PFRMAT TS TARGET T0221 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to 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 7 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 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) for METHOD finding and aligning more remote 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. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD This is the model created by alignment to our best-scoring template (1dnyA), METHOD with sidechains optimized by SCWRL. METHOD The alignment was made with a 3-track HMM: METHOD T0221-1dnyA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5.a2m REMARK 6 REMARK 6 T0221 model 4 Fri Jul 16 16:36:37 2004 MODEL 4 PARENT 1dny_A ATOM 2 N PRO 6 7.522 41.414 6.789 1.00 0.00 ATOM 3 CA PRO 6 8.435 40.255 6.987 1.00 0.00 ATOM 4 CB PRO 6 9.016 40.475 8.385 1.00 0.00 ATOM 5 CG PRO 6 7.960 41.235 9.114 1.00 0.00 ATOM 6 CD PRO 6 7.346 42.167 8.106 1.00 0.00 ATOM 7 O PRO 6 8.171 37.877 7.124 1.00 0.00 ATOM 8 C PRO 6 7.650 38.951 6.896 1.00 0.00 ATOM 9 N CYS 7 6.408 39.039 6.546 1.00 0.00 ATOM 10 CA CYS 7 5.578 37.812 6.414 1.00 0.00 ATOM 11 CB CYS 7 5.794 36.886 7.613 1.00 0.00 ATOM 12 SG CYS 7 4.880 35.328 7.527 1.00 0.00 ATOM 13 O CYS 7 3.676 39.159 6.945 1.00 0.00 ATOM 14 C CYS 7 4.095 38.191 6.344 1.00 0.00 ATOM 15 N SER 8 3.344 37.395 5.632 1.00 0.00 ATOM 16 CA SER 8 1.894 37.595 5.485 1.00 0.00 ATOM 17 CB SER 8 1.378 36.881 4.233 1.00 0.00 ATOM 18 OG SER 8 1.426 35.473 4.394 1.00 0.00 ATOM 19 O SER 8 1.813 36.648 7.682 1.00 0.00 ATOM 20 C SER 8 1.180 37.028 6.717 1.00 0.00 ATOM 21 N VAL 9 -0.121 36.961 6.702 1.00 0.00 ATOM 22 CA VAL 9 -0.839 36.410 7.886 1.00 0.00 ATOM 23 CB VAL 9 -1.883 37.405 8.428 1.00 0.00 ATOM 24 CG1 VAL 9 -1.206 38.684 8.896 1.00 0.00 ATOM 25 CG2 VAL 9 -2.890 37.763 7.345 1.00 0.00 ATOM 26 O VAL 9 -2.022 34.375 8.343 1.00 0.00 ATOM 27 C VAL 9 -1.563 35.119 7.497 1.00 0.00 ATOM 28 N GLU 10 -1.660 34.838 6.226 1.00 0.00 ATOM 29 CA GLU 10 -2.339 33.593 5.782 1.00 0.00 ATOM 30 CB GLU 10 -3.852 33.804 5.709 1.00 0.00 ATOM 31 CG GLU 10 -4.632 32.568 5.289 1.00 0.00 ATOM 32 CD GLU 10 -6.127 32.809 5.243 1.00 0.00 ATOM 33 OE1 GLU 10 -6.548 33.967 5.453 1.00 0.00 ATOM 34 OE2 GLU 10 -6.878 31.842 4.997 1.00 0.00 ATOM 35 O GLU 10 -1.395 34.104 3.655 1.00 0.00 ATOM 36 C GLU 10 -1.801 33.237 4.403 1.00 0.00 ATOM 37 N ASP 11 -1.776 31.984 4.053 1.00 0.00 ATOM 38 CA ASP 11 -1.240 31.626 2.717 1.00 0.00 ATOM 39 CB ASP 11 -1.247 30.108 2.525 1.00 0.00 ATOM 40 CG ASP 11 -0.185 29.411 3.352 1.00 0.00 ATOM 41 OD1 ASP 11 0.699 30.108 3.894 1.00 0.00 ATOM 42 OD2 ASP 11 -0.237 28.168 3.460 1.00 0.00 ATOM 43 O ASP 11 -1.700 32.373 0.500 1.00 0.00 ATOM 44 C ASP 11 -2.103 32.267 1.637 1.00 0.00 ATOM 45 N ILE 12 -3.274 32.729 1.980 1.00 0.00 ATOM 46 CA ILE 12 -4.104 33.398 0.949 1.00 0.00 ATOM 47 CB ILE 12 -5.501 33.749 1.492 1.00 0.00 ATOM 48 CG1 ILE 12 -6.263 32.478 1.872 1.00 0.00 ATOM 49 CG2 ILE 12 -6.308 34.499 0.442 1.00 0.00 ATOM 50 CD1 ILE 12 -6.496 31.537 0.712 1.00 0.00 ATOM 51 O ILE 12 -3.141 34.966 -0.603 1.00 0.00 ATOM 52 C ILE 12 -3.356 34.666 0.563 1.00 0.00 ATOM 53 N GLN 13 -2.906 35.387 1.554 1.00 0.00 ATOM 54 CA GLN 13 -2.113 36.608 1.290 1.00 0.00 ATOM 55 CB GLN 13 -1.934 37.418 2.575 1.00 0.00 ATOM 56 CG GLN 13 -3.211 38.073 3.079 1.00 0.00 ATOM 57 CD GLN 13 -3.007 38.813 4.386 1.00 0.00 ATOM 58 OE1 GLN 13 -1.913 38.811 4.949 1.00 0.00 ATOM 59 NE2 GLN 13 -4.066 39.453 4.873 1.00 0.00 ATOM 60 O GLN 13 -0.087 36.866 0.043 1.00 0.00 ATOM 61 C GLN 13 -0.757 36.153 0.760 1.00 0.00 ATOM 62 N SER 14 -0.356 34.949 1.101 1.00 0.00 ATOM 63 CA SER 14 0.947 34.431 0.596 1.00 0.00 ATOM 64 CB SER 14 1.191 33.009 1.104 1.00 0.00 ATOM 65 OG SER 14 1.368 32.992 2.509 1.00 0.00 ATOM 66 O SER 14 1.813 34.911 -1.599 1.00 0.00 ATOM 67 C SER 14 