 -9.720 -10.162 1.310 1.00 0.00 ATOM 160 C GLU 25 -8.762 -9.914 0.569 1.00 0.00 ATOM 161 N GLU 26 -7.627 -10.592 0.649 1.00 0.00 ATOM 162 CA GLU 26 -7.455 -11.638 1.651 1.00 0.00 ATOM 163 CB GLU 26 -6.033 -12.200 1.598 1.00 0.00 ATOM 164 CG GLU 26 -5.741 -13.038 0.363 1.00 0.00 ATOM 165 CD GLU 26 -4.292 -13.475 0.284 1.00 0.00 ATOM 166 OE1 GLU 26 -3.499 -13.062 1.156 1.00 0.00 ATOM 167 OE2 GLU 26 -3.950 -14.229 -0.650 1.00 0.00 ATOM 168 O GLU 26 -8.314 -11.828 3.886 1.00 0.00 ATOM 169 C GLU 26 -7.693 -11.136 3.093 1.00 0.00 ATOM 170 N ALA 27 -7.178 -9.955 3.440 1.00 0.00 ATOM 171 CA ALA 27 -7.363 -9.423 4.794 1.00 0.00 ATOM 172 CB ALA 27 -6.442 -8.235 5.027 1.00 0.00 ATOM 173 O ALA 27 -9.138 -8.564 6.205 1.00 0.00 ATOM 174 C ALA 27 -8.797 -8.938 5.070 1.00 0.00 ATOM 175 N GLY 28 -9.641 -8.932 4.041 1.00 0.00 ATOM 176 CA GLY 28 -11.022 -8.509 4.249 1.00 0.00 ATOM 177 O GLY 28 -12.632 -6.751 4.034 1.00 0.00 ATOM 178 C GLY 28 -11.490 -7.143 3.768 1.00 0.00 ATOM 179 N ALA 29 -10.635 -6.431 3.043 1.00 0.00 ATOM 180 CA ALA 29 -10.995 -5.124 2.529 1.00 0.00 ATOM 181 CB ALA 29 -9.768 -4.416 1.976 1.00 0.00 ATOM 182 O ALA 29 -11.805 -6.099 0.500 1.00 0.00 ATOM 183 C ALA 29 -12.018 -5.319 1.423 1.00 0.00 ATOM 184 N THR 30 -13.137 -4.614 1.504 1.00 0.00 ATOM 185 CA THR 30 -14.145 -4.800 0.472 1.00 0.00 ATOM 186 CB THR 30 -15.559 -4.903 1.074 1.00 0.00 ATOM 187 CG2 THR 30 -15.638 -6.064 2.053 1.00 0.00 ATOM 188 OG1 THR 30 -15.874 -3.689 1.769 1.00 0.00 ATOM 189 O THR 30 -15.037 -3.928 -1.574 1.00 0.00 ATOM 190 C THR 30 -14.293 -3.727 -0.605 1.00 0.00 ATOM 191 N GLY 31 -13.590 -2.609 -0.443 1.00 0.00 ATOM 192 CA GLY 31 -13.647 -1.521 -1.415 1.00 0.00 ATOM 193 O GLY 31 -11.580 -0.750 -0.545 1.00 0.00 ATOM 194 C GLY 31 -12.304 -0.823 -1.521 1.00 0.00 ATOM 195 N TYR 32 -11.991 -0.279 -2.688 1.00 0.00 ATOM 196 CA TYR 32 -10.710 0.392 -2.932 1.00 0.00 ATOM 197 CB TYR 32 -9.616 -0.633 -3.233 1.00 0.00 ATOM 198 CG TYR 32 -9.848 -1.423 -4.501 1.00 0.00 ATOM 199 CD1 TYR 32 -9.328 -0.991 -5.713 1.00 0.00 ATOM 200 CD2 TYR 32 -10.587 -2.599 -4.480 1.00 0.00 ATOM 201 CE1 TYR 32 -9.536 -1.706 -6.878 1.00 0.00 ATOM 202 CE2 TYR 32 -10.805 -3.327 -5.634 1.00 0.00 ATOM 203 CZ TYR 32 -10.272 -2.870 -6.840 1.00 0.00 ATOM 204 OH TYR 32 -10.480 -3.584 -7.996 1.00 0.00 ATOM 205 O TYR 32 -11.628 0.948 -5.044 1.00 0.00 ATOM 206 C TYR 32 -10.910 1.310 -4.122 1.00 0.00 ATOM 207 N THR 33 -10.368 2.519 -4.058 1.00 0.00 ATOM 208 CA THR 33 -10.470 3.470 -5.167 1.00 0.00 ATOM 209 CB THR 33 -11.071 4.811 -4.706 1.00 0.00 ATOM 210 CG2 THR 33 -11.162 5.782 -5.873 1.00 0.00 ATOM 211 OG1 THR 33 -12.385 4.594 -4.180 1.00 0.00 ATOM 212 O THR 33 -8.115 3.826 -4.848 1.00 0.00 ATOM 213 C THR 33 -9.045 3.656 -5.654 1.00 0.00 ATOM 214 N VAL 34 -8.873 3.646 -6.965 1.00 0.00 ATOM 215 CA VAL 34 -7.559 3.760 -7.563 1.00 0.00 ATOM 216 CB VAL 34 -7.167 2.474 -8.313 1.00 0.00 ATOM 217 CG1 VAL 34 -5.800 2.631 -8.961 1.00 0.00 ATOM 218 CG2 VAL 34 -7.113 1.294 -7.355 1.00 0.00 ATOM 219 O VAL 34 -8.387 5.116 -9.453 1.00 0.00 ATOM 220 C VAL 34 -7.496 4.930 -8.585 1.00 0.00 ATOM 221 N VAL 35 -6.479 5.765 -8.439 1.00 0.00 ATOM 222 CA VAL 35 -6.291 6.889 -9.339 1.00 0.00 ATOM 223 CB VAL 35 -6.309 8.230 -8.581 1.00 0.00 ATOM 224 CG1 VAL 35 -6.056 9.386 -9.536 1.00 0.00 ATOM 225 CG2 VAL 35 -7.660 8.445 -7.912 1.00 0.00 ATOM 226 O VAL 35 -3.968 6.315 -9.470 1.00 0.00 ATOM 227 C VAL 35 -4.945 6.760 -10.055 1.00 0.00 ATOM 228 N ASP 36 -4.919 7.079 -11.343 1.00 0.00 ATOM 229 CA ASP 36 -3.668 7.037 -12.080 1.00 0.00 ATOM 230 CB ASP 36 -3.920 6.667 -13.543 1.00 0.00 ATOM 231 CG ASP 36 -4.294 5.208 -13.718 1.00 0.00 ATOM 232 OD1 ASP 36 -4.075 4.421 -12.774 1.00 0.00 ATOM 233 OD2 ASP 36 -4.807 4.853 -14.799 1.00 0.00 ATOM 234 O ASP 36 -3.815 9.443 -12.225 1.00 0.00 ATOM 235 C ASP 36 -3.102 8.463 -11.946 1.00 0.00 ATOM 236 N THR 37 -1.850 8.573 -11.493 1.00 0.00 ATOM 237 CA THR 