PFRMAT TS TARGET T0277 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 METHOD This model is the resutl of sidechain replacement on the backbone of METHOD 1o3uA, which was 3rd best with sam-t02 and 2nd best with sam-t04. METHOD Sidechain optimization was done with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0277-1o3uA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD REMARK 6 REMARK 6 T0277 model 5 Sat Aug 14 13:44:33 2004 MODEL 5 PARENT 1o3u_A ATOM 2 N SER 3 -7.572 -6.379 6.772 1.00 0.00 ATOM 3 CA SER 3 -6.624 -7.015 5.869 1.00 0.00 ATOM 4 CB SER 3 -7.283 -7.312 4.521 1.00 0.00 ATOM 5 OG SER 3 -8.307 -8.283 4.657 1.00 0.00 ATOM 6 O SER 3 -4.314 -6.624 5.524 1.00 0.00 ATOM 7 C SER 3 -5.415 -6.122 5.616 1.00 0.00 ATOM 8 N LEU 4 -5.603 -4.804 5.513 1.00 0.00 ATOM 9 CA LEU 4 -4.461 -3.877 5.382 1.00 0.00 ATOM 10 CB LEU 4 -4.952 -2.429 5.320 1.00 0.00 ATOM 11 CG LEU 4 -3.871 -1.352 5.201 1.00 0.00 ATOM 12 CD1 LEU 4 -3.078 -1.527 3.914 1.00 0.00 ATOM 13 CD2 LEU 4 -4.493 0.036 5.192 1.00 0.00 ATOM 14 O LEU 4 -2.298 -4.050 6.407 1.00 0.00 ATOM 15 C LEU 4 -3.517 -4.016 6.579 1.00 0.00 ATOM 16 N ALA 5 -4.079 -4.053 7.782 1.00 0.00 ATOM 17 CA ALA 5 -3.282 -4.125 9.008 1.00 0.00 ATOM 18 CB ALA 5 -4.178 -4.003 10.231 1.00 0.00 ATOM 19 O ALA 5 -1.386 -5.461 9.580 1.00 0.00 ATOM 20 C ALA 5 -2.530 -5.436 9.115 1.00 0.00 ATOM 21 N ARG 6 -3.140 -6.523 8.640 1.00 0.00 ATOM 22 CA ARG 6 -2.469 -7.818 8.573 1.00 0.00 ATOM 23 CB ARG 6 -3.450 -8.908 8.138 1.00 0.00 ATOM 24 CG ARG 6 -4.490 -9.263 9.187 1.00 0.00 ATOM 25 CD ARG 6 -5.458 -10.314 8.673 1.00 0.00 ATOM 26 NE ARG 6 -6.482 -10.647 9.662 1.00 0.00 ATOM 27 CZ ARG 6 -7.461 -11.521 9.457 1.00 0.00 ATOM 28 NH1 ARG 6 -8.347 -11.761 10.414 1.00 0.00 ATOM 29 NH2 ARG 6 -7.554 -12.155 8.295 1.00 0.00 ATOM 30 O ARG 6 -0.255 -8.325 7.896 1.00 0.00 ATOM 31 C ARG 6 -1.318 -7.800 7.578 1.00 0.00 ATOM 32 N ALA 7 -1.536 -7.250 6.371 1.00 0.00 ATOM 33 CA ALA 7 -0.439 -7.045 5.414 1.00 0.00 ATOM 34 CB ALA 7 -0.936 -6.291 4.191 1.00 0.00 ATOM 35 O ALA 7 1.906 -6.515 5.793 1.00 0.00 ATOM 36 C ALA 7 0.734 -6.225 6.024 1.00 0.00 ATOM 37 N VAL 8 0.401 -5.180 6.770 1.00 0.00 ATOM 38 CA VAL 8 1.421 -4.364 7.434 1.00 0.00 ATOM 39 CB VAL 8 0.789 -3.194 8.211 1.00 0.00 ATOM 40 CG1 VAL 8 1.841 -2.483 9.050 1.00 0.00 ATOM 41 CG2 VAL 8 0.177 -2.185 7.251 1.00 0.00 ATOM 42 O VAL 8 3.434 -5.171 8.462 1.00 0.00 ATOM 43 C VAL 8 2.215 -5.231 8.427 1.00 0.00 ATOM 44 N GLU 9 1.519 -6.046 9.216 1.00 0.00 ATOM 45 CA GLU 9 2.190 -6.914 10.171 1.00 0.00 ATOM 46 CB GLU 9 1.166 -7.695 10.998 1.00 0.00 ATOM 47 CG GLU 9 0.391 -6.844 11.990 1.00 0.00 ATOM 48 CD GLU 9 -0.696 -7.624 12.702 1.00 0.00 ATOM 49 OE1 GLU 9 -0.894 -8.811 12.366 1.00 0.00 ATOM 50 OE2 GLU 9 -1.352 -7.049 13.596 1.00 0.00 ATOM 51 O GLU 9 4.204 -8.162 9.874 1.00 0.00 ATOM 52 C GLU 9 3.079 -7.904 9.441 1.00 0.00 ATOM 53 N ARG 10 2.584 -8.427 8.323 1.00 0.00 ATOM 54 CA ARG 10 3.377 -9.296 7.444 1.00 0.00 ATOM 55 CB ARG 10 2.579 -9.666 6.192 1.00 0.00 ATOM 56 CG ARG 10 1.424 -10.619 6.452 1.00 0.00 ATOM 57 CD ARG 10 0.648 -10.905 5.176 1.00 0.00 ATOM 58 NE ARG 10 -0.495 -11.783 5.417 1.00 0.00 ATOM 59 CZ ARG 10 -1.370 -12.144 4.483 1.00 0.00 ATOM 60 NH1 ARG 10 -2.379 -12.946 4.795 1.00 0.00 ATOM 61 NH2 ARG 10 -1.232 -11.704 3.240 1.00 0.00 ATOM 62 O ARG 10 5.751 -9.153 7.085 1.00 0.00 ATOM 63 C ARG 10 4.657 -8.586 7.010 1.00 0.00 ATOM 64 N LEU 11 4.526 -7.349 6.526 1.00 0.00 ATOM 65 CA LEU 11 5.673 -6.567 6.096 1.00 0.00 ATOM 66 CB LEU 11 5.235 -5.166 5.666 1.00 0.00 ATOM 67 CG LEU 11 6.342 -4.233 5.169 1.00 0.00 ATOM 68 CD1 LEU 11 7.016 -4.808 3.934 1.00 0.00 ATOM 69 CD2 LEU 11 5.773 -2.869 4.808 1.00 0.00 ATOM 70 O LEU 11 7.928 -6.501 6.974 1.00 0.00 ATOM 71 C LEU 11 6.723 -6.405 7.219 1.00 0.00 ATOM 72 N LYS 12 6.239 -6.094 8.418 1.00 0.00 ATOM 73 CA LYS 12 7.085 -5.887 9.557 1.00 0.00 ATOM 74 CB LYS 12 6.262 -5.418 10.758 1.00 0.00 ATOM 75 CG LYS 12 7.088 -5.113 11.997 1.00 0.00 ATOM 76 CD LYS 12 6.223 -4.564 13.117 1.00 0.00 ATOM 77 CE LYS 12 7.045 -4.283 14.365 1.00 0.00 ATOM 78 NZ LYS 12 6.205 -3.765 15.480 1.00 0.00 ATOM 79 O LYS 12 8.982 -7.151 10.379 1.00 0.00 ATOM 80 C LYS 12 7.823 -7.194 9.969 1.00 0.00 ATOM 81 N ALA 13 7.149 -8.316 9.825 1.00 0.00 ATOM 82 CA ALA 13 7.741 -9.628 10.079 1.00 0.00 ATOM 83 CB ALA 13 6.683 -10.715 9.973 1.00 0.00 ATOM 84 O ALA 13 9.931 -10.359 9.453 1.00 0.00 ATOM 85 C ALA 13 8.831 -9.923 9.077 1.00 0.00 ATOM 86 N ALA 14 8.536 -9.690 7.797 1.00 0.00 ATOM 87 CA ALA 14 9.542 -9.871 6.741 1.00 0.00 ATOM 88 CB ALA 14 8.940 -9.567 5.378 1.00 0.00 ATOM 89 O ALA 14 11.893 -9.349 6.830 1.00 0.00 ATOM 90 C ALA 14 10.735 -8.929 6.968 1.00 0.00 ATOM 91 N LEU 15 10.465 -7.673 7.346 1.00 0.00 ATOM 92 CA LEU 15 11.529 -6.742 7.637 1.00 0.00 ATOM 93 CB LEU 15 10.956 -5.404 8.109 1.00 0.00 ATOM 94 CG LEU 15 11.975 -4.321 8.471 1.00 0.00 ATOM 95 CD1 LEU 15 12.818 -3.951 7.261 1.00 0.00 ATOM 96 CD2 LEU 15 11.271 -3.065 8.963 1.00 0.00 ATOM 97 O LEU 15 13.693 -7.177 8.600 1.00 0.00 ATOM 98 C LEU 15 12.465 -7.260 8.736 1.00 0.00 ATOM 99 N GLU 16 11.873 -7.787 9.808 1.00 0.00 ATOM 100 CA GLU 16 12.615 -8.217 11.010 1.00 0.00 ATOM 101 CB GLU 16 11.650 -8.734 