0.912 34.426 -0.934 1.00 0.00 ATOM 68 N TRP 15 -0.137 33.885 -1.499 1.00 0.00 ATOM 69 CA TRP 15 -0.250 33.844 -2.981 1.00 0.00 ATOM 70 CB TRP 15 -1.447 32.990 -3.402 1.00 0.00 ATOM 71 CG TRP 15 -1.660 32.947 -4.886 1.00 0.00 ATOM 72 CD1 TRP 15 -2.611 33.620 -5.595 1.00 0.00 ATOM 73 CD2 TRP 15 -0.906 32.190 -5.840 1.00 0.00 ATOM 74 CE2 TRP 15 -1.457 32.455 -7.110 1.00 0.00 ATOM 75 CE3 TRP 15 0.181 31.316 -5.746 1.00 0.00 ATOM 76 NE1 TRP 15 -2.498 33.331 -6.934 1.00 0.00 ATOM 77 CZ2 TRP 15 -0.957 31.876 -8.275 1.00 0.00 ATOM 78 CZ3 TRP 15 0.672 30.745 -6.903 1.00 0.00 ATOM 79 CH2 TRP 15 0.107 31.025 -8.153 1.00 0.00 ATOM 80 O TRP 15 0.332 35.741 -4.304 1.00 0.00 ATOM 81 C TRP 15 -0.440 35.263 -3.504 1.00 0.00 ATOM 82 N LEU 16 -1.456 35.947 -3.050 1.00 0.00 ATOM 83 CA LEU 16 -1.670 37.340 -3.534 1.00 0.00 ATOM 84 CB LEU 16 -2.828 37.996 -2.779 1.00 0.00 ATOM 85 CG LEU 16 -3.254 39.383 -3.266 1.00 0.00 ATOM 86 CD1 LEU 16 -3.747 39.320 -4.704 1.00 0.00 ATOM 87 CD2 LEU 16 -4.377 39.934 -2.401 1.00 0.00 ATOM 88 O LEU 16 -0.171 39.162 -3.923 1.00 0.00 ATOM 89 C LEU 16 -0.395 38.147 -3.299 1.00 0.00 ATOM 90 N ILE 17 0.462 37.688 -2.430 1.00 0.00 ATOM 91 CA ILE 17 1.737 38.417 -2.200 1.00 0.00 ATOM 92 CB ILE 17 2.432 37.944 -0.910 1.00 0.00 ATOM 93 CG1 ILE 17 1.607 38.338 0.317 1.00 0.00 ATOM 94 CG2 ILE 17 3.810 38.574 -0.785 1.00 0.00 ATOM 95 CD1 ILE 17 2.073 37.688 1.601 1.00 0.00 ATOM 96 O ILE 17 3.146 39.042 -4.034 1.00 0.00 ATOM 97 C ILE 17 2.636 38.140 -3.399 1.00 0.00 ATOM 98 N ASP 18 2.803 36.888 -3.732 1.00 0.00 ATOM 99 CA ASP 18 3.638 36.548 -4.916 1.00 0.00 ATOM 100 CB ASP 18 3.658 35.035 -5.140 1.00 0.00 ATOM 101 CG ASP 18 4.481 34.302 -4.100 1.00 0.00 ATOM 102 OD1 ASP 18 5.195 34.975 -3.326 1.00 0.00 ATOM 103 OD2 ASP 18 4.413 33.055 -4.056 1.00 0.00 ATOM 104 O ASP 18 3.642 38.104 -6.732 1.00 0.00 ATOM 105 C ASP 18 3.036 37.241 -6.139 1.00 0.00 ATOM 106 N GLN 19 1.835 36.880 -6.511 1.00 0.00 ATOM 107 CA GLN 19 1.190 37.538 -7.688 1.00 0.00 ATOM 108 CB GLN 19 -0.316 37.267 -7.694 1.00 0.00 ATOM 109 CG GLN 19 -1.068 37.918 -6.545 1.00 0.00 ATOM 110 CD GLN 19 -2.536 37.537 -6.517 1.00 0.00 ATOM 111 OE1 GLN 19 -2.889 36.420 -6.137 1.00 0.00 ATOM 112 NE2 GLN 19 -3.395 38.464 -6.922 1.00 0.00 ATOM 113 O GLN 19 1.936 39.664 -8.520 1.00 0.00 ATOM 114 C GLN 19 1.430 39.047 -7.605 1.00 0.00 ATOM 115 N PHE 20 1.065 39.635 -6.512 1.00 0.00 ATOM 116 CA PHE 20 1.252 41.100 -6.339 1.00 0.00 ATOM 117 CB PHE 20 1.154 41.481 -4.860 1.00 0.00 ATOM 118 CG PHE 20 1.263 42.958 -4.607 1.00 0.00 ATOM 119 CD1 PHE 20 0.173 43.790 -4.794 1.00 0.00 ATOM 120 CD2 PHE 20 2.457 43.516 -4.183 1.00 0.00 ATOM 121 CE1 PHE 20 0.274 45.149 -4.561 1.00 0.00 ATOM 122 CE2 PHE 20 2.557 44.874 -3.949 1.00 0.00 ATOM 123 CZ PHE 20 1.473 45.690 -4.137 1.00 0.00 ATOM 124 O PHE 20 2.725 42.413 -7.695 1.00 0.00 ATOM 125 C PHE 20 2.622 41.542 -6.858 1.00 0.00 ATOM 126 N ALA 21 3.677 40.982 -6.343 1.00 0.00 ATOM 127 CA ALA 21 5.036 41.418 -6.785 1.00 0.00 ATOM 128 CB ALA 21 6.108 40.735 -5.950 1.00 0.00 ATOM 129 O ALA 21 5.999 41.748 -8.954 1.00 0.00 ATOM 130 C ALA 21 5.278 41.066 -8.254 1.00 0.00 ATOM 131 N GLN 22 4.695 40.008 -8.731 1.00 0.00 ATOM 132 CA GLN 22 4.910 39.625 -10.153 1.00 0.00 ATOM 133 CB GLN 22 4.452 38.186 -10.396 1.00 0.00 ATOM 134 CG GLN 22 5.320 37.136 -9.723 1.00 0.00 ATOM 135 CD GLN 22 6.703 37.042 -10.336 1.00 0.00 ATOM 136 OE1 GLN 22 6.847 36.935 -11.554 1.00 0.00 ATOM 137 NE2 GLN 22 7.728 37.084 -9.494 1.00 0.00 ATOM 138 O GLN 22 4.663 41.381 -11.772 1.00 0.00 ATOM 139 C GLN 22 4.112 40.556 -11.068 1.00 0.00 ATOM 140 N GLN 23 2.818 40.414 -11.072 1.00 0.00 ATOM 141 CA GLN 23 1.968 41.267 -11.947 1.00 0.00 ATOM 142 CB GLN 23 0.486 40.996 -11.683 1.00 0.00 ATOM 143 CG GLN 23 -0.010 39.668 -12.232 1.00 0.00 ATOM 144 CD GLN 23 0.529 38.481 -11.460 