37 -1.246 9.868 -11.253 1.00 0.00 ATOM 238 CB THR 37 -1.132 10.169 -9.748 1.00 0.00 ATOM 239 CG2 THR 37 -2.495 10.064 -9.079 1.00 0.00 ATOM 240 OG1 THR 37 -0.241 9.227 -9.136 1.00 0.00 ATOM 241 O THR 37 0.623 8.879 -12.297 1.00 0.00 ATOM 242 C THR 37 0.133 9.893 -11.849 1.00 0.00 ATOM 243 N GLY 38 0.743 11.065 -11.895 1.00 0.00 ATOM 244 CA GLY 38 2.108 11.194 -12.385 1.00 0.00 ATOM 245 O GLY 38 2.754 12.379 -10.370 1.00 0.00 ATOM 246 C GLY 38 3.031 11.494 -11.201 1.00 0.00 ATOM 247 N GLY 39 4.095 10.715 -11.094 1.00 0.00 ATOM 248 CA GLY 39 5.033 10.938 -10.025 1.00 0.00 ATOM 249 O GLY 39 6.868 11.318 -11.518 1.00 0.00 ATOM 250 C GLY 39 6.304 11.613 -10.464 1.00 0.00 ATOM 251 N LYS 40 6.763 12.557 -9.665 1.00 0.00 ATOM 252 CA LYS 40 8.007 13.232 -9.982 1.00 0.00 ATOM 253 CB LYS 40 7.773 14.734 -10.157 1.00 0.00 ATOM 254 CG LYS 40 6.910 15.091 -11.357 1.00 0.00 ATOM 255 CD LYS 40 6.791 16.597 -11.523 1.00 0.00 ATOM 256 CE LYS 40 5.898 16.954 -12.699 1.00 0.00 ATOM 257 NZ LYS 40 5.792 18.427 -12.889 1.00 0.00 ATOM 258 O LYS 40 8.474 12.967 -7.639 1.00 0.00 ATOM 259 C LYS 40 8.916 12.953 -8.800 1.00 0.00 ATOM 260 N GLY 41 10.155 12.596 -9.086 1.00 0.00 ATOM 261 CA GLY 41 11.062 12.370 -7.985 1.00 0.00 ATOM 262 O GLY 41 12.716 11.069 -9.104 1.00 0.00 ATOM 263 C GLY 41 12.034 11.231 -8.094 1.00 0.00 ATOM 264 N SER 42 12.143 10.487 -7.013 1.00 0.00 ATOM 265 CA SER 42 13.052 9.365 -6.930 1.00 0.00 ATOM 266 CB SER 42 12.760 8.529 -5.683 1.00 0.00 ATOM 267 OG SER 42 12.991 9.277 -4.502 1.00 0.00 ATOM 268 O SER 42 11.902 7.794 -8.352 1.00 0.00 ATOM 269 C SER 42 12.942 8.430 -8.149 1.00 0.00 ATOM 270 N ARG 43 15.466 5.682 -10.810 1.00 0.00 ATOM 271 CA ARG 43 16.757 5.078 -11.158 1.00 0.00 ATOM 272 CB ARG 43 16.581 3.597 -11.499 1.00 0.00 ATOM 273 CG ARG 43 17.886 2.859 -11.751 1.00 0.00 ATOM 274 CD ARG 43 17.640 1.395 -12.078 1.00 0.00 ATOM 275 NE ARG 43 17.007 0.686 -10.968 1.00 0.00 ATOM 276 CZ ARG 43 17.666 0.198 -9.922 1.00 0.00 ATOM 277 NH1 ARG 43 17.007 -0.433 -8.959 1.00 0.00 ATOM 278 NH2 ARG 43 18.981 0.345 -9.839 1.00 0.00 ATOM 279 O ARG 43 16.621 6.159 -13.309 1.00 0.00 ATOM 280 C ARG 43 17.343 5.808 -12.374 1.00 0.00 ATOM 281 N ASN 44 18.627 6.141 -12.295 1.00 0.00 ATOM 282 CA ASN 44 19.270 6.821 -13.398 1.00 0.00 ATOM 283 CB ASN 44 18.603 6.447 -14.722 1.00 0.00 ATOM 284 CG ASN 44 18.826 4.994 -15.096 1.00 0.00 ATOM 285 ND2 ASN 44 17.863 4.410 -15.800 1.00 0.00 ATOM 286 OD1 ASN 44 19.852 4.405 -14.753 1.00 0.00 ATOM 287 O ASN 44 19.930 8.988 -14.084 1.00 0.00 ATOM 288 C ASN 44 19.228 8.318 -13.316 1.00 0.00 ATOM 289 N VAL 45 18.410 8.849 -12.406 1.00 0.00 ATOM 290 CA VAL 45 18.278 10.293 -12.231 1.00 0.00 ATOM 291 CB VAL 45 16.844 10.770 -12.529 1.00 0.00 ATOM 292 CG1 VAL 45 16.476 10.476 -13.975 1.00 0.00 ATOM 293 CG2 VAL 45 15.849 10.059 -11.625 1.00 0.00 ATOM 294 O VAL 45 18.528 9.958 -9.895 1.00 0.00 ATOM 295 C VAL 45 18.598 10.739 -10.838 1.00 0.00 ATOM 296 N ARG 46 18.840 12.034 -10.694 1.00 0.00 ATOM 297 CA ARG 46 19.170 12.607 -9.402 1.00 0.00 ATOM 298 CB ARG 46 20.655 12.976 -9.344 1.00 0.00 ATOM 299 CG ARG 46 21.595 11.784 -9.419 1.00 0.00 ATOM 300 CD ARG 46 21.466 10.902 -8.188 1.00 0.00 ATOM 301 NE ARG 46 22.366 9.751 -8.244 1.00 0.00 ATOM 302 CZ ARG 46 22.043 8.577 -8.775 1.00 0.00 ATOM 303 NH1 ARG 46 22.926 7.588 -8.779 1.00 0.00 ATOM 304 NH2 ARG 46 20.840 8.393 -9.298 1.00 0.00 ATOM 305 O ARG 46 18.610 14.570 -8.108 1.00 0.00 ATOM 306 C ARG 46 18.365 13.879 -9.112 1.00 0.00 ATOM 307 N SER 47 17.337 14.144 -9.911 1.00 0.00 ATOM 308 CA SER 47 16.603 15.377 -9.716 1.00 0.00 ATOM 309 CB SER 47 17.308 16.538 -10.421 1.00 0.00 ATOM 310 OG SER 47 17.250 16.390 -11.829 1.00 0.00 ATOM 311 O SER 47 14.783 14.711 -11.104 1.00 0.00 ATOM 312 C SER 47 15.180 15.454 -10.214 1.00 0.00 ATOM 313 N THR 48 14.404 16.328 -9.582 1.00 0.00 ATOM 314 CA THR 48 13.073 16.622 -10.084 1.00 0.00 ATOM 315 CB