PFRMAT TS TARGET T0214 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 is try1-opt2, the result of a fully automatic prediction. REMARK 6 REMARK 6 T0214 model 3 Thu Aug 12 17:37:26 2004 MODEL 3 PARENT 1t62_A 1r53_A 1jn3_A 1dm9_A 1khi_A REMARK 7 REMARK 7 ALLPARENTS 1t62_A 1r53_A 1jn3_A 1dm9_A 1khi_A 1huz_A 1bpe REMARK 7 ALLPARENTS 1khi_A 1o5u_A 1fjg_Q 1uxx_X 1gmm_A 1jny_A 1o5u_A REMARK 7 ALLPARENTS 1i18_A 1p9k_A 1r6x_A 1pya_B 1g8f_A 1ojg_A 1f60_A REMARK 7 ALLPARENTS 1fjg_D 1e0t_A 1liu_A 1uhe_A 1r13_A ATOM 1 N MET 1 -5.381 17.818 -2.143 1.00 0.00 ATOM 2 CA MET 1 -6.193 16.618 -1.799 1.00 0.00 ATOM 3 CB MET 1 -5.320 15.362 -1.797 1.00 0.00 ATOM 4 CG MET 1 -4.818 14.953 -3.173 1.00 0.00 ATOM 5 SD MET 1 -3.739 13.509 -3.119 1.00 0.00 ATOM 6 CE MET 1 -4.935 12.202 -2.862 1.00 0.00 ATOM 7 O MET 1 -6.230 17.380 0.476 1.00 0.00 ATOM 8 C MET 1 -6.819 16.768 -0.418 1.00 0.00 ATOM 9 N GLU 2 -7.963 16.120 -0.220 1.00 0.00 ATOM 10 CA GLU 2 -8.631 16.172 1.075 1.00 0.00 ATOM 11 CB GLU 2 -10.001 15.490 1.027 1.00 0.00 ATOM 12 CG GLU 2 -10.669 15.419 2.402 1.00 0.00 ATOM 13 CD GLU 2 -12.183 15.471 2.339 1.00 0.00 ATOM 14 OE1 GLU 2 -12.714 16.312 1.583 1.00 0.00 ATOM 15 OE2 GLU 2 -12.843 14.687 3.056 1.00 0.00 ATOM 16 O GLU 2 -7.677 16.026 3.269 1.00 0.00 ATOM 17 C GLU 2 -7.774 15.518 2.153 1.00 0.00 ATOM 18 N TRP 3 -7.159 14.389 1.838 1.00 0.00 ATOM 19 CA TRP 3 -6.308 13.698 2.803 1.00 0.00 ATOM 20 CB TRP 3 -5.787 12.398 2.188 1.00 0.00 ATOM 21 CG TRP 3 -5.037 11.493 3.131 1.00 0.00 ATOM 22 CD1 TRP 3 -5.565 10.512 3.926 1.00 0.00 ATOM 23 CD2 TRP 3 -3.620 11.453 3.336 1.00 0.00 ATOM 24 CE2 TRP 3 -3.357 10.416 4.257 1.00 0.00 ATOM 25 CE3 TRP 3 -2.546 12.193 2.826 1.00 0.00 ATOM 26 NE1 TRP 3 -4.559 9.856 4.603 1.00 0.00 ATOM 27 CZ2 TRP 3 -2.063 10.098 4.679 1.00 0.00 ATOM 28 CZ3 TRP 3 -1.259 11.875 3.244 1.00 0.00 ATOM 29 CH2 TRP 3 -1.028 10.837 4.161 1.00 0.00 ATOM 30 O TRP 3 -4.829 14.855 4.317 1.00 0.00 ATOM 31 C TRP 3 -5.122 14.605 3.146 1.00 0.00 ATOM 32 N GLU 4 -4.527 15.202 2.120 1.00 0.00 ATOM 33 CA GLU 4 -3.378 16.083 2.338 1.00 0.00 ATOM 34 CB GLU 4 -2.780 16.523 1.000 1.00 0.00 ATOM 35 CG GLU 4 -2.075 15.411 0.240 1.00 0.00 ATOM 36 CD GLU 4 -1.604 15.851 -1.132 1.00 0.00 ATOM 37 OE1 GLU 4 -1.891 17.004 -1.517 1.00 0.00 ATOM 38 OE2 GLU 4 -0.948 15.044 -1.822 1.00 0.00 ATOM 39 O GLU 4 -2.904 17.981 3.707 1.00 0.00 ATOM 40 C GLU 4 -3.770 17.342 3.112 1.00 0.00 ATOM 41 N MET 5 -4.973 17.864 2.814 1.00 0.00 ATOM 42 CA MET 5 -5.437 19.052 3.528 1.00 0.00 ATOM 43 CB MET 5 -6.437 19.823 2.670 1.00 0.00 ATOM 44 CG MET 5 -5.825 20.284 1.358 1.00 0.00 ATOM 45 SD MET 5 -4.270 21.188 1.560 1.00 0.00 ATOM 46 CE MET 5 -4.884 22.840 1.881 1.00 0.00 ATOM 47 O MET 5 -6.704 17.598 4.946 1.00 0.00 ATOM 48 C MET 5 -6.046 18.626 4.852 1.00 0.00 ATOM 49 N GLY 6 -5.639 19.347 5.887 1.00 0.00 ATOM 50 CA GLY 6 -6.161 19.096 7.233 1.00 0.00 ATOM 51 O GLY 6 -5.670 17.825 9.241 1.00 0.00 ATOM 52 C GLY 6 -5.321 18.140 8.065 1.00 0.00 ATOM 53 N LEU 7 -4.337 17.475 7.448 1.00 0.00 ATOM 54 CA LEU 7 -3.367 16.672 8.179 1.00 0.00 ATOM 55 CB LEU 7 -2.466 15.904 7.178 1.00 0.00 ATOM 56 CG LEU 7 -2.930 14.892 6.167 1.00 0.00 ATOM 57 CD1 LEU 7 -1.813 14.650 5.145 1.00 0.00 ATOM 58 CD2 LEU 7 -3.196 13.554 6.861 1.00 0.00 ATOM 59 O LEU 7 -2.120 18.558 8.974 1.00 0.00 ATOM 60 C LEU 7 -2.585 17.450 9.226 1.00 0.00 ATOM 61 N GLN 8 -2.508 16.882 10.420 1.00 0.00 ATOM 62 CA GLN 8 -1.778 17.482 11.530 1.00 0.00 ATOM 63 CB GLN 8 -2.625 18.560 12.208 1.00 0.00 ATOM 64 CG GLN 8 -3.906 18.038 12.837 1.00 0.00 ATOM 65 CD GLN 8 -4.768 19.147 13.408 1.00 0.00 ATOM 66 OE1 GLN 8 -5.507 19.808 12.680 1.00 0.00 ATOM 67 NE2 GLN 8 -4.677 19.352 14.718 1.00 0.00 ATOM 68 O GLN 8 -1.726 15.201 12.246 1.00 0.00 ATOM 69 C GLN 8 -1.458 16.366 12.525 1.00 0.00 ATOM 70 N GLU 9 -0.723 16.705 13.600 1.00 0.00 ATOM 71 CA GLU 9 -0.380 15.717 14.596 1.00 0.00 ATOM 72 CB GLU 9 0.461 16.346 15.707 1.00 0.00 ATOM 73 CG GLU 9 0.908 15.363 16.780 1.00 0.00 ATOM 74 CD GLU 9 1.766 16.015 17.845 1.00 0.00 ATOM 75 OE1 GLU 9 2.023 17.233 17.739 1.00 0.00 ATOM 76 OE2 GLU 9 2.182 15.309 18.787 1.00 0.00 ATOM 77 O GLU 9 -1.624 13.913 15.566 1.00 0.00 ATOM 78 C GLU 9 -1.614 15.096 15.250 1.00 0.00 ATOM 79 N GLU 10 -2.570 15.941 15.619 1.00 0.00 ATOM 80 CA GLU 10 -3.802 15.438 16.196 1.00 0.00 ATOM 81 CB GLU 10 -4.745 16.593 16.535 1.00 0.00 ATOM 82 CG GLU 10 -4.289 17.442 17.710 1.00 0.00 ATOM 83 CD GLU 10 -5.181 18.647 17.939 1.00 0.00 ATOM 84 OE1 GLU 10 -6.112 18.857 17.133 1.00 0.00 ATOM 85 OE2 GLU 10 -4.949 19.379 18.924 1.00 0.00 ATOM 86 O GLU 10 -5.067 13.462 15.657 1.00 0.00 ATOM 87 C GLU 10 -4.540 14.493 15.225 1.00 0.00 ATOM 88 N PHE 11 -4.588 14.858 13.952 1.00 0.00 ATOM 89 CA PHE 11 -5.206 14.031 12.950 1.00 0.00 ATOM 90 CB PHE 11 -4.587 14.590 11.492 1.00 0.00 ATOM 91 CG PHE 11 -5.348 14.255 10.249 1.00 0.00 ATOM 92 CD1 PHE 11 -6.369 15.051 9.767 1.00 0.00 ATOM 93 CD2 PHE 11 -5.046 13.095 9.563 1.00 0.00 ATOM 94 CE1 PHE 11 -7.037 14.730 8.595 1.00 0.00 ATOM 95 CE2 PHE 11 -5.705 12.739 8.401 1.00 0.00 ATOM 96 CZ PHE 11 -6.745 13.532 7.973 1.00 0.00 ATOM 97 O PHE 11 -5.168 11.659 12.622 1.00 0.00 ATOM 98 C PHE 11 -4.502 12.669 12.830 1.00 0.00 ATOM 99 N LEU 12 -3.171 12.667 12.713 1.00 0.00 ATOM 100 CA LEU 12 -2.419 11.419 12.646 1.00 0.00 ATOM 101 CB LEU 12 -0.925 11.711 12.490 1.00 0.00 ATOM 102 CG LEU 12 -0.492 12.203 11.104 1.00 0.00 ATOM 103 CD1 LEU 12 0.912 12.765 11.166 1.00 0.00 ATOM 104 CD2 LEU 12 -0.569 11.051 10.111 1.00 0.00 ATOM 105 O LEU 12 -2.855 9.385 13.843 1.00 0.00 ATOM 106 C LEU 12 -2.666 10.600 13.906 1.00 0.00 ATOM 107 N GLU 13 -2.676 11.272 15.052 1.00 0.00 ATOM 108 CA GLU 13 -2.914 10.598 16.320 1.00 0.00 ATOM 109 CB GLU 13 -2.777 11.589 17.481 1.00 0.00 ATOM 110 CG GLU 13 -3.313 11.060 18.801 1.00 0.00 ATOM 111 CD GLU 13 -2.911 11.914 19.983 1.00 0.00 ATOM 112 OE1 GLU 13 -2.984 13.157 19.877 1.00 0.00 ATOM 113 OE2 GLU 13 -2.531 11.338 21.024 1.00 0.00 ATOM 114 O GLU 13 -4.433 8.785 16.731 1.00 0.00 ATOM 115 C GLU 13 -4.296 9.947 16.349 1.00 0.00 ATOM 116 N LEU 14 -5.308 10.678 15.901 1.00 0.00 ATOM 117 CA LEU 14 -6.673 10.145 15.886 1.00 0.00 ATOM 118 CB LEU 14 -7.689 11.252 15.572 1.00 0.00 ATOM 119 CG LEU 14 -7.916 12.267 16.699 1.00 0.00 ATOM 120 CD1 LEU 14 -8.693 13.463 16.170 1.00 0.00 ATOM 121 CD2 LEU 14 -8.617 11.614 17.884 1.00 0.00 ATOM 122 O LEU 14 -7.477 8.011 15.187 1.00 0.00 ATOM 123 C LEU 14 -6.811 8.994 14.890 1.00 0.00 ATOM 124 N ILE 15 -6.192 9.107 13.723 1.00 0.00 ATOM 125 CA ILE 15 -6.242 8.034 12.742 1.00 0.00 ATOM 126 CB ILE 15 -5.515 8.461 11.438 1.00 0.00 ATOM 127 CG1 ILE 15 -6.334 9.530 10.722 1.00 0.00 ATOM 128 CG2 ILE 15 -5.302 7.287 10.510 1.00 0.00 ATOM 129 CD1 ILE 15 -5.624 10.124 9.535 1.00 0.00 ATOM 130 O ILE 15 -6.195 5.697 13.275 1.00 0.00 ATOM 131 C ILE 15 -5.592 6.777 13.316 1.00 0.00 ATOM 132 N LYS 16 -4.422 6.918 13.908 1.00 0.00 ATOM 133 CA LYS 16 -3.717 5.754 14.437 1.00 0.00 ATOM 134 CB LYS 16 -2.333 6.155 14.951 1.00 0.00 ATOM 135 CG LYS 16 -1.350 6.531 13.855 1.00 0.00 ATOM 136 CD LYS 16 0.003 6.911 14.434 1.00 0.00 ATOM 137 CE LYS 16 0.976 7.321 13.341 1.00 0.00 ATOM 138 NZ LYS 16 2.299 7.720 13.895 1.00 0.00 ATOM 139 O LYS 16 -4.637 3.875 15.605 1.00 0.00 ATOM 140 C LYS 16 -4.461 5.095 15.598 1.00 0.00 ATOM 141 N LEU 17 -5.074 5.902 16.458 1.00 0.00 ATOM 142 CA LEU 17 -5.808 5.357 17.595 1.00 0.00 ATOM 143 CB LEU 17 -6.243 6.478 18.541 1.00 0.00 ATOM 144 CG LEU 17 -5.125 7.184 19.312 1.00 0.00 ATOM 145 CD1 LEU 17 -5.672 8.383 20.072 1.00 0.00 ATOM 146 CD2 LEU 17 -4.486 6.236 20.316 1.00 0.00 ATOM 147 O LEU 17 -7.284 3.476 17.575 1.00 0.00 ATOM 148 C LEU 17 -7.066 4.609 17.149 1.00 0.00 ATOM 149 N ARG 18 -7.728 5.109 16.120 1.00 0.00 ATOM 150 CA ARG 18 -8.931 4.416 15.619 1.00 0.00 ATOM 151 CB ARG 18 -9.763 5.358 14.746 1.00 0.00 ATOM 152 CG ARG 18 -10.389 6.468 15.541 1.00 0.00 ATOM 153 CD ARG 18 -11.108 7.489 14.696 1.00 0.00 ATOM 154 NE ARG 18 -11.748 8.523 15.504 1.00 0.00 ATOM 155 CZ ARG 18 -11.936 9.768 15.109 1.00 0.00 ATOM 156 NH1 ARG 18 -11.506 10.169 13.911 1.00 0.00 ATOM 157 NH2 ARG 18 -12.540 10.618 15.925 1.00 0.00 ATOM 158 O ARG 18 -9.419 2.203 14.910 1.00 0.00 ATOM 159 C ARG 18 -8.630 3.118 14.887 1.00 0.00 ATOM 160 N LYS 19 -7.739 3.731 13.716 1.00 0.00 ATOM 161 CA LYS 19 -7.482 3.107 12.451 1.00 0.00 ATOM 162 CB LYS 19 -7.605 4.182 11.351 1.00 0.00 ATOM 163 CG LYS 19 -9.007 4.590 10.997 1.00 0.00 ATOM 164 CD LYS 19 -9.168 5.752 10.066 1.00 0.00 ATOM 165 CE LYS 19 -8.595 7.103 10.393 1.00 0.00 ATOM 166 NZ LYS 19 -8.272 7.885 9.148 1.00 0.00 ATOM 167 O LYS 19 -5.206 3.433 13.097 1.00 0.00 ATOM 168 C LYS 19 -5.988 2.975 12.266 1.00 0.00 ATOM 169 N LYS 20 -5.589 2.357 11.172 1.00 0.00 ATOM 170 CA LYS 20 -4.196 2.135 10.863 1.00 0.00 ATOM 171 CB LYS 20 -3.811 0.680 11.142 1.00 0.00 ATOM 172 CG LYS 20 -2.335 0.378 10.938 1.00 0.00 ATOM 173 CD LYS 20 -2.008 -1.056 11.318 1.00 0.00 ATOM 174 CE LYS 20 -0.530 -1.356 11.118 1.00 0.00 ATOM 175 NZ LYS 20 -0.196 -2.761 11.476 1.00 0.00 ATOM 176 O LYS 20 -4.905 2.945 8.793 1.00 0.00 ATOM 177 C LYS 20 -3.957 2.443 9.381 1.00 0.00 ATOM 178 N LYS 21 -2.831 3.016 9.033 1.00 0.00 ATOM 179 CA LYS 21 -2.635 3.268 7.625 1.00 0.00 ATOM 180 CB LYS 21 -2.033 4.657 7.407 1.00 0.00 ATOM 181 CG LYS 21 -2.967 5.802 7.762 1.00 0.00 ATOM 182 CD LYS 21 -2.281 7.147 7.595 1.00 0.00 ATOM 183 CE LYS 21 -3.199 8.290 7.999 1.00 0.00 ATOM 184 NZ LYS 21 -2.522 9.611 7.892 1.00 0.00 ATOM 185 O LYS 21 -0.859 1.661 7.716 1.00 0.00 ATOM 186 C LYS 21 -1.693 2.241 7.013 1.00 0.00 ATOM 187 N ILE 22 -2.130 1.705 5.890 1.00 0.00 ATOM 188 CA ILE 22 -1.372 0.681 5.217 1.00 0.00 ATOM 189 CB ILE 22 -2.237 -0.623 5.069 1.00 0.00 ATOM 190 CG1 ILE 22 -2.963 -1.006 6.343 1.00 0.00 ATOM 191 CG2 ILE 22 -1.344 -1.742 4.609 1.00 0.00 ATOM 192 CD1 ILE 22 -3.856 -2.229 6.223 1.00 0.00 ATOM 193 O ILE 22 -1.617 1.654 3.074 1.00 0.00 ATOM 194 C ILE 22 -0.847 1.189 3.903 1.00 0.00 ATOM 195 N GLU 23 0.465 1.134 3.738 1.00 0.00 ATOM 196 CA GLU 23 1.059 1.520 2.477 1.00 0.00 ATOM 197 CB GLU 23 2.003 2.736 2.669 1.00 0.00 ATOM 198 CG GLU 23 1.310 3.988 3.187 1.00 0.00 ATOM 199 CD GLU 23 2.253 5.163 3.318 1.00 0.00 ATOM 200 OE1 GLU 23 3.482 4.937 3.313 1.00 0.00 ATOM 201 OE2 GLU 23 1.768 6.310 3.432 1.00 0.00 ATOM 202 O GLU 23 2.287 -0.514 2.352 1.00 0.00 ATOM 203 C GLU 23 1.620 0.324 1.736 1.00 0.00 ATOM 204 N GLY 24 1.102 0.089 0.533 1.00 0.00 ATOM 205 CA GLY 24 1.611 -1.023 -0.239 1.00 0.00 ATOM 206 O GLY 24 1.785 0.189 -2.274 1.00 0.00 ATOM 207 C GLY 24 2.282 -0.619 -1.519 1.00 0.00 ATOM 208 N ARG 25 3.266 -1.401 -1.866 1.00 0.00 ATOM 209 CA ARG 25 3.940 -1.197 -3.104 1.00 0.00 ATOM 210 CB ARG 25 5.177 -0.930 -3.345 1.00 0.00 ATOM 211 CG ARG 25 5.296 0.597 -3.415 1.00 0.00 ATOM 212 CD ARG 25 5.096 1.058 -4.854 1.00 0.00 ATOM 213 NE ARG 25 6.306 0.831 -5.671 1.00 0.00 ATOM 214 CZ ARG 25 6.319 1.164 -6.965 1.00 0.00 ATOM 215 NH1 ARG 25 5.227 1.695 -7.513 1.00 0.00 ATOM 216 NH2 ARG 25 7.405 0.966 -7.699 1.00 0.00 ATOM 217 O ARG 25 3.276 -3.307 -3.957 1.00 0.00 ATOM 218 C ARG 25 3.229 -2.089 -4.091 1.00 0.00 ATOM 219 N LEU 26 2.348 -1.500 -4.877 1.00 0.00 ATOM 220 CA LEU 26 1.626 -2.323 -5.806 1.00 0.00 ATOM 221 CB LEU 26 0.233 -1.746 -6.064 1.00 0.00 ATOM 222 CG LEU 26 -0.690 -1.636 -4.849 1.00 0.00 ATOM 223 CD1 LEU 26 -2.003 -0.969 -5.230 1.00 0.00 ATOM 224 CD2 LEU 26 -1.002 -3.012 -4.284 1.00 0.00 ATOM 225 O LEU 26 3.329 -2.108 -7.335 1.00 0.00 ATOM 226 C LEU 26 2.193 -2.536 -7.194 1.00 0.00 ATOM 227 N TYR 27 1.893 -3.702 -7.790 1.00 0.00 ATOM 228 CA