1.00 0.00 ATOM 145 OE1 GLN 23 0.816 38.581 -10.268 1.00 0.00 ATOM 146 NE2 GLN 23 0.668 37.349 -12.141 1.00 0.00 ATOM 147 O GLN 23 2.187 43.563 -12.583 1.00 0.00 ATOM 148 C GLN 23 2.242 42.751 -11.682 1.00 0.00 ATOM 149 N LEU 24 2.531 43.120 -10.462 1.00 0.00 ATOM 150 CA LEU 24 2.793 44.562 -10.176 1.00 0.00 ATOM 151 CB LEU 24 2.473 44.885 -8.715 1.00 0.00 ATOM 152 CG LEU 24 1.016 44.704 -8.284 1.00 0.00 ATOM 153 CD1 LEU 24 0.859 44.973 -6.795 1.00 0.00 ATOM 154 CD2 LEU 24 0.110 45.663 -9.039 1.00 0.00 ATOM 155 O LEU 24 4.639 46.031 -10.596 1.00 0.00 ATOM 156 C LEU 24 4.267 44.886 -10.441 1.00 0.00 ATOM 157 N ASP 25 5.106 43.889 -10.507 1.00 0.00 ATOM 158 CA ASP 25 6.549 44.148 -10.779 1.00 0.00 ATOM 159 CB ASP 25 6.707 45.191 -11.886 1.00 0.00 ATOM 160 CG ASP 25 6.101 44.742 -13.202 1.00 0.00 ATOM 161 OD1 ASP 25 6.401 43.611 -13.637 1.00 0.00 ATOM 162 OD2 ASP 25 5.329 45.521 -13.797 1.00 0.00 ATOM 163 O ASP 25 8.223 45.381 -9.590 1.00 0.00 ATOM 164 C ASP 25 7.242 44.668 -9.517 1.00 0.00 ATOM 165 N VAL 26 6.750 44.313 -8.362 1.00 0.00 ATOM 166 CA VAL 26 7.400 44.786 -7.105 1.00 0.00 ATOM 167 CB VAL 26 6.358 45.237 -6.066 1.00 0.00 ATOM 168 CG1 VAL 26 5.533 46.395 -6.606 1.00 0.00 ATOM 169 CG2 VAL 26 5.415 44.092 -5.726 1.00 0.00 ATOM 170 O VAL 26 8.319 42.577 -7.086 1.00 0.00 ATOM 171 C VAL 26 8.222 43.644 -6.513 1.00 0.00 ATOM 175 N ASP 29 8.811 43.851 -5.370 1.00 0.00 ATOM 176 CA ASP 29 9.618 42.765 -4.749 1.00 0.00 ATOM 177 CB ASP 29 11.104 42.959 -5.058 1.00 0.00 ATOM 178 CG ASP 29 11.949 41.784 -4.610 1.00 0.00 ATOM 179 OD1 ASP 29 11.380 40.814 -4.069 1.00 0.00 ATOM 180 OD2 ASP 29 13.183 41.833 -4.801 1.00 0.00 ATOM 181 O ASP 29 10.207 43.351 -2.500 1.00 0.00 ATOM 182 C ASP 29 9.417 42.788 -3.234 1.00 0.00 ATOM 183 N ASP 30 8.364 42.181 -2.757 1.00 0.00 ATOM 184 CA ASP 30 8.109 42.167 -1.290 1.00 0.00 ATOM 185 CB ASP 30 9.056 43.133 -0.573 1.00 0.00 ATOM 186 CG ASP 30 10.482 42.623 -0.525 1.00 0.00 ATOM 187 OD1 ASP 30 10.699 41.432 -0.840 1.00 0.00 ATOM 188 OD2 ASP 30 11.384 43.411 -0.174 1.00 0.00 ATOM 189 O ASP 30 5.816 41.783 -0.705 1.00 0.00 ATOM 190 C ASP 30 6.664 42.595 -1.018 1.00 0.00 ATOM 191 N ILE 31 6.376 43.863 -1.142 1.00 0.00 ATOM 192 CA ILE 31 4.984 44.341 -0.897 1.00 0.00 ATOM 193 CB ILE 31 3.988 43.702 -1.882 1.00 0.00 ATOM 194 CG1 ILE 31 3.989 42.180 -1.732 1.00 0.00 ATOM 195 CG2 ILE 31 4.363 44.045 -3.317 1.00 0.00 ATOM 196 CD1 ILE 31 2.897 41.487 -2.518 1.00 0.00 ATOM 197 O ILE 31 5.033 43.018 1.106 1.00 0.00 ATOM 198 C ILE 31 4.554 43.974 0.527 1.00 0.00 ATOM 199 N ASP 32 3.657 44.730 1.100 1.00 0.00 ATOM 200 CA ASP 32 3.202 44.430 2.486 1.00 0.00 ATOM 201 CB ASP 32 2.947 45.725 3.259 1.00 0.00 ATOM 202 CG ASP 32 4.230 46.450 3.621 1.00 0.00 ATOM 203 OD1 ASP 32 5.313 45.843 3.483 1.00 0.00 ATOM 204 OD2 ASP 32 4.151 47.623 4.041 1.00 0.00 ATOM 205 O ASP 32 1.795 42.650 1.724 1.00 0.00 ATOM 206 C ASP 32 1.901 43.618 2.447 1.00 0.00 ATOM 207 N MET 33 0.915 43.984 3.229 1.00 0.00 ATOM 208 CA MET 33 -0.353 43.205 3.225 1.00 0.00 ATOM 209 CB MET 33 -0.633 42.632 4.616 1.00 0.00 ATOM 210 CG MET 33 0.370 41.584 5.070 1.00 0.00 ATOM 211 SD MET 33 -0.021 40.903 6.693 1.00 0.00 ATOM 212 CE MET 33 0.473 42.259 7.756 1.00 0.00 ATOM 213 O MET 33 -2.101 43.941 1.770 1.00 0.00 ATOM 214 C MET 33 -1.525 44.105 2.823 1.00 0.00 ATOM 215 N GLU 34 -1.879 45.065 3.635 1.00 0.00 ATOM 216 CA GLU 34 -3.015 45.958 3.264 1.00 0.00 ATOM 217 CB GLU 34 -3.657 46.558 4.517 1.00 0.00 ATOM 218 CG GLU 34 -4.392 45.547 5.383 1.00 0.00 ATOM 219 CD GLU 34 -4.994 46.171 6.625 1.00 0.00 ATOM 220 OE1 GLU 34 -4.845 47.399 6.806 1.00 0.00 ATOM 221 OE2 GLU 34 -5.615 45.434 7.419 1.00 0.00 ATOM 222 O GLU 34 -2.978 48.213 2.435 1.00 0.00 ATOM 223 C GLU 34 -2.507 47.097 2.376 1.00 0.00 ATOM 224 N GLU 35 -1.552 46.805 1.540 1.00 0.00 ATOM 225 CA