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 second-best template (1l0iA), METHOD with sidechains optimized by SCWRL. METHOD The alignment was made with a 3-track HMM: METHOD T0221-1l0iA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5.a2m REMARK 6 REMARK 6 T0221 model 5 Fri Jul 16 16:36:37 2004 MODEL 5 PARENT 1l0i_A ATOM 2 N ILE 12 -2.012 30.821 1.912 1.00 0.00 ATOM 3 CA ILE 12 -2.719 31.694 0.959 1.00 0.00 ATOM 4 CB ILE 12 -4.228 31.752 1.258 1.00 0.00 ATOM 5 CG1 ILE 12 -4.880 30.396 0.980 1.00 0.00 ATOM 6 CG2 ILE 12 -4.904 32.799 0.386 1.00 0.00 ATOM 7 CD1 ILE 12 -6.298 30.284 1.495 1.00 0.00 ATOM 8 O ILE 12 -2.002 33.716 -0.010 1.00 0.00 ATOM 9 C ILE 12 -2.167 33.084 1.043 1.00 0.00 ATOM 10 N GLN 13 -1.832 33.638 2.183 1.00 0.00 ATOM 11 CA GLN 13 -1.169 34.952 2.244 1.00 0.00 ATOM 12 CB GLN 13 -0.739 35.269 3.677 1.00 0.00 ATOM 13 CG GLN 13 -0.085 36.632 3.843 1.00 0.00 ATOM 14 CD GLN 13 0.307 36.920 5.279 1.00 0.00 ATOM 15 OE1 GLN 13 0.166 36.066 6.154 1.00 0.00 ATOM 16 NE2 GLN 13 0.800 38.127 5.525 1.00 0.00 ATOM 17 O GLN 13 0.259 35.895 0.588 1.00 0.00 ATOM 18 C GLN 13 0.069 34.986 1.365 1.00 0.00 ATOM 19 N SER 14 0.943 33.962 1.509 1.00 0.00 ATOM 20 CA SER 14 2.163 33.937 0.707 1.00 0.00 ATOM 21 CB SER 14 3.031 32.735 1.088 1.00 0.00 ATOM 22 OG SER 14 3.513 32.855 2.415 1.00 0.00 ATOM 23 O SER 14 2.494 34.514 -1.606 1.00 0.00 ATOM 24 C SER 14 1.856 33.837 -0.771 1.00 0.00 ATOM 25 N TRP 15 0.891 33.019 -1.172 1.00 0.00 ATOM 26 CA TRP 15 0.624 32.826 -2.583 1.00 0.00 ATOM 27 CB TRP 15 -0.300 31.623 -2.794 1.00 0.00 ATOM 28 CG TRP 15 0.349 30.308 -2.491 1.00 0.00 ATOM 29 CD1 TRP 15 1.677 30.082 -2.268 1.00 0.00 ATOM 30 CD2 TRP 15 -0.300 29.036 -2.377 1.00 0.00 ATOM 31 CE2 TRP 15 0.696 28.084 -2.083 1.00 0.00 ATOM 32 CE3 TRP 15 -1.626 28.609 -2.494 1.00 0.00 ATOM 33 NE1 TRP 15 1.896 28.748 -2.022 1.00 0.00 ATOM 34 CZ2 TRP 15 0.408 26.732 -1.904 1.00 0.00 ATOM 35 CZ3 TRP 15 -1.907 27.268 -2.316 1.00 0.00 ATOM 36 CH2 TRP 15 -0.898 26.344 -2.025 1.00 0.00 ATOM 37 O TRP 15 0.311 34.441 -4.293 1.00 0.00 ATOM 38 C TRP 15 -0.043 34.046 -3.172 1.00 0.00 ATOM 39 N LEU 16 -0.928 34.689 -2.425 1.00 0.00 ATOM 40 CA LEU 16 -1.521 35.928 -2.953 1.00 0.00 ATOM 41 CB LEU 16 -2.600 36.452 -2.003 1.00 0.00 ATOM 42 CG LEU 16 -3.883 35.622 -1.910 1.00 0.00 ATOM 43 CD1 LEU 16 -4.785 36.151 -0.805 1.00 0.00 ATOM 44 CD2 LEU 16 -4.653 35.675 -3.220 1.00 0.00 ATOM 45 O LEU 16 -0.386 37.671 -4.149 1.00 0.00 ATOM 46 C LEU 16 -0.454 36.989 -3.106 1.00 0.00 ATOM 47 N ILE 17 0.453 37.149 -2.129 1.00 0.00 ATOM 48 CA ILE 17 1.497 38.164 -2.236 1.00 0.00 ATOM 49 CB ILE 17 2.332 38.253 -0.946 1.00 0.00 ATOM 50 CG1 ILE 17 1.485 38.808 0.201 1.00 0.00 ATOM 51 CG2 ILE 17 3.528 39.170 -1.147 1.00 0.00 ATOM 52 CD1 ILE 17 2.141 38.687 1.558 1.00 0.00 ATOM 53 O ILE 17 2.956 38.786 -4.034 1.00 0.00 ATOM 54 C ILE 17 2.459 37.861 -3.381 1.00 0.00 ATOM 55 N ASP 18 2.730 36.564 -3.635 1.00 0.00 ATOM 56 CA ASP 18 3.602 36.213 -4.750 1.00 0.00 ATOM 57 CB ASP 18 3.866 34.706 -4.769 1.00 0.00 ATOM 58 CG ASP 18 4.788 34.262 -3.649 1.00 0.00 ATOM 59 OD1 ASP 18 5.414 35.138 -3.014 1.00 0.00 ATOM 60 OD2 ASP 18 4.883 33.042 -3.407 1.00 0.00 ATOM 61 O ASP 18 3.625 37.193 -6.907 1.00 0.00 ATOM 62 C ASP 18 2.956 36.605 -6.063 1.00 0.00 ATOM 63 N GLN 19 1.671 36.301 -6.236 1.00 0.00 ATOM 64 CA GLN 19 1.008 36.686 -7.493 1.00 0.00 ATOM 65 CB GLN 19 -0.439 36.189 -7.510 1.00 0.00 ATOM 66 CG GLN 19 -0.575 34.677 -7.579 1.00 0.00 ATOM 67 CD GLN 19 0.027 34.095 -8.843 1.00 0.00 ATOM 68 OE1 GLN 19 -0.185 34.614 -9.938 1.00 0.00 ATOM 69 NE2 GLN 19 0.781 33.011 -8.694 1.00 0.00 ATOM 70 O GLN 19 1.255 38.748 -8.759 1.00 0.00 ATOM 71 C GLN 19 0.987 38.188 -7.669 1.00 0.00 ATOM 72 N PHE 20 0.706 38.939 -6.609 1.00 0.00 ATOM 73 CA PHE 20 0.731 40.401 -6.719 1.00 0.00 ATOM 74 CB PHE 20 0.373 41.044 -5.378 1.00 0.00 ATOM 75 CG PHE 20 -1.063 40.859 -4.981 1.00 0.00 ATOM 76 CD1 PHE 20 -1.999 40.417 -5.899 1.00 0.00 ATOM 77 CD2 PHE 20 -1.480 41.128 -3.688 1.00 0.00 ATOM 78 CE1 PHE 20 -3.321 40.247 -5.533 1.00 0.00 ATOM 79 CE2 PHE 20 -2.801 40.957 -3.322 1.00 0.00 ATOM 80 CZ PHE 20 -3.721 40.519 -4.239 1.00 0.00 ATOM 81 O PHE 20 2.191 41.778 -8.011 1.00 0.00 ATOM 82 C PHE 20 2.093 40.932 -7.126 1.00 0.00 ATOM 83 N ALA 21 3.152 40.425 -6.439 1.00 0.00 ATOM 84 CA ALA 21 4.489 40.900 -6.797 1.00 0.00 ATOM 85 CB ALA 21 5.540 40.237 -5.919 1.00 0.00 ATOM 86 O ALA 21 5.463 41.437 -8.953 1.00 0.00 ATOM 87 C ALA 21 4.863 40.606 -8.234 1.00 0.00 ATOM 88 N GLN 22 4.545 39.407 -8.685 1.00 0.00 ATOM 89 CA GLN 22 4.828 39.001 -10.055 1.00 0.00 ATOM 90 CB GLN 22 4.424 37.543 -10.278 1.00 0.00 ATOM 91 CG GLN 22 5.315 36.536 -9.567 1.00 0.00 ATOM 92 CD GLN 22 4.807 35.114 -9.700 1.00 0.00 ATOM 93 OE1 GLN 22 3.737 34.876 -10.260 1.00 0.00 ATOM 94 NE2 GLN 22 5.577 34.163 -9.182 1.00 0.00 ATOM 95 O GLN 22 4.637 40.346 -12.040 1.00 0.00 ATOM 96 C GLN 22 4.074 39.846 -11.061 1.00 0.00 ATOM 97 N GLN 23 2.764 40.022 -10.868 1.00 0.00 ATOM 98 CA GLN 23 1.921 40.778 -11.802 1.00 0.00 ATOM 99 CB GLN 23 0.455 40.715 -11.372 1.00 0.00 ATOM 100 CG GLN 23 -0.169 39.335 -11.492 1.00 0.00 ATOM 101 CD GLN 23 -0.185 38.826 -12.921 1.00 0.00 ATOM 102 OE1 GLN 23 -0.533 39.559 -13.848 1.00 0.00 ATOM 103 NE2 GLN 23 0.195 37.567 -13.104 1.00 0.00 ATOM 104 O GLN 23 2.330 42.815 -12.948 1.00 0.00 ATOM 105 C GLN 23 2.323 42.231 -11.862 1.00 0.00 ATOM 106 N LEU 24 2.640 42.824 -10.719 1.00 0.00 ATOM 107 CA LEU 24 2.918 44.266 -10.685 1.00 0.00 ATOM 108 CB LEU 24 2.471 44.867 -9.351 1.00 0.00 ATOM 109 CG LEU 24 0.976 44.783 -9.039 1.00 0.00 ATOM 110 CD1 LEU 24 0.687 45.324 -7.647 1.00 0.00 ATOM 111 CD2 LEU 24 0.169 45.593 -10.040 1.00 0.00 ATOM 112 O LEU 24 4.762 45.750 -10.899 1.00 0.00 ATOM 113 C LEU 24 4.395 44.572 -10.850 1.00 0.00 ATOM 114 N ASP 25 5.281 43.557 -10.924 1.00 0.00 ATOM 115 CA ASP 25 6.730 43.822 -11.038 1.00 0.00 ATOM 116 CB ASP 25 7.018 44.712 -12.249 1.00 0.00 ATOM 117 CG ASP 25 6.671 44.038 -13.562 1.00 0.00 ATOM 118 OD1 ASP 25 7.112 42.889 -13.776 1.00 0.00 ATOM 119 OD2 ASP 25 5.957 44.658 -14.378 1.00 0.00 ATOM 120 O ASP 25 8.103 45.429 -9.882 1.00 0.00 ATOM 121 C ASP 25 7.267 44.526 -9.805 1.00 0.00 ATOM 122 N VAL 26 6.755 44.139 -8.629 1.00 0.00 ATOM 123 CA VAL 26 7.176 44.741 -7.370 1.00 0.00 ATOM 124 CB VAL 26 5.974 45.294 -6.580 1.00 0.00 ATOM 125 CG1 VAL 26 5.290 46.405 -7.362 1.00 0.00 ATOM 126 CG2 VAL 26 4.957 44.193 -6.319 1.00 0.00 ATOM 127 O VAL 26 7.558 42.507 -6.550 1.00 0.00 ATOM 128 C VAL 26 7.871 43.694 -6.515 1.00 0.00 ATOM 129 N ASP 27 8.845 44.142 -5.731 1.00 0.00 ATOM 130 CA ASP 27 9.611 43.226 -4.871 1.00 0.00 ATOM 131 CB ASP 27 10.901 43.892 -4.393 1.00 0.00 ATOM 132 CG ASP 27 11.925 44.043 -5.502 1.00 0.00 ATOM 133 OD1 ASP 27 11.735 43.430 -6.573 1.00 0.00 ATOM 134 OD2 ASP 27 12.917 44.775 -5.298 1.00 0.00 ATOM 135 O ASP 27 7.976 43.605 -3.125 1.00 0.00 ATOM 136 C ASP 27 8.787 42.837 -3.656 1.00 0.00 ATOM 137 N PRO 28 8.997 41.591 -3.201 1.00 0.00 ATOM 138 CA PRO 28 8.187 41.019 -2.117 1.00 0.00 ATOM 139 CB PRO 28 8.863 39.679 -1.818 1.00 0.00 ATOM 140 