12.079 1.00 0.00 ATOM 102 CG GLU 16 10.806 -7.651 12.730 1.00 0.00 ATOM 103 CD GLU 16 9.798 -8.210 13.714 1.00 0.00 ATOM 104 OE1 GLU 16 9.711 -9.450 13.835 1.00 0.00 ATOM 105 OE2 GLU 16 9.095 -7.408 14.364 1.00 0.00 ATOM 106 O GLU 16 14.691 -9.425 11.174 1.00 0.00 ATOM 107 C GLU 16 13.578 -9.330 10.627 1.00 0.00 ATOM 108 N ARG 17 13.181 -10.136 9.647 1.00 0.00 ATOM 109 CA ARG 17 13.955 -11.291 9.228 1.00 0.00 ATOM 110 CB ARG 17 13.029 -12.447 8.844 1.00 0.00 ATOM 111 CG ARG 17 12.181 -12.970 9.991 1.00 0.00 ATOM 112 CD ARG 17 11.324 -14.147 9.552 1.00 0.00 ATOM 113 NE ARG 17 10.493 -14.655 10.641 1.00 0.00 ATOM 114 CZ ARG 17 9.631 -15.660 10.518 1.00 0.00 ATOM 115 NH1 ARG 17 8.917 -16.052 11.563 1.00 0.00 ATOM 116 NH2 ARG 17 9.483 -16.265 9.348 1.00 0.00 ATOM 117 O ARG 17 15.512 -11.967 7.526 1.00 0.00 ATOM 118 C ARG 17 14.860 -11.036 8.014 1.00 0.00 ATOM 119 N PRO 18 14.935 -9.773 7.576 1.00 0.00 ATOM 120 CA PRO 18 15.854 -9.356 6.538 1.00 0.00 ATOM 121 CB PRO 18 17.106 -10.197 6.792 1.00 0.00 ATOM 122 CG PRO 18 16.584 -11.494 7.314 1.00 0.00 ATOM 123 CD PRO 18 15.387 -11.152 8.155 1.00 0.00 ATOM 124 O PRO 18 16.102 -9.531 4.185 1.00 0.00 ATOM 125 C PRO 18 15.332 -9.595 5.139 1.00 0.00 ATOM 126 N LYS 19 14.032 -9.885 5.014 1.00 0.00 ATOM 127 CA LYS 19 13.448 -10.165 3.712 1.00 0.00 ATOM 128 CB LYS 19 12.298 -11.165 3.844 1.00 0.00 ATOM 129 CG LYS 19 12.717 -12.528 4.366 1.00 0.00 ATOM 130 CD LYS 19 11.524 -13.462 4.496 1.00 0.00 ATOM 131 CE LYS 19 11.955 -14.854 4.928 1.00 0.00 ATOM 132 NZ LYS 19 10.793 -15.771 5.088 1.00 0.00 ATOM 133 O LYS 19 11.717 -8.598 3.130 1.00 0.00 ATOM 134 C LYS 19 12.931 -8.855 3.148 1.00 0.00 ATOM 138 N ILE 23 13.863 -8.010 2.701 1.00 0.00 ATOM 139 CA ILE 23 13.533 -6.602 2.378 1.00 0.00 ATOM 140 CB ILE 23 14.796 -5.787 2.047 1.00 0.00 ATOM 141 CG1 ILE 23 15.723 -5.723 3.262 1.00 0.00 ATOM 142 CG2 ILE 23 14.425 -4.367 1.649 1.00 0.00 ATOM 143 CD1 ILE 23 15.099 -5.068 4.474 1.00 0.00 ATOM 144 O ILE 23 11.656 -5.672 1.204 1.00 0.00 ATOM 145 C ILE 23 12.597 -6.462 1.173 1.00 0.00 ATOM 146 N ARG 24 12.826 -7.300 0.168 1.00 0.00 ATOM 147 CA ARG 24 11.990 -7.410 -1.001 1.00 0.00 ATOM 148 CB ARG 24 12.499 -8.522 -1.921 1.00 0.00 ATOM 149 CG ARG 24 13.808 -8.195 -2.622 1.00 0.00 ATOM 150 CD ARG 24 14.278 -9.358 -3.481 1.00 0.00 ATOM 151 NE ARG 24 15.559 -9.079 -4.126 1.00 0.00 ATOM 152 CZ ARG 24 16.218 -9.948 -4.885 1.00 0.00 ATOM 153 NH1 ARG 24 17.378 -9.607 -5.430 1.00 0.00 ATOM 154 NH2 ARG 24 15.717 -11.157 -5.097 1.00 0.00 ATOM 155 O ARG 24 9.626 -7.094 -1.164 1.00 0.00 ATOM 156 C ARG 24 10.552 -7.733 -0.659 1.00 0.00 ATOM 157 N ASP 25 10.364 -8.697 0.217 1.00 0.00 ATOM 158 CA ASP 25 9.016 -9.104 0.577 1.00 0.00 ATOM 159 CB ASP 25 9.045 -10.418 1.360 1.00 0.00 ATOM 160 CG ASP 25 9.361 -11.613 0.482 1.00 0.00 ATOM 161 OD1 ASP 25 9.316 -11.466 -0.757 1.00 0.00 ATOM 162 OD2 ASP 25 9.653 -12.694 1.034 1.00 0.00 ATOM 163 O ASP 25 7.138 -7.810 1.317 1.00 0.00 ATOM 164 C ASP 25 8.344 -8.044 1.448 1.00 0.00 ATOM 165 N SER 26 9.123 -7.360 2.286 1.00 0.00 ATOM 166 CA SER 26 8.587 -6.292 3.113 1.00 0.00 ATOM 167 CB SER 26 9.684 -5.697 3.997 1.00 0.00 ATOM 168 OG SER 26 10.144 -6.644 4.945 1.00 0.00 ATOM 169 O SER 26 6.961 -4.647 2.502 1.00 0.00 ATOM 170 C SER 26 8.014 -5.181 2.220 1.00 0.00 ATOM 171 N ALA 27 8.734 -4.850 1.167 1.00 0.00 ATOM 172 CA ALA 27 8.290 -3.902 0.159 1.00 0.00 ATOM 173 CB ALA 27 9.322 -3.788 -0.952 1.00 0.00 ATOM 174 O ALA 27 6.011 -3.605 -0.496 1.00 0.00 ATOM 175 C ALA 27 6.971 -4.347 -0.456 1.00 0.00 ATOM 176 N ILE 28 6.913 -5.604 -0.875 1.00 0.00 ATOM 177 CA ILE 28 5.700 -6.159 -1.490 1.00 0.00 ATOM 178 CB ILE 28 5.874 -7.649 -1.837 1.00 0.00 ATOM 179 CG1 ILE 28 6.903 -7.818 -2.959 1.00 0.00 ATOM 180 CG2 ILE 28 4.555 -8.246 -2.301 1.00 0.00 ATOM 181 CD1 ILE 28 7.336 -9.251 -3.179 1.00 0.00 ATOM 182 O ILE 28 3.400 -5.584 -0.977 1.00 0.00 ATOM 183 C ILE 28 4.461 -6.062 -0.572 1.00 0.00 ATOM 184 N GLN 29 4.608 -6.521 0.666 1.00 0.00 ATOM 185 CA GLN 29 3.535 -6.502 1.655 1.00 0.00 ATOM 186 CB GLN 29 4.007 -7.124 2.971 1.00 0.00 ATOM 187 CG GLN 29 4.280 -8.616 2.888 1.00 0.00 ATOM 188 CD GLN 29 3.043 -9.416 2.529 1.00 0.00 ATOM 189 OE1 GLN 29 1.964 -9.187 3.075 1.00 0.00 ATOM 190 NE2 GLN 29 3.198 -10.359 1.607 1.00 0.00 ATOM 191 O GLN 29 1.897 -4.814 2.191 1.00 0.00 ATOM 192 C GLN 29 3.072 -5.061 1.947 1.00 0.00 ATOM 196 N THR 34 4.020 -4.129 1.987 1.00 0.00 ATOM 197 CA THR 34 3.728 -2.710 2.243 1.00 0.00 ATOM 198 CB THR 34 5.016 -1.867 2.292 1.00 0.00 ATOM 199 CG2 THR 34 4.684 -0.400 2.518 1.00 0.00 ATOM 200 OG1 THR 34 5.850 -2.325 3.363 1.00 0.00 ATOM 201 O THR 34 1.859 -1.362 1.415 1.00 0.00 ATOM 202 C THR 34 2.820 -2.115 1.129 1.00 0.00 ATOM 203 N PHE 35 3.138 -2.448 -0.120 1.00 0.00 ATOM 204 CA PHE 35 2.316 -2.031 -1.260 1.00 0.00 ATOM 205 CB PHE 35 2.876 -2.605 -2.562 1.00 0.00 ATOM 206 CG PHE 35 2.063 -2.257 -3.776 1.00 0.00 ATOM 207 CD1 PHE 35 2.180 -1.012 -4.371 1.00 0.00 ATOM 208 CD2 PHE 35 1.182 -3.172 -4.324 1.00 0.00 ATOM 209 CE1 PHE 35 1.433 -0.691 -5.490 1.00 0.00 ATOM 210 CE2 PHE 35 0.435 -2.852 -5.442 1.00 0.00 ATOM 211 CZ PHE 35 0.558 -1.617 -6.024 1.00 0.00 ATOM 212 O PHE 35 -0.062 -1.763 -1.202 1.00 0.00 ATOM 213 C PHE 35 0.878 -2.533 -1.081 1.00 0.00 ATOM 214 N GLU 36 0.729 -3.828 -0.781 1.00 0.00 ATOM 215 CA GLU 36 -0.585 -4.436 -0.558 1.00 0.00 ATOM 216 CB GLU 36 -0.439 -5.925 -0.238 1.00 0.00 ATOM 217 CG GLU 36 -0.005 -6.775 -1.421 1.00 0.00 ATOM 218 CD GLU 36 0.249 -8.220 -1.038 1.00 0.00 ATOM 219 OE1 GLU 36 0.157 -8.541 0.166 1.00 0.00 ATOM 220 OE2 GLU 36 0.538 -9.032 -1.942 1.00 0.00 ATOM 221 O GLU 36 -2.575 -3.523 0.486 1.00 0.00 ATOM 222 C GLU 36 -1.367 -3.803 0.608 1.00 0.00 ATOM 223 N LEU 37 -0.671 -3.535 1.709 1.00 0.00 ATOM 224 CA LEU 37 -1.282 -2.925 2.894 1.00 0.00 ATOM 225 CB LEU 37 -0.244 -2.762 4.006 1.00 0.00 ATOM 226 CG LEU 37 -0.746 -2.150 5.316 1.00 0.00 ATOM 227 CD1 LEU 37 -1.827 -3.022 5.937 1.00 0.00 ATOM 228 CD2 LEU 37 0.391 -2.017 6.317 1.00 0.00 ATOM 229 O LEU 37 -2.956 -1.218 2.902 1.00 0.00 ATOM 230 C LEU 37 -1.837 -1.551 2.525 1.00 0.00 ATOM 231 N ALA 38 -1.054 -0.763 1.782 1.00 0.00 ATOM 232 CA ALA 38 -1.474 0.615 1.437 1.00 0.00 ATOM 233 CB ALA 38 -0.338 1.357 0.749 1.00 0.00 ATOM 234 O ALA 38 -3.661 1.302 0.635 1.00 0.00 ATOM 235 C ALA 38 -2.689 0.566 0.483 1.00 0.00 ATOM 236 N TRP 39 -2.616 -0.301 -0.505 1.00 0.00 ATOM 237 CA TRP 39 -3.750 -0.547 -1.410 1.00 0.00 ATOM 238 CB TRP 39 -3.446 -1.723 -2.341 1.00 0.00 ATOM 239 CG TRP 39 -4.546 -2.018 -3.314 1.00 0.00 ATOM 240 CD1 TRP 39 -4.742 -1.431 -4.532 1.00 0.00 ATOM 241 CD2 TRP 39 -5.604 -2.971 -3.152 1.00 0.00 ATOM 242 CE2 TRP 39 -6.402 -2.908 -4.312 1.00 0.00 ATOM 243 CE3 TRP 39 -5.954 -3.870 -2.141 1.00 0.00 ATOM 244 NE1 TRP 39 -5.856 -1.959 -5.139 1.00 0.00 ATOM 245 CZ2 TRP 39 -7.528 -3.710 -4.488 1.00 0.00 ATOM 246 CZ3 TRP 39 -7.070 -4.664 -2.319 1.00 0.00 ATOM 247 CH2 TRP 39 -7.847 -4.582 -3.480 1.00 0.00 ATOM 248 O TRP 39 -6.129 -0.303 -0.955 1.00 0.00 ATOM 249 C TRP 39 -5.053 -0.884 -0.690 1.00 0.00 ATOM 250 N LYS 40 -4.978 -1.839 0.223 1.00 0.00 ATOM 251 CA LYS 40 -6.146 -2.286 0.942 1.00 0.00 ATOM 252 CB LYS 40 -5.798 -3.473 1.843 1.00 0.00 ATOM 253 CG LYS 40 -5.498 -4.758 1.089 1.00 0.00 ATOM 254 CD LYS 40 -5.164 -5.893 2.043 1.00 0.00 ATOM 255 CE LYS 40 -4.840 -7.172 1.288 1.00 0.00 ATOM 256 NZ LYS 40 -4.478 -8.284 2.208 1.00 0.00 ATOM 257 O LYS 40 -7.922 -1.015 1.938 1.00 0.00 ATOM 258 C LYS 40 -6.710 -1.153 1.829 1.00 0.00 ATOM 259 N THR 41 -5.835 -0.344 2.431 1.00 0.00 ATOM 260 CA THR 41 -6.248 0.725 3.346 1.00 0.00 ATOM 261 CB THR 41 -5.031 1.442 3.960 1.00 0.00 ATOM 262 CG2 THR 41 -5.484 2.573 4.871 1.00 0.00 ATOM 263 OG1 THR 41 -4.259 0.510 4.727 1.00 0.00 ATOM 264 O THR 41 -8.172 2.140 2.945 1.00 0.00 ATOM 265 C THR 41 -7.085 1.739 2.537 1.00 0.00 ATOM 266 N LEU 42 -6.612 2.107 1.370 1.00 0.00 ATOM 267 CA LEU 42 -7.356 3.099 0.567 1.00 0.00 ATOM 268 CB LEU 42 -6.538 3.521 -0.655 1.00 0.00 ATOM 269 CG LEU 42 -7.176 4.572 -1.566 1.00 0.00 ATOM 270 CD1 LEU 42 -7.431 5.863 -0.804 1.00 0.00 ATOM 271 CD2 LEU 42 -6.267 4.886 -2.743 1.00 0.00 ATOM 272 O LEU 42 -9.722 3.237 0.054 1.00 0.00 ATOM 273 C LEU 42 -8.694 2.538 0.064 1.00 0.00 ATOM 274 N LYS 43 -8.704 1.277 -0.342 1.00 0.00 ATOM 275 CA LYS 43 -9.947 0.609 -0.732 1.00 0.00 ATOM 276 CB LYS 43 -9.676 -0.848 -1.112 1.00 0.00 ATOM 277 CG LYS 43 -10.908 -1.608 -1.575 1.00 0.00 ATOM 278 CD LYS 43 -10.553 -3.018 -2.016 1.00 0.00 ATOM 279 CE LYS 43 -11.783 -3.772 -2.498 1.00 0.00 ATOM 280 NZ LYS 43 -11.449 -5.155 -2.936 1.00 0.00 ATOM 281 O LYS 43 -12.217 0.641 0.108 1.00 0.00 ATOM 282 C LYS 43 -11.006 0.592 0.387 1.00 0.00 ATOM 283 N THR 44 -10.551 0.509 1.639 1.00 0.00 ATOM 284 CA THR 44 -11.466 0.563 2.783 1.00 0.00 ATOM 285 CB THR 44 -10.706 0.454 4.118 1.00 0.00 ATOM 286 CG2 THR 44 -11.671 0.551 5.290 1.00 0.00 ATOM 287 OG1 THR 44 -10.023 -0.804 4.182 1.00 0.00 ATOM 288 O THR 44 -13.423 1.904 3.126 1.00 0.00 ATOM 289 C THR 44 -12.246 1.890 2.788 1.00 0.00 ATOM 290 N PHE 45 -11.612 2.979 2.335 1.00 0.00 ATOM 291 CA PHE 45 -12.300 4.281 2.248 1.00 0.00 ATOM 292 CB PHE 45 -11.301 5.394 1.927 1.00 0.00 ATOM 293 CG PHE 45 -11.929 6.753 1.794 1.00 0.00 ATOM 294 CD1 PHE 45 -12.279 7.482 2.919 1.00 0.00 ATOM 295 CD2 PHE 45 -12.171 7.302 0.548 1.00 0.00 ATOM 296 CE1 PHE 45 -12.856 8.731 2.798 1.00 0.00 ATOM 297 CE2 PHE 45 -12.749 8.551 0.427 1.00 0.00 ATOM 298 CZ PHE 45 -13.091 9.266 1.546 1.00 0.00 ATOM 299 O PHE 45 -14.499 4.772 1.350 1.00 0.00 ATOM 300 C PHE 45 -13.372 4.275 1.150 1.00 0.00 ATOM 301 N LEU 46 -12.998 3.791 -0.030 1.00 0.00 ATOM 302 CA LEU 46 -13.976 3.568 -1.090 1.00 0.00 ATOM 303 CB LEU 46 -13.327 2.856 -2.278 1.00 0.00 ATOM 304 CG LEU 46 -12.326 3.676 -3.096 1.00 0.00 ATOM 305 CD1 LEU 46 -11.637 2.804 -4.132 1.00 0.00 ATOM 306 CD2 LEU 46 -13.030 4.812 -3.821 1.00 0.00 ATOM 307 O LEU 46 -16.276 3.078 -0.905 1.00 0.00 ATOM 308 C LEU 46 -15.146 2.708 -0.627 1.00 0.00 ATOM 309 N GLU 47 -14.900 1.609 0.091 1.00 0.00 ATOM 310 CA GLU 47 -15.974 0.701 0.506 1.00 0.00 ATOM 311 CB GLU 47 -15.396 -0.514 1.238 1.00 0.00 ATOM 312 CG GLU 47 -14.640 -1.477 0.337 1.00 0.00 ATOM 313 CD GLU 47 -13.978 -2.600 1.111 1.00 0.00 ATOM 314 OE1 GLU 47 -14.050 -2.584 2.357 1.00 0.00 ATOM 315 OE2 GLU 47 -13.387 -3.495 0.471 1.00 0.00 ATOM 316 O GLU 47 -18.134 1.308 1.309 1.00 0.00 ATOM 317 C GLU 47 -16.945 