GLU 35 -1.007 47.837 0.620 1.00 0.00 ATOM 226 CB GLU 35 0.082 47.238 -0.271 1.00 0.00 ATOM 227 CG GLU 35 1.346 46.839 0.477 1.00 0.00 ATOM 228 CD GLU 35 2.011 48.015 1.164 1.00 0.00 ATOM 229 OE1 GLU 35 2.268 49.032 0.487 1.00 0.00 ATOM 230 OE2 GLU 35 2.274 47.920 2.381 1.00 0.00 ATOM 231 O GLU 35 -3.296 48.141 -0.030 1.00 0.00 ATOM 232 C GLU 35 -2.129 48.377 -0.266 1.00 0.00 ATOM 233 N SER 36 -1.773 49.082 -1.301 1.00 0.00 ATOM 234 CA SER 36 -2.795 49.621 -2.237 1.00 0.00 ATOM 235 CB SER 36 -2.967 51.128 -2.036 1.00 0.00 ATOM 236 OG SER 36 -3.565 51.410 -0.783 1.00 0.00 ATOM 237 O SER 36 -1.291 49.824 -4.083 1.00 0.00 ATOM 238 C SER 36 -2.318 49.339 -3.663 1.00 0.00 ATOM 239 N PHE 37 -3.034 48.536 -4.398 1.00 0.00 ATOM 240 CA PHE 37 -2.588 48.202 -5.798 1.00 0.00 ATOM 241 CB PHE 37 -3.755 47.644 -6.614 1.00 0.00 ATOM 242 CG PHE 37 -4.809 48.662 -6.940 1.00 0.00 ATOM 243 CD1 PHE 37 -4.747 49.389 -8.117 1.00 0.00 ATOM 244 CD2 PHE 37 -5.860 48.895 -6.072 1.00 0.00 ATOM 245 CE1 PHE 37 -5.717 50.328 -8.417 1.00 0.00 ATOM 246 CE2 PHE 37 -6.829 49.832 -6.372 1.00 0.00 ATOM 247 CZ PHE 37 -6.761 50.548 -7.539 1.00 0.00 ATOM 248 O PHE 37 -1.279 49.342 -7.443 1.00 0.00 ATOM 249 C PHE 37 -2.055 49.450 -6.514 1.00 0.00 ATOM 250 N ASP 38 -2.441 50.627 -6.105 1.00 0.00 ATOM 251 CA ASP 38 -1.918 51.842 -6.791 1.00 0.00 ATOM 252 CB ASP 38 -3.062 52.798 -7.136 1.00 0.00 ATOM 253 CG ASP 38 -3.821 53.263 -5.909 1.00 0.00 ATOM 254 OD1 ASP 38 -3.556 52.732 -4.810 1.00 0.00 ATOM 255 OD2 ASP 38 -4.678 54.161 -6.046 1.00 0.00 ATOM 256 O ASP 38 -0.950 53.758 -5.721 1.00 0.00 ATOM 257 C ASP 38 -0.932 52.552 -5.866 1.00 0.00 ATOM 258 N ASN 39 -0.075 51.801 -5.239 1.00 0.00 ATOM 259 CA ASN 39 0.924 52.406 -4.314 1.00 0.00 ATOM 260 CB ASN 39 1.347 51.395 -3.246 1.00 0.00 ATOM 261 CG ASN 39 2.079 50.203 -3.828 1.00 0.00 ATOM 262 ND2 ASN 39 2.471 49.272 -2.965 1.00 0.00 ATOM 263 OD1 ASN 39 2.289 50.122 -5.038 1.00 0.00 ATOM 264 O ASN 39 2.996 53.572 -4.645 1.00 0.00 ATOM 265 C ASN 39 2.159 52.831 -5.121 1.00 0.00 ATOM 266 N TYR 40 2.273 52.363 -6.337 1.00 0.00 ATOM 267 CA TYR 40 3.444 52.727 -7.183 1.00 0.00 ATOM 268 CB TYR 40 4.747 52.529 -6.406 1.00 0.00 ATOM 269 CG TYR 40 5.988 52.885 -7.193 1.00 0.00 ATOM 270 CD1 TYR 40 6.359 54.213 -7.376 1.00 0.00 ATOM 271 CD2 TYR 40 6.786 51.895 -7.752 1.00 0.00 ATOM 272 CE1 TYR 40 7.491 54.548 -8.093 1.00 0.00 ATOM 273 CE2 TYR 40 7.922 52.212 -8.471 1.00 0.00 ATOM 274 CZ TYR 40 8.269 53.551 -8.640 1.00 0.00 ATOM 275 OH TYR 40 9.398 53.882 -9.354 1.00 0.00 ATOM 276 O TYR 40 4.348 51.033 -8.617 1.00 0.00 ATOM 277 C TYR 40 3.451 51.829 -8.422 1.00 0.00 ATOM 278 N ASP 41 2.453 51.938 -9.260 1.00 0.00 ATOM 279 CA ASP 41 2.410 51.076 -10.475 1.00 0.00 ATOM 280 CB ASP 41 1.430 49.917 -10.275 1.00 0.00 ATOM 281 CG ASP 41 1.869 48.966 -9.179 1.00 0.00 ATOM 282 OD1 ASP 41 3.032 48.510 -9.218 1.00 0.00 ATOM 283 OD2 ASP 41 1.052 48.677 -8.280 1.00 0.00 ATOM 284 O ASP 41 2.585 52.868 -12.060 1.00 0.00 ATOM 285 C ASP 41 1.956 51.899 -11.682 1.00 0.00 ATOM 286 N LEU 42 0.869 51.516 -12.291 1.00 0.00 ATOM 287 CA LEU 42 0.363 52.266 -13.475 1.00 0.00 ATOM 288 CB LEU 42 1.438 52.335 -14.563 1.00 0.00 ATOM 289 CG LEU 42 1.067 53.104 -15.833 1.00 0.00 ATOM 290 CD1 LEU 42 0.869 54.581 -15.531 1.00 0.00 ATOM 291 CD2 LEU 42 2.164 52.974 -16.879 1.00 0.00 ATOM 292 O LEU 42 -0.880 50.349 -14.185 1.00 0.00 ATOM 293 C LEU 42 -0.868 51.554 -14.031 1.00 0.00 ATOM 294 N ASN 43 -1.908 52.282 -14.330 1.00 0.00 ATOM 295 CA ASN 43 -3.134 51.631 -14.867 1.00 0.00 ATOM 296 CB ASN 43 -2.815 50.867 -16.154 1.00 0.00 ATOM 297 CG ASN 43 -2.470 51.788 -17.307 1.00 0.00 ATOM 298 ND2 ASN 43 -1.670 51.289 -18.243 1.00 0.00 ATOM 299 OD1 ASN 43 -2.921 52.932 -17.356 1.00 0.00 ATOM 300 O ASN 43 -3.139 50.527 -12.741 1.00 0.00 ATOM 301 C ASN 43 -3.678 50.653 -13.823 1.00 0.00 ATOM 302 N SER 44 -4.737 49.958 -14.134 1.00 0.00 ATOM 303 CA SER 44 -5.303 48.991 -13.153 1.00 0.00 ATOM 304 CB SER 44 -6.768 49.320 -12.859 1.00 0.00 ATOM 305 OG SER 44 -7.560 49.208 -14.029 1.00 0.00 ATOM 306 O SER 44 -5.479 46.602 -13.045 1.00 0.00 ATOM 307 C SER 44 -5.217 47.575 -13.725 1.00 0.00 ATOM 308 N SER 45 -4.852 47.448 -14.972 1.00 0.00 ATOM 309 CA SER 45 -4.749 46.093 -15.584 1.00 0.00 ATOM 310 CB SER 45 -4.157 46.185 -16.992 1.00 0.00 ATOM 311 OG SER 45 -2.821 46.658 -16.952 1.00 0.00 ATOM 312 O SER 45 -3.937 43.999 -14.749 1.00 0.00 ATOM 313 C SER 45 -3.846 45.210 -14.721 1.00 0.00 ATOM 314 N LYS 46 -2.973 45.805 -13.956 1.00 0.00 ATOM 315 CA LYS 46 -2.064 44.996 -13.096 1.00 0.00 ATOM 316 CB LYS 46 -0.956 45.874 -12.511 1.00 0.00 ATOM 317 CG LYS 46 0.031 46.397 -13.541 1.00 0.00 ATOM 318 CD LYS 46 1.109 47.249 -12.892 1.00 0.00 ATOM 319 CE LYS 46 2.064 47.818 -13.927 1.00 0.00 ATOM 320 NZ LYS 46 3.117 48.668 -13.306 1.00 0.00 ATOM 321 O LYS 46 -3.052 43.169 -11.890 1.00 0.00 ATOM 322 C LYS 46 -2.862 44.374 -11.947 1.00 0.00 ATOM 323 N ALA 47 -3.338 45.174 -11.031 1.00 0.00 ATOM 324 CA ALA 47 -4.123 44.602 -9.907 1.00 0.00 ATOM 325 CB ALA 47 -4.845 45.705 -9.149 1.00 0.00 ATOM 326 O ALA 47 -5.298 42.532 -9.985 1.00 0.00 ATOM 327 C ALA 47 -5.140 43.626 -10.480 1.00 0.00 ATOM 328 N LEU 48 -5.817 43.993 -11.539 1.00 0.00 ATOM 329 CA LEU 48 -6.790 43.041 -12.135 1.00 0.00 ATOM 330 CB LEU 48 -7.309 43.572 -13.474 1.00 0.00 ATOM 331 CG LEU 48 -8.317 42.686 -14.210 1.00 0.00 ATOM 332 CD1 LEU 48 -9.587 42.522 -13.390 1.00 0.00 ATOM 333 CD2 LEU 48 -8.691 43.298 -15.550 1.00 0.00 ATOM 334 O LEU 48 -6.472 40.700 -11.867 1.00 0.00 ATOM 335 C LEU 48 -6.053 41.726 -12.340 1.00 0.00 ATOM 336 N ILE 49 -4.933 41.756 -13.022 1.00 0.00 ATOM 337 CA ILE 49 -4.160 40.500 -13.228 1.00 0.00 ATOM 338 CB ILE 49 -2.717 40.794 -13.681 1.00 0.00 ATOM 339 CG1 ILE 49 -2.711 41.375 -15.097 1.00 0.00 ATOM 340 CG2 ILE 49 -1.889 39.519 -13.681 1.00 0.00 ATOM 341 CD1 ILE 49 -1.365 41.911 -15.531 1.00 0.00 ATOM 342 O ILE 49 -4.312 38.547 -11.851 1.00 0.00 ATOM 343 C ILE 49 -4.125 39.745 -11.901 1.00 0.00 ATOM 344 N LEU 50 -3.916 40.454 -10.823 1.00 0.00 ATOM 345 CA LEU 50 -3.902 39.793 -9.483 1.00 0.00 ATOM 346 CB LEU 50 -3.651 40.823 -8.381 1.00 0.00 ATOM 347 CG LEU 50 -2.245 41.425 -8.322 1.00 0.00 ATOM 348 CD1 LEU 50 -2.189 42.563 -7.314 1.00 0.00 ATOM 349 CD2 LEU 50 -1.227 40.373 -7.909 1.00 0.00 ATOM 350 O LEU 50 -5.338 37.963 -8.852 1.00 0.00 ATOM 351 C LEU 50 -5.260 39.117 -9.241 1.00 0.00 ATOM 352 N LEU 51 -6.333 39.822 -9.472 1.00 0.00 ATOM 353 CA LEU 51 -7.676 39.220 -9.266 1.00 0.00 ATOM 354 CB LEU 51 -8.774 40.215 -9.646 1.00 0.00 ATOM 355 CG LEU 51 -8.924 41.438 -8.739 1.00 0.00 ATOM 356 CD1 LEU 51 -9.930 42.419 -9.321 1.00 0.00 ATOM 357 CD2 LEU 51 -9.407 41.026 -7.357 1.00 0.00 ATOM 358 O LEU 51 -8.424 37.002 -9.789 1.00 0.00 ATOM 359 C LEU 51 -7.788 37.974 -10.147 1.00 0.00 ATOM 360 N GLY 52 -7.142 37.984 -11.283 1.00 0.00 ATOM 361 CA GLY 52 -7.173 36.794 -12.169 1.00 0.00 ATOM 362 O GLY 52 -6.650 34.541 -11.561 1.00 0.00 ATOM 363 C GLY 52 -6.355 35.714 -11.481 1.00 0.00 ATOM 364 N ARG 53 -5.339 36.122 -10.771 1.00 0.00 ATOM 365 CA ARG 53 -4.509 35.148 -10.028 1.00 0.00 ATOM 366 CB ARG 53 -3.341 35.857 -9.338 1.00 0.00 ATOM 367 CG ARG 53 -2.318 36.445 -10.296 1.00 0.00 ATOM 368 CD ARG 53 -1.503 35.355 -10.972 1.00 0.00 ATOM 369 NE ARG 53 -0.716 34.585 -10.012 1.00 0.00 ATOM 370 CZ ARG 53 0.480 34.951 -9.562 1.00 0.00 ATOM 371 NH1 ARG 53 1.123 34.188 -8.689 1.00 0.00 ATOM 372 NH2 ARG 53 1.031 36.080 -9.987 1.00 0.00 ATOM 373 O ARG 53 -5.244 33.341 -8.639 1.00 0.00 ATOM 374 C ARG 53 -5.408 34.489 -8.989 1.00 0.00 ATOM 375 N LEU 54 -6.375 35.225 -8.509 1.00 0.00 ATOM 376 CA LEU 54 -7.322 34.665 -7.503 1.00 0.00 