CG PRO 28 9.470 39.269 -3.117 1.00 0.00 ATOM 141 CD PRO 28 10.011 40.525 -3.740 1.00 0.00 ATOM 142 O PRO 28 7.091 42.066 -0.291 1.00 0.00 ATOM 143 C PRO 28 8.162 41.897 -0.879 1.00 0.00 ATOM 144 N ASP 29 9.312 42.439 -0.488 1.00 0.00 ATOM 145 CA ASP 29 9.395 43.233 0.727 1.00 0.00 ATOM 146 CB ASP 29 10.826 43.732 0.943 1.00 0.00 ATOM 147 CG ASP 29 11.772 42.626 1.370 1.00 0.00 ATOM 148 OD1 ASP 29 11.284 41.531 1.717 1.00 0.00 ATOM 149 OD2 ASP 29 12.998 42.855 1.356 1.00 0.00 ATOM 150 O ASP 29 8.111 44.994 1.703 1.00 0.00 ATOM 151 C ASP 29 8.480 44.445 0.661 1.00 0.00 ATOM 152 N ASP 30 8.126 44.869 -0.572 1.00 0.00 ATOM 153 CA ASP 30 7.268 46.035 -0.781 1.00 0.00 ATOM 154 CB ASP 30 7.552 46.672 -2.144 1.00 0.00 ATOM 155 CG ASP 30 8.953 47.243 -2.238 1.00 0.00 ATOM 156 OD1 ASP 30 9.353 47.989 -1.318 1.00 0.00 ATOM 157 OD2 ASP 30 9.650 46.947 -3.230 1.00 0.00 ATOM 158 O ASP 30 4.914 46.499 -0.584 1.00 0.00 ATOM 159 C ASP 30 5.804 45.633 -0.735 1.00 0.00 ATOM 160 N ILE 31 5.517 44.343 -0.855 1.00 0.00 ATOM 161 CA ILE 31 4.115 43.904 -0.837 1.00 0.00 ATOM 162 CB ILE 31 3.923 42.597 -1.629 1.00 0.00 ATOM 163 CG1 ILE 31 4.390 42.774 -3.074 1.00 0.00 ATOM 164 CG2 ILE 31 2.458 42.192 -1.641 1.00 0.00 ATOM 165 CD1 ILE 31 4.491 41.479 -3.847 1.00 0.00 ATOM 166 O ILE 31 3.569 42.549 1.092 1.00 0.00 ATOM 167 C ILE 31 3.705 43.675 0.613 1.00 0.00 ATOM 168 N ASP 32 3.492 44.787 1.323 1.00 0.00 ATOM 169 CA ASP 32 3.043 44.712 2.716 1.00 0.00 ATOM 170 CB ASP 32 3.337 46.025 3.444 1.00 0.00 ATOM 171 CG ASP 32 4.815 46.223 3.717 1.00 0.00 ATOM 172 OD1 ASP 32 5.582 45.248 3.569 1.00 0.00 ATOM 173 OD2 ASP 32 5.208 47.353 4.076 1.00 0.00 ATOM 174 O ASP 32 0.813 44.714 1.776 1.00 0.00 ATOM 175 C ASP 32 1.553 44.451 2.737 1.00 0.00 ATOM 176 N MET 33 1.046 43.946 3.833 1.00 0.00 ATOM 177 CA MET 33 -0.367 43.581 3.873 1.00 0.00 ATOM 178 CB MET 33 -0.707 42.900 5.200 1.00 0.00 ATOM 179 CG MET 33 -0.071 41.530 5.377 1.00 0.00 ATOM 180 SD MET 33 -0.559 40.369 4.086 1.00 0.00 ATOM 181 CE MET 33 -2.295 40.146 4.469 1.00 0.00 ATOM 182 O MET 33 -2.366 44.650 3.166 1.00 0.00 ATOM 183 C MET 33 -1.285 44.779 3.735 1.00 0.00 ATOM 184 N GLU 34 -0.862 45.955 4.195 1.00 0.00 ATOM 185 CA GLU 34 -1.719 47.124 4.109 1.00 0.00 ATOM 186 CB GLU 34 -1.502 48.036 5.319 1.00 0.00 ATOM 187 CG GLU 34 -1.941 47.426 6.641 1.00 0.00 ATOM 188 CD GLU 34 -1.676 48.342 7.820 1.00 0.00 ATOM 189 OE1 GLU 34 -1.191 49.472 7.598 1.00 0.00 ATOM 190 OE2 GLU 34 -1.955 47.931 8.966 1.00 0.00 ATOM 191 O GLU 34 -1.997 49.031 2.670 1.00 0.00 ATOM 192 C GLU 34 -1.427 47.936 2.850 1.00 0.00 ATOM 193 N GLU 35 -0.577 47.446 1.959 1.00 0.00 ATOM 194 CA GLU 35 -0.262 48.207 0.750 1.00 0.00 ATOM 195 CB GLU 35 0.852 47.517 -0.042 1.00 0.00 ATOM 196 CG GLU 35 2.196 47.497 0.668 1.00 0.00 ATOM 197 CD GLU 35 2.850 48.863 0.717 1.00 0.00 ATOM 198 OE1 GLU 35 2.348 49.787 0.043 1.00 0.00 ATOM 199 OE2 GLU 35 3.865 49.011 1.431 1.00 0.00 ATOM 200 O GLU 35 -2.179 47.398 -0.484 1.00 0.00 ATOM 201 C GLU 35 -1.454 48.360 -0.198 1.00 0.00 ATOM 202 N SER 36 -1.659 49.574 -0.691 1.00 0.00 ATOM 203 CA SER 36 -2.591 49.841 -1.795 1.00 0.00 ATOM 204 CB SER 36 -2.940 51.329 -1.855 1.00 0.00 ATOM 205 OG SER 36 -3.751 51.619 -2.980 1.00 0.00 ATOM 206 O SER 36 -0.902 49.820 -3.475 1.00 0.00 ATOM 207 C SER 36 -2.001 49.449 -3.145 1.00 0.00 ATOM 208 N PHE 37 -2.788 48.711 -3.938 1.00 0.00 ATOM 209 CA PHE 37 -2.288 48.357 -5.251 1.00 0.00 ATOM 210 CB PHE 37 -3.342 47.570 -6.031 1.00 0.00 ATOM 211 CG PHE 37 -3.594 46.190 -5.491 1.00 0.00 ATOM 212 CD1 PHE 