1.425 1.452 1.00 0.00 ATOM 318 N LEU 48 -16.411 2.166 2.410 1.00 0.00 ATOM 319 CA LEU 48 -17.249 2.947 3.336 1.00 0.00 ATOM 320 CB LEU 48 -16.380 3.674 4.363 1.00 0.00 ATOM 321 CG LEU 48 -17.120 4.514 5.404 1.00 0.00 ATOM 322 CD1 LEU 48 -18.040 3.641 6.244 1.00 0.00 ATOM 323 CD2 LEU 48 -16.137 5.204 6.337 1.00 0.00 ATOM 324 O LEU 48 -19.241 4.229 2.930 1.00 0.00 ATOM 325 C LEU 48 -18.082 4.002 2.594 1.00 0.00 ATOM 326 N GLN 49 -17.499 4.629 1.580 1.00 0.00 ATOM 327 CA GLN 49 -18.203 5.623 0.798 1.00 0.00 ATOM 328 CB GLN 49 -17.216 6.467 -0.011 1.00 0.00 ATOM 329 CG GLN 49 -16.245 7.271 0.840 1.00 0.00 ATOM 330 CD GLN 49 -16.949 8.257 1.752 1.00 0.00 ATOM 331 OE1 GLN 49 -17.861 8.967 1.328 1.00 0.00 ATOM 332 NE2 GLN 49 -16.525 8.306 3.009 1.00 0.00 ATOM 333 O GLN 49 -19.985 5.670 -0.742 1.00 0.00 ATOM 334 C GLN 49 -19.179 4.978 -0.180 1.00 0.00 ATOM 335 N GLY 50 -19.114 3.666 -0.384 1.00 0.00 ATOM 336 CA GLY 50 -19.954 3.001 -1.360 1.00 0.00 ATOM 337 O GLY 50 -20.345 3.178 -3.724 1.00 0.00 ATOM 338 C GLY 50 -19.545 3.284 -2.802 1.00 0.00 ATOM 339 N LEU 51 -18.292 3.696 -3.008 1.00 0.00 ATOM 340 CA LEU 51 -17.828 4.060 -4.331 1.00 0.00 ATOM 341 CB LEU 51 -17.046 5.375 -4.280 1.00 0.00 ATOM 342 CG LEU 51 -17.799 6.592 -3.740 1.00 0.00 ATOM 343 CD1 LEU 51 -16.881 7.803 -3.669 1.00 0.00 ATOM 344 CD2 LEU 51 -18.976 6.938 -4.639 1.00 0.00 ATOM 345 O LEU 51 -16.206 2.327 -4.194 1.00 0.00 ATOM 346 C LEU 51 -16.911 2.994 -4.921 1.00 0.00 ATOM 347 N GLU 52 -16.937 2.858 -6.254 1.00 0.00 ATOM 348 CA GLU 52 -16.066 1.959 -6.992 1.00 0.00 ATOM 349 CB GLU 52 -16.569 1.784 -8.426 1.00 0.00 ATOM 350 CG GLU 52 -15.779 0.772 -9.241 1.00 0.00 ATOM 351 CD GLU 52 -16.336 0.591 -10.641 1.00 0.00 ATOM 352 OE1 GLU 52 -17.340 1.255 -10.971 1.00 0.00 ATOM 353 OE2 GLU 52 -15.767 -0.216 -11.406 1.00 0.00 ATOM 354 O GLU 52 -14.455 3.701 -7.383 1.00 0.00 ATOM 355 C GLU 52 -14.653 2.514 -7.039 1.00 0.00 ATOM 356 N ALA 53 -13.675 1.655 -6.762 1.00 0.00 ATOM 357 CA ALA 53 -12.260 1.996 -6.822 1.00 0.00 ATOM 358 CB ALA 53 -11.532 1.451 -5.603 1.00 0.00 ATOM 359 O ALA 53 -11.525 0.197 -8.185 1.00 0.00 ATOM 360 C ALA 53 -11.631 1.404 -8.068 1.00 0.00 ATOM 361 N ARG 54 -11.263 2.255 -9.021 1.00 0.00 ATOM 362 CA ARG 54 -10.548 1.808 -10.228 1.00 0.00 ATOM 363 CB ARG 54 -10.896 2.703 -11.419 1.00 0.00 ATOM 364 CG ARG 54 -10.222 2.297 -12.719 1.00 0.00 ATOM 365 CD ARG 54 -10.613 3.225 -13.857 1.00 0.00 ATOM 366 NE ARG 54 -9.919 2.891 -15.098 1.00 0.00 ATOM 367 CZ ARG 54 -9.967 3.629 -16.202 1.00 0.00 ATOM 368 NH1 ARG 54 -9.302 3.247 -17.285 1.00 0.00 ATOM 369 NH2 ARG 54 -10.681 4.748 -16.223 1.00 0.00 ATOM 370 O ARG 54 -8.402 2.805 -9.725 1.00 0.00 ATOM 371 C ARG 54 -9.018 1.820 -10.125 1.00 0.00 ATOM 372 N SER 55 -8.411 0.702 -10.478 1.00 0.00 ATOM 373 CA SER 55 -6.993 0.659 -10.701 1.00 0.00 ATOM 374 CB SER 55 -6.361 2.018 -10.393 1.00 0.00 ATOM 375 OG SER 55 -6.843 3.015 -11.276 1.00 0.00 ATOM 376 O SER 55 -6.992 -1.136 -9.112 1.00 0.00 ATOM 377 C SER 55 -6.352 -0.367 -9.824 1.00 0.00 ATOM 378 N PRO 56 -1.640 2.217 -5.597 1.00 0.00 ATOM 379 CA PRO 56 -1.973 3.187 -4.543 1.00 0.00 ATOM 380 CB PRO 56 -0.820 3.060 -3.545 1.00 0.00 ATOM 381 CG PRO 56 -0.338 1.657 -3.707 1.00 0.00 ATOM 382 CD PRO 56 -0.428 1.353 -5.177 1.00 0.00 ATOM 383 O PRO 56 -2.998 5.288 -4.767 1.00 0.00 ATOM 384 C PRO 56 -2.067 4.589 -5.108 1.00 0.00 ATOM 385 N ARG 57 -1.157 5.022 -5.993 1.00 0.00 ATOM 386 CA ARG 57 -1.365 6.296 -6.676 1.00 0.00 ATOM 387 CB ARG 57 -0.264 6.536 -7.711 1.00 0.00 ATOM 388 CG ARG 57 -0.381 7.861 -8.445 1.00 0.00 ATOM 389 CD ARG 57 0.804 8.085 -9.373 1.00 0.00 ATOM 390 NE ARG 57 0.686 9.336 -10.118 1.00 0.00 ATOM 391 CZ ARG 57 1.560 9.745 -11.031 1.00 0.00 ATOM 392 NH1 ARG 57 1.372 10.898 -11.659 1.00 0.00 ATOM 393 NH2 ARG 57 2.620 9.001 -11.314 1.00 0.00 ATOM 394 O ARG 57 -3.294 7.431 -7.336 1.00 0.00 ATOM 395 C ARG 57 -2.695 6.368 -7.412 1.00 0.00 ATOM 396 N ALA 58 -3.159 5.272 -8.029 1.00 0.00 ATOM 397 CA ALA 58 -4.446 5.249 -8.730 1.00 0.00 ATOM 398 CB ALA 58 -4.708 3.869 -9.313 1.00 0.00 ATOM 399 O ALA 58 -6.319 6.523 -7.950 1.00 0.00 ATOM 400 C ALA 58 -5.554 5.597 -7.739 1.00 0.00 ATOM 401 N ALA 59 -5.617 4.864 -6.636 1.00 0.00 ATOM 402 CA ALA 59 -6.720 5.030 -5.697 1.00 0.00 ATOM 403 CB ALA 59 -6.679 3.944 -4.634 1.00 0.00 ATOM 404 O ALA 59 -7.673 7.045 -4.810 1.00 0.00 ATOM 405 C ALA 59 -6.659 6.389 -4.984 1.00 0.00 ATOM 406 N ILE 60 -5.483 6.823 -4.561 1.00 0.00 ATOM 407 CA ILE 60 -5.372 8.169 -3.933 1.00 0.00 ATOM 408 CB ILE 60 -3.940 8.445 -3.440 1.00 0.00 ATOM 409 CG1 ILE 60 -3.557 7.459 -2.334 1.00 0.00 ATOM 410 CG2 ILE 60 -3.830 9.857 -2.885 1.00 0.00 ATOM 411 CD1 ILE 60 -4.467 7.514 -1.126 1.00 0.00 ATOM 412 O ILE 60 -6.301 10.300 -4.455 1.00 0.00 ATOM 413 C ILE 60 -5.724 9.300 -4.870 1.00 0.00 ATOM 414 N ARG 61 -5.396 9.156 -6.149 1.00 0.00 ATOM 415 CA ARG 61 -5.776 10.145 -7.131 1.00 0.00 ATOM 416 CB ARG 61 -5.238 9.763 -8.512 1.00 0.00 ATOM 417 CG ARG 61 -5.532 10.786 -9.598 1.00 0.00 ATOM 418 CD ARG 61 -5.053 10.301 -10.956 1.00 0.00 ATOM 419 NE ARG 61 -5.796 9.129 -11.413 1.00 0.00 ATOM 420 CZ ARG 61 -7.017 9.175 -11.938 1.00 0.00 ATOM 421 NH1 ARG 61 -7.614 8.058 -12.326 1.00 0.00 ATOM 422 NH2 ARG 61 -7.636 10.341 -12.072 1.00 0.00 ATOM 423 O ARG 61 -7.800 11.354 -7.243 1.00 0.00 ATOM 424 C ARG 61 -7.282 10.259 -7.224 1.00 0.00 ATOM 425 N GLY 62 -7.996 9.130 -7.287 1.00 0.00 ATOM 426 CA GLY 62 -9.464 9.136 -7.360 1.00 0.00 ATOM 427 O GLY 62 -10.983 10.544 -6.110 1.00 0.00 ATOM 428 C GLY 62 -10.035 9.757 -6.079 1.00 0.00 ATOM 429 N ALA 63 -9.440 9.384 -4.957 1.00 0.00 ATOM 430 CA ALA 63 -9.895 9.873 -3.653 1.00 0.00 ATOM 431 CB ALA 63 -9.057 9.267 -2.539 1.00 0.00 ATOM 432 O ALA 63 -10.597 12.035 -2.839 1.00 0.00 ATOM 433 C ALA 63 -9.791 11.409 -3.533 1.00 0.00 ATOM 434 N PHE 64 -8.825 12.009 -4.242 1.00 0.00 ATOM 435 CA PHE 64 -8.585 13.480 -4.260 1.00 0.00 ATOM 436 CB PHE 64 -7.414 13.821 -5.184 1.00 0.00 ATOM 437 CG PHE 64 -6.951 15.246 -5.077 1.00 0.00 ATOM 438 CD1 PHE 64 -6.244 15.678 -3.967 1.00 0.00 ATOM 439 CD2 PHE 64 -7.223 16.154 -6.084 1.00 0.00 ATOM 440 CE1 PHE 64 -5.820 16.989 -3.869 1.00 0.00 ATOM 441 CE2 PHE 64 -6.798 17.465 -5.985 1.00 0.00 ATOM 442 CZ PHE 64 -6.099 17.884 -4.884 1.00 0.00 ATOM 443 O PHE 64 -9.810 15.560 -4.451 1.00 0.00 ATOM 444 C PHE 64 -9.751 14.350 -4.741 1.00 0.00 ATOM 445 N GLN 65 -10.669 13.752 -5.501 1.00 0.00 ATOM 446 CA GLN 65 -11.856 14.457 -5.993 1.00 0.00 ATOM 447 CB GLN 65 -12.564 13.631 -7.070 1.00 0.00 ATOM 448 CG GLN 65 -11.784 13.507 -8.368 1.00 0.00 ATOM 449 CD GLN 65 -12.502 12.660 -9.400 1.00 0.00 ATOM 450 OE1 GLN 65 -13.612 12.183 -9.162 1.00 0.00 ATOM 451 NE2 GLN 65 -11.870 12.471 -10.554 1.00 0.00 ATOM 452 O GLN 65 -13.737 15.559 -4.972 1.00 0.00 ATOM 453 C GLN 65 -12.849 14.713 -4.860 1.00 0.00 ATOM 454 N VAL 66 -12.676 13.992 -3.759 1.00 0.00 ATOM 455 CA VAL 66 -13.624 14.023 -2.657 1.00 0.00 ATOM 456 CB VAL 66 -14.223 12.631 -2.387 1.00 0.00 ATOM 457 CG1 VAL 66 -15.139 12.671 -1.173 1.00 0.00 ATOM 458 CG2 VAL 66 -15.032 12.158 -3.585 1.00 0.00 ATOM 459 O VAL 66 -13.643 15.228 -0.549 1.00 0.00 ATOM 460 C VAL 66 -13.006 14.493 -1.326 1.00 0.00 ATOM 461 N GLY 67 -11.785 14.031 -1.063 1.00 0.00 ATOM 462 CA GLY 67 -11.037 14.395 0.138 1.00 0.00 ATOM 463 O GLY 67 -9.054 14.595 -1.128 1.00 0.00 ATOM 464 C GLY 67 -9.693 14.998 -0.188 1.00 0.00 ATOM 465 N LEU 68 -9.250 15.921 0.642 1.00 0.00 ATOM 466 CA LEU 68 -7.923 16.453 0.501 1.00 0.00 ATOM 467 CB LEU 68 -7.748 17.695 1.378 1.00 0.00 ATOM 468 CG LEU 68 -6.398 18.409 1.276 1.00 0.00 ATOM 469 CD1 LEU 68 -6.202 18.996 -0.113 1.00 0.00 ATOM 470 CD2 LEU 68 -6.313 19.543 2.288 1.00 0.00 ATOM 471 O LEU 68 -6.913 14.898 2.058 1.00 0.00 ATOM 472 C LEU 68 -6.885 15.405 0.924 1.00 0.00 ATOM 473 N LEU 69 -5.997 15.074 0.004 1.00 0.00 ATOM 474 CA LEU 69 -4.911 14.124 0.260 1.00 0.00 ATOM 475 CB LEU 69 -4.833 13.084 -0.859 1.00 0.00 ATOM 476 CG LEU 69 -3.706 12.056 -0.754 1.00 0.00 ATOM 477 CD1 LEU 69 -3.895 11.176 0.473 1.00 0.00 ATOM 478 CD2 LEU 69 -3.678 11.159 -1.982 1.00 0.00 ATOM 479 O LEU 69 -3.165 15.495 -0.676 1.00 0.00 ATOM 480 C LEU 69 -3.594 14.884 0.329 1.00 0.00 ATOM 481 N PRO 70 -2.930 14.822 1.473 1.00 0.00 ATOM 482 CA PRO 70 -1.663 15.528 1.619 1.00 0.00 ATOM 483 CB PRO 70 -1.192 15.155 3.026 1.00 0.00 ATOM 484 CG PRO 70 -2.444 14.813 3.760 1.00 0.00 ATOM 485 CD PRO 70 -3.333 14.118 2.769 1.00 0.00 ATOM 486 O PRO 70 -0.612 13.895 0.152 1.00 0.00 ATOM 487 C PRO 70 -0.657 15.079 0.554 1.00 0.00 ATOM 488 N GLU 71 0.112 16.048 0.082 1.00 0.00 ATOM 489 CA GLU 71 1.097 15.828 -0.949 1.00 0.00 ATOM 490 CB GLU 71 1.884 17.111 -1.222 1.00 0.00 ATOM 491 CG GLU 71 1.080 18.195 -1.921 1.00 0.00 ATOM 492 CD GLU 71 1.851 19.492 -2.065 1.00 0.00 ATOM 493 OE1 GLU 71 2.987 19.568 -1.551 1.00 0.00 ATOM 494 OE2 GLU 71 1.320 20.434 -2.691 1.00 0.00 ATOM 495 O GLU 71 2.451 13.933 -1.378 1.00 0.00 ATOM 496 C GLU 71 2.078 14.757 -0.549 1.00 0.00 ATOM 497 N ASP 72 2.517 14.772 0.706 1.00 0.00 ATOM 498 CA ASP 72 3.498 13.792 1.161 1.00 0.00 ATOM 499 CB ASP 72 3.896 14.068 2.613 1.00 0.00 ATOM 500 CG ASP 72 5.081 13.235 3.060 1.00 0.00 ATOM 501 OD1 ASP 72 5.670 12.534 2.210 1.00 0.00 ATOM 502 OD2 ASP 72 5.423 13.283 4.261 1.00 0.00 ATOM 503 O ASP 72 3.765 11.461 0.905 1.00 0.00 ATOM 504 C ASP 72 2.985 12.366 1.104 1.00 0.00 ATOM 505 N PRO 73 3.284 11.394 -2.501 1.00 0.00 ATOM 506 CA PRO 73 4.717 11.110 -2.650 1.00 0.00 ATOM 507 CB PRO 73 5.398 12.181 -1.796 1.00 0.00 ATOM 508 CG PRO 73 4.460 13.342 -1.834 1.00 0.00 ATOM 509 CD PRO 73 3.076 12.761 -1.756 1.00 0.00 ATOM 510 O PRO 73 5.719 8.941 -2.841 1.00 0.00 ATOM 511 C PRO 73 5.055 9.697 -2.154 1.00 0.00 ATOM 512 N PHE 74 4.600 9.357 -0.962 1.00 0.00 ATOM 513 CA PHE 74 4.849 8.009 -0.425 1.00 0.00 ATOM 514 CB PHE 74 4.244 7.870 0.973 1.00 0.00 ATOM 515 CG PHE 74 4.946 8.683 2.022 1.00 0.00 ATOM 516 CD1 PHE 74 6.201 9.213 1.782 1.00 0.00 ATOM 517 CD2 PHE 74 4.350 8.920 3.249 1.00 0.00 ATOM 518 CE1 PHE 74 6.848 9.962 2.747 1.00 0.00 ATOM 519 CE2 PHE 74 4.996 9.669 4.214 1.00 0.00 ATOM 520 CZ PHE 74 6.239 10.190 3.967 1.00 0.00 ATOM 521 O PHE 74 4.829 5.865 -1.520 1.00 0.00 ATOM 522 C PHE 74 4.236 6.929 -1.309 1.00 0.00 ATOM 523 N TRP 75 3.031 7.207 -1.807 1.00 0.00 ATOM 524 CA TRP 75 2.308 6.259 -2.633 1.00 0.00 ATOM 525 CB TRP 75 0.945 6.828 -3.034 1.00 0.00 ATOM 526 CG TRP 75 -0.050 