ATOM 377 CB LEU 54 -8.095 35.789 -6.811 1.00 0.00 ATOM 378 CG LEU 54 -7.270 36.749 -5.950 1.00 0.00 ATOM 379 CD1 LEU 54 -8.142 37.870 -5.408 1.00 0.00 ATOM 380 CD2 LEU 54 -6.650 36.015 -4.769 1.00 0.00 ATOM 381 O LEU 54 -8.838 32.806 -7.624 1.00 0.00 ATOM 382 C LEU 54 -8.315 33.734 -8.207 1.00 0.00 ATOM 383 N GLU 55 -8.595 33.991 -9.455 1.00 0.00 ATOM 384 CA GLU 55 -9.568 33.139 -10.203 1.00 0.00 ATOM 385 CB GLU 55 -10.060 33.864 -11.457 1.00 0.00 ATOM 386 CG GLU 55 -10.902 35.096 -11.172 1.00 0.00 ATOM 387 CD GLU 55 -11.312 35.826 -12.436 1.00 0.00 ATOM 388 OE1 GLU 55 -10.926 35.375 -13.535 1.00 0.00 ATOM 389 OE2 GLU 55 -12.019 36.850 -12.328 1.00 0.00 ATOM 390 O GLU 55 -9.530 30.786 -10.662 1.00 0.00 ATOM 391 C GLU 55 -8.901 31.826 -10.626 1.00 0.00 ATOM 392 N LYS 56 -7.632 31.854 -10.926 1.00 0.00 ATOM 393 CA LYS 56 -6.938 30.596 -11.321 1.00 0.00 ATOM 394 CB LYS 56 -5.663 30.912 -12.106 1.00 0.00 ATOM 395 CG LYS 56 -4.915 29.683 -12.593 1.00 0.00 ATOM 396 CD LYS 56 -3.752 30.065 -13.495 1.00 0.00 ATOM 397 CE LYS 56 -3.042 28.834 -14.034 1.00 0.00 ATOM 398 NZ LYS 56 -1.922 29.194 -14.946 1.00 0.00 ATOM 399 O LYS 56 -6.820 28.651 -9.918 1.00 0.00 ATOM 400 C LYS 56 -6.585 29.838 -10.044 1.00 0.00 ATOM 401 N TRP 57 -6.040 30.535 -9.088 1.00 0.00 ATOM 402 CA TRP 57 -5.684 29.894 -7.796 1.00 0.00 ATOM 403 CB TRP 57 -4.996 30.901 -6.871 1.00 0.00 ATOM 404 CG TRP 57 -4.611 30.329 -5.541 1.00 0.00 ATOM 405 CD1 TRP 57 -5.200 30.588 -4.337 1.00 0.00 ATOM 406 CD2 TRP 57 -3.552 29.401 -5.280 1.00 0.00 ATOM 407 CE2 TRP 57 -3.557 29.142 -3.895 1.00 0.00 ATOM 408 CE3 TRP 57 -2.600 28.763 -6.080 1.00 0.00 ATOM 409 NE1 TRP 57 -4.574 29.878 -3.341 1.00 0.00 ATOM 410 CZ2 TRP 57 -2.649 28.272 -3.294 1.00 0.00 ATOM 411 CZ3 TRP 57 -1.700 27.902 -5.480 1.00 0.00 ATOM 412 CH2 TRP 57 -1.728 27.663 -4.102 1.00 0.00 ATOM 413 O TRP 57 -7.005 28.355 -6.515 1.00 0.00 ATOM 414 C TRP 57 -6.967 29.396 -7.143 1.00 0.00 ATOM 415 N LEU 58 -8.025 30.137 -7.301 1.00 0.00 ATOM 416 CA LEU 58 -9.326 29.730 -6.710 1.00 0.00 ATOM 417 CB LEU 58 -9.565 30.459 -5.387 1.00 0.00 ATOM 418 CG LEU 58 -8.580 30.156 -4.256 1.00 0.00 ATOM 419 CD1 LEU 58 -8.777 31.120 -3.098 1.00 0.00 ATOM 420 CD2 LEU 58 -8.780 28.740 -3.736 1.00 0.00 ATOM 421 O LEU 58 -10.343 30.969 -8.495 1.00 0.00 ATOM 422 C LEU 58 -10.455 30.074 -7.679 1.00 0.00 ATOM 423 N GLY 59 -11.555 29.397 -7.559 1.00 0.00 ATOM 424 CA GLY 59 -12.727 29.689 -8.420 1.00 0.00 ATOM 425 O GLY 59 -14.823 30.471 -7.556 1.00 0.00 ATOM 426 C GLY 59 -13.623 30.634 -7.633 1.00 0.00 ATOM 427 N LYS 60 -13.017 31.608 -7.016 1.00 0.00 ATOM 428 CA LYS 60 -13.782 32.573 -6.183 1.00 0.00 ATOM 429 CB LYS 60 -12.929 33.064 -5.013 1.00 0.00 ATOM 430 CG LYS 60 -12.410 31.954 -4.113 1.00 0.00 ATOM 431 CD LYS 60 -13.550 31.223 -3.425 1.00 0.00 ATOM 432 CE LYS 60 -13.027 30.203 -2.425 1.00 0.00 ATOM 433 NZ LYS 60 -14.133 29.450 -1.771 1.00 0.00 ATOM 434 O LYS 60 -13.525 34.155 -7.968 1.00 0.00 ATOM 435 C LYS 60 -14.197 33.778 -7.027 1.00 0.00 ATOM 436 N GLU 61 -15.313 34.374 -6.707 1.00 0.00 ATOM 437 CA GLU 61 -15.795 35.543 -7.496 1.00 0.00 ATOM 438 CB GLU 61 -17.298 35.744 -7.292 1.00 0.00 ATOM 439 CG GLU 61 -17.900 36.838 -8.159 1.00 0.00 ATOM 440 CD GLU 61 -19.358 37.100 -7.837 1.00 0.00 ATOM 441 OE1 GLU 61 -19.921 36.369 -6.996 1.00 0.00 ATOM 442 OE2 GLU 61 -19.938 38.037 -8.425 1.00 0.00 ATOM 443 O GLU 61 -15.445 37.457 -6.095 1.00 0.00 ATOM 444 C GLU 61 -15.070 36.816 -7.056 1.00 0.00 ATOM 445 N LEU 62 -14.048 37.196 -7.769 1.00 0.00 ATOM 446 CA LEU 62 -13.308 38.439 -7.417 1.00 0.00 ATOM 447 CB LEU 62 -11.890 38.103 -6.949 1.00 0.00 ATOM 448 CG LEU 62 -11.050 39.276 -6.438 1.00 0.00 ATOM 449 CD1 LEU 62 -11.695 39.903 -5.212 1.00 0.00 ATOM 450 CD2 LEU 62 -9.654 38.811 -6.056 1.00 0.00 ATOM 451 O LEU 62 -12.291 39.271 -9.414 1.00 0.00 