37 -2.724 45.621 -4.578 1.00 0.00 ATOM 213 CD2 PHE 37 -4.700 45.464 -5.897 1.00 0.00 ATOM 214 CE1 PHE 37 -2.955 44.352 -4.080 1.00 0.00 ATOM 215 CE2 PHE 37 -4.929 44.195 -5.399 1.00 0.00 ATOM 216 CZ PHE 37 -4.064 43.639 -4.495 1.00 0.00 ATOM 217 O PHE 37 -0.839 49.655 -6.656 1.00 0.00 ATOM 218 C PHE 37 -1.932 49.594 -6.059 1.00 0.00 ATOM 219 N ASP 38 -2.860 50.552 -6.097 1.00 0.00 ATOM 220 CA ASP 38 -2.619 51.741 -6.900 1.00 0.00 ATOM 221 CB ASP 38 -3.937 52.454 -7.211 1.00 0.00 ATOM 222 CG ASP 38 -3.783 53.529 -8.269 1.00 0.00 ATOM 223 OD1 ASP 38 -2.711 53.585 -8.906 1.00 0.00 ATOM 224 OD2 ASP 38 -4.735 54.316 -8.457 1.00 0.00 ATOM 225 O ASP 38 -0.810 53.331 -6.801 1.00 0.00 ATOM 226 C ASP 38 -1.715 52.738 -6.195 1.00 0.00 ATOM 227 N ASN 39 0.433 52.343 -3.494 1.00 0.00 ATOM 228 CA ASN 39 1.735 51.928 -3.011 1.00 0.00 ATOM 229 CB ASN 39 1.593 51.122 -1.718 1.00 0.00 ATOM 230 CG ASN 39 1.226 51.988 -0.529 1.00 0.00 ATOM 231 ND2 ASN 39 0.693 51.362 0.514 1.00 0.00 ATOM 232 OD1 ASN 39 1.422 53.203 -0.550 1.00 0.00 ATOM 233 O ASN 39 3.699 51.141 -4.054 1.00 0.00 ATOM 234 C ASN 39 2.488 51.046 -4.017 1.00 0.00 ATOM 235 N TYR 40 1.757 50.188 -4.742 1.00 0.00 ATOM 236 CA TYR 40 2.413 49.193 -5.577 1.00 0.00 ATOM 237 CB TYR 40 1.732 47.832 -5.424 1.00 0.00 ATOM 238 CG TYR 40 1.837 47.248 -4.033 1.00 0.00 ATOM 239 CD1 TYR 40 0.749 47.267 -3.170 1.00 0.00 ATOM 240 CD2 TYR 40 3.023 46.679 -3.588 1.00 0.00 ATOM 241 CE1 TYR 40 0.835 46.736 -1.897 1.00 0.00 ATOM 242 CE2 TYR 40 3.128 46.143 -2.318 1.00 0.00 ATOM 243 CZ TYR 40 2.020 46.176 -1.472 1.00 0.00 ATOM 244 OH TYR 40 2.109 45.646 -0.205 1.00 0.00 ATOM 245 O TYR 40 2.653 48.710 -7.916 1.00 0.00 ATOM 246 C TYR 40 2.374 49.557 -7.049 1.00 0.00 ATOM 247 N ASP 41 2.063 50.822 -7.414 1.00 0.00 ATOM 248 CA ASP 41 2.225 51.341 -8.751 1.00 0.00 ATOM 249 CB ASP 41 3.645 51.087 -9.257 1.00 0.00 ATOM 250 CG ASP 41 4.697 51.786 -8.418 1.00 0.00 ATOM 251 OD1 ASP 41 4.525 52.990 -8.133 1.00 0.00 ATOM 252 OD2 ASP 41 5.693 51.131 -8.045 1.00 0.00 ATOM 253 O ASP 41 1.600 50.835 -10.965 1.00 0.00 ATOM 254 C ASP 41 1.292 50.732 -9.774 1.00 0.00 ATOM 255 N LEU 42 0.185 50.110 -9.376 1.00 0.00 ATOM 256 CA LEU 42 -0.671 49.464 -10.356 1.00 0.00 ATOM 257 CB LEU 42 -1.782 48.677 -9.660 1.00 0.00 ATOM 258 CG LEU 42 -2.710 47.868 -10.568 1.00 0.00 ATOM 259 CD1 LEU 42 -1.947 46.746 -11.256 1.00 0.00 ATOM 260 CD2 LEU 42 -3.844 47.249 -9.765 1.00 0.00 ATOM 261 O LEU 42 -1.909 51.481 -10.828 1.00 0.00 ATOM 262 C LEU 42 -1.321 50.499 -11.278 1.00 0.00 ATOM 263 N ASN 43 -1.226 50.176 -12.562 1.00 0.00 ATOM 264 CA ASN 43 -1.877 51.038 -13.561 1.00 0.00 ATOM 265 CB ASN 43 -0.986 51.198 -14.794 1.00 0.00 ATOM 266 CG ASN 43 -0.814 49.903 -15.562 1.00 0.00 ATOM 267 ND2 ASN 43 0.094 49.906 -16.531 1.00 0.00 ATOM 268 OD1 ASN 43 -1.490 48.912 -15.285 1.00 0.00 ATOM 269 O ASN 43 -3.617 49.348 -13.425 1.00 0.00 ATOM 270 C ASN 43 -3.202 50.393 -13.972 1.00 0.00 ATOM 271 N SER 44 -3.928 50.964 -14.926 1.00 0.00 ATOM 272 CA SER 44 -5.277 50.444 -15.137 1.00 0.00 ATOM 273 CB SER 44 -6.046 51.331 -16.118 1.00 0.00 ATOM 274 OG SER 44 -6.274 52.617 -15.571 1.00 0.00 ATOM 275 O SER 44 -6.073 48.222 -15.316 1.00 0.00 ATOM 276 C SER 44 -5.238 49.031 -15.708 1.00 0.00 ATOM 277 N SER 45 -4.339 48.718 -16.620 1.00 0.00 ATOM 278 CA SER 45 -4.265 47.335 -17.088 1.00 0.00 ATOM 279 CB SER 45 -3.137 47.175 -18.110 1.00 0.00 ATOM 280 OG SER 45 -3.412 47.906 -19.292 1.00 0.00 ATOM 281 O SER 45 -4.559 45.287 -15.827 1.00 0.00 ATOM 282 C SER 45 -3.998 46.386 -15.928 1.00 