THR 48 12.117 17.024 -8.946 1.00 0.00 ATOM 316 CG2 THR 48 11.821 15.830 -8.051 1.00 0.00 ATOM 317 OG1 THR 48 12.717 18.058 -8.156 1.00 0.00 ATOM 318 O THR 48 14.478 18.461 -10.807 1.00 0.00 ATOM 319 C THR 48 13.457 17.767 -11.018 1.00 0.00 ATOM 320 N GLY 49 13.909 19.773 -16.854 1.00 0.00 ATOM 321 CA GLY 49 13.473 20.772 -17.807 1.00 0.00 ATOM 322 O GLY 49 14.614 21.601 -19.746 1.00 0.00 ATOM 323 C GLY 49 14.072 20.636 -19.193 1.00 0.00 ATOM 324 N LYS 50 14.034 19.428 -19.738 1.00 0.00 ATOM 325 CA LYS 50 14.566 19.204 -21.071 1.00 0.00 ATOM 326 CB LYS 50 15.039 17.756 -21.222 1.00 0.00 ATOM 327 CG LYS 50 16.113 17.347 -20.228 1.00 0.00 ATOM 328 CD LYS 50 17.395 18.134 -20.446 1.00 0.00 ATOM 329 CE LYS 50 18.521 17.606 -19.573 1.00 0.00 ATOM 330 NZ LYS 50 19.778 18.383 -19.758 1.00 0.00 ATOM 331 O LYS 50 12.257 19.479 -21.678 1.00 0.00 ATOM 332 C LYS 50 13.437 19.496 -22.059 1.00 0.00 ATOM 333 N PRO 51 13.790 19.761 -23.316 1.00 0.00 ATOM 334 CA PRO 51 12.788 20.095 -24.318 1.00 0.00 ATOM 335 CB PRO 51 13.602 20.673 -25.477 1.00 0.00 ATOM 336 CG PRO 51 14.982 20.148 -25.262 1.00 0.00 ATOM 337 CD PRO 51 15.151 20.015 -23.774 1.00 0.00 ATOM 338 O PRO 51 10.736 19.079 -25.013 1.00 0.00 ATOM 339 C PRO 51 11.944 18.938 -24.824 1.00 0.00 ATOM 340 N ASN 52 12.585 17.795 -25.039 1.00 0.00 ATOM 341 CA ASN 52 11.903 16.613 -25.543 1.00 0.00 ATOM 342 CB ASN 52 12.670 16.014 -26.724 1.00 0.00 ATOM 343 CG ASN 52 12.688 16.931 -27.931 1.00 0.00 ATOM 344 ND2 ASN 52 13.860 17.474 -28.243 1.00 0.00 ATOM 345 OD1 ASN 52 11.661 17.147 -28.574 1.00 0.00 ATOM 346 O ASN 52 10.808 14.676 -24.622 1.00 0.00 ATOM 347 C ASN 52 11.742 15.485 -24.520 1.00 0.00 ATOM 348 N THR 53 12.630 15.421 -23.536 1.00 0.00 ATOM 349 CA THR 53 12.503 14.401 -22.496 1.00 0.00 ATOM 350 CB THR 53 13.788 14.291 -21.652 1.00 0.00 ATOM 351 CG2 THR 53 14.979 13.961 -22.538 1.00 0.00 ATOM 352 OG1 THR 53 14.034 15.538 -20.989 1.00 0.00 ATOM 353 O THR 53 10.953 15.970 -21.522 1.00 0.00 ATOM 354 C THR 53 11.332 14.798 -21.588 1.00 0.00 ATOM 355 N SER 54 10.796 13.826 -20.866 1.00 0.00 ATOM 356 CA SER 54 9.694 14.045 -19.944 1.00 0.00 ATOM 357 CB SER 54 8.459 13.258 -20.388 1.00 0.00 ATOM 358 OG SER 54 7.967 13.739 -21.626 1.00 0.00 ATOM 359 O SER 54 10.865 12.519 -18.443 1.00 0.00 ATOM 360 C SER 54 10.183 13.549 -18.539 1.00 0.00 ATOM 361 N ASP 55 9.875 14.272 -17.458 1.00 0.00 ATOM 362 CA ASP 55 10.383 13.858 -16.139 1.00 0.00 ATOM 363 CB ASP 55 10.661 15.082 -15.264 1.00 0.00 ATOM 364 CG ASP 55 11.761 15.963 -15.827 1.00 0.00 ATOM 365 OD1 ASP 55 12.822 15.421 -16.200 1.00 0.00 ATOM 366 OD2 ASP 55 11.561 17.194 -15.892 1.00 0.00 ATOM 367 O ASP 55 9.922 12.502 -14.240 1.00 0.00 ATOM 368 C ASP 55 9.484 12.969 -15.289 1.00 0.00 ATOM 369 N THR 56 8.225 12.796 -15.680 1.00 0.00 ATOM 370 CA THR 56 7.328 11.986 -14.887 1.00 0.00 ATOM 371 CB THR 56 5.858 12.387 -15.112 1.00 0.00 ATOM 372 CG2 THR 56 5.653 13.860 -14.793 1.00 0.00 ATOM 373 OG1 THR 56 5.500 12.153 -16.479 1.00 0.00 ATOM 374 O THR 56 7.855 9.995 -16.163 1.00 0.00 ATOM 375 C THR 56 7.358 10.474 -15.142 1.00 0.00 ATOM 376 N ASP 57 6.808 9.734 -14.179 1.00 0.00 ATOM 377 CA ASP 57 6.690 8.294 -14.252 1.00 0.00 ATOM 378 CB ASP 57 7.702 7.627 -13.317 1.00 0.00 ATOM 379 CG ASP 57 7.707 6.116 -13.448 1.00 0.00 ATOM 380 OD1 ASP 57 6.857 5.581 -14.188 1.00 0.00 ATOM 381 OD2 ASP 57 8.564 5.469 -12.810 1.00 0.00 ATOM 382 O ASP 57 4.723 8.679 -12.930 1.00 0.00 ATOM 383 C ASP 57 5.251 8.015 -13.817 1.00 0.00 ATOM 384 N SER 58 4.554 7.168 -14.567 1.00 0.00 ATOM 385 CA SER 58 3.180 6.859 -14.171 1.00 0.00 ATOM 386 CB SER 58 2.502 5.980 -15.226 1.00 0.00 ATOM 387 OG SER 58 1.198 5.608 -14.818 1.00 0.00 ATOM 388 O SER 58 4.008 5.230 -12.597 1.00 0.00 ATOM 389 C SER 58 3.172 6.107 -12.826 1.00 0.00 ATOM 390 N ASN 59 2.247 6.468 -11.945 1.00 0.00 ATOM 391 CA ASN 59 2.100 5.802 -10.651 1.00 0.00 ATOM 392 CB ASN 59 