ATOM 452 C LEU 62 -13.241 39.329 -8.658 1.00 0.00 ATOM 453 N ASN 63 -14.270 40.116 -8.841 1.00 0.00 ATOM 454 CA ASN 63 -14.384 41.023 -9.996 1.00 0.00 ATOM 455 CB ASN 63 -15.832 41.482 -10.178 1.00 0.00 ATOM 456 CG ASN 63 -16.732 40.374 -10.689 1.00 0.00 ATOM 457 ND2 ASN 63 -18.022 40.476 -10.387 1.00 0.00 ATOM 458 OD1 ASN 63 -16.273 39.441 -11.347 1.00 0.00 ATOM 459 O ASN 63 -12.896 42.456 -8.772 1.00 0.00 ATOM 460 C ASN 63 -13.511 42.267 -9.804 1.00 0.00 ATOM 461 N PRO 64 -13.452 43.113 -10.796 1.00 0.00 ATOM 462 CA PRO 64 -12.621 44.342 -10.682 1.00 0.00 ATOM 463 CB PRO 64 -12.663 44.949 -12.086 1.00 0.00 ATOM 464 CG PRO 64 -13.879 44.354 -12.713 1.00 0.00 ATOM 465 CD PRO 64 -14.028 42.983 -12.116 1.00 0.00 ATOM 466 O PRO 64 -12.536 45.857 -8.832 1.00 0.00 ATOM 467 C PRO 64 -13.234 45.270 -9.634 1.00 0.00 ATOM 468 N VAL 65 -14.533 45.407 -9.629 1.00 0.00 ATOM 469 CA VAL 65 -15.179 46.295 -8.624 1.00 0.00 ATOM 470 CB VAL 65 -16.713 46.286 -8.765 1.00 0.00 ATOM 471 CG1 VAL 65 -17.358 47.040 -7.612 1.00 0.00 ATOM 472 CG2 VAL 65 -17.132 46.950 -10.066 1.00 0.00 ATOM 473 O VAL 65 -14.727 46.585 -6.295 1.00 0.00 ATOM 474 C VAL 65 -14.815 45.811 -7.223 1.00 0.00 ATOM 475 N LEU 66 -14.577 44.537 -7.067 1.00 0.00 ATOM 476 CA LEU 66 -14.184 44.007 -5.731 1.00 0.00 ATOM 477 CB LEU 66 -14.364 42.488 -5.682 1.00 0.00 ATOM 478 CG LEU 66 -15.799 41.972 -5.803 1.00 0.00 ATOM 479 CD1 LEU 66 -15.821 40.453 -5.842 1.00 0.00 ATOM 480 CD2 LEU 66 -16.636 42.428 -4.618 1.00 0.00 ATOM 481 O LEU 66 -12.295 44.656 -4.415 1.00 0.00 ATOM 482 C LEU 66 -12.720 44.367 -5.512 1.00 0.00 ATOM 483 N ILE 67 -11.954 44.372 -6.565 1.00 0.00 ATOM 484 CA ILE 67 -10.525 44.747 -6.435 1.00 0.00 ATOM 485 CB ILE 67 -9.746 44.457 -7.732 1.00 0.00 ATOM 486 CG1 ILE 67 -8.241 44.444 -7.458 1.00 0.00 ATOM 487 CG2 ILE 67 -10.036 45.522 -8.778 1.00 0.00 ATOM 488 CD1 ILE 67 -7.417 43.887 -8.599 1.00 0.00 ATOM 489 O ILE 67 -9.497 46.742 -5.597 1.00 0.00 ATOM 490 C ILE 67 -10.464 46.243 -6.131 1.00 0.00 ATOM 491 N PHE 68 -11.514 46.955 -6.458 1.00 0.00 ATOM 492 CA PHE 68 -11.552 48.419 -6.180 1.00 0.00 ATOM 493 CB PHE 68 -12.465 49.130 -7.181 1.00 0.00 ATOM 494 CG PHE 68 -12.487 50.624 -7.027 1.00 0.00 ATOM 495 CD1 PHE 68 -11.438 51.399 -7.492 1.00 0.00 ATOM 496 CD2 PHE 68 -13.556 51.255 -6.415 1.00 0.00 ATOM 497 CE1 PHE 68 -11.459 52.773 -7.348 1.00 0.00 ATOM 498 CE2 PHE 68 -13.577 52.630 -6.274 1.00 0.00 ATOM 499 CZ PHE 68 -12.533 53.388 -6.736 1.00 0.00 ATOM 500 O PHE 68 -11.675 49.553 -4.069 1.00 0.00 ATOM 501 C PHE 68 -12.085 48.645 -4.766 1.00 0.00 ATOM 502 N ASN 69 -12.998 47.815 -4.336 1.00 0.00 ATOM 503 CA ASN 69 -13.570 47.956 -2.969 1.00 0.00 ATOM 504 CB ASN 69 -14.821 47.088 -2.819 1.00 0.00 ATOM 505 CG ASN 69 -16.010 47.643 -3.578 1.00 0.00 ATOM 506 ND2 ASN 69 -16.979 46.783 -3.865 1.00 0.00 ATOM 507 OD1 ASN 69 -16.054 48.830 -3.900 1.00 0.00 ATOM 508 O ASN 69 -12.514 47.941 -0.817 1.00 0.00 ATOM 509 C ASN 69 -12.525 47.515 -1.954 1.00 0.00 ATOM 510 N TYR 70 -11.673 46.630 -2.364 1.00 0.00 ATOM 511 CA TYR 70 -10.633 46.093 -1.450 1.00 0.00 ATOM 512 CB TYR 70 -11.115 44.800 -0.790 1.00 0.00 ATOM 513 CG TYR 70 -12.339 44.974 0.079 1.00 0.00 ATOM 514 CD1 TYR 70 -13.606 44.674 -0.406 1.00 0.00 ATOM 515 CD2 TYR 70 -12.225 45.440 1.383 1.00 0.00 ATOM 516 CE1 TYR 70 -14.730 44.831 0.382 1.00 0.00 ATOM 517 CE2 TYR 70 -13.338 45.605 2.186 1.00 0.00 ATOM 518 CZ TYR 70 -14.598 45.295 1.672 1.00 0.00 ATOM 519 OH TYR 70 -15.716 45.452 2.459 1.00 0.00 ATOM 520 O TYR 70 -8.989 44.677 -2.444 1.00 0.00 ATOM 521 C TYR 70 -9.376 45.813 -2.273 1.00 0.00 ATOM 522 N PRO 71 -8.796 46.868 -2.784 1.00 0.00 ATOM 523 CA PRO 71 -7.594 46.788 -3.633 1.00 0.00 ATOM 524 CB PRO 71 -7.548 48.145 -4.338 1.00 0.00 ATOM 525 CG PRO 71 -8.093 49.105 -3.335 1.00 0.00 ATOM 526 CD PRO 71 -9.207 