0.00 ATOM 283 N LYS 46 -3.103 46.804 -15.039 1.00 0.00 ATOM 284 CA LYS 46 -2.657 45.956 -13.940 1.00 0.00 ATOM 285 CB LYS 46 -1.677 46.715 -13.042 1.00 0.00 ATOM 286 CG LYS 46 -0.324 46.979 -13.682 1.00 0.00 ATOM 287 CD LYS 46 0.597 47.732 -12.736 1.00 0.00 ATOM 288 CE LYS 46 1.942 48.017 -13.386 1.00 0.00 ATOM 289 NZ LYS 46 2.844 48.784 -12.482 1.00 0.00 ATOM 290 O LYS 46 -3.892 44.388 -12.607 1.00 0.00 ATOM 291 C LYS 46 -3.860 45.525 -13.107 1.00 0.00 ATOM 292 N ALA 47 -4.800 46.457 -12.937 1.00 0.00 ATOM 293 CA ALA 47 -5.906 46.077 -12.058 1.00 0.00 ATOM 294 CB ALA 47 -6.886 47.231 -11.910 1.00 0.00 ATOM 295 O ALA 47 -6.957 43.926 -11.892 1.00 0.00 ATOM 296 C ALA 47 -6.648 44.876 -12.642 1.00 0.00 ATOM 297 N LEU 48 -6.941 44.870 -13.942 1.00 0.00 ATOM 298 CA LEU 48 -7.697 43.734 -14.493 1.00 0.00 ATOM 299 CB LEU 48 -8.232 44.070 -15.886 1.00 0.00 ATOM 300 CG LEU 48 -9.318 45.146 -15.954 1.00 0.00 ATOM 301 CD1 LEU 48 -9.643 45.489 -17.400 1.00 0.00 ATOM 302 CD2 LEU 48 -10.593 44.665 -15.280 1.00 0.00 ATOM 303 O LEU 48 -7.227 41.379 -14.379 1.00 0.00 ATOM 304 C LEU 48 -6.798 42.514 -14.596 1.00 0.00 ATOM 305 N ILE 49 -5.516 42.666 -14.900 1.00 0.00 ATOM 306 CA ILE 49 -4.674 41.477 -14.995 1.00 0.00 ATOM 307 CB ILE 49 -3.305 41.801 -15.617 1.00 0.00 ATOM 308 CG1 ILE 49 -3.463 42.180 -17.091 1.00 0.00 ATOM 309 CG2 ILE 49 -2.379 40.599 -15.526 1.00 0.00 ATOM 310 CD1 ILE 49 -2.214 42.764 -17.711 1.00 0.00 ATOM 311 O ILE 49 -4.269 39.654 -13.493 1.00 0.00 ATOM 312 C ILE 49 -4.425 40.875 -13.623 1.00 0.00 ATOM 313 N LEU 50 -4.368 41.668 -12.574 1.00 0.00 ATOM 314 CA LEU 50 -4.206 41.117 -11.236 1.00 0.00 ATOM 315 CB LEU 50 -4.039 42.241 -10.211 1.00 0.00 ATOM 316 CG LEU 50 -3.872 41.809 -8.752 1.00 0.00 ATOM 317 CD1 LEU 50 -2.628 40.951 -8.584 1.00 0.00 ATOM 318 CD2 LEU 50 -3.740 43.021 -7.844 1.00 0.00 ATOM 319 O LEU 50 -5.274 39.192 -10.314 1.00 0.00 ATOM 320 C LEU 50 -5.403 40.291 -10.824 1.00 0.00 ATOM 321 N LEU 51 -6.602 40.841 -11.071 1.00 0.00 ATOM 322 CA LEU 51 -7.820 40.056 -10.798 1.00 0.00 ATOM 323 CB LEU 51 -9.065 40.832 -11.234 1.00 0.00 ATOM 324 CG LEU 51 -10.408 40.130 -11.025 1.00 0.00 ATOM 325 CD1 LEU 51 -10.647 39.853 -9.548 1.00 0.00 ATOM 326 CD2 LEU 51 -11.552 40.993 -11.537 1.00 0.00 ATOM 327 O LEU 51 -8.060 37.686 -11.000 1.00 0.00 ATOM 328 C LEU 51 -7.785 38.735 -11.557 1.00 0.00 ATOM 329 N GLY 52 -7.435 38.802 -12.840 1.00 0.00 ATOM 330 CA GLY 52 -7.368 37.574 -13.649 1.00 0.00 ATOM 331 O GLY 52 -6.683 35.362 -12.998 1.00 0.00 ATOM 332 C GLY 52 -6.382 36.569 -13.090 1.00 0.00 ATOM 333 N ARG 53 -5.190 37.040 -12.657 1.00 0.00 ATOM 334 CA ARG 53 -4.169 36.152 -12.119 1.00 0.00 ATOM 335 CB ARG 53 -2.888 36.931 -11.811 1.00 0.00 ATOM 336 CG ARG 53 -1.794 36.096 -11.167 1.00 0.00 ATOM 337 CD ARG 53 -1.341 34.974 -12.085 1.00 0.00 ATOM 338 NE ARG 53 -0.689 35.483 -13.290 1.00 0.00 ATOM 339 CZ ARG 53 -0.393 34.737 -14.349 1.00 0.00 ATOM 340 NH1 ARG 53 0.201 35.287 -15.401 1.00 0.00 ATOM 341 NH2 ARG 53 -0.690 33.445 -14.356 1.00 0.00 ATOM 342 O ARG 53 -4.334 34.337 -10.605 1.00 0.00 ATOM 343 C ARG 53 -4.639 35.488 -10.830 1.00 0.00 ATOM 344 N LEU 54 -5.303 36.236 -9.969 1.00 0.00 ATOM 345 CA LEU 54 -5.804 35.666 -8.713 1.00 0.00 ATOM 346 CB LEU 54 -6.396 36.763 -7.826 1.00 0.00 ATOM 347 CG LEU 54 -5.403 37.768 -7.237 1.00 0.00 ATOM 348 CD1 LEU 54 -6.137 38.898 -6.530 1.00 0.00 ATOM 349 CD2 LEU 54 -4.487 37.092 -6.229 1.00 0.00 ATOM 350 O LEU 54 -6.978 33.588 -8.435 1.00 0.00 ATOM 351 C LEU 54 -6.877 34.651 -9.050 1.00 0.00 ATOM 352 N GLU 55 -7.784 34.996 -9.985 1.00 0.00 ATOM 353 CA GLU 55 -8.875 34.061 -10.324 1.00 0.00 ATOM 354 CB GLU 55 -9.759 34.646 -11.426 1.00 0.00 ATOM 355 CG GLU 55 -10.614 35.821 -10.978 1.00 0.00 ATOM 356 CD GLU 55 -11.383 36.451 -12.123 1.00 0.00 ATOM 357 OE1 GLU 55 -11.191 36.018 -13.278 1.00 0.00 ATOM 358 OE2 GLU 55 -12.178 37.379 -11.864 1.00 0.00 ATOM 359 O GLU 55 -8.813 31.676 -10.447 1.00 0.00 ATOM 360 C GLU 55 -8.317 32.725 -10.819 1.00 0.00 ATOM 361 N LYS 56 -7.299 32.802 -11.663 1.00 0.00 ATOM 362 CA LYS 56 -6.703 31.617 -12.238 1.00 0.00 ATOM 363 CB LYS 56 -5.762 31.994 -13.385 1.00 0.00 ATOM 364 CG LYS 56 -6.473 32.511 -14.626 1.00 0.00 ATOM 365 CD LYS 56 -5.481 32.860 -15.724 1.00 0.00 ATOM 366 CE LYS 56 -6.190 33.409 -16.952 1.00 0.00 ATOM 367 NZ LYS 56 -5.229 33.778 -18.028 1.00 0.00 ATOM 368 O LYS 56 -5.919 29.619 -11.194 1.00 0.00 ATOM 369 C LYS 56 -5.898 30.858 -11.183 1.00 0.00 ATOM 370 N TRP 57 -5.181 31.530 -10.282 1.00 0.00 ATOM 371 CA TRP 57 -4.362 30.809 -9.310 1.00 0.00 ATOM 372 CB TRP 57 -3.491 31.783 -8.516 1.00 0.00 ATOM 373 CG TRP 57 -2.539 31.108 -7.576 1.00 0.00 ATOM 374 CD1 TRP 57 -2.573 31.137 -6.213 1.00 0.00 ATOM 375 CD2 TRP 57 -1.409 30.302 -7.933 1.00 0.00 ATOM 376 CE2 TRP 57 -0.805 29.875 -6.733 1.00 0.00 ATOM 377 CE3 TRP 57 -0.849 29.898 -9.149 1.00 0.00 ATOM 378 NE1 TRP 57 -1.536 30.400 -5.696 1.00 0.00 ATOM 379 CZ2 TRP 57 0.330 29.067 -6.714 1.00 0.00 ATOM 380 CZ3 TRP 57 0.277 29.096 -9.124 1.00 0.00 ATOM 381 CH2 TRP 57 0.856 28.687 -7.919 1.00 0.00 ATOM 382 O TRP 57 -4.793 28.955 -7.914 1.00 0.00 ATOM 383 C TRP 57 -5.236 30.040 -8.325 1.00 0.00 ATOM 384 N LEU 58 -6.401 30.599 -7.983 1.00 0.00 ATOM 385 CA LEU 58 -7.221 30.060 -6.894 1.00 0.00 ATOM 386 CB LEU 58 -7.567 31.163 -5.890 1.00 0.00 ATOM 387 CG LEU 58 -6.387 31.831 -5.184 1.00 0.00 ATOM 388 CD1 LEU 58 -6.864 32.979 -4.307 1.00 0.00 ATOM 389 CD2 LEU 58 -5.652 30.834 -4.301 1.00 0.00 ATOM 390 O LEU 58 -9.358 29.044 -6.571 1.00 0.00 ATOM 391 C LEU 58 -8.523 29.472 -7.371 1.00 0.00 ATOM 392 N GLY 59 -8.731 29.388 -8.671 1.00 0.00 ATOM 393 CA GLY 59 -9.903 28.858 -9.331 1.00 0.00 ATOM 394 O GLY 59 -12.098 28.742 -8.316 1.00 0.00 ATOM 395 C GLY 59 -11.171 29.444 -8.732 1.00 0.00 ATOM 396 N LYS 60 -11.195 30.774 -8.678 1.00 0.00 ATOM 397 CA LYS 60 -12.363 31.424 -8.123 1.00 0.00 ATOM 398 CB LYS 60 -12.098 31.865 -6.684 1.00 0.00 ATOM 399 CG LYS 60 -11.914 30.716 -5.706 1.00 0.00 ATOM 400 CD LYS 60 -11.710 31.223 -4.288 1.00 0.00 ATOM 401 CE LYS 60 -11.509 30.074 -3.313 1.00 0.00 ATOM 402 NZ LYS 60 -11.268 30.559 -1.927 1.00 0.00 ATOM 403 O LYS 60 -11.860 33.269 -9.572 1.00 0.00 ATOM 404 C LYS 60 -12.726 32.653 -8.948 1.00 0.00 ATOM 405 N GLU 61 -13.980 33.011 -8.964 1.00 0.00 ATOM 406 CA GLU 61 -14.393 34.248 -9.655 1.00 0.00 ATOM 407 CB GLU 61 -15.807 34.100 -10.221 1.00 0.00 ATOM 408 CG GLU 61 -15.949 33.000 -11.259 1.00 0.00 ATOM 409 CD GLU 61 -17.353 32.907 -11.823 1.00 0.00 ATOM 410 OE1 GLU 61 -18.228 33.674 -11.367 1.00 0.00 ATOM 411 OE2 GLU 61 -17.578 32.069 -12.722 1.00 0.00 ATOM 412 O GLU 61 -14.674 35.185 -7.474 1.00 0.00 ATOM 413 C GLU 61 -14.365 35.388 -8.661 1.00 0.00 ATOM 414 N LEU 62 -14.023 36.574 -9.120 1.00 0.00 ATOM 415 CA LEU 62 -14.129 37.779 -8.316 1.00 0.00 ATOM 416 CB LEU 62 -12.755 38.431 -8.145 1.00 0.00 ATOM 417 CG LEU 62 -11.681 37.580 -7.468 1.00 0.00 ATOM 418 CD1 LEU 62 -10.338 38.294 -7.487 1.00 0.00 ATOM 419 CD2 LEU 62 -12.050 37.304 -6.018 1.00 0.00 ATOM 420 O LEU 62 -14.682 39.211 -10.132 1.00 0.00 ATOM 421 C LEU 62 -15.075 38.702 -9.073 