TYR 27 2.367 -4.023 -9.123 1.00 0.00 ATOM 229 CB TYR 27 1.749 -5.336 -9.611 1.00 0.00 ATOM 230 CG TYR 27 2.264 -6.560 -8.887 1.00 0.00 ATOM 231 CD1 TYR 27 1.477 -7.214 -7.948 1.00 0.00 ATOM 232 CD2 TYR 27 3.535 -7.057 -9.146 1.00 0.00 ATOM 233 CE1 TYR 27 1.938 -8.334 -7.282 1.00 0.00 ATOM 234 CE2 TYR 27 4.012 -8.175 -8.490 1.00 0.00 ATOM 235 CZ TYR 27 3.201 -8.813 -7.552 1.00 0.00 ATOM 236 OH TYR 27 3.664 -9.927 -6.891 1.00 0.00 ATOM 237 O TYR 27 1.144 -2.122 -9.874 1.00 0.00 ATOM 238 C TYR 27 2.017 -2.954 -10.151 1.00 0.00 ATOM 239 N ASP 28 3.067 -2.601 -10.863 1.00 0.00 ATOM 240 CA ASP 28 3.011 -1.579 -11.858 1.00 0.00 ATOM 241 CB ASP 28 4.269 -1.609 -12.727 1.00 0.00 ATOM 242 CG ASP 28 5.495 -1.097 -11.998 1.00 0.00 ATOM 243 OD1 ASP 28 5.335 -0.512 -10.906 1.00 0.00 ATOM 244 OD2 ASP 28 6.615 -1.280 -12.518 1.00 0.00 ATOM 245 O ASP 28 1.149 -0.696 -13.083 1.00 0.00 ATOM 246 C ASP 28 1.829 -1.690 -12.810 1.00 0.00 ATOM 247 N GLU 29 1.470 -2.888 -13.246 1.00 0.00 ATOM 248 CA GLU 29 0.333 -2.944 -14.139 1.00 0.00 ATOM 249 CB GLU 29 0.148 -4.363 -14.680 1.00 0.00 ATOM 250 CG GLU 29 1.248 -4.816 -15.623 1.00 0.00 ATOM 251 CD GLU 29 1.090 -6.261 -16.052 1.00 0.00 ATOM 252 OE1 GLU 29 0.132 -6.916 -15.593 1.00 0.00 ATOM 253 OE2 GLU 29 1.925 -6.740 -16.850 1.00 0.00 ATOM 254 O GLU 29 -1.983 -2.355 -14.104 1.00 0.00 ATOM 255 C GLU 29 -0.959 -2.548 -13.461 1.00 0.00 ATOM 256 N LYS 30 -0.947 -2.480 -12.140 1.00 0.00 ATOM 257 CA LYS 30 -2.171 -2.183 -11.429 1.00 0.00 ATOM 258 CB LYS 30 -2.109 -2.732 -10.002 1.00 0.00 ATOM 259 CG LYS 30 -2.027 -4.249 -9.925 1.00 0.00 ATOM 260 CD LYS 30 -3.317 -4.895 -10.402 1.00 0.00 ATOM 261 CE LYS 30 -3.272 -6.406 -10.234 1.00 0.00 ATOM 262 NZ LYS 30 -4.536 -7.051 -10.683 1.00 0.00 ATOM 263 O LYS 30 -3.494 -0.329 -10.653 1.00 0.00 ATOM 264 C LYS 30 -2.501 -0.702 -11.291 1.00 0.00 ATOM 265 N ARG 31 -1.541 0.123 -11.712 1.00 0.00 ATOM 266 CA ARG 31 -1.636 1.570 -11.609 1.00 0.00 ATOM 267 CB ARG 31 -0.555 2.324 -12.346 1.00 0.00 ATOM 268 CG ARG 31 0.775 2.226 -11.579 1.00 0.00 ATOM 269 CD ARG 31 1.716 3.328 -11.993 1.00 0.00 ATOM 270 NE ARG 31 1.903 3.318 -13.442 1.00 0.00 ATOM 271 CZ ARG 31 2.789 2.540 -14.067 1.00 0.00 ATOM 272 NH1 ARG 31 3.631 1.737 -13.454 1.00 0.00 ATOM 273 NH2 ARG 31 2.863 2.598 -15.401 1.00 0.00 ATOM 274 O ARG 31 -3.702 2.839 -11.753 1.00 0.00 ATOM 275 C ARG 31 -2.864 2.138 -12.326 1.00 0.00 ATOM 276 N ARG 32 -3.032 1.686 -13.569 1.00 0.00 ATOM 277 CA ARG 32 -4.201 2.085 -14.345 1.00 0.00 ATOM 278 CB ARG 32 -4.056 1.589 -15.797 1.00 0.00 ATOM 279 CG ARG 32 -2.802 2.154 -16.498 1.00 0.00 ATOM 280 CD ARG 32 -2.961 2.045 -17.999 1.00 0.00 ATOM 281 NE ARG 32 -3.064 0.683 -18.510 1.00 0.00 ATOM 282 CZ ARG 32 -2.083 -0.186 -18.743 1.00 0.00 ATOM 283 NH1 ARG 32 -0.813 0.106 -18.519 1.00 0.00 ATOM 284 NH2 ARG 32 -2.352 -1.380 -19.207 1.00 0.00 ATOM 285 O ARG 32 -6.508 2.251 -13.753 1.00 0.00 ATOM 286 C ARG 32 -5.483 1.579 -13.701 1.00 0.00 ATOM 287 N GLN 33 -5.438 0.369 -13.155 1.00 0.00 ATOM 288 CA GLN 33 -6.611 -0.211 -12.512 1.00 0.00 ATOM 289 CB GLN 33 -6.331 -1.647 -12.074 1.00 0.00 ATOM 290 CG GLN 33 -5.807 -2.546 -13.181 1.00 0.00 ATOM 291 CD GLN 33 -5.740 -4.002 -12.757 1.00 0.00 ATOM 292 OE1 GLN 33 -5.465 -4.312 -11.598 1.00 0.00 ATOM 293 NE2 GLN 33 -5.979 -4.903 -13.701 1.00 0.00 ATOM 294 O GLN 33 -8.194 0.859 -11.068 1.00 0.00 ATOM 295 C GLN 33 -7.013 0.628 -11.304 1.00 0.00 ATOM 296 N ILE 34 -6.024 1.087 -10.541 1.00 0.00 ATOM 297 CA ILE 34 -6.299 1.917 -9.377 1.00 0.00 ATOM 298 CB ILE 34 -4.919 2.179 -8.592 1.00 0.00 ATOM 299 CG1 ILE 34 -4.459 0.906 -7.871 1.00 0.00 ATOM 300 CG2 ILE 34 -5.082 3.353 -7.610 1.00 0.00 ATOM 301 CD1 ILE 34 -3.029 0.940 -7.354 1.00 0.00 ATOM 302 O ILE 34 -7.830 3.748 -9.160 1.00 0.00 ATOM 303 C ILE 34 -6.953 3.221 -9.835 1.00 0.00 ATOM 304 N LYS 35 -6.404 3.821 -10.887 1.00 0.00 ATOM 305 CA LYS 35 -6.955 5.065 -11.414 1.00 0.00 ATOM 306 CB LYS 35 -6.115 5.560 -12.594 1.00 0.00 ATOM 307 CG LYS 35 -4.757 6.131 -12.203 1.00 0.00 ATOM 308 CD LYS 35 -3.926 6.463 -13.439 1.00 0.00 ATOM 309 CE LYS 35 -2.648 7.186 -13.077 1.00 0.00 ATOM 310 NZ LYS 35 -1.828 7.472 -14.292 1.00 0.00 ATOM 311 O LYS 35 -9.307 5.705 -11.662 1.00 0.00 ATOM 312 C LYS 35 -8.412 4.879 -11.845 1.00 0.00 ATOM 313 N PRO 36 -11.336 5.493 -8.938 1.00 0.00 ATOM 314 CA PRO 36 -11.618 5.416 -7.518 1.00 0.00 ATOM 315 CB PRO 36 -11.904 6.865 -7.120 1.00 0.00 ATOM 316 CG PRO 36 -11.175 7.683 -8.132 1.00 0.00 ATOM 317 CD PRO 36 -11.299 6.941 -9.434 1.00 0.00 ATOM 318 O PRO 36 -13.882 4.716 -7.889 1.00 0.00 ATOM 319 C PRO 36 -12.820 4.506 -7.310 1.00 0.00 ATOM 320 N GLY 37 -12.694 3.561 -6.388 1.00 0.00 ATOM 321 CA GLY 37 -13.758 2.610 -6.161 1.00 0.00 ATOM 322 O GLY 37 -14.118 0.269 -6.327 1.00 0.00 ATOM 323 C GLY 37 -13.513 1.244 -6.747 1.00 0.00 ATOM 324 N ASP 38 -12.722 1.182 -7.803 1.00 0.00 ATOM 325 CA ASP 38 -12.417 -0.083 -8.437 1.00 0.00 ATOM 326 CB ASP 38 -11.507 0.121 -9.645 1.00 0.00 ATOM 327 CG ASP 38 -12.179 0.856 -10.784 1.00 0.00 ATOM 328 OD1 ASP 38 -13.352 1.235 -10.648 1.00 0.00 ATOM 329 OD2 ASP 38 -11.514 1.056 -11.818 1.00 0.00 ATOM 330 O ASP 38 -10.929 -0.469 -6.621 1.00 0.00 ATOM 331 C ASP 38 -11.692 -0.968 -7.444 1.00 0.00 ATOM 332 N VAL 39 -11.726 -2.263 -7.698 1.00 0.00 ATOM 333 CA VAL 39 -11.021 -3.226 -6.852 1.00 0.00 ATOM 334 CB VAL 39 -11.871 -4.486 -6.599 1.00 0.00 ATOM 335 CG1 VAL 39 -11.083 -5.508 -5.797 1.00 0.00 ATOM 336 CG2 VAL 39 -13.129 -4.130 -5.822 1.00 0.00 ATOM 337 O VAL 39 -9.842 -4.266 -8.584 1.00 0.00 ATOM 338 C VAL 39 -9.703 -3.685 -7.499 1.00 0.00 ATOM 339 N ILE 40 -8.738 -4.096 -6.681 1.00 0.00 ATOM 340 CA ILE 40 -7.474 -4.612 -7.173 1.00 0.00 ATOM 341 CB ILE 40 -6.369 -3.540 -7.125 1.00 0.00 ATOM 342 CG1 ILE 40 -6.764 -2.329 -7.973 1.00 0.00 ATOM 