2.611 6.702 -9.524 1.00 0.00 ATOM 393 CG ASN 59 4.112 6.895 -9.566 1.00 0.00 ATOM 394 ND2 ASN 59 4.572 8.053 -9.107 1.00 0.00 ATOM 395 OD1 ASN 59 4.850 6.013 -10.007 1.00 0.00 ATOM 396 O ASN 59 -0.255 5.952 -11.206 1.00 0.00 ATOM 397 C ASN 59 0.613 5.502 -10.442 1.00 0.00 ATOM 398 N VAL 60 0.338 4.706 -9.422 1.00 0.00 ATOM 399 CA VAL 60 -1.019 4.336 -9.093 1.00 0.00 ATOM 400 CB VAL 60 -1.251 2.824 -9.271 1.00 0.00 ATOM 401 CG1 VAL 60 -2.674 2.452 -8.876 1.00 0.00 ATOM 402 CG2 VAL 60 -1.033 2.418 -10.720 1.00 0.00 ATOM 403 O VAL 60 -0.440 4.383 -6.756 1.00 0.00 ATOM 404 C VAL 60 -1.251 4.726 -7.628 1.00 0.00 ATOM 405 N LYS 61 -2.306 5.491 -7.361 1.00 0.00 ATOM 406 CA LYS 61 -2.611 5.804 -5.974 1.00 0.00 ATOM 407 CB LYS 61 -2.958 7.286 -5.821 1.00 0.00 ATOM 408 CG LYS 61 -1.798 8.227 -6.097 1.00 0.00 ATOM 409 CD LYS 61 -2.239 9.680 -6.039 1.00 0.00 ATOM 410 CE LYS 61 -1.071 10.623 -6.276 1.00 0.00 ATOM 411 NZ LYS 61 -1.484 12.051 -6.199 1.00 0.00 ATOM 412 O LYS 61 -4.836 4.954 -6.158 1.00 0.00 ATOM 413 C LYS 61 -3.789 4.978 -5.506 1.00 0.00 ATOM 414 N PHE 62 -3.584 4.215 -4.426 1.00 0.00 ATOM 415 CA PHE 62 -4.679 3.418 -3.817 1.00 0.00 ATOM 416 CB PHE 62 -4.170 2.035 -3.408 1.00 0.00 ATOM 417 CG PHE 62 -5.214 1.173 -2.757 1.00 0.00 ATOM 418 CD1 PHE 62 -6.163 0.515 -3.519 1.00 0.00 ATOM 419 CD2 PHE 62 -5.249 1.021 -1.380 1.00 0.00 ATOM 420 CE1 PHE 62 -7.124 -0.278 -2.921 1.00 0.00 ATOM 421 CE2 PHE 62 -6.209 0.228 -0.782 1.00 0.00 ATOM 422 CZ PHE 62 -7.144 -0.419 -1.547 1.00 0.00 ATOM 423 O PHE 62 -4.407 4.730 -1.815 1.00 0.00 ATOM 424 C PHE 62 -5.203 4.158 -2.565 1.00 0.00 ATOM 425 N GLU 63 -6.534 4.207 -2.397 1.00 0.00 ATOM 426 CA GLU 63 -7.151 4.803 -1.206 1.00 0.00 ATOM 427 CB GLU 63 -7.859 6.112 -1.566 1.00 0.00 ATOM 428 CG GLU 63 -6.917 7.235 -1.963 1.00 0.00 ATOM 429 CD GLU 63 -7.647 8.535 -2.246 1.00 0.00 ATOM 430 OE1 GLU 63 -8.883 8.570 -2.075 1.00 0.00 ATOM 431 OE2 GLU 63 -6.981 9.517 -2.637 1.00 0.00 ATOM 432 O GLU 63 -9.085 3.340 -1.353 1.00 0.00 ATOM 433 C GLU 63 -8.174 3.822 -0.629 1.00 0.00 ATOM 434 N VAL 64 -7.961 3.446 0.633 1.00 0.00 ATOM 435 CA VAL 64 -8.900 2.603 1.352 1.00 0.00 ATOM 436 CB VAL 64 -8.308 1.208 1.629 1.00 0.00 ATOM 437 CG1 VAL 64 -7.071 1.319 2.507 1.00 0.00 ATOM 438 CG2 VAL 64 -9.325 0.329 2.340 1.00 0.00 ATOM 439 O VAL 64 -8.410 4.134 3.135 1.00 0.00 ATOM 440 C VAL 64 -9.197 3.323 2.677 1.00 0.00 ATOM 441 N LEU 65 -10.380 3.103 3.233 1.00 0.00 ATOM 442 CA LEU 65 -10.765 3.689 4.511 1.00 0.00 ATOM 443 CB LEU 65 -11.961 4.627 4.333 1.00 0.00 ATOM 444 CG LEU 65 -12.517 5.269 5.605 1.00 0.00 ATOM 445 CD1 LEU 65 -11.482 6.188 6.238 1.00 0.00 ATOM 446 CD2 LEU 65 -13.758 6.093 5.295 1.00 0.00 ATOM 447 O LEU 65 -12.056 1.682 5.077 1.00 0.00 ATOM 448 C LEU 65 -11.124 2.462 5.390 1.00 0.00 ATOM 449 N THR 66 -10.338 2.276 6.448 1.00 0.00 ATOM 450 CA THR 66 -10.493 1.122 7.332 1.00 0.00 ATOM 451 CB THR 66 -9.337 0.120 7.162 1.00 0.00 ATOM 452 CG2 THR 66 -9.216 -0.311 5.708 1.00 0.00 ATOM 453 OG1 THR 66 -8.106 0.733 7.568 1.00 0.00 ATOM 454 O THR 66 -10.192 2.534 9.327 1.00 0.00 ATOM 455 C THR 66 -10.532 1.431 8.865 1.00 0.00 ATOM 456 N ASN 68 -10.974 0.440 9.663 1.00 0.00 ATOM 457 CA ASN 68 -11.037 0.575 11.124 1.00 0.00 ATOM 458 CB ASN 68 -11.699 -0.655 11.747 1.00 0.00 ATOM 459 CG ASN 68 -13.188 -0.721 11.464 1.00 0.00 ATOM 460 ND2 ASN 68 -13.757 -1.915 11.578 1.00 0.00 ATOM 461 OD1 ASN 68 -13.815 0.290 11.150 1.00 0.00 ATOM 462 O ASN 68 -8.671 0.202 11.049 1.00 0.00 ATOM 463 C ASN 68 -9.621 0.711 11.645 1.00 0.00 ATOM 464 N ARG 69 -9.486 1.426 12.747 1.00 0.00 ATOM 465 CA ARG 69 -8.180 1.666 13.339 1.00 0.00 ATOM 466 CB ARG 69 -8.324 2.394 14.677 1.00 0.00 ATOM 467 CG ARG 69 -8.767 3.843 14.551 1.00 0.00 ATOM 468 CD ARG 69 -8.938 4.489 15.915 1.00 0.00 ATOM 469 NE ARG 69 -9.415 5.867 15.813 1.00 0.00 ATOM 470 CZ ARG 69 -9.760 6.616 16.854 1.00 0.00 ATOM 471 NH1 ARG 69 -10.183 7.858 16.665 1.00 0.00 ATOM 472 NH2 ARG 69 -9.682 6.123 18.082 1.00 0.00 ATOM 473 O ARG 69 -6.168 0.417 13.479 1.00 0.00 ATOM 474 C ARG 69 -7.394 0.414 13.616 1.00 0.00 ATOM 475 N GLU 70 -8.078 -0.635 14.057 1.00 0.00 ATOM 476 CA GLU 70 -7.424 -1.898 14.406 1.00 0.00 ATOM 477 CB GLU 70 -8.422 -2.854 15.062 1.00 0.00 ATOM 478 CG GLU 70 -8.865 -2.430 16.454 1.00 0.00 ATOM 479 CD GLU 70 -9.907 -3.361 17.043 1.00 0.00 ATOM 480 OE1 GLU 70 -10.310 -4.316 16.347 1.00 0.00 ATOM 481 OE2 GLU 70 -10.318 -3.135 18.200 1.00 0.00 ATOM 482 O GLU 70 -5.913 -3.513 13.516 1.00 0.00 ATOM 483 C GLU 70 -6.814 -2.687 13.277 1.00 0.00 ATOM 484 N MET 71 -7.270 -2.447 12.052 1.00 0.00 ATOM 485 CA MET 71 -6.653 -3.163 10.933 1.00 0.00 ATOM 486 CB MET 71 -7.725 -3.666 9.963 1.00 0.00 ATOM 487 CG MET 71 -8.710 -4.645 10.580 1.00 0.00 ATOM 488 SD MET 71 -9.979 -5.181 9.417 1.00 0.00 ATOM 489 CE MET 71 -9.008 -6.172 8.287 1.00 0.00 ATOM 490 O MET 71 -5.105 -2.835 9.137 1.00 0.00 ATOM 491 C MET 71 -5.677 -2.324 10.096 1.00 0.00 ATOM 492 N ALA 72 -5.376 -1.107 10.547 1.00 0.00 ATOM 493 CA ALA 72 -4.451 -0.232 9.840 1.00 0.00 ATOM 494 CB ALA 72 -4.295 1.085 10.582 1.00 0.00 ATOM 495 O ALA 72 -2.574 -1.034 8.628 1.00 0.00 ATOM 496 C ALA 72 -3.092 -0.896 9.732 1.00 0.00 ATOM 497 N GLU 73 -2.522 -1.363 10.851 1.00 0.00 ATOM 498 CA GLU 73 -1.194 -1.990 10.762 1.00 0.00 ATOM 499 CB GLU 73 -0.720 -2.438 12.146 1.00 0.00 ATOM 500 CG GLU 73 -0.354 -1.294 13.077 1.00 0.00 ATOM 501 CD GLU 73 -0.008 -1.769 14.475 1.00 0.00 ATOM 502 OE1 GLU 73 -0.125 -2.984 14.735 1.00 0.00 ATOM 503 OE2 GLU 73 0.379 -0.925 15.311 1.00 0.00 ATOM 504 O GLU 73 -0.229 -3.451 9.147 1.00 0.00 ATOM 505 C GLU 73 -1.188 -3.217 9.859 1.00 0.00 ATOM 506 N LYS 74 -2.260 -3.993 9.879 1.00 0.00 ATOM 507 CA LYS 74 -2.344 -5.184 9.025 1.00 0.00 ATOM 508 CB LYS 74 -3.621 -5.972 9.329 1.00 0.00 ATOM 509 CG LYS 74 -3.614 -6.666 10.680 1.00 0.00 ATOM 510 CD LYS 74 -4.908 -7.431 10.915 1.00 0.00 ATOM 511 CE LYS 74 -4.915 -8.097 12.281 1.00 0.00 ATOM 512 NZ LYS 74 -6.186 -8.831 12.534 1.00 0.00 ATOM 513 O LYS 74 -1.662 -5.322 6.743 1.00 0.00 ATOM 514 C LYS 74 -2.360 -4.736 7.561 1.00 0.00 ATOM 515 N ILE 75 -3.062 -3.644 7.258 1.00 0.00 ATOM 516 CA ILE 75 -3.115 -3.114 5.876 1.00 0.00 ATOM 517 CB ILE 75 -4.131 -1.964 5.752 1.00 0.00 ATOM 518 CG1 ILE 75 -5.545 -2.464 6.057 1.00 0.00 ATOM 519 CG2 ILE 75 -4.117 -1.389 4.343 1.00 0.00 ATOM 520 CD1 ILE 75 -6.026 -3.543 5.111 1.00 0.00 ATOM 521 O ILE 75 -1.289 -2.875 4.319 1.00 0.00 ATOM 522 C ILE 75 -1.753 -2.568 5.421 1.00 0.00 ATOM 523 N ALA 76 -1.109 -1.780 6.288 1.00 0.00 ATOM 524 CA ALA 76 0.210 -1.213 6.016 1.00 0.00 ATOM 525 CB ALA 76 0.697 -0.406 7.210 1.00 0.00 ATOM 526 O ALA 76 1.952 -2.319 4.706 1.00 0.00 ATOM 527 C ALA 76 1.247 -2.337 5.729 1.00 0.00 ATOM 528 N ASP 77 1.290 -3.327 6.627 1.00 0.00 ATOM 529 CA ASP 77 2.180 -4.482 6.521 1.00 0.00 ATOM 530 CB ASP 77 1.948 -5.445 7.687 1.00 0.00 ATOM 531 CG ASP 77 2.488 -4.913 8.999 1.00 0.00 ATOM 532 OD1 ASP 77 3.246 -3.920 8.971 1.00 0.00 ATOM 533 OD2 ASP 77 2.156 -5.489 10.057 1.00 0.00 ATOM 534 O ASP 77 2.941 -5.674 4.541 1.00 0.00 ATOM 535 C ASP 77 1.954 -5.267 5.213 1.00 0.00 ATOM 536 N GLN 78 0.680 -5.458 4.843 1.00 0.00 ATOM 537 CA GLN 78 0.409 -6.205 3.619 1.00 0.00 ATOM 538 CB GLN 78 -1.065 -6.611 3.554 1.00 0.00 ATOM 539 CG GLN 78 -1.462 -7.673 4.567 1.00 0.00 ATOM 540 CD GLN 78 -2.940 -8.004 4.516 1.00 0.00 ATOM 541 OE1 GLN 78 -3.693 -7.409 3.744 1.00 0.00 ATOM 542 NE2 GLN 78 -3.361 -8.955 5.341 1.00 0.00 ATOM 543 O GLN 78 1.176 -5.965 1.370 1.00 0.00 ATOM 544 C GLN 78 0.714 -5.397 2.355 1.00 0.00 ATOM 545 N VAL 79 0.538 -4.078 2.412 1.00 0.00 ATOM 546 CA VAL 79 0.903 -3.234 1.285 1.00 0.00 ATOM 547 CB VAL 79 0.476 -1.772 1.512 1.00 0.00 ATOM 548 CG1 VAL 79 1.028 -0.878 0.413 1.00 0.00 ATOM 549 CG2 VAL 79 -1.041 -1.654 1.511 1.00 0.00 ATOM 550 O VAL 79 2.874 -3.329 -0.077 1.00 0.00 ATOM 551 C VAL 79 2.427 -3.239 1.049 1.00 0.00 ATOM 552 N ALA 80 3.210 -3.056 2.112 1.00 0.00 ATOM 553 CA ALA 80 4.657 -3.061 2.009 1.00 0.00 ATOM 554 CB ALA 80 5.286 -2.860 3.378 1.00 0.00 ATOM 555 O ALA 80 5.881 -4.447 0.499 1.00 0.00 ATOM 556 C ALA 80 5.114 -4.402 1.439 1.00 0.00 ATOM 557 N ILE 81 4.643 -5.493 2.023 1.00 0.00 ATOM 558 CA ILE 81 5.016 -6.818 1.566 1.00 0.00 ATOM 559 CB ILE 81 4.215 -7.912 2.294 1.00 0.00 ATOM 560 CG1 ILE 81 4.619 -7.978 3.768 1.00 0.00 ATOM 561 CG2 ILE 81 4.473 -9.271 1.663 1.00 0.00 ATOM 562 CD1 ILE 81 3.702 -8.833 4.615 1.00 0.00 ATOM 563 O ILE 81 5.626 -7.718 -0.581 1.00 0.00 ATOM 564 C ILE 81 4.797 -7.080 0.075 1.00 0.00 ATOM 565 N LYS 82 3.654 -6.638 -0.433 1.00 0.00 ATOM 566 CA LYS 82 3.276 -6.878 -1.821 1.00 0.00 ATOM 567 CB LYS 82 1.756 -6.980 -1.952 1.00 0.00 ATOM 568 CG LYS 82 1.138 -8.113 -1.149 1.00 0.00 ATOM 569 CD LYS 82 1.559 -9.469 -1.692 1.00 0.00 ATOM 570 CE LYS 82 2.764 -10.014 -0.942 1.00 0.00 ATOM 571 NZ LYS 82 3.182 -11.347 -1.459 1.00 0.00 ATOM 572 O LYS 82 3.666 -6.053 -4.050 1.00 0.00 ATOM 573 C LYS 82 3.700 -5.808 -2.835 1.00 0.00 ATOM 574 N PHE 83 4.069 -4.620 -2.341 1.00 0.00 ATOM 575 CA PHE 83 4.472 -3.498 -3.197 1.00 0.00 ATOM 576 CB PHE 83 3.828 -2.198 -2.714 1.00 0.00 ATOM 577 CG PHE 83 2.327 -2.207 -2.769 1.00 0.00 ATOM 578 CD1 PHE 83 1.656 -3.102 -3.585 1.00 0.00 ATOM 579 CD2 PHE 83 1.586 -1.322 -2.006 1.00 0.00 ATOM 580 CE1 PHE 83 0.276 -3.111 -3.636 1.00 0.00 ATOM 581 CE2 PHE 83 0.204 -1.331 -2.058 1.00 0.00 ATOM 582 CZ PHE 83 -0.451 -2.220 -2.869 1.00 0.00 ATOM 583 O PHE 83 6.495 -2.678 -4.200 1.00 0.00 ATOM 584 C PHE 83 5.987 -3.239 -3.240 1.00 0.00 ATOM 585 N PHE 84 6.699 -3.651 -2.190 1.00 0.00 ATOM 586 CA PHE 84 8.142 -3.445 -2.071 1.00 0.00 ATOM 587 CB PHE 84 8.638 -3.911 -0.700 1.00 0.00 ATOM 588 CG PHE 84 10.104 -3.676 -0.474 1.00 0.00 ATOM 589 CD1 PHE 84 10.578 -2.414 -0.163 1.00 0.00 ATOM 590 CD2 PHE 84 11.010 -4.719 -0.572 1.00 0.00 ATOM 591 CE1 PHE 84 11.927 -2.197 0.044 1.00 0.00 ATOM 592 CE2 PHE 84 12.359 -4.503 -0.364 1.00 0.00 ATOM 593 CZ PHE 84 12.819 -3.249 -0.057 1.00 0.00 ATOM 594 O PHE 84 8.709 -5.364 -3.420 1.00 0.00 ATOM 595 C PHE 84 8.992 -4.210 -3.127 1.00 0.00 ATOM 596 N THR 85 9.987 -3.557 -3.728 1.00 0.00 ATOM 597 CA THR 85 10.881 -4.230 -4.676 1.00 0.00 ATOM 598 CB THR 85 10.777 -3.614 -6.083 1.00 0.00 ATOM 599 CG2 THR 85 9.352 -3.713 -6.605 1.00 0.00 ATOM 600 OG1 THR 85 11.158 -2.233 -6.032 1.00 0.00 ATOM 601 O THR 85 13.231 -4.697 -4.608 1.00 0.00 ATOM 602 C THR 85 12.304 -4.062 -4.136 1.00 0.00 ATOM 603 N ASP 86 12.468 -3.186 -3.144 1.00 0.00 ATOM 604 CA ASP 86 13.780 -2.931 -2.602 1.00 0.00 ATOM 605 CB ASP 86 14.591 -4.228 -2.530 1.00 0.00 ATOM 606 CG ASP 86 15.844 -4.084 -1.690 1.00 0.00 ATOM 607 OD1 ASP 86 15.733 -3.630 -0.531 1.00 0.00 ATOM 608 OD2 ASP 86 16.937 -4.425 -2.188 1.00 0.00 ATOM 609 O ASP 86 15.685 -1.634 -3.243 1.00 0.00 ATOM 610 C ASP 86 14.522 -1.937 -3.490 1.00 0.00 ATOM 611 N TYR 87 13.883 -1.410 -4.531 1.00 0.00 ATOM 612 CA TYR 87 14.579 -0.471 -5.398 1.00 0.00 ATOM 613 CB TYR 87 14.403 -0.864 -6.866 1.00 0.00 ATOM 614 CG TYR 87 14.944 -2.236 -7.201 1.00 0.00 ATOM 615 CD1 TYR 87 14.088 -3.318 -7.364 1.00 0.00 ATOM 616 CD2 TYR 87 16.308 -2.445 -7.353 1.00 0.00 ATOM 617 CE1 TYR 87 14.573 -4.575 -7.669 1.00 0.00 ATOM 618 CE2 TYR 87 16.811 -3.695 -7.659 1.00 0.00 ATOM 619 CZ TYR 87 15.931 -4.763 -7.817 1.00 0.00 ATOM 620 OH TYR 87 16.416 -6.015 -8.122 1.00 0.00 ATOM 621 O TYR 87 13.172 1.268 -4.498 1.00 0.00 ATOM 622 C TYR 87 14.084 0.977 -5.268 1.00 0.00 ATOM 623 N ALA 88 9.832 2.916 -4.850 1.00 0.00 ATOM 624 CA ALA 88 8.753 2.067 -4.319 1.00 0.00 ATOM 625 CB ALA 88 9.271 1.204 -3.179 1.00 0.00 ATOM 626 O ALA 88 6.414 2.309 -3.629 1.00 0.00 ATOM 627 C ALA 88 7.535 2.848 -3.757 1.00 0.00 ATOM 628 N GLY 89 7.754 4.099 -3.391 1.00 0.00 ATOM 629 CA GLY 89 