1.00 0.00 ATOM 422 N ASN 63 -16.290 38.949 -8.593 1.00 0.00 ATOM 423 CA ASN 63 -17.197 39.889 -9.229 1.00 0.00 ATOM 424 CB ASN 63 -18.473 40.047 -8.400 1.00 0.00 ATOM 425 CG ASN 63 -19.346 38.808 -8.434 1.00 0.00 ATOM 426 ND2 ASN 63 -20.192 38.655 -7.421 1.00 0.00 ATOM 427 OD1 ASN 63 -19.258 37.999 -9.357 1.00 0.00 ATOM 428 O ASN 63 -15.909 41.707 -8.442 1.00 0.00 ATOM 429 C ASN 63 -16.557 41.251 -9.372 1.00 0.00 ATOM 430 N PRO 64 -16.778 41.931 -10.507 1.00 0.00 ATOM 431 CA PRO 64 -16.099 43.237 -10.658 1.00 0.00 ATOM 432 CB PRO 64 -16.529 43.718 -12.045 1.00 0.00 ATOM 433 CG PRO 64 -16.832 42.467 -12.798 1.00 0.00 ATOM 434 CD PRO 64 -17.457 41.524 -11.808 1.00 0.00 ATOM 435 O PRO 64 -15.646 45.059 -9.198 1.00 0.00 ATOM 436 C PRO 64 -16.513 44.246 -9.582 1.00 0.00 ATOM 437 N VAL 65 -17.728 44.225 -9.043 1.00 0.00 ATOM 438 CA VAL 65 -18.143 45.234 -8.061 1.00 0.00 ATOM 439 CB VAL 65 -19.638 45.104 -7.715 1.00 0.00 ATOM 440 CG1 VAL 65 -20.002 46.034 -6.567 1.00 0.00 ATOM 441 CG2 VAL 65 -20.496 45.464 -8.916 1.00 0.00 ATOM 442 O VAL 65 -17.042 46.010 -6.058 1.00 0.00 ATOM 443 C VAL 65 -17.311 45.030 -6.787 1.00 0.00 ATOM 444 N LEU 66 -16.928 43.771 -6.531 1.00 0.00 ATOM 445 CA LEU 66 -15.997 43.546 -5.420 1.00 0.00 ATOM 446 CB LEU 66 -16.058 42.090 -4.957 1.00 0.00 ATOM 447 CG LEU 66 -17.375 41.633 -4.327 1.00 0.00 ATOM 448 CD1 LEU 66 -17.343 40.140 -4.033 1.00 0.00 ATOM 449 CD2 LEU 66 -17.632 42.369 -3.021 1.00 0.00 ATOM 450 O LEU 66 -13.818 44.333 -4.878 1.00 0.00 ATOM 451 C LEU 66 -14.554 43.824 -5.739 1.00 0.00 ATOM 452 N ILE 67 -14.130 43.536 -6.970 1.00 0.00 ATOM 453 CA ILE 67 -12.780 43.976 -7.309 1.00 0.00 ATOM 454 CB ILE 67 -12.425 43.632 -8.767 1.00 0.00 ATOM 455 CG1 ILE 67 -12.401 42.116 -8.967 1.00 0.00 ATOM 456 CG2 ILE 67 -11.055 44.186 -9.127 1.00 0.00 ATOM 457 CD1 ILE 67 -11.371 41.403 -8.118 1.00 0.00 ATOM 458 O ILE 67 -11.543 45.916 -6.740 1.00 0.00 ATOM 459 C ILE 67 -12.615 45.479 -7.150 1.00 0.00 ATOM 460 N PHE 68 -13.586 46.305 -7.438 1.00 0.00 ATOM 461 CA PHE 68 -13.502 47.759 -7.392 1.00 0.00 ATOM 462 CB PHE 68 -14.844 48.385 -7.779 1.00 0.00 ATOM 463 CG PHE 68 -14.807 49.883 -7.883 1.00 0.00 ATOM 464 CD1 PHE 68 -14.193 50.501 -8.957 1.00 0.00 ATOM 465 CD2 PHE 68 -15.387 50.672 -6.905 1.00 0.00 ATOM 466 CE1 PHE 68 -14.159 51.879 -9.053 1.00 0.00 ATOM 467 CE2 PHE 68 -15.353 52.050 -6.999 1.00 0.00 ATOM 468 CZ PHE 68 -14.742 52.655 -8.068 1.00 0.00 ATOM 469 O PHE 68 -12.476 49.310 -5.869 1.00 0.00 ATOM 470 C PHE 68 -13.142 48.243 -5.998 1.00 0.00 ATOM 471 N ASN 69 -13.563 47.480 -4.995 1.00 0.00 ATOM 472 CA ASN 69 -13.297 47.800 -3.602 1.00 0.00 ATOM 473 CB ASN 69 -14.502 47.440 -2.730 1.00 0.00 ATOM 474 CG ASN 69 -14.384 47.985 -1.319 1.00 0.00 ATOM 475 ND2 ASN 69 -15.131 47.393 -0.395 1.00 0.00 ATOM 476 OD1 ASN 69 -13.630 48.924 -1.067 1.00 0.00 ATOM 477 O ASN 69 -11.748 47.198 -1.848 1.00 0.00 ATOM 478 C ASN 69 -12.108 47.066 -3.021 1.00 0.00 ATOM 482 N THR 72 -6.415 46.904 -1.484 1.00 0.00 ATOM 483 CA THR 72 -5.206 46.626 -0.724 1.00 0.00 ATOM 484 CB THR 72 -5.369 47.013 0.758 1.00 0.00 ATOM 485 CG2 THR 72 -5.660 48.500 0.891 1.00 0.00 ATOM 486 OG1 THR 72 -6.457 46.276 1.330 1.00 0.00 ATOM 487 O THR 72 -5.741 44.297 -1.061 1.00 0.00 ATOM 488 C THR 72 -4.888 45.146 -0.799 1.00 0.00 ATOM 489 N ILE 73 -3.619 44.856 -0.504 1.00 0.00 ATOM 490 CA ILE 73 -3.160 43.484 -0.441 1.00 0.00 ATOM 491 CB ILE 73 -1.702 43.398 0.047 1.00 0.00 ATOM 492 CG1 ILE 73 -0.762 44.063 -0.961 1.00 0.00 ATOM 493 CG2 ILE 73 -1.279 41.947 0.213 1.00 0.00 ATOM 