6.846 -1.914 1.00 0.00 ATOM 527 CD1 TRP 75 -0.523 7.943 -1.255 1.00 0.00 ATOM 528 CD2 TRP 75 -0.695 5.711 -1.321 1.00 0.00 ATOM 529 CE2 TRP 75 -1.545 6.198 -0.309 1.00 0.00 ATOM 530 CE3 TRP 75 -0.636 4.333 -1.547 1.00 0.00 ATOM 531 NE1 TRP 75 -1.422 7.564 -0.288 1.00 0.00 ATOM 532 CZ2 TRP 75 -2.332 5.355 0.476 1.00 0.00 ATOM 533 CZ3 TRP 75 -1.417 3.501 -0.767 1.00 0.00 ATOM 534 CH2 TRP 75 -2.253 4.011 0.232 1.00 0.00 ATOM 535 O TRP 75 3.173 4.848 -4.330 1.00 0.00 ATOM 536 C TRP 75 3.106 5.969 -3.884 1.00 0.00 ATOM 537 N LEU 76 3.729 6.988 -4.431 1.00 0.00 ATOM 538 CA LEU 76 4.469 6.818 -5.671 1.00 0.00 ATOM 539 CB LEU 76 4.903 8.176 -6.227 1.00 0.00 ATOM 540 CG LEU 76 5.671 8.154 -7.550 1.00 0.00 ATOM 541 CD1 LEU 76 4.824 7.535 -8.652 1.00 0.00 ATOM 542 CD2 LEU 76 6.050 9.563 -7.976 1.00 0.00 ATOM 543 O LEU 76 6.035 5.157 -6.253 1.00 0.00 ATOM 544 C LEU 76 5.704 5.976 -5.421 1.00 0.00 ATOM 545 N GLU 77 6.326 6.130 -4.250 1.00 0.00 ATOM 546 CA GLU 77 7.454 5.296 -3.875 1.00 0.00 ATOM 547 CB GLU 77 8.068 5.783 -2.561 1.00 0.00 ATOM 548 CG GLU 77 8.794 7.114 -2.672 1.00 0.00 ATOM 549 CD GLU 77 9.282 7.625 -1.331 1.00 0.00 ATOM 550 OE1 GLU 77 8.989 6.975 -0.306 1.00 0.00 ATOM 551 OE2 GLU 77 9.957 8.676 -1.306 1.00 0.00 ATOM 552 O GLU 77 7.757 2.913 -4.057 1.00 0.00 ATOM 553 C GLU 77 7.032 3.839 -3.685 1.00 0.00 ATOM 554 N MET 78 5.853 3.637 -3.119 1.00 0.00 ATOM 555 CA MET 78 5.338 2.302 -2.872 1.00 0.00 ATOM 556 CB MET 78 4.096 2.362 -1.981 1.00 0.00 ATOM 557 CG MET 78 4.381 2.777 -0.546 1.00 0.00 ATOM 558 SD MET 78 2.941 2.603 0.526 1.00 0.00 ATOM 559 CE MET 78 1.960 4.009 0.007 1.00 0.00 ATOM 560 O MET 78 4.995 0.385 -4.251 1.00 0.00 ATOM 561 C MET 78 4.953 1.611 -4.162 1.00 0.00 ATOM 562 N LEU 79 4.582 2.402 -5.153 1.00 0.00 ATOM 563 CA LEU 79 4.162 1.875 -6.437 1.00 0.00 ATOM 564 CB LEU 79 3.582 2.990 -7.309 1.00 0.00 ATOM 565 CG LEU 79 2.365 3.727 -6.748 1.00 0.00 ATOM 566 CD1 LEU 79 1.958 4.872 -7.663 1.00 0.00 ATOM 567 CD2 LEU 79 1.180 2.784 -6.611 1.00 0.00 ATOM 568 O LEU 79 5.044 0.415 -8.110 1.00 0.00 ATOM 569 C LEU 79 5.304 1.235 -7.229 1.00 0.00 ATOM 573 N ASN 83 27.467 -6.854 0.810 1.00 0.00 ATOM 574 CA ASN 83 27.752 -6.705 2.221 1.00 0.00 ATOM 575 CB ASN 83 29.253 -6.509 2.448 1.00 0.00 ATOM 576 CG ASN 83 29.764 -5.207 1.863 1.00 0.00 ATOM 577 ND2 ASN 83 31.064 -4.971 1.995 1.00 0.00 ATOM 578 OD1 ASN 83 28.998 -4.424 1.300 1.00 0.00 ATOM 579 O ASN 83 25.922 -5.209 2.398 1.00 0.00 ATOM 580 C ASN 83 27.044 -5.526 2.815 1.00 0.00 ATOM 581 N LEU 84 27.671 -4.884 3.796 1.00 0.00 ATOM 582 CA LEU 84 27.057 -3.748 4.502 1.00 0.00 ATOM 583 CB LEU 84 28.071 -3.085 5.435 1.00 0.00 ATOM 584 CG LEU 84 28.485 -3.891 6.669 1.00 0.00 ATOM 585 CD1 LEU 84 29.613 -3.193 7.414 1.00 0.00 ATOM 586 CD2 LEU 84 27.312 -4.051 7.624 1.00 0.00 ATOM 587 O LEU 84 25.425 -2.117 3.952 1.00 0.00 ATOM 588 C LEU 84 26.506 -2.602 3.640 1.00 0.00 ATOM 589 N THR 85 27.193 -2.123 2.599 1.00 0.00 ATOM 590 CA THR 85 26.621 -1.009 1.817 1.00 0.00 ATOM 591 CB THR 85 27.538 -0.615 0.645 1.00 0.00 ATOM 592 CG2 THR 85 26.909 0.506 -0.169 1.00 0.00 ATOM 593 OG1 THR 85 28.801 -0.165 1.153 1.00 0.00 ATOM 594 O THR 85 24.277 -0.577 1.358 1.00 0.00 ATOM 595 C THR 85 25.251 -1.338 1.203 1.00 0.00 ATOM 596 N ASN 86 25.160 -2.498 0.569 1.00 0.00 ATOM 597 CA ASN 86 23.910 -2.903 -0.073 1.00 0.00 ATOM 598 CB ASN 86 24.125 -4.152 -0.928 1.00 0.00 ATOM 599 CG ASN 86 24.899 -3.863 -2.198 1.00 0.00 ATOM 600 ND2 ASN 86 25.501 -4.897 -2.774 1.00 0.00 ATOM 601 OD1 ASN 86 24.955 -2.721 -2.656 1.00 0.00 ATOM 602 O ASN 86 21.661 -2.842 0.735 1.00 0.00 ATOM 603 C ASN 86 22.820 -3.225 0.925 1.00 0.00 ATOM 604 N HIS 87 23.178 -3.966 1.967 1.00 0.00 ATOM 605 CA HIS 87 22.221 -4.357 2.985 1.00 0.00 ATOM 606 CB HIS 87 22.863 -5.324 3.981 1.00 0.00 ATOM 607 CG HIS 87 21.929 -5.803 5.048 1.00 0.00 ATOM 608 CD2 HIS 87 21.795 -5.592 6.483 1.00 0.00 ATOM 609 ND1 HIS 87 20.879 -6.657 4.790 1.00 0.00 ATOM 610 CE1 HIS 87 20.224 -6.906 5.938 1.00 0.00 ATOM 611 NE2 HIS 87 20.768 -6.269 6.957 1.00 0.00 ATOM 612 O HIS 87 20.531 -3.158 4.138 1.00 0.00 ATOM 613 C HIS 87 21.701 -3.176 3.771 1.00 0.00 ATOM 614 N THR 88 22.568 -2.203 4.040 1.00 0.00 ATOM 615 CA THR 88 22.148 -1.000 4.718 1.00 0.00 ATOM 616 CB THR 88 23.342 -0.073 5.015 1.00 0.00 ATOM 617 CG2 THR 88 22.869 1.206 5.690 1.00 0.00 ATOM 618 OG1 THR 88 24.267 -0.741 5.881 1.00 0.00 ATOM 619 O THR 88 20.118 0.172 4.385 1.00 0.00 ATOM 620 C THR 88 21.164 -0.229 3.875 1.00 0.00 ATOM 621 N TYR 89 21.451 -0.066 2.592 1.00 0.00 ATOM 622 CA TYR 89 20.572 0.642 1.669 1.00 0.00 ATOM 623 CB TYR 89 21.178 0.664 0.264 1.00 0.00 ATOM 624 CG TYR 89 20.307 1.347 -0.767 1.00 0.00 ATOM 625 CD1 TYR 89 20.268 2.732 -0.860 1.00 0.00 ATOM 626 CD2 TYR 89 19.528 0.603 -1.644 1.00 0.00 ATOM 627 CE1 TYR 89 19.476 3.364 -1.800 1.00 0.00 ATOM 628 CE2 TYR 89 18.730 1.218 -2.590 1.00 0.00 ATOM 629 CZ TYR 89 18.709 2.610 -2.661 1.00 0.00 ATOM 630 OH TYR 89 17.919 3.238 -3.597 1.00 0.00 ATOM 631 O TYR 89 18.188 0.558 1.723 1.00 0.00 ATOM 632 C TYR 89 19.226 -0.080 1.630 1.00 0.00 ATOM 633 N ASP 90 19.246 -1.406 1.528 1.00 0.00 ATOM 634 CA ASP 90 17.989 -2.180 1.405 1.00 0.00 ATOM 635 CB ASP 90 