343 CG2 ILE 40 -5.061 -4.099 -7.664 1.00 0.00 ATOM 344 CD1 ILE 40 -5.790 -1.176 -7.881 1.00 0.00 ATOM 345 O ILE 40 -6.742 -5.566 -5.119 1.00 0.00 ATOM 346 C ILE 40 -7.108 -5.770 -6.279 1.00 0.00 ATOM 347 N SER 41 -7.143 -6.978 -6.835 1.00 0.00 ATOM 348 CA SER 41 -6.888 -8.169 -6.064 1.00 0.00 ATOM 349 CB SER 41 -7.716 -9.340 -6.596 1.00 0.00 ATOM 350 OG SER 41 -9.101 -9.113 -6.402 1.00 0.00 ATOM 351 O SER 41 -4.877 -8.402 -7.281 1.00 0.00 ATOM 352 C SER 41 -5.429 -8.480 -6.184 1.00 0.00 ATOM 353 N PHE 42 -4.825 -8.963 -5.105 1.00 0.00 ATOM 354 CA PHE 42 -3.405 -9.281 -5.170 1.00 0.00 ATOM 355 CB PHE 42 -2.587 -8.239 -4.402 1.00 0.00 ATOM 356 CG PHE 42 -2.702 -6.849 -4.958 1.00 0.00 ATOM 357 CD1 PHE 42 -3.652 -5.969 -4.471 1.00 0.00 ATOM 358 CD2 PHE 42 -1.860 -6.421 -5.970 1.00 0.00 ATOM 359 CE1 PHE 42 -3.758 -4.689 -4.981 1.00 0.00 ATOM 360 CE2 PHE 42 -1.965 -5.142 -6.482 1.00 0.00 ATOM 361 CZ PHE 42 -2.909 -4.277 -5.992 1.00 0.00 ATOM 362 O PHE 42 -3.981 -11.115 -3.925 1.00 0.00 ATOM 363 C PHE 42 -3.093 -10.610 -4.584 1.00 0.00 ATOM 364 N GLU 43 -2.256 -11.361 -5.298 1.00 0.00 ATOM 365 CA GLU 43 -1.830 -12.691 -4.876 1.00 0.00 ATOM 366 CB GLU 43 -1.211 -12.637 -3.478 1.00 0.00 ATOM 367 CG GLU 43 0.084 -11.844 -3.402 1.00 0.00 ATOM 368 CD GLU 43 0.649 -11.784 -1.997 1.00 0.00 ATOM 369 OE1 GLU 43 0.033 -12.372 -1.084 1.00 0.00 ATOM 370 OE2 GLU 43 1.707 -11.149 -1.809 1.00 0.00 ATOM 371 O GLU 43 -3.270 -14.176 -3.742 1.00 0.00 ATOM 372 C GLU 43 -2.983 -13.686 -4.825 1.00 0.00 ATOM 373 N GLY 44 -3.397 -14.194 -5.978 1.00 0.00 ATOM 374 CA GLY 44 -4.362 -15.263 -5.982 1.00 0.00 ATOM 375 O GLY 44 -6.660 -15.499 -5.419 1.00 0.00 ATOM 376 C GLY 44 -5.680 -14.745 -5.430 1.00 0.00 ATOM 377 N GLY 45 -5.875 -13.450 -5.547 1.00 0.00 ATOM 378 CA GLY 45 -7.069 -12.810 -5.035 1.00 0.00 ATOM 379 O GLY 45 -8.068 -12.077 -3.023 1.00 0.00 ATOM 380 C GLY 45 -7.206 -12.823 -3.522 1.00 0.00 ATOM 381 N LYS 46 -6.104 -13.069 -2.810 1.00 0.00 ATOM 382 CA LYS 46 -6.195 -13.175 -1.366 1.00 0.00 ATOM 383 CB LYS 46 -5.024 -13.991 -0.813 1.00 0.00 ATOM 384 CG LYS 46 -5.044 -15.456 -1.217 1.00 0.00 ATOM 385 CD LYS 46 -3.849 -16.202 -0.646 1.00 0.00 ATOM 386 CE LYS 46 -3.883 -17.673 -1.027 1.00 0.00 ATOM 387 NZ LYS 46 -2.729 -18.421 -0.455 1.00 0.00 ATOM 388 O LYS 46 -6.865 -11.568 0.185 1.00 0.00 ATOM 389 C LYS 46 -6.162 -11.802 -0.760 1.00 0.00 ATOM 390 N LEU 47 -5.574 -10.849 -1.464 1.00 0.00 ATOM 391 CA LEU 47 -5.511 -9.448 -1.034 1.00 0.00 ATOM 392 CB LEU 47 -4.083 -8.912 -1.166 1.00 0.00 ATOM 393 CG LEU 47 -3.010 -9.635 -0.351 1.00 0.00 ATOM 394 CD1 LEU 47 -1.634 -9.058 -0.642 1.00 0.00 ATOM 395 CD2 LEU 47 -3.279 -9.494 1.140 1.00 0.00 ATOM 396 O LEU 47 -6.638 -8.812 -3.075 1.00 0.00 ATOM 397 C LEU 47 -6.429 -8.571 -1.886 1.00 0.00 ATOM 398 N LYS 48 -7.075 -7.631 -1.228 1.00 0.00 ATOM 399 CA LYS 48 -8.106 -6.845 -1.867 1.00 0.00 ATOM 400 CB LYS 48 -9.485 -7.235 -1.334 1.00 0.00 ATOM 401 CG LYS 48 -10.638 -6.517 -2.014 1.00 0.00 ATOM 402 CD LYS 48 -11.981 -7.036 -1.523 1.00 0.00 ATOM 403 CE LYS 48 -13.133 -6.364 -2.248 1.00 0.00 ATOM 404 NZ LYS 48 -14.451 -6.918 -1.832 1.00 0.00 ATOM 405 O LYS 48 -7.885 -4.877 -0.507 1.00 0.00 ATOM 406 C LYS 48 -7.950 -5.337 -1.638 1.00 0.00 ATOM 407 N VAL 49 -7.868 -4.574 -2.723 1.00 0.00 ATOM 408 CA VAL 49 -7.673 -3.139 -2.627 1.00 0.00 ATOM 409 CB VAL 49 -6.445 -2.724 -3.437 1.00 0.00 ATOM 410 CG1 VAL 49 -6.349 -1.206 -3.512 1.00 0.00 ATOM 411 CG2 VAL 49 -5.171 -3.300 -2.762 1.00 0.00 ATOM 412 O VAL 49 -9.499 -3.084 -4.113 1.00 0.00 ATOM 413 C VAL 49 -8.872 -2.443 -3.273 1.00 0.00 ATOM 414 N ARG 50 -9.483 -1.507 -2.554 1.00 0.00 ATOM 415 CA ARG 50 -10.591 -0.689 -3.079 1.00 0.00 ATOM 416 CB ARG 50 -11.818 -0.710 -2.150 1.00 0.00 ATOM 417 CG ARG 50 -12.578 -2.018 -2.092 1.00 0.00 ATOM 418 CD ARG 50 -13.835 -1.849 -1.239 1.00 0.00 ATOM 419 NE ARG 50 -13.546 -1.624 0.179 1.00 0.00 ATOM 420 CZ ARG 50 -13.451 -2.591 1.087 1.00 0.00 ATOM 421 NH1 ARG 50 -13.624 -3.861 0.737 1.00 0.00 ATOM 422 NH2 ARG 50 -13.191 -2.290 2.359 1.00 0.00 ATOM 423 O ARG 50 -9.206 1.091 -2.353 1.00 0.00 ATOM 424 C ARG 50 -10.089 0.751 -3.147 1.00 0.00 ATOM 425 N VAL 51 -9.472 0.735 -4.915 1.00 0.00 ATOM 426 CA VAL 51 -8.833 2.058 -4.803 1.00 0.00 ATOM 427 CB VAL 51 -8.371 2.580 -6.175 1.00 0.00 ATOM 428 CG1 VAL 51 -7.749 3.961 -6.038 1.00 0.00 ATOM 429 CG2 VAL 51 -7.335 1.644 -6.779 1.00 0.00 ATOM 430 O VAL 51 -10.376 3.847 -4.996 1.00 0.00 ATOM 431 C VAL 51 -9.809 3.061 -4.222 1.00 0.00 ATOM 432 N LYS 52 -9.567 3.470 -2.981 1.00 0.00 ATOM 433 CA LYS 52 -10.506 4.358 -2.319 1.00 0.00 ATOM 434 CB LYS 52 -11.092 3.543 -1.091 1.00 0.00 ATOM 435 CG LYS 52 -11.958 2.360 -1.396 1.00 0.00 ATOM 436 CD LYS 52 -12.637 1.683 -0.233 1.00 0.00 ATOM 437 CE LYS 52 -11.706 1.435 0.924 1.00 0.00 ATOM 438 NZ LYS 52 -12.333 0.565 1.992 1.00 0.00 ATOM 439 O LYS 52 -10.680 6.706 -2.129 1.00 0.00 ATOM 440 C LYS 52 -9.919 5.746 -2.239 1.00 0.00 ATOM 441 N ALA 53 -8.662 5.862 -2.648 1.00 0.00 ATOM 442 CA ALA 53 -7.994 7.145 -2.741 1.00 0.00 ATOM 443 CB ALA 53 -7.434 7.551 -1.387 1.00 0.00 ATOM 444 O ALA 53 -6.307 5.972 -3.966 1.00 0.00 ATOM 445 C ALA 53 -6.854 7.043 -3.740 1.00 0.00 ATOM 446 N ILE 54 -6.524 8.158 -4.366 1.00 0.00 ATOM 447 CA ILE 54 -5.445 8.189 -5.352 1.00 0.00 ATOM 448 CB ILE 54 -5.362 9.558 -6.048 1.00 0.00 ATOM 449 CG1 ILE 54 -6.630 9.798 -6.871 1.00 0.00 ATOM 450 CG2 ILE 54 -4.113 9.621 -6.925 1.00 0.00 ATOM 451 CD1 ILE 54 -6.724 11.202 -7.452 1.00 0.00 ATOM 452 O ILE 54 -3.555 6.827 -4.928 1.00 0.00 ATOM 453 C ILE 54 -4.140 7.870 -4.629 1.00 0.00 ATOM 454 N ARG 55 -4.000 8.435 -3.428 1.00 0.00 ATOM 455 CA ARG 55 -2.829 8.147 -2.575 1.00 0.00 ATOM 456 CB ARG 55 -2.161 9.445 -2.143 1.00 0.00 ATOM 457 CG ARG 55 -1.695 10.310 -3.314 1.00 0.00 ATOM 