48.384 -2.629 1.00 0.00 ATOM 527 O PRO 71 -5.400 47.348 -2.878 1.00 0.00 ATOM 528 C PRO 71 -6.315 46.552 -2.825 1.00 0.00 ATOM 529 N THR 72 -6.209 45.467 -2.104 1.00 0.00 ATOM 530 CA THR 72 -4.944 45.227 -1.353 1.00 0.00 ATOM 531 CB THR 72 -4.964 45.918 0.023 1.00 0.00 ATOM 532 CG2 THR 72 -5.254 47.403 -0.132 1.00 0.00 ATOM 533 OG1 THR 72 -5.983 45.329 0.841 1.00 0.00 ATOM 534 O THR 72 -5.534 42.899 -1.470 1.00 0.00 ATOM 535 C THR 72 -4.717 43.724 -1.115 1.00 0.00 ATOM 536 N ILE 73 -3.592 43.365 -0.530 1.00 0.00 ATOM 537 CA ILE 73 -3.283 41.916 -0.287 1.00 0.00 ATOM 538 CB ILE 73 -1.800 41.709 0.073 1.00 0.00 ATOM 539 CG1 ILE 73 -0.911 42.026 -1.133 1.00 0.00 ATOM 540 CG2 ILE 73 -1.550 40.268 0.490 1.00 0.00 ATOM 541 CD1 ILE 73 0.563 42.104 -0.798 1.00 0.00 ATOM 542 O ILE 73 -4.606 40.243 0.787 1.00 0.00 ATOM 543 C ILE 73 -4.115 41.347 0.865 1.00 0.00 ATOM 544 N ALA 74 -4.264 42.065 1.943 1.00 0.00 ATOM 545 CA ALA 74 -5.056 41.517 3.078 1.00 0.00 ATOM 546 CB ALA 74 -4.889 42.391 4.310 1.00 0.00 ATOM 547 O ALA 74 -7.224 40.511 2.888 1.00 0.00 ATOM 548 C ALA 74 -6.526 41.482 2.675 1.00 0.00 ATOM 549 N GLN 75 -6.996 42.544 2.087 1.00 0.00 ATOM 550 CA GLN 75 -8.419 42.606 1.660 1.00 0.00 ATOM 551 CB GLN 75 -8.762 44.003 1.139 1.00 0.00 ATOM 552 CG GLN 75 -8.798 45.074 2.217 1.00 0.00 ATOM 553 CD GLN 75 -9.031 46.462 1.651 1.00 0.00 ATOM 554 OE1 GLN 75 -9.068 46.649 0.435 1.00 0.00 ATOM 555 NE2 GLN 75 -9.190 47.441 2.535 1.00 0.00 ATOM 556 O GLN 75 -9.729 40.997 0.466 1.00 0.00 ATOM 557 C GLN 75 -8.673 41.588 0.540 1.00 0.00 ATOM 558 N LEU 76 -7.714 41.365 -0.326 1.00 0.00 ATOM 559 CA LEU 76 -7.920 40.365 -1.420 1.00 0.00 ATOM 560 CB LEU 76 -6.826 40.499 -2.481 1.00 0.00 ATOM 561 CG LEU 76 -6.863 41.768 -3.336 1.00 0.00 ATOM 562 CD1 LEU 76 -5.642 41.842 -4.243 1.00 0.00 ATOM 563 CD2 LEU 76 -8.107 41.791 -4.211 1.00 0.00 ATOM 564 O LEU 76 -8.821 38.215 -0.858 1.00 0.00 ATOM 565 C LEU 76 -7.869 38.966 -0.815 1.00 0.00 ATOM 566 N ALA 77 -6.750 38.615 -0.251 1.00 0.00 ATOM 567 CA ALA 77 -6.613 37.276 0.369 1.00 0.00 ATOM 568 CB ALA 77 -5.309 37.182 1.146 1.00 0.00 ATOM 569 O ALA 77 -8.200 35.946 1.556 1.00 0.00 ATOM 570 C ALA 77 -7.783 37.054 1.319 1.00 0.00 ATOM 571 N LYS 78 -8.324 38.100 1.867 1.00 0.00 ATOM 572 CA LYS 78 -9.476 37.926 2.792 1.00 0.00 ATOM 573 CB LYS 78 -9.619 39.148 3.702 1.00 0.00 ATOM 574 CG LYS 78 -10.718 39.019 4.745 1.00 0.00 ATOM 575 CD LYS 78 -10.721 40.206 5.694 1.00 0.00 ATOM 576 CE LYS 78 -11.833 40.088 6.723 1.00 0.00 ATOM 577 NZ LYS 78 -11.837 41.236 7.673 1.00 0.00 ATOM 578 O LYS 78 -11.642 37.018 2.319 1.00 0.00 ATOM 579 C LYS 78 -10.748 37.759 1.959 1.00 0.00 ATOM 580 N ARG 79 -10.833 38.422 0.840 1.00 0.00 ATOM 581 CA ARG 79 -12.040 38.265 -0.015 1.00 0.00 ATOM 582 CB ARG 79 -11.943 39.165 -1.248 1.00 0.00 ATOM 583 CG ARG 79 -13.144 39.076 -2.176 1.00 0.00 ATOM 584 CD ARG 79 -14.414 39.536 -1.482 1.00 0.00 ATOM 585 NE ARG 79 -15.576 39.475 -2.367 1.00 0.00 ATOM 586 CZ ARG 79 -16.830 39.649 -1.967 1.00 0.00 ATOM 587 NH1 ARG 79 -17.823 39.575 -2.842 1.00 0.00 ATOM 588 NH2 ARG 79 -17.091 39.895 -0.689 1.00 0.00 ATOM 589 O ARG 79 -13.176 36.229 -0.594 1.00 0.00 ATOM 590 C ARG 79 -12.115 36.802 -0.445 1.00 0.00 ATOM 591 N LEU 80 -10.975 36.197 -0.623 1.00 0.00 ATOM 592 CA LEU 80 -10.922 34.757 -1.020 1.00 0.00 ATOM 593 CB LEU 80 -9.657 34.471 -1.829 1.00 0.00 ATOM 594 CG LEU 80 -9.731 34.763 -3.330 1.00 0.00 ATOM 595 CD1 LEU 80 -10.124 36.211 -3.576 1.00 0.00 ATOM 596 CD2 LEU 80 -8.385 34.516 -3.993 1.00 0.00 ATOM 597 O LEU 80 -11.896 33.289 0.616 1.00 0.00 ATOM 598 C LEU 80 -10.920 33.915 0.247 1.00 0.00 ATOM 599 N GLY 81 -9.805 33.920 0.909 1.00 0.00 ATOM 600 CA GLY 81 -9.638 33.157 2.168 1.00 0.00 ATOM 601 O GLY 81 -11.211 32.360 3.792 1.00 0.00 ATOM 602 C GLY 81 -10.916 33.240 3.008 1.00 0.00 TER END