18.294 -3.649 1.102 1.00 0.00 ATOM 636 CG ASP 90 18.778 -3.863 -0.317 1.00 0.00 ATOM 637 OD1 ASP 90 18.650 -2.930 -1.137 1.00 0.00 ATOM 638 OD2 ASP 90 19.290 -4.964 -0.611 1.00 0.00 ATOM 639 O ASP 90 15.926 -2.077 2.617 1.00 0.00 ATOM 640 C ASP 90 17.145 -2.152 2.668 1.00 0.00 ATOM 641 N GLU 91 17.807 -2.266 3.807 1.00 0.00 ATOM 642 CA GLU 91 17.146 -2.215 5.103 1.00 0.00 ATOM 643 CB GLU 91 18.162 -2.409 6.231 1.00 0.00 ATOM 644 CG GLU 91 17.551 -2.416 7.621 1.00 0.00 ATOM 645 CD GLU 91 18.581 -2.645 8.710 1.00 0.00 ATOM 646 OE1 GLU 91 19.774 -2.810 8.374 1.00 0.00 ATOM 647 OE2 GLU 91 18.198 -2.657 9.898 1.00 0.00 ATOM 648 O GLU 91 15.323 -0.814 5.731 1.00 0.00 ATOM 649 C GLU 91 16.455 -0.865 5.305 1.00 0.00 ATOM 650 N ALA 92 17.150 0.233 5.017 1.00 0.00 ATOM 651 CA ALA 92 16.576 1.565 5.157 1.00 0.00 ATOM 652 CB ALA 92 17.618 2.626 4.841 1.00 0.00 ATOM 653 O ALA 92 14.334 2.291 4.589 1.00 0.00 ATOM 654 C ALA 92 15.392 1.769 4.206 1.00 0.00 ATOM 655 N LEU 93 15.568 1.326 2.976 1.00 0.00 ATOM 656 CA LEU 93 14.552 1.448 1.952 1.00 0.00 ATOM 657 CB LEU 93 15.053 0.871 0.627 1.00 0.00 ATOM 658 CG LEU 93 14.073 0.919 -0.548 1.00 0.00 ATOM 659 CD1 LEU 93 13.711 2.356 -0.888 1.00 0.00 ATOM 660 CD2 LEU 93 14.684 0.276 -1.784 1.00 0.00 ATOM 661 O LEU 93 12.159 1.230 2.247 1.00 0.00 ATOM 662 C LEU 93 13.280 0.688 2.365 1.00 0.00 ATOM 663 N ALA 94 13.456 -0.542 2.871 1.00 0.00 ATOM 664 CA ALA 94 12.334 -1.374 3.320 1.00 0.00 ATOM 665 CB ALA 94 12.823 -2.763 3.701 1.00 0.00 ATOM 666 O ALA 94 10.429 -0.712 4.596 1.00 0.00 ATOM 667 C ALA 94 11.658 -0.741 4.542 1.00 0.00 ATOM 668 N GLU 95 12.431 -0.235 5.503 1.00 0.00 ATOM 669 CA GLU 95 11.843 0.463 6.664 1.00 0.00 ATOM 670 CB GLU 95 12.944 0.979 7.593 1.00 0.00 ATOM 671 CG GLU 95 13.679 -0.116 8.350 1.00 0.00 ATOM 672 CD GLU 95 14.841 0.420 9.164 1.00 0.00 ATOM 673 OE1 GLU 95 15.117 1.635 9.079 1.00 0.00 ATOM 674 OE2 GLU 95 15.475 -0.377 9.888 1.00 0.00 ATOM 675 O GLU 95 9.932 1.858 6.765 1.00 0.00 ATOM 676 C GLU 95 11.003 1.651 6.237 1.00 0.00 ATOM 677 N ARG 96 11.524 2.423 5.297 1.00 0.00 ATOM 678 CA ARG 96 10.845 3.577 4.728 1.00 0.00 ATOM 679 CB ARG 96 11.686 4.194 3.607 1.00 0.00 ATOM 680 CG ARG 96 12.941 4.900 4.091 1.00 0.00 ATOM 681 CD ARG 96 13.750 5.447 2.926 1.00 0.00 ATOM 682 NE ARG 96 14.986 6.088 3.370 1.00 0.00 ATOM 683 CZ ARG 96 15.899 6.597 2.550 1.00 0.00 ATOM 684 NH1 ARG 96 16.994 7.161 3.044 1.00 0.00 ATOM 685 NH2 ARG 96 15.716 6.544 1.237 1.00 0.00 ATOM 686 O ARG 96 8.438 3.825 4.412 1.00 0.00 ATOM 687 C ARG 96 9.479 3.176 4.141 1.00 0.00 ATOM 688 N ILE 97 9.493 2.146 3.321 1.00 0.00 ATOM 689 CA ILE 97 8.267 1.716 2.652 1.00 0.00 ATOM 690 CB ILE 97 8.542 0.596 1.632 1.00 0.00 ATOM 691 CG1 ILE 97 9.371 1.132 0.462 1.00 0.00 ATOM 692 CG2 ILE 97 7.238 0.042 1.083 1.00 0.00 ATOM 693 CD1 ILE 97 9.909 0.053 -0.451 1.00 0.00 ATOM 694 O ILE 97 6.033 1.366 3.509 1.00 0.00 ATOM 695 C ILE 97 7.241 1.179 3.662 1.00 0.00 ATOM 696 N TYR 98 7.709 0.479 4.680 1.00 0.00 ATOM 697 CA TYR 98 6.817 -0.023 5.718 1.00 0.00 ATOM 698 CB TYR 98 7.588 -0.888 6.717 1.00 0.00 ATOM 699 CG TYR 98 6.740 -1.416 7.852 1.00 0.00 ATOM 700 CD1 TYR 98 5.916 -2.519 7.671 1.00 0.00 ATOM 701 CD2 TYR 98 6.768 -0.810 9.101 1.00 0.00 ATOM 702 CE1 TYR 98 5.139 -3.008 8.704 1.00 0.00 ATOM 703 CE2 TYR 98 5.998 -1.285 10.145 1.00 0.00 ATOM 704 CZ TYR 98 5.178 -2.395 9.936 1.00 0.00 ATOM 705 OH TYR 98 4.405 -2.880 10.965 1.00 0.00 ATOM 706 O TYR 98 4.972 1.237 6.722 1.00 0.00 ATOM 707 C TYR 98 6.202 1.185 6.451 1.00 0.00 ATOM 708 N ALA 99 7.047 2.161 6.801 1.00 0.00 ATOM 709 CA ALA 99 6.535 3.354 7.437 1.00 0.00 ATOM 710 CB ALA 99 7.668 4.329 7.724 1.00 0.00 ATOM 711 O ALA 99 4.525 4.586 7.079 1.00 0.00 ATOM 712 C ALA 99 5.514 4.085 6.576 1.00 0.00 ATOM 713 N GLU 100 5.781 4.167 5.285 1.00 0.00 ATOM 714 CA GLU 100 4.861 4.834 4.360 1.00 0.00 ATOM 715 CB GLU 100 5.420 4.805 2.936 1.00 0.00 ATOM 716 CG GLU 100 6.626 5.705 2.725 1.00 0.00 ATOM 717 CD GLU 100 7.226 5.558 1.340 1.00 0.00 ATOM 718 OE1 GLU 100 6.745 4.701 0.571 1.00 0.00 ATOM 719 OE2 GLU 100 8.179 6.303 1.024 1.00 0.00 ATOM 720 O GLU 100 2.503 4.801 4.367 1.00 0.00 ATOM 721 C GLU 100 3.519 4.131 4.370 1.00 0.00 ATOM 722 N LEU 101 3.520 2.801 4.352 1.00 0.00 ATOM 723 CA LEU 101 2.271 2.057 4.326 1.00 0.00 ATOM 724 CB LEU 101 2.542 0.559 4.177 1.00 0.00 ATOM 725 CG LEU 101 1.314 -0.354 4.149 1.00 0.00 ATOM 726 CD1 LEU 101 0.418 -0.012 2.967 1.00 0.00 ATOM 727 CD2 LEU 101 1.729 -1.811 4.021 1.00 0.00 ATOM 728 O LEU 101 0.296 2.545 5.638 1.00 0.00 ATOM 729 C LEU 101 1.495 2.295 5.637 1.00 0.00 ATOM 730 N PRO 102 2.207 2.226 6.747 1.00 0.00 ATOM 731 CA PRO 102 1.643 2.566 8.018 1.00 0.00 ATOM 732 CB PRO 102 2.823 2.461 8.987 1.00 0.00 ATOM 733 CG PRO 102 3.730 1.453 8.362 1.00 0.00 ATOM 734 CD PRO 102 3.671 1.700 6.882 1.00 0.00 ATOM 735 O PRO 102 -0.069 4.148 8.635 1.00 0.00 ATOM 736 C PRO 102 1.028 3.978 8.095 1.00 0.00 ATOM 737 N LYS 103 1.734 4.968 7.554 1.00 0.00 ATOM 738 CA LYS 103 1.237 6.309 7.447 1.00 0.00 ATOM 739 CB LYS 103 2.250 7.201 6.728 1.00 0.00 ATOM 740 CG LYS 103 1.814 8.651 6.591 1.00 0.00 ATOM 741 CD LYS 103 1.768 9.343 7.943 1.00 0.00 ATOM 742 CE LYS 103 1.473 