494 CD1 ILE 73 -0.732 43.379 -2.310 1.00 0.00 ATOM 495 O ILE 73 -4.485 41.565 0.182 1.00 0.00 ATOM 496 C ILE 73 -4.025 42.674 0.524 1.00 0.00 ATOM 497 N ALA 74 -4.294 43.212 1.741 1.00 0.00 ATOM 498 CA ALA 74 -5.107 42.457 2.680 1.00 0.00 ATOM 499 CB ALA 74 -5.254 43.221 3.988 1.00 0.00 ATOM 500 O ALA 74 -7.023 41.082 2.432 1.00 0.00 ATOM 501 C ALA 74 -6.508 42.173 2.177 1.00 0.00 ATOM 502 N GLN 75 -7.124 43.093 1.441 1.00 0.00 ATOM 503 CA GLN 75 -8.406 42.866 0.856 1.00 0.00 ATOM 504 CB GLN 75 -8.847 44.084 0.041 1.00 0.00 ATOM 505 CG GLN 75 -9.206 45.296 0.885 1.00 0.00 ATOM 506 CD GLN 75 -9.529 46.515 0.044 1.00 0.00 ATOM 507 OE1 GLN 75 -9.400 46.489 -1.180 1.00 0.00 ATOM 508 NE2 GLN 75 -9.951 47.590 0.700 1.00 0.00 ATOM 509 O GLN 75 -9.306 40.853 -0.080 1.00 0.00 ATOM 510 C GLN 75 -8.354 41.646 -0.078 1.00 0.00 ATOM 511 N LEU 76 -7.303 41.521 -0.878 1.00 0.00 ATOM 512 CA LEU 76 -7.203 40.372 -1.783 1.00 0.00 ATOM 513 CB LEU 76 -6.042 40.561 -2.760 1.00 0.00 ATOM 514 CG LEU 76 -6.212 41.659 -3.812 1.00 0.00 ATOM 515 CD1 LEU 76 -4.923 41.858 -4.596 1.00 0.00 ATOM 516 CD2 LEU 76 -7.315 41.298 -4.793 1.00 0.00 ATOM 517 O LEU 76 -7.630 38.087 -1.332 1.00 0.00 ATOM 518 C LEU 76 -6.966 39.085 -1.025 1.00 0.00 ATOM 519 N ALA 77 -6.109 39.131 -0.027 1.00 0.00 ATOM 520 CA ALA 77 -5.902 37.936 0.823 1.00 0.00 ATOM 521 CB ALA 77 -4.904 38.240 1.931 1.00 0.00 ATOM 522 O ALA 77 -7.561 36.300 1.447 1.00 0.00 ATOM 523 C ALA 77 -7.197 37.492 1.465 1.00 0.00 ATOM 524 N LYS 78 -7.927 38.463 2.036 1.00 0.00 ATOM 525 CA LYS 78 -9.167 38.102 2.728 1.00 0.00 ATOM 526 CB LYS 78 -9.771 39.325 3.419 1.00 0.00 ATOM 527 CG LYS 78 -8.979 39.813 4.622 1.00 0.00 ATOM 528 CD LYS 78 -9.637 41.024 5.263 1.00 0.00 ATOM 529 CE LYS 78 -8.828 41.531 6.444 1.00 0.00 ATOM 530 NZ LYS 78 -9.448 42.734 7.067 1.00 0.00 ATOM 531 O LYS 78 -10.924 36.593 2.121 1.00 0.00 ATOM 532 C LYS 78 -10.206 37.551 1.763 1.00 0.00 ATOM 533 N ARG 79 -10.298 38.094 0.559 1.00 0.00 ATOM 534 CA ARG 79 -11.249 37.562 -0.403 1.00 0.00 ATOM 535 CB ARG 79 -11.202 38.367 -1.703 1.00 0.00 ATOM 536 CG ARG 79 -11.760 39.775 -1.582 1.00 0.00 ATOM 537 CD ARG 79 -11.677 40.519 -2.906 1.00 0.00 ATOM 538 NE ARG 79 -12.104 41.910 -2.779 1.00 0.00 ATOM 539 CZ ARG 79 -13.373 42.302 -2.749 1.00 0.00 ATOM 540 NH1 ARG 79 -13.667 43.589 -2.633 1.00 0.00 ATOM 541 NH2 ARG 79 -14.346 41.406 -2.837 1.00 0.00 ATOM 542 O ARG 79 -11.737 35.245 -0.681 1.00 0.00 ATOM 543 C ARG 79 -10.842 36.105 -0.661 1.00 0.00 ATOM 544 N LEU 80 -9.598 35.843 -1.031 1.00 0.00 ATOM 545 CA LEU 80 -9.215 34.498 -1.452 1.00 0.00 ATOM 546 CB LEU 80 -7.746 34.468 -1.880 1.00 0.00 ATOM 547 CG LEU 80 -7.401 35.206 -3.175 1.00 0.00 ATOM 548 CD1 LEU 80 -5.896 35.252 -3.384 1.00 0.00 ATOM 549 CD2 LEU 80 -8.026 34.507 -4.373 1.00 0.00 ATOM 550 O LEU 80 -9.953 32.415 -0.454 1.00 0.00 ATOM 551 C LEU 80 -9.415 33.531 -0.292 1.00 0.00 ATOM 552 N GLY 81 -8.976 33.935 0.924 1.00 0.00 ATOM 553 CA GLY 81 -9.172 33.039 2.076 1.00 0.00 ATOM 554 O GLY 81 -10.989 31.636 2.745 1.00 0.00 ATOM 555 C GLY 81 -10.636 32.727 2.314 1.00 0.00 ATOM 556 N GLU 82 -11.485 33.694 2.028 1.00 0.00 ATOM 557 CA GLU 82 -12.900 33.607 2.312 1.00 0.00 ATOM 558 CB GLU 82 -13.507 35.006 2.442 1.00 0.00 ATOM 559 CG GLU 82 -12.939 35.824 3.591 1.00 0.00 ATOM 560 CD GLU 82 -13.421 37.262 3.577 1.00 0.00 ATOM 561 OE1 GLU 82 -14.153 37.634 2.635 1.00 0.00 ATOM 562 OE2 GLU 82 -13.069 38.016 4.507 1.00 0.00 ATOM 563 O GLU 82 -14.876 32.602 1.446 1.00 0.00 ATOM 564 C GLU 82 -13.699 32.896 1.260 1.00 0.00 TER END