6.642 4.898 -2.922 1.00 0.00 ATOM 630 O GLY 89 7.207 4.444 -0.618 1.00 0.00 ATOM 631 C GLY 89 6.423 4.979 -1.431 1.00 0.00 ATOM 632 N ILE 90 5.338 5.642 -1.072 1.00 0.00 ATOM 633 CA ILE 90 5.044 5.823 0.332 1.00 0.00 ATOM 634 CB ILE 90 5.337 7.265 0.788 1.00 0.00 ATOM 635 CG1 ILE 90 4.477 8.257 0.002 1.00 0.00 ATOM 636 CG2 ILE 90 6.800 7.608 0.560 1.00 0.00 ATOM 637 CD1 ILE 90 4.547 9.675 0.528 1.00 0.00 ATOM 638 O ILE 90 2.734 5.528 -0.192 1.00 0.00 ATOM 639 C ILE 90 3.594 5.549 0.683 1.00 0.00 ATOM 640 N ILE 91 3.353 5.321 1.981 1.00 0.00 ATOM 641 CA ILE 91 2.008 5.105 2.509 1.00 0.00 ATOM 642 CB ILE 91 1.900 3.755 3.242 1.00 0.00 ATOM 643 CG1 ILE 91 2.200 2.601 2.283 1.00 0.00 ATOM 644 CG2 ILE 91 0.499 3.563 3.801 1.00 0.00 ATOM 645 CD1 ILE 91 2.340 1.259 2.967 1.00 0.00 ATOM 646 O ILE 91 2.598 6.551 4.271 1.00 0.00 ATOM 647 C ILE 91 1.749 6.242 3.470 1.00 0.00 ATOM 648 N TYR 92 0.624 6.932 3.337 1.00 0.00 ATOM 649 CA TYR 92 0.303 8.030 4.246 1.00 0.00 ATOM 650 CB TYR 92 0.160 9.342 3.471 1.00 0.00 ATOM 651 CG TYR 92 -0.221 10.524 4.334 1.00 0.00 ATOM 652 CD1 TYR 92 0.728 11.165 5.119 1.00 0.00 ATOM 653 CD2 TYR 92 -1.527 10.995 4.357 1.00 0.00 ATOM 654 CE1 TYR 92 0.389 12.247 5.910 1.00 0.00 ATOM 655 CE2 TYR 92 -1.884 12.074 5.142 1.00 0.00 ATOM 656 CZ TYR 92 -0.912 12.700 5.923 1.00 0.00 ATOM 657 OH TYR 92 -1.252 13.776 6.710 1.00 0.00 ATOM 658 O TYR 92 -1.895 7.134 4.220 1.00 0.00 ATOM 659 C TYR 92 -1.005 7.642 4.900 1.00 0.00 ATOM 660 N ILE 93 -1.143 7.898 6.200 1.00 0.00 ATOM 661 CA ILE 93 -2.357 7.562 6.919 1.00 0.00 ATOM 662 CB ILE 93 -2.060 6.681 8.147 1.00 0.00 ATOM 663 CG1 ILE 93 -1.427 5.357 7.713 1.00 0.00 ATOM 664 CG2 ILE 93 -3.343 6.376 8.905 1.00 0.00 ATOM 665 CD1 ILE 93 -0.886 4.535 8.862 1.00 0.00 ATOM 666 O ILE 93 -2.328 9.765 7.806 1.00 0.00 ATOM 667 C ILE 93 -3.014 8.856 7.380 1.00 0.00 ATOM 668 N CYS 94 -4.328 8.990 7.257 1.00 0.00 ATOM 669 CA CYS 94 -4.994 10.237 7.673 1.00 0.00 ATOM 670 CB CYS 94 -5.457 11.031 6.450 1.00 0.00 ATOM 671 SG CYS 94 -6.296 12.584 6.840 1.00 0.00 ATOM 672 O CYS 94 -6.876 8.887 8.294 1.00 0.00 ATOM 673 C CYS 94 -6.204 9.902 8.533 1.00 0.00 ATOM 674 N GLU 95 -6.513 10.762 9.492 1.00 0.00 ATOM 675 CA GLU 95 -7.663 10.543 10.345 1.00 0.00 ATOM 676 CB GLU 95 -7.578 11.420 11.596 1.00 0.00 ATOM 677 CG GLU 95 -6.412 11.084 12.511 1.00 0.00 ATOM 678 CD GLU 95 -6.380 11.950 13.755 1.00 0.00 ATOM 679 OE1 GLU 95 -7.247 12.841 13.881 1.00 0.00 ATOM 680 OE2 GLU 95 -5.487 11.739 14.603 1.00 0.00 ATOM 681 O GLU 95 -8.867 11.800 8.704 1.00 0.00 ATOM 682 C GLU 95 -8.910 10.902 9.546 1.00 0.00 ATOM 683 N ALA 96 -10.009 10.177 9.752 1.00 0.00 ATOM 684 CA ALA 96 -11.252 10.535 9.045 1.00 0.00 ATOM 685 CB ALA 96 -11.777 9.343 8.259 1.00 0.00 ATOM 686 O ALA 96 -12.410 10.314 11.148 1.00 0.00 ATOM 687 C ALA 96 -12.271 10.956 10.104 1.00 0.00 ATOM 688 N GLU 97 -12.930 12.070 9.849 1.00 0.00 ATOM 689 CA GLU 97 -13.927 12.578 10.776 1.00 0.00 ATOM 690 CB GLU 97 -14.141 14.079 10.565 1.00 0.00 ATOM 691 CG GLU 97 -12.907 14.924 10.835 1.00 0.00 ATOM 692 CD GLU 97 -13.096 16.375 10.436 1.00 0.00 ATOM 693 OE1 GLU 97 -14.172 16.706 9.895 1.00 0.00 ATOM 694 OE2 GLU 97 -12.169 17.180 10.665 1.00 0.00 ATOM 695 O GLU 97 -15.961 11.653 11.643 1.00 0.00 ATOM 696 C GLU 97 -15.317 11.923 10.648 1.00 0.00 ATOM 697 N VAL 98 -17.865 9.073 8.034 1.00 0.00 ATOM 698 CA VAL 98 -17.944 8.151 6.883 1.00 0.00 ATOM 699 CB VAL 98 -17.190 6.837 7.161 1.00 0.00 ATOM 700 CG1 VAL 98 -17.367 5.866 6.003 1.00 0.00 ATOM 701 CG2 VAL 98 -15.703 7.103 7.342 1.00 0.00 ATOM 702 O VAL 98 -20.122 7.445 7.637 1.00 0.00 ATOM 703 C VAL 98 -19.441 7.899 6.702 1.00 0.00 ATOM 704 N LEU 99 -19.980 8.300 5.557 1.00 0.00 ATOM 705 CA LEU 99 -21.412 8.156 5.317 1.00 0.00 ATOM 706 CB LEU 99 -22.045 9.518 5.024 1.00 0.00 ATOM 707 CG LEU 99 -21.938 10.568 6.129 1.00 0.00 ATOM 708 CD1 LEU 99 -22.488 11.906 5.656 1.00 0.00 