10.827 7.795 1.00 0.00 ATOM 743 NZ LYS 103 1.429 11.520 9.112 1.00 0.00 ATOM 744 O LYS 103 -1.026 7.033 7.099 1.00 0.00 ATOM 745 C LYS 103 -0.065 6.388 6.672 1.00 0.00 ATOM 746 N ALA 104 -0.111 5.703 5.527 1.00 0.00 ATOM 747 CA ALA 104 -1.310 5.671 4.727 1.00 0.00 ATOM 748 CB ALA 104 -1.065 4.905 3.435 1.00 0.00 ATOM 749 O ALA 104 -3.628 5.501 5.452 1.00 0.00 ATOM 750 C ALA 104 -2.461 4.988 5.466 1.00 0.00 ATOM 751 N LEU 105 -2.176 3.841 6.088 1.00 0.00 ATOM 752 CA LEU 105 -3.172 3.166 6.915 1.00 0.00 ATOM 753 CB LEU 105 -2.548 1.970 7.636 1.00 0.00 ATOM 754 CG LEU 105 -3.477 1.170 8.551 1.00 0.00 ATOM 755 CD1 LEU 105 -4.605 0.537 7.751 1.00 0.00 ATOM 756 CD2 LEU 105 -2.712 0.059 9.255 1.00 0.00 ATOM 757 O LEU 105 -4.977 4.177 8.140 1.00 0.00 ATOM 758 C LEU 105 -3.768 4.104 7.995 1.00 0.00 ATOM 759 N GLU 106 -2.919 4.830 8.716 1.00 0.00 ATOM 760 CA GLU 106 -3.351 5.703 9.803 1.00 0.00 ATOM 761 CB GLU 106 -2.142 6.222 10.585 1.00 0.00 ATOM 762 CG GLU 106 -1.434 5.161 11.410 1.00 0.00 ATOM 763 CD GLU 106 -0.172 5.682 12.071 1.00 0.00 ATOM 764 OE1 GLU 106 0.186 6.853 11.825 1.00 0.00 ATOM 765 OE2 GLU 106 0.456 4.919 12.834 1.00 0.00 ATOM 766 O GLU 106 -5.128 7.327 9.833 1.00 0.00 ATOM 767 C GLU 106 -4.131 6.917 9.256 1.00 0.00 ATOM 768 N ARG 107 -3.732 7.424 8.102 1.00 0.00 ATOM 769 CA ARG 107 -4.506 8.481 7.419 1.00 0.00 ATOM 770 CB ARG 107 -3.806 8.908 6.127 1.00 0.00 ATOM 771 CG ARG 107 -2.522 9.690 6.347 1.00 0.00 ATOM 772 CD ARG 107 -1.856 10.040 5.025 1.00 0.00 ATOM 773 NE ARG 107 -0.593 10.750 5.220 1.00 0.00 ATOM 774 CZ ARG 107 0.215 11.122 4.233 1.00 0.00 ATOM 775 NH1 ARG 107 1.342 11.764 4.505 1.00 0.00 ATOM 776 NH2 ARG 107 -0.108 10.852 2.974 1.00 0.00 ATOM 777 O ARG 107 -6.960 8.723 7.295 1.00 0.00 ATOM 778 C ARG 107 -5.923 8.013 7.047 1.00 0.00 ATOM 779 N PHE 108 -5.997 6.847 6.411 1.00 0.00 ATOM 780 CA PHE 108 -7.272 6.230 6.087 1.00 0.00 ATOM 781 CB PHE 108 -7.054 4.899 5.365 1.00 0.00 ATOM 782 CG PHE 108 -6.698 5.047 3.914 1.00 0.00 ATOM 783 CD1 PHE 108 -5.385 4.922 3.490 1.00 0.00 ATOM 784 CD2 PHE 108 -7.674 5.315 2.970 1.00 0.00 ATOM 785 CE1 PHE 108 -5.058 5.059 2.156 1.00 0.00 ATOM 786 CE2 PHE 108 -7.345 5.453 1.634 1.00 0.00 ATOM 787 CZ PHE 108 -6.044 5.326 1.226 1.00 0.00 ATOM 788 O PHE 108 -9.334 6.189 7.329 1.00 0.00 ATOM 789 C PHE 108 -8.113 5.943 7.342 1.00 0.00 ATOM 790 N GLN 109 -7.481 5.459 8.407 1.00 0.00 ATOM 791 CA GLN 109 -8.179 5.288 9.714 1.00 0.00 ATOM 792 CB GLN 109 -7.202 4.795 10.783 1.00 0.00 ATOM 793 CG GLN 109 -6.748 3.357 10.592 1.00 0.00 ATOM 794 CD GLN 109 -5.681 2.946 11.589 1.00 0.00 ATOM 795 OE1 GLN 109 -5.215 3.762 12.385 1.00 0.00 ATOM 796 NE2 GLN 109 -5.293 1.677 11.548 1.00 0.00 ATOM 797 O GLN 109 -9.957 6.678 10.578 1.00 0.00 ATOM 798 C GLN 109 -8.782 6.614 10.194 1.00 0.00 ATOM 799 N GLU 110 -7.994 7.677 10.138 1.00 0.00 ATOM 800 CA GLU 110 -8.418 9.006 10.544 1.00 0.00 ATOM 801 CB GLU 110 -7.276 10.009 10.374 1.00 0.00 ATOM 802 CG GLU 110 -6.142 9.833 11.370 1.00 0.00 ATOM 803 CD GLU 110 -4.975 10.760 11.094 1.00 0.00 ATOM 804 OE1 GLU 110 -5.021 11.490 10.082 1.00 0.00 ATOM 805 OE2 GLU 110 -4.014 10.760 11.892 1.00 0.00 ATOM 806 O GLU 110 -10.541 10.068 10.257 1.00 0.00 ATOM 807 C GLU 110 -9.598 9.494 9.713 1.00 0.00 ATOM 808 N LEU 111 -9.536 9.264 8.405 1.00 0.00 ATOM 809 CA LEU 111 -10.639 9.562 7.501 1.00 0.00 ATOM 810 CB LEU 111 -10.257 9.226 6.058 1.00 0.00 ATOM 811 CG LEU 111 -9.212 10.134 5.404 1.00 0.00 ATOM 812 CD1 LEU 111 -8.786 9.579 4.054 1.00 0.00 ATOM 813 CD2 LEU 111 -9.773 11.531 5.189 1.00 0.00 ATOM 814 O LEU 111 -13.014 9.340 8.006 1.00 0.00 ATOM 815 C LEU 111 -11.918 8.752 7.846 1.00 0.00 ATOM 816 N LEU 112 -11.789 7.431 7.989 1.00 0.00 ATOM 817 CA LEU 112 -12.909 6.562 8.326 1.00 0.00 ATOM 818 CB LEU 112 -12.452 5.103 8.400 1.00 0.00 ATOM 819 CG LEU 112 -12.041 4.455 7.076 1.00 0.00 ATOM 820 CD1 LEU 112 -11.454 3.071 7.315 1.00 0.00 ATOM 821 CD2 LEU 112 -13.241 4.308 6.154 1.00 0.00 ATOM 822 O LEU 112 -14.774 6.685 9.849 1.00 0.00 ATOM 823 C LEU 112 -13.559 6.891 9.679 1.00 0.00 ATOM 824 N ARG 113 -12.767 7.430 10.599 1.00 0.00 ATOM 825 CA ARG 113 -13.252 7.789 11.931 1.00 0.00 ATOM 826 CB ARG 113 -12.081 8.124 12.856 1.00 0.00 ATOM 827 CG ARG 113 -11.232 6.924 13.244 1.00 0.00 ATOM 828 CD ARG 113 -10.061 7.336 14.121 1.00 0.00 ATOM 829 NE ARG 113 -9.202 6.203 14.453 1.00 0.00 ATOM 830 CZ ARG 113 -8.004 6.314 15.018 1.00 0.00 ATOM 831 NH1 ARG 113 -7.293 5.227 15.284 1.00 0.00 ATOM 832 NH2 ARG 113 -7.521 7.512 15.318 1.00 0.00 ATOM 833 O ARG 113 -14.909 9.245 12.798 1.00 0.00 ATOM 834 C ARG 113 -14.159 8.991 11.855 1.00 0.00 ATOM 835 N ARG 114 -14.046 9.743 10.758 1.00 0.00 ATOM 836 CA ARG 114 -14.731 11.004 10.581 1.00 0.00 ATOM 837 CB ARG 114 -13.757 12.079 10.093 1.00 0.00 ATOM 838 CG ARG 114 -12.643 12.398 11.076 1.00 0.00 ATOM 839 CD ARG 114 -11.643 13.375 10.478 1.00 0.00 ATOM 840 NE ARG 114 -10.579 13.714 11.421 1.00 0.00 ATOM 841 CZ ARG 114 -9.514 14.448 11.114 1.00 0.00 ATOM 842 NH1 ARG 114 -8.597 14.705 12.036 1.00 0.00 ATOM 843 NH2 ARG 114 -9.370 14.923 9.884 1.00 0.00 ATOM 844 O ARG 114 -16.641 11.936 9.495 1.00 0.00 ATOM 845 C ARG 114 -15.876 10.975 9.566 1.00 0.00 TER END