458 CD ARG 55 -0.777 11.445 -2.863 1.00 0.00 ATOM 459 NE ARG 55 -0.454 12.368 -3.952 1.00 0.00 ATOM 460 CZ ARG 55 0.088 12.003 -5.113 1.00 0.00 ATOM 461 NH1 ARG 55 0.371 10.727 -5.344 1.00 0.00 ATOM 462 NH2 ARG 55 0.345 12.915 -6.045 1.00 0.00 ATOM 463 O ARG 55 -4.385 7.468 -0.841 1.00 0.00 ATOM 464 C ARG 55 -3.330 7.274 -1.415 1.00 0.00 ATOM 465 N VAL 56 -2.603 5.615 -1.255 1.00 0.00 ATOM 466 CA VAL 56 -3.027 5.558 0.142 1.00 0.00 ATOM 467 CB VAL 56 -2.780 6.941 0.847 1.00 0.00 ATOM 468 CG1 VAL 56 -3.268 6.918 2.294 1.00 0.00 ATOM 469 CG2 VAL 56 -1.308 7.330 0.795 1.00 0.00 ATOM 470 O VAL 56 -5.349 5.347 -0.433 1.00 0.00 ATOM 471 C VAL 56 -4.472 5.171 0.414 1.00 0.00 ATOM 472 N TYR 57 -4.673 4.612 1.621 1.00 0.00 ATOM 473 CA TYR 57 -5.956 4.122 2.115 1.00 0.00 ATOM 474 CB TYR 57 -6.340 2.824 1.327 1.00 0.00 ATOM 475 CG TYR 57 -5.523 1.609 1.713 1.00 0.00 ATOM 476 CD1 TYR 57 -6.002 0.683 2.648 1.00 0.00 ATOM 477 CD2 TYR 57 -4.294 1.353 1.107 1.00 0.00 ATOM 478 CE1 TYR 57 -5.276 -0.469 2.957 1.00 0.00 ATOM 479 CE2 TYR 57 -3.566 0.209 1.413 1.00 0.00 ATOM 480 CZ TYR 57 -4.063 -0.697 2.336 1.00 0.00 ATOM 481 OH TYR 57 -3.335 -1.831 2.629 1.00 0.00 ATOM 482 O TYR 57 -5.094 3.664 4.301 1.00 0.00 ATOM 483 C TYR 57 -6.025 4.095 3.633 1.00 0.00 ATOM 484 N ASN 58 -7.204 4.313 4.184 1.00 0.00 ATOM 485 CA ASN 58 -7.326 4.248 5.634 1.00 0.00 ATOM 486 CB ASN 58 -7.968 5.527 6.175 1.00 0.00 ATOM 487 CG ASN 58 -7.091 6.747 5.979 1.00 0.00 ATOM 488 ND2 ASN 58 -7.718 7.912 5.857 1.00 0.00 ATOM 489 OD1 ASN 58 -5.865 6.642 5.939 1.00 0.00 ATOM 490 O ASN 58 -9.112 2.683 5.382 1.00 0.00 ATOM 491 C ASN 58 -8.182 3.079 6.069 1.00 0.00 ATOM 492 N SER 59 -7.726 2.386 7.083 1.00 0.00 ATOM 493 CA SER 59 -8.466 1.235 7.534 1.00 0.00 ATOM 494 CB SER 59 -7.574 -0.007 7.543 1.00 0.00 ATOM 495 OG SER 59 -8.274 -1.135 8.035 1.00 0.00 ATOM 496 O SER 59 -8.298 1.709 9.894 1.00 0.00 ATOM 497 C SER 59 -9.011 1.415 8.941 1.00 0.00 ATOM 498 N PHE 60 -10.318 1.326 9.045 1.00 0.00 ATOM 499 CA PHE 60 -10.950 1.434 10.337 1.00 0.00 ATOM 500 CB PHE 60 -12.465 1.588 10.182 1.00 0.00 ATOM 501 CG PHE 60 -12.885 2.930 9.654 1.00 0.00 ATOM 502 CD1 PHE 60 -13.243 3.085 8.326 1.00 0.00 ATOM 503 CD2 PHE 60 -12.923 4.036 10.484 1.00 0.00 ATOM 504 CE1 PHE 60 -13.630 4.320 7.839 1.00 0.00 ATOM 505 CE2 PHE 60 -13.311 5.271 9.998 1.00 0.00 ATOM 506 CZ PHE 60 -13.663 5.415 8.681 1.00 0.00 ATOM 507 O PHE 60 -10.084 -0.729 10.493 1.00 0.00 ATOM 508 C PHE 60 -10.644 0.182 11.106 1.00 0.00 ATOM 509 N ARG 61 -10.478 0.355 12.404 1.00 0.00 ATOM 510 CA ARG 61 -10.104 -0.745 13.267 1.00 0.00 ATOM 511 CB ARG 61 -10.645 -0.210 14.779 1.00 0.00 ATOM 512 CG ARG 61 -9.967 -0.458 16.123 1.00 0.00 ATOM 513 CD ARG 61 -10.824 0.023 17.305 1.00 0.00 ATOM 514 NE ARG 61 -11.045 1.477 17.420 1.00 0.00 ATOM 515 CZ ARG 61 -10.257 2.305 18.099 1.00 0.00 ATOM 516 NH1 ARG 61 -9.142 1.861 18.671 1.00 0.00 ATOM 517 NH2 ARG 61 -10.557 3.590 18.199 1.00 0.00 ATOM 518 O ARG 61 -10.546 -3.097 13.429 1.00 0.00 ATOM 519 C ARG 61 -10.978 -1.980 13.130 1.00 0.00 ATOM 520 N GLU 62 -12.201 -1.787 12.649 1.00 0.00 ATOM 521 CA GLU 62 -13.080 -2.924 12.435 1.00 0.00 ATOM 522 CB GLU 62 -14.474 -2.452 12.016 1.00 0.00 ATOM 523 CG GLU 62 -15.255 -1.764 13.124 1.00 0.00 ATOM 524 CD GLU 62 -16.569 -1.184 12.635 1.00 0.00 ATOM 525 OE1 GLU 62 -16.836 -1.261 11.418 1.00 0.00 ATOM 526 OE2 GLU 62 -17.332 -0.655 13.471 1.00 0.00 ATOM 527 O GLU 62 -12.697 -4.997 11.333 1.00 0.00 ATOM 528 C GLU 62 -12.480 -3.786 11.336 1.00 0.00 ATOM 529 N MET 63 -12.206 -3.120 10.221 1.00 0.00 ATOM 530 CA MET 63 -11.611 -3.752 9.075 1.00 0.00 ATOM 531 CB MET 63 -11.202 -2.705 8.038 1.00 0.00 ATOM 532 CG MET 63 -12.372 -2.023 7.349 1.00 0.00 ATOM 533 SD MET 63 -11.853 -0.692 6.248 1.00 0.00 ATOM 534 CE MET 63 -10.961 -1.615 4.999 1.00 0.00 ATOM 535 O MET 63 -10.166 -5.644 8.923 1.00 0.00 ATOM 536 C MET 63 -10.369 -4.548 9.440 1.00 0.00 ATOM 537 N LEU 64 -9.518 -3.941 10.265 1.00 0.00 ATOM 538 CA LEU 64 -8.256 -4.536 10.681 1.00 0.00 ATOM 539 CB LEU 64 -7.472 -3.565 11.567 1.00 0.00 ATOM 540 CG LEU 64 -6.906 -2.323 10.876 1.00 0.00 ATOM 541 CD1 LEU 64 -6.314 -1.363 11.898 1.00 0.00 ATOM 542 CD2 LEU 64 -5.812 -2.706 9.892 1.00 0.00 ATOM 543 O LEU 64 -7.847 -6.830 11.192 1.00 0.00 ATOM 544 C LEU 64 -8.467 -5.803 11.462 1.00 0.00 ATOM 545 N GLU 65 -9.471 -5.703 12.308 1.00 0.00 ATOM 546 CA GLU 65 -9.894 -6.737 13.221 1.00 0.00 ATOM 547 CB GLU 65 -10.967 -6.205 14.174 1.00 0.00 ATOM 548 CG GLU 65 -11.427 -7.213 15.214 1.00 0.00 ATOM 549 CD GLU 65 -12.464 -6.640 16.160 1.00 0.00 ATOM 550 OE1 GLU 65 -12.824 -5.456 16.000 1.00 0.00 ATOM 551 OE2 GLU 65 -12.916 -7.377 17.063 1.00 0.00 ATOM 552 O GLU 65 -9.770 -8.938 12.352 1.00 0.00 ATOM 553 C GLU 65 -10.480 -7.942 12.502 1.00 0.00 ATOM 554 N LYS 66 -11.417 -7.639 11.607 1.00 0.00 ATOM 555 CA LYS 66 -12.195 -8.614 10.866 1.00 0.00 ATOM 556 CB LYS 66 -13.493 -7.987 10.354 1.00 0.00 ATOM 557 CG LYS 66 -14.472 -7.601 11.451 1.00 0.00 ATOM 558 CD LYS 66 -15.730 -6.974 10.874 1.00 0.00 ATOM 559 CE LYS 66 -16.721 -6.613 11.968 1.00 0.00 ATOM 560 NZ LYS 66 -17.968 -6.017 11.415 1.00 0.00 ATOM 561 O LYS 66 -12.209 -10.039 8.983 1.00 0.00 ATOM 562 C LYS 66 -11.541 -9.235 9.629 1.00 0.00 ATOM 563 N GLU 67 -10.512 -8.586 9.078 1.00 0.00 ATOM 564 CA GLU 67 -9.840 -9.057 7.877 1.00 0.00 ATOM 565 CB GLU 67 -9.922 -8.003 6.771 1.00 0.00 ATOM 566 CG GLU 67 -11.334 -7.721 6.285 1.00 0.00 ATOM 567 CD GLU 67 -11.369 -6.740 5.130 1.00 0.00 ATOM 568 OE1 GLU 67 -10.287 -6.281 4.708 1.00 0.00 ATOM 569 OE2 GLU 67 -12.477 -6.427 4.648 1.00 0.00 ATOM 570 O GLU 67 -7.849 -9.010 9.212 1.00 0.00 ATOM 571 C GLU 67 -8.379 -9.341 8.153 1.00 0.00 ATOM 572 N GLY 68 -7.703 -9.929 7.172 1.00 0.00 ATOM 573 CA GLY 68 -6.323 -10.237 7.392 1.00 