ATOM 709 CD2 LEU 99 -22.725 10.138 7.358 1.00 0.00 ATOM 710 O LEU 99 -21.081 7.389 3.056 1.00 0.00 ATOM 711 C LEU 99 -21.710 7.238 4.119 1.00 0.00 ATOM 712 N TYR 100 -22.637 6.283 4.302 1.00 0.00 ATOM 713 CA TYR 100 -23.040 5.386 3.228 1.00 0.00 ATOM 714 CB TYR 100 -23.576 4.072 3.800 1.00 0.00 ATOM 715 CG TYR 100 -22.518 3.212 4.454 1.00 0.00 ATOM 716 CD1 TYR 100 -22.260 3.315 5.815 1.00 0.00 ATOM 717 CD2 TYR 100 -21.782 2.301 3.709 1.00 0.00 ATOM 718 CE1 TYR 100 -21.295 2.533 6.422 1.00 0.00 ATOM 719 CE2 TYR 100 -20.814 1.511 4.298 1.00 0.00 ATOM 720 CZ TYR 100 -20.573 1.634 5.666 1.00 0.00 ATOM 721 OH TYR 100 -19.613 0.853 6.268 1.00 0.00 ATOM 722 O TYR 100 -25.202 6.321 2.905 1.00 0.00 ATOM 723 C TYR 100 -24.136 6.070 2.410 1.00 0.00 ATOM 724 N GLY 101 -23.858 6.381 1.149 1.00 0.00 ATOM 725 CA GLY 101 -24.834 7.064 0.301 1.00 0.00 ATOM 726 O GLY 101 -27.254 6.881 0.122 1.00 0.00 ATOM 727 C GLY 101 -26.159 6.284 0.100 1.00 0.00 ATOM 728 N ARG 102 -26.079 4.970 -0.088 1.00 0.00 ATOM 729 CA ARG 102 -27.304 4.232 -0.363 1.00 0.00 ATOM 730 CB ARG 102 -27.009 2.739 -0.509 1.00 0.00 ATOM 731 CG ARG 102 -26.259 2.376 -1.781 1.00 0.00 ATOM 732 CD ARG 102 -25.934 0.891 -1.825 1.00 0.00 ATOM 733 NE ARG 102 -25.187 0.530 -3.029 1.00 0.00 ATOM 734 CZ ARG 102 -24.718 -0.687 -3.278 1.00 0.00 ATOM 735 NH1 ARG 102 -24.050 -0.922 -4.400 1.00 0.00 ATOM 736 NH2 ARG 102 -24.917 -1.666 -2.408 1.00 0.00 ATOM 737 O ARG 102 -29.567 4.452 0.336 1.00 0.00 ATOM 738 C ARG 102 -28.385 4.326 0.680 1.00 0.00 ATOM 739 N THR 103 -27.978 4.320 1.944 1.00 0.00 ATOM 740 CA THR 103 -28.919 4.323 3.067 1.00 0.00 ATOM 741 CB THR 103 -28.641 3.162 4.040 1.00 0.00 ATOM 742 CG2 THR 103 -28.753 1.827 3.320 1.00 0.00 ATOM 743 OG1 THR 103 -27.318 3.291 4.575 1.00 0.00 ATOM 744 O THR 103 -29.769 5.767 4.778 1.00 0.00 ATOM 745 C THR 103 -28.900 5.589 3.929 1.00 0.00 ATOM 746 N PHE 104 -27.904 6.449 3.735 1.00 0.00 ATOM 747 CA PHE 104 -27.824 7.649 4.551 1.00 0.00 ATOM 748 CB PHE 104 -29.210 8.269 4.730 1.00 0.00 ATOM 749 CG PHE 104 -29.865 8.669 3.438 1.00 0.00 ATOM 750 CD1 PHE 104 -30.951 7.964 2.949 1.00 0.00 ATOM 751 CD2 PHE 104 -29.395 9.750 2.713 1.00 0.00 ATOM 752 CE1 PHE 104 -31.553 8.332 1.761 1.00 0.00 ATOM 753 CE2 PHE 104 -29.998 10.119 1.525 1.00 0.00 ATOM 754 CZ PHE 104 -31.072 9.414 1.048 1.00 0.00 ATOM 755 O PHE 104 -27.166 8.225 6.816 1.00 0.00 ATOM 756 C PHE 104 -27.259 7.334 5.946 1.00 0.00 ATOM 757 N CYS 105 -26.860 6.080 6.156 1.00 0.00 ATOM 758 CA CYS 105 -26.303 5.657 7.440 1.00 0.00 ATOM 759 CB CYS 105 -26.525 4.157 7.652 1.00 0.00 ATOM 760 SG CYS 105 -28.262 3.670 7.777 1.00 0.00 ATOM 761 O CYS 105 -23.981 5.629 6.720 1.00 0.00 ATOM 762 C CYS 105 -24.790 5.884 7.618 1.00 0.00 ATOM 763 N GLY 106 -24.432 6.355 8.805 1.00 0.00 ATOM 764 CA GLY 106 -23.043 6.628 9.124 1.00 0.00 ATOM 765 O GLY 106 -22.981 4.677 10.528 1.00 0.00 ATOM 766 C GLY 106 -22.354 5.468 9.813 1.00 0.00 ATOM 767 N PRO 107 -21.059 5.350 9.558 1.00 0.00 ATOM 768 CA PRO 107 -20.235 4.359 10.232 1.00 0.00 ATOM 769 CB PRO 107 -19.223 3.931 9.169 1.00 0.00 ATOM 770 CG PRO 107 -19.004 5.157 8.346 1.00 0.00 ATOM 771 CD PRO 107 -20.331 5.857 8.282 1.00 0.00 ATOM 772 O PRO 107 -19.522 6.334 11.361 1.00 0.00 ATOM 773 C PRO 107 -19.635 5.120 11.399 1.00 0.00 ATOM 774 N ASP 108 -19.270 4.427 12.458 1.00 0.00 ATOM 775 CA ASP 108 -18.693 5.136 13.593 1.00 0.00 ATOM 776 CB ASP 108 -18.680 4.239 14.833 1.00 0.00 ATOM 777 CG ASP 108 -18.169 4.959 16.067 1.00 0.00 ATOM 778 OD1 ASP 108 -17.698 6.109 15.932 1.00 0.00 ATOM 779 OD2 ASP 108 -18.238 4.373 17.168 1.00 0.00 ATOM 780 O ASP 108 -16.452 4.595 13.072 1.00 0.00 ATOM 781 C ASP 108 -17.275 5.484 13.132 1.00 0.00 ATOM 782 N GLY 109 -16.985 6.755 12.803 1.00 0.00 ATOM 783 CA GLY 109 -15.631 7.133 12.362 1.00 0.00 ATOM 784 O GLY 109 -13.354 7.068 13.038 1.00 0.00 ATOM 785 C GLY 109 -14.514 6.966 13.396 1.00 0.00 TER END