0.00 ATOM 574 O GLY 68 -4.325 -9.211 6.953 1.00 0.00 ATOM 575 C GLY 68 -5.495 -9.005 7.255 1.00 0.00 ATOM 576 N LEU 69 -6.139 -7.924 6.834 1.00 0.00 ATOM 577 CA LEU 69 -5.457 -6.659 6.549 1.00 0.00 ATOM 578 CB LEU 69 -6.476 -5.533 6.358 1.00 0.00 ATOM 579 CG LEU 69 -7.324 -5.596 5.086 1.00 0.00 ATOM 580 CD1 LEU 69 -8.400 -4.522 5.104 1.00 0.00 ATOM 581 CD2 LEU 69 -6.463 -5.385 3.851 1.00 0.00 ATOM 582 O LEU 69 -3.583 -5.475 7.435 1.00 0.00 ATOM 583 C LEU 69 -4.518 -6.237 7.672 1.00 0.00 ATOM 584 N GLU 70 -4.918 -6.515 8.911 1.00 0.00 ATOM 585 CA GLU 70 -4.122 -6.172 10.083 1.00 0.00 ATOM 586 CB GLU 70 -4.791 -6.692 11.357 1.00 0.00 ATOM 587 CG GLU 70 -4.081 -6.293 12.640 1.00 0.00 ATOM 588 CD GLU 70 -4.824 -6.742 13.882 1.00 0.00 ATOM 589 OE1 GLU 70 -5.908 -7.347 13.740 1.00 0.00 ATOM 590 OE2 GLU 70 -4.325 -6.487 14.999 1.00 0.00 ATOM 591 O GLU 70 -1.738 -6.030 10.203 1.00 0.00 ATOM 592 C GLU 70 -2.709 -6.765 10.040 1.00 0.00 ATOM 593 N ASN 71 -2.586 -7.967 9.463 1.00 0.00 ATOM 594 CA ASN 71 -1.293 -8.596 9.397 1.00 0.00 ATOM 595 CB ASN 71 -1.405 -10.085 9.729 1.00 0.00 ATOM 596 CG ASN 71 -1.764 -10.333 11.182 1.00 0.00 ATOM 597 ND2 ASN 71 -2.446 -11.442 11.440 1.00 0.00 ATOM 598 OD1 ASN 71 -1.430 -9.537 12.058 1.00 0.00 ATOM 599 O ASN 71 0.376 -9.009 7.754 1.00 0.00 ATOM 600 C ASN 71 -0.689 -8.476 8.033 1.00 0.00 ATOM 601 N VAL 72 -1.402 -7.868 7.128 1.00 0.00 ATOM 602 CA VAL 72 -0.829 -7.820 5.818 1.00 0.00 ATOM 603 CB VAL 72 -1.561 -7.240 4.803 1.00 0.00 ATOM 604 CG1 VAL 72 -2.289 -8.457 4.251 1.00 0.00 ATOM 605 CG2 VAL 72 -2.530 -6.082 5.042 1.00 0.00 ATOM 606 O VAL 72 0.270 -5.854 6.360 1.00 0.00 ATOM 607 C VAL 72 0.386 -6.946 5.817 1.00 0.00 ATOM 608 N LEU 73 1.237 -7.189 4.834 1.00 0.00 ATOM 609 CA LEU 73 2.429 -6.397 4.597 1.00 0.00 ATOM 610 CB LEU 73 3.684 -7.200 4.945 1.00 0.00 ATOM 611 CG LEU 73 3.812 -7.662 6.398 1.00 0.00 ATOM 612 CD1 LEU 73 5.006 -8.590 6.565 1.00 0.00 ATOM 613 CD2 LEU 73 4.002 -6.472 7.326 1.00 0.00 ATOM 614 O LEU 73 1.824 -6.691 2.303 1.00 0.00 ATOM 615 C LEU 73 2.457 -6.014 3.120 1.00 0.00 ATOM 616 N PRO 74 3.193 -4.944 2.779 1.00 0.00 ATOM 617 CA PRO 74 3.252 -4.534 1.375 1.00 0.00 ATOM 618 CB PRO 74 4.124 -3.274 1.411 1.00 0.00 ATOM 619 CG PRO 74 3.890 -2.740 2.781 1.00 0.00 ATOM 620 CD PRO 74 3.665 -3.925 3.681 1.00 0.00 ATOM 621 O PRO 74 4.854 -6.168 0.734 1.00 0.00 ATOM 622 C PRO 74 3.744 -5.679 0.513 1.00 0.00 ATOM 623 N GLY 75 3.143 -5.843 -0.662 1.00 0.00 ATOM 624 CA GLY 75 3.563 -6.915 -1.557 1.00 0.00 ATOM 625 O GLY 75 5.789 -7.540 -2.160 1.00 0.00 ATOM 626 C GLY 75 4.928 -6.658 -2.168 1.00 0.00 ATOM 627 N VAL 76 5.211 -5.393 -2.463 1.00 0.00 ATOM 628 CA VAL 76 6.493 -5.013 -3.051 1.00 0.00 ATOM 629 CB VAL 76 6.310 -4.006 -4.201 1.00 0.00 ATOM 630 CG1 VAL 76 7.657 -3.613 -4.785 1.00 0.00 ATOM 631 CG2 VAL 76 5.462 -4.610 -5.310 1.00 0.00 ATOM 632 O VAL 76 8.654 -4.684 -2.044 1.00 0.00 ATOM 633 C VAL 76 7.451 -4.399 -2.039 1.00 0.00 ATOM 634 N LYS 77 6.945 -3.431 -1.285 1.00 0.00 ATOM 635 CA LYS 77 7.721 -2.761 -0.257 1.00 0.00 ATOM 636 CB LYS 77 7.980 -1.304 -0.643 1.00 0.00 ATOM 637 CG LYS 77 8.862 -1.135 -1.870 1.00 0.00 ATOM 638 CD LYS 77 9.113 0.334 -2.171 1.00 0.00 ATOM 639 CE LYS 77 9.935 0.505 -3.439 1.00 0.00 ATOM 640 NZ LYS 77 10.188 1.940 -3.747 1.00 0.00 ATOM 641 O LYS 77 5.735 -2.929 1.043 1.00 0.00 ATOM 642 C LYS 77 6.958 -2.795 1.056 1.00 0.00 ATOM 643 N SER 78 7.661 -3.040 2.153 1.00 0.00 ATOM 644 CA SER 78 7.004 -3.062 3.451 1.00 0.00 ATOM 645 CB SER 78 7.970 -3.550 4.533 1.00 0.00 ATOM 646 OG SER 78 9.010 -2.613 4.749 1.00 0.00 ATOM 647 O SER 78 6.999 -0.676 3.276 1.00 0.00 ATOM 648 C SER 78 6.526 -1.668 3.825 1.00 0.00 ATOM 649 N ILE 79 5.535 -1.614 4.705 1.00 0.00 ATOM 650 CA ILE 79 5.048 -0.318 5.191 1.00 0.00 ATOM 651 CB ILE 79 3.867 -0.496 6.154 1.00 0.00 ATOM 652 CG1 ILE 79 2.658 -1.037 5.420 1.00 0.00 ATOM 653 CG2 ILE 79 3.573 0.831 6.837 1.00 0.00 ATOM 654 CD1 ILE 79 1.559 -1.507 6.372 1.00 0.00 ATOM 655 O ILE 79 6.203 1.696 5.705 1.00 0.00 ATOM 656 C ILE 79 6.179 0.466 5.834 1.00 0.00 ATOM 657 N GLU 80 6.960 -0.170 6.677 1.00 0.00 ATOM 658 CA GLU 80 8.022 0.549 7.379 1.00 0.00 ATOM 659 CB GLU 80 8.674 -0.396 8.412 1.00 0.00 ATOM 660 CG GLU 80 7.670 -1.165 9.264 1.00 0.00 ATOM 661 CD GLU 80 8.329 -1.991 10.357 1.00 0.00 ATOM 662 OE1 GLU 80 9.373 -2.625 10.089 1.00 0.00 ATOM 663 OE2 GLU 80 7.794 -2.015 11.485 1.00 0.00 ATOM 664 O GLU 80 9.495 2.267 6.517 1.00 0.00 ATOM 665 C GLU 80 9.028 1.126 6.379 1.00 0.00 ATOM 666 N GLU 81 9.369 0.327 5.370 1.00 0.00 ATOM 667 CA GLU 81 10.296 0.770 4.333 1.00 0.00 ATOM 668 CB GLU 81 10.577 -0.364 3.345 1.00 0.00 ATOM 669 CG GLU 81 11.419 -1.493 3.919 1.00 0.00 ATOM 670 CD GLU 81 11.572 -2.652 2.954 1.00 0.00 ATOM 671 OE1 GLU 81 10.959 -2.607 1.866 1.00 0.00 ATOM 672 OE2 GLU 81 12.304 -3.608 3.286 1.00 0.00 ATOM 673 O GLU 81 10.427 2.927 3.259 1.00 0.00 ATOM 674 C GLU 81 9.724 1.953 3.549 1.00 0.00 ATOM 675 N GLY 82 8.445 1.857 3.207 1.00 0.00 ATOM 676 CA GLY 82 7.774 2.912 2.450 1.00 0.00 ATOM 677 O GLY 82 7.835 5.294 2.701 1.00 0.00 ATOM 678 C GLY 82 7.723 4.197 3.257 1.00 0.00 ATOM 679 N ILE 83 7.359 4.064 4.526 1.00 0.00 ATOM 680 CA ILE 83 7.296 5.209 5.426 1.00 0.00 ATOM 681 CB ILE 83 6.824 4.870 6.812 1.00 0.00 ATOM 682 CG1 ILE 83 5.383 4.354 6.785 1.00 0.00 ATOM 683 CG2 ILE 83 6.913 6.139 7.743 1.00 0.00 ATOM 684 CD1 ILE 83 4.904 3.696 8.077 1.00 0.00 ATOM 685 O ILE 83 8.745 7.111 5.249 1.00 0.00 ATOM 686 C ILE 83 8.649 5.910 5.507 1.00 0.00 ATOM 687 N GLN 84 9.707 5.125 5.679 1.00 0.00 ATOM 688 CA GLN 84 11.047 5.692 5.743 1.00 0.00 ATOM 689 CB GLN 84 12.063 4.628 6.159 1.00 0.00 ATOM 690 CG GLN 84 13.482 5.159 6.258 1.00 0.00 ATOM 691 CD GLN 84 14.447 4.136 6.815 1.00 0.00 ATOM 692 OE1 GLN 84 14.344 3.736 7.976 1.00 0.00 ATOM 693 NE2 GLN 84 15.388 3.702 5.988 1.00 0.00 ATOM 694 O GLN 84 12.029 7.385 4.368 1.00 0.00 ATOM 695 C GLN 84 11.449 6.302 4.406 1.00 0.00 ATOM 696 N VAL 85 11.144 5.621 3.310 1.00 0.00 ATOM 697 CA VAL 85 11.477 6.128 1.981 1.00 0.00 ATOM 698 CB VAL 85 11.143 5.049 0.899 1.00 0.00 ATOM 699 CG1 VAL 85 11.379 5.610 -0.502 1.00 0.00 ATOM 700 CG2 VAL 85 11.999 3.806 1.122 1.00 0.00 ATOM 701 O VAL 85 11.340 8.397 1.195 1.00 0.00 ATOM 702 C VAL 85 10.741 7.432 1.680 1.00 0.00 ATOM 703 N TYR 86 9.461 7.494 2.031 1.00 0.00 ATOM 704 CA TYR 86 8.686 8.700 1.784 1.00 0.00 ATOM 705 CB TYR 86 7.466 8.649 2.909 1.00 0.00 ATOM 706 CG TYR 86 6.338 9.655 2.793 1.00 0.00 ATOM 707 CD1 TYR 86 5.343 9.513 1.829 1.00 0.00 ATOM 708 CD2 TYR 86 6.261 10.743 3.666 1.00 0.00 ATOM 709 CE1 TYR 86 4.291 10.433 1.737 1.00 0.00 ATOM 710 CE2 TYR 86 5.214 11.665 3.583 1.00 0.00 ATOM 711 CZ TYR 86 4.236 11.501 2.619 1.00 0.00 ATOM 712 OH TYR 86 3.196 12.401 2.545 1.00 0.00 ATOM 713 O TYR 86 9.328 11.000 1.991 1.00 0.00 ATOM 714 C TYR 86 9.242 9.900 2.540 1.00 0.00 ATOM 715 N ARG 87 9.436 9.735 3.844 1.00 0.00 ATOM 716 CA ARG 87 9.940 10.820 4.672 1.00 0.00 ATOM 717 CB ARG 87 10.253 10.375 6.078 1.00 0.00 ATOM 718 CG ARG 87 9.014 10.054 6.904 1.00 0.00 ATOM 719 CD ARG 87 9.322 10.032 8.399 1.00 0.00 ATOM 720 NE ARG 87 9.992 8.816 8.861 1.00 0.00 ATOM 721 CZ ARG 87 9.379 7.656 9.095 1.00 0.00 ATOM 722 NH1 ARG 87 8.072 7.535 8.906 1.00 0.00 ATOM 723 NH2 ARG 87 10.074 6.623 9.560 1.00 0.00 ATOM 724 O ARG 87 11.422 12.519 3.906 1.00 0.00 ATOM 725 C ARG 87 11.309 11.337 4.243 1.00 0.00 ATOM 726 N ARG 88 12.221 10.439 3.913 1.00 0.00 ATOM 727 CA ARG 88 13.558 10.860 3.484 1.00 0.00 ATOM 728 CB ARG 88 14.485 9.674 3.488 1.00 0.00 ATOM 729 CG ARG 88 15.929 10.016 3.288 1.00 0.00 ATOM 730 CD ARG 88 16.792 8.969 3.836 1.00 0.00 ATOM 731 NE ARG 88 18.200 9.294 3.769 1.00 0.00 ATOM 732 CZ ARG 88 19.121 8.581 4.359 1.00 0.00 ATOM 733 NH1 ARG 88 18.778 7.510 5.031 1.00 0.00 ATOM 734 NH2 ARG 88 20.387 8.930 4.264 1.00 0.00 ATOM 735 O ARG 88 13.895 12.723 2.125 1.00 0.00 ATOM 736 C ARG 88 13.530 11.546 2.113 1.00 0.00 ATOM 737 N PHE 89 12.500 11.270 1.318 1.00 0.00 ATOM 738 CA PHE 89 12.397 11.876 -0.008 1.00 0.00 ATOM 739 CB PHE 89 11.599 10.884 -0.934 1.00 0.00 ATOM 740 CG PHE 89 11.474 11.513 -2.306 1.00 0.00 ATOM 741 CD1 PHE 89 12.601 11.577 -3.101 1.00 0.00 ATOM 742 CD2 PHE 89 10.342 12.190 -2.661 1.00 0.00 ATOM 743 CE1 PHE 89 12.567 12.201 -4.326 1.00 0.00 ATOM 744 CE2 PHE 89 10.295 12.847 -3.906 1.00 0.00 ATOM 745 CZ PHE 89 11.408 12.862 -4.705 1.00 0.00 ATOM 746 O PHE 89 12.320 14.161 -0.670 1.00 0.00 ATOM 747 C PHE 89 11.785 13.272 -0.002 1.00 0.00 ATOM 748 N TYR 90 10.985 13.580 1.013 1.00 0.00 ATOM 749 CA TYR 90 10.303 14.873 1.083 1.00 0.00 ATOM 750 CB TYR 90 8.832 14.685 1.456 1.00 0.00 ATOM 751 CG TYR 90 8.016 13.985 0.392 1.00 0.00 ATOM 752 CD1 TYR 90 7.866 12.605 0.404 1.00 0.00 ATOM 753 CD2 TYR 90 7.400 14.708 -0.620 1.00 0.00 ATOM 754 CE1 TYR 90 7.121 11.957 -0.563 1.00 0.00 ATOM 755 CE2 TYR 90 6.650 14.078 -1.597 1.00 0.00 ATOM 756 CZ TYR 90 6.516 12.691 -1.561 1.00 0.00 ATOM 757 OH TYR 90 5.774 12.047 -2.526 1.00 0.00 ATOM 758 O TYR 90 11.210 15.429 3.235 1.00 0.00 ATOM 759 C TYR 90 10.899 15.829 2.116 1.00 0.00 ATOM 760 N ASP 91 11.119 17.096 1.731 1.00 0.00 ATOM 761 CA ASP 91 11.684 18.102 2.640 1.00 0.00 ATOM 762 CB ASP 91 11.958 19.408 1.892 1.00 0.00 ATOM 763 CG ASP 91 13.149 19.305 0.958 1.00 0.00 ATOM 764 OD1 ASP 91 13.883 18.298 1.041 1.00 0.00 ATOM 765 OD2 ASP 91 13.347 20.232 0.144 1.00 0.00 ATOM 766 O ASP 91 9.569 17.898 3.683 1.00 0.00 ATOM 767 C ASP 91 10.695 18.372 3.765 1.00 0.00 ATOM 768 N GLU 92 11.192 18.785 4.926 1.00 0.00 ATOM 769 CA GLU 92 10.310 19.080 6.056 1.00 0.00 ATOM 770 CB GLU 92 11.102 19.711 7.203 1.00 0.00 ATOM 771 CG GLU 92 10.274 19.999 8.444 1.00 0.00 ATOM 772 CD GLU 92 11.104 20.564 9.580 1.00 0.00 ATOM 773 OE1 GLU 92 12.332 20.709 9.403 1.00 0.00 ATOM 774 OE2 GLU 92 10.526 20.862 10.647 1.00 0.00 ATOM 775 O GLU 92 8.062 19.878 6.154 1.00 0.00 ATOM 776 C GLU 92 9.193 20.046 5.699 1.00 0.00 ATOM 777 N GLU 93 9.476 21.097 4.954 1.00 0.00 ATOM 778 CA GLU 93 8.448 22.072 4.594 1.00 0.00 ATOM 779 CB GLU 93 9.065 23.238 3.817 1.00 0.00 ATOM 780 CG GLU 93 9.941 24.150 4.660 1.00 0.00 ATOM 781 CD GLU 93 10.633 25.219 3.836 1.00 0.00 ATOM 782 OE1 GLU 93 10.486 25.200 2.595 1.00 0.00 ATOM 783 OE2 GLU 93 11.322 26.075 4.430 1.00 0.00 ATOM 784 O GLU 93 6.169 21.803 3.900 1.00 0.00 ATOM 785 C GLU 93 7.343 21.485 3.716 1.00 0.00 ATOM 786 N LYS 94 7.717 20.653 2.750 1.00 0.00 ATOM 787 CA LYS 94 6.727 20.040 1.869 1.00 0.00 ATOM 788 CB LYS 94 7.411 19.161 0.820 1.00 0.00 ATOM 789 CG LYS 94 8.189 19.940 -0.229 1.00 0.00 ATOM 790 CD LYS 94 8.841 19.007 -1.238 1.00 0.00 ATOM 791 CE LYS 94 9.638 19.783 -2.272 1.00 0.00 ATOM 792 NZ LYS 94 10.309 18.881 -3.247 1.00 0.00 ATOM 793 O LYS 94 4.555 19.196 2.442 1.00 0.00 ATOM 794 C LYS 94 5.765 19.173 2.672 1.00 0.00 ATOM 795 N GLU 95 6.310 18.409 3.616 1.00 0.00 ATOM 796 CA GLU 95 5.495 17.526 4.446 1.00 0.00 ATOM 797 CB GLU 95 6.382 16.702 5.382 1.00 0.00 ATOM 798 CG GLU 95 7.201 15.632 4.676 1.00 0.00 ATOM 799 CD GLU 95 8.166 14.928 5.609 1.00 0.00 ATOM 800 OE1 GLU 95 8.253 15.331 6.788 1.00 0.00 ATOM 801 OE2 GLU 95 8.835 13.974 5.161 1.00 0.00 ATOM 802 O GLU 95 3.406 17.876 5.554 1.00 0.00 ATOM 803 C GLU 95 4.529 18.319 5.317 1.00 0.00 ATOM 804 N LYS 96 5.042 19.349 5.979 1.00 0.00 ATOM 805 CA LYS 96 4.224 20.182 6.846 1.00 0.00 ATOM 806 CB LYS 96 5.080 21.270 7.498 1.00 0.00 ATOM 807 CG LYS 96 6.051 20.750 8.547 1.00 0.00 ATOM 808 CD LYS 96 6.872 21.880 9.146 1.00 0.00 ATOM 809 CE LYS 96 7.846 21.358 10.191 1.00 0.00 ATOM 810 NZ LYS 96 8.679 22.451 10.765 1.00 0.00 ATOM 811 O LYS 96 2.109 21.287 6.680 1.00 0.00 ATOM 812 C LYS 96 3.101 20.880 6.082 1.00 0.00 ATOM 813 N LYS 97 3.363 21.227 4.822 1.00 0.00 ATOM 814 CA LYS 97 2.381 21.899 4.009 1.00 0.00 ATOM 815 CB LYS 97 2.921 22.128 2.596 1.00 0.00 ATOM 816 CG LYS 97 4.027 23.168 2.516 1.00 0.00 ATOM 817 CD LYS 97 4.522 23.340 1.088 1.00 0.00 ATOM 818 CE LYS 97 5.631 24.375 1.009 1.00 0.00 ATOM 819 NZ LYS 97 6.145 24.532 -0.380 1.00 0.00 ATOM 820 O LYS 97 0.062 21.711 3.667 1.00 0.00 ATOM 821 C LYS 97 1.092 21.122 3.870 1.00 0.00 ATOM 822 N TYR 98 1.162 19.788 3.932 1.00 0.00 ATOM 823 CA TYR 98 -0.013 18.930 3.811 1.00 0.00 ATOM 824 CB TYR 98 0.103 17.986 2.625 1.00 0.00 ATOM 825 CG TYR 98 0.145 18.756 1.310 1.00 0.00 ATOM 826 CD1 TYR 98 -1.001 19.222 0.698 1.00 0.00 ATOM 827 CD2 TYR 98 1.374 19.006 0.694 1.00 0.00 ATOM 828 CE1 TYR 98 -0.933 19.946 -0.500 1.00 0.00 ATOM 829 CE2 TYR 98 1.447 19.685 -0.500 1.00 0.00 ATOM 830 CZ TYR 98 0.315 20.168 -1.079 1.00 0.00 ATOM 831 OH TYR 98 0.367 20.778 -2.320 1.00 0.00 ATOM 832 O TYR 98 -1.099 17.250 5.168 1.00 0.00 ATOM 833 C TYR 98 -0.302 18.200 5.135 1.00 0.00 ATOM 834 N GLY 99 0.285 18.660 6.240 1.00 0.00 ATOM 835 CA GLY 99 -0.128 18.152 7.554 1.00 0.00 ATOM 836 O GLY 99 -0.089 16.196 8.855 1.00 0.00 ATOM 837 C GLY 99 0.376 16.773 7.843 1.00 0.00 ATOM 838 N VAL 100 1.512 16.358 7.340 1.00 0.00 ATOM 839 CA VAL 100 2.076 15.034 7.641 1.00 0.00 ATOM 840 CB VAL 100 2.423 14.244 6.366 1.00 0.00 ATOM 841 CG1 VAL 100 3.019 12.885 6.729 1.00 0.00 ATOM 842 CG2 VAL 100 1.184 14.029 5.518 1.00 0.00 ATOM 843 O VAL 100 4.254 15.927 8.084 1.00 0.00 ATOM 844 C VAL 100 3.355 15.200 8.481 1.00 0.00 ATOM 845 N VAL 101 3.376 14.616 9.678 1.00 0.00 ATOM 846 CA VAL 101 4.507 14.753 10.582 1.00 0.00 ATOM 847 CB VAL 101 4.073 15.433 11.902 1.00 0.00 ATOM 848 CG1 VAL 101 5.243 15.476 12.892 1.00 0.00 ATOM 849 CG2 VAL 101 3.560 16.838 11.617 1.00 0.00 ATOM 850 O VAL 101 4.455 12.646 11.692 1.00 0.00 ATOM 851 C VAL 101 5.049 13.362 10.888 1.00 0.00 ATOM 852 N ALA 102 6.305 13.121 10.534 1.00 0.00 ATOM 853 CA ALA 102 6.912 11.820 10.789 1.00 0.00 ATOM 854 CB ALA 102 8.081 11.590 9.847 1.00 0.00 ATOM 855 O ALA 102 7.834 12.755 12.789 1.00 0.00 ATOM 856 C ALA 102 7.385 11.750 12.232 1.00 0.00 ATOM 857 N ILE 103 7.064 10.661 12.902 1.00 0.00 ATOM 858 CA ILE 103 7.451 10.440 14.300 1.00 0.00 ATOM 859 CB ILE 103 6.202 10.202 15.194 1.00 0.00 ATOM 860 CG1 ILE 103 5.352 11.474 15.252 1.00 0.00 ATOM 861 CG2 ILE 103 6.616 9.757 16.599 1.00 0.00 ATOM 862 CD1 ILE 103 3.986 11.260 15.868 1.00 0.00 ATOM 863 O ILE 103 7.867 8.094 13.983 1.00 0.00 ATOM 864 C ILE 103 8.327 9.194 14.295 1.00 0.00 ATOM 865 N GLU 104 9.617 9.377 14.595 1.00 0.00 ATOM 866 CA GLU 104 10.552 8.263 14.615 1.00 0.00 ATOM 867 CB GLU 104 11.977 8.765 14.862 1.00 0.00 ATOM 868 CG GLU 104 13.039 7.678 14.793 1.00 0.00 ATOM 869 CD GLU 104 14.440 8.219 14.995 1.00 0.00 ATOM 870 OE1 GLU 104 14.581 9.445 15.189 1.00 0.00 ATOM 871 OE2 GLU 104 15.396 7.418 14.959 1.00 0.00 ATOM 872 O GLU 104 10.064 7.652 16.884 1.00 0.00 ATOM 873 C GLU 104 10.204 7.269 15.715 1.00 0.00 ATOM 874 N ILE 105 10.147 5.994 15.346 1.00 0.00 ATOM 875 CA ILE 105 9.859 4.932 16.296 1.00 0.00 ATOM 876 CB ILE 105 8.390 4.395 16.177 1.00 0.00 ATOM 877 CG1 ILE 105 8.157 3.756 14.806 1.00 0.00 ATOM 878 CG2 ILE 105 7.389 5.512 16.457 1.00 0.00 ATOM 879 CD1 ILE 105 6.835 3.008 14.700 1.00 0.00 ATOM 880 O ILE 105 11.538 3.650 15.102 1.00 0.00 ATOM 881 C ILE 105 10.789 3.744 16.106 1.00 0.00 ATOM 882 N GLU 106 10.863 2.910 17.157 1.00 0.00 ATOM 883 CA GLU 106 11.508 1.605 17.048 1.00 0.00 ATOM 884 CB GLU 106 11.294 0.794 18.327 1.00 0.00 ATOM 885 CG GLU 106 11.956 -0.574 18.312 1.00 0.00 ATOM 886 CD GLU 106 11.757 -1.333 19.610 1.00 0.00 ATOM 887 OE1 GLU 106 11.130 -0.773 20.534 1.00 0.00 ATOM 888 OE2 GLU 106 12.229 -2.484 19.704 1.00 0.00 ATOM 889 O GLU 106 11.802 0.161 15.158 1.00 0.00 ATOM 890 C GLU 106 10.991 0.758 15.906 1.00 0.00 ATOM 891 N PRO 107 9.689 0.528 15.733 1.00 0.00 ATOM 892 CA PRO 107 9.186 -0.314 14.640 1.00 0.00 ATOM 893 CB PRO 107 7.674 -0.133 14.739 1.00 0.00 ATOM 894 CG PRO 107 7.463 0.040 16.181 1.00 0.00 ATOM 895 CD PRO 107 8.589 0.956 16.614 1.00 0.00 ATOM 896 O PRO 107 9.914 -0.656 12.374 1.00 0.00 ATOM 897 C PRO 107 9.705 0.156 13.278 1.00 0.00 ATOM 898 N LEU 108 9.783 1.472 13.088 1.00 0.00 ATOM 899 CA LEU 108 10.275 2.034 11.822 1.00 0.00 ATOM 900 CB LEU 108 10.167 3.568 11.816 1.00 0.00 ATOM 901 CG LEU 108 8.740 4.148 11.823 1.00 0.00 ATOM 902 CD1 LEU 108 8.784 5.677 11.918 1.00 0.00 ATOM 903 CD2 LEU 108 8.002 3.720 10.558 1.00 0.00 ATOM 904 O LEU 108 11.995 1.114 10.434 1.00 0.00 ATOM 905 C LEU 108 11.714 1.600 11.537 1.00 0.00 ATOM 906 N GLU 109 12.511 1.454 12.592 1.00 0.00 ATOM 907 CA GLU 109 13.895 1.021 12.440 1.00 0.00 ATOM 908 CB GLU 109 14.704 1.277 13.718 1.00 0.00 ATOM 909 CG GLU 109 14.962 2.774 13.976 1.00 0.00 ATOM 910 CD GLU 109 15.790 3.050 15.225 1.00 0.00 ATOM 911 OE1 GLU 109 16.136 2.108 15.970 1.00 0.00 ATOM 912 OE2 GLU 109 16.089 4.232 15.471 1.00 0.00 ATOM 913 O GLU 109 14.708 -0.847 11.184 1.00 0.00 ATOM 914 C GLU 109 13.941 -0.449 12.071 1.00 0.00 ATOM 915 N TYR 110 13.145 -1.257 12.769 1.00 0.00 ATOM 916 CA TYR 110 13.103 -2.686 12.502 1.00 0.00 ATOM 917 CB TYR 110 12.193 -3.395 13.512 1.00 0.00 ATOM 918 CG TYR 110 11.809 -4.789 13.070 1.00 0.00 ATOM 919 CD1 TYR 110 12.753 -5.816 13.030 1.00 0.00 ATOM 920 CD2 TYR 110 10.522 -5.061 12.618 1.00 0.00 ATOM 921 CE1 TYR 110 12.420 -7.082 12.537 1.00 0.00 ATOM 922 CE2 TYR 110 10.181 -6.315 12.127 1.00 0.00 ATOM 923 CZ TYR 110 11.130 -7.319 12.085 1.00 0.00 ATOM 924 OH TYR 110 10.789 -8.549 11.562 1.00 0.00 ATOM 925 O TYR 110 13.126 -3.772 10.372 1.00 0.00 ATOM 926 C TYR 110 12.632 -2.898 11.059 1.00 0.00 TER END