PFRMAT TS TARGET T0197 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 strand pairings and 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 For T0197, the sam-t2k and sam-t04 multiple alignments resulted in METHOD different secondary structure predictions. We preferred the sam-t04 METHOD predictions, which resulted in 8 strands. These eight strands cried METHOD out to be arranged into a barrel, and two of our top three METHOD fold-recognition hits were for barrels (SCOP domain d.63.1, METHOD exemplified by 1d8hiA and 1d8iA, SCOP domian b.60.1 exemplified by METHOD 1gm6A and 1ew3A) and the other formed a half-barrel (d.32.1 METHOD exemplified by 1cjxA and 1ewjA). METHOD METHOD None of the automatically generated alignments were full-length, METHOD generally getting only 3 or 4 strands in a sheet. We did not like the METHOD all-antiparallel barrel of b.60.1, thinking that the helices implied METHOD some parallel strands, and tried creating an ab-initio model that METHOD had parallel connections for strand-helix-strand connections, and METHOD antiparallel for strand-strand connections, but keeping an METHOD s1-s2-s3-s4-s5-s6-s7-s8 order around the barrel. This failed, though METHOD not spectacularly. One of the attempts is reported as model 3. METHOD METHOD Noticing that the attempt to form the barrel resulted in a cluster of METHOD charged residues in the center of the barrel, we tried finding an METHOD alignment to d.63.1, which also has such a cluster. This involved METHOD building an ab initio model with a guess at the strand pairing, doing METHOD a structural alignment to 1d8iA, then modifying the alignment to flip METHOD over strands that appeared to be facing the wrong way. We tried also METHOD putting in some bulges, but this may have been a mistake. METHOD METHOD Had we not been overwhelmed by too many targets for CASP6, we could METHOD probably have produced a more convincing model for this target, but METHOD time pressure forced us to stop well before we were done. METHOD Model 4 is a fully automatic model---the best-scoring template from METHOD the sam-t2k multiple alignment, and the 3-track HMM alignment to that METHOD template, with sidechains optimized by SCWRL. It is based on template METHOD 1gm6A, which is the b.60.1 SCOP domain (a fold we later rejected as METHOD not quite right). REMARK 6 REMARK 6 T0197 model 4 Fri Jul 2 11:46:49 2004 MODEL 4 PARENT 1gm6_A ATOM 2 N ARG 55 -3.798 16.657 -12.173 1.00 0.00 ATOM 3 CA ARG 55 -4.461 17.956 -12.120 1.00 0.00 ATOM 4 CB ARG 55 -5.066 18.306 -13.482 1.00 0.00 ATOM 5 CG ARG 55 -4.035 18.578 -14.566 1.00 0.00 ATOM 6 CD ARG 55 -4.700 18.824 -15.910 1.00 0.00 ATOM 7 NE ARG 55 -5.388 17.634 -16.407 1.00 0.00 ATOM 8 CZ ARG 55 -6.239 17.635 -17.428 1.00 0.00 ATOM 9 NH1 ARG 55 -6.818 16.503 -17.808 1.00 0.00 ATOM 10 NH2 ARG 55 -6.510 18.765 -18.063 1.00 0.00 ATOM 11 O ARG 55 -6.133 16.977 -10.743 1.00 0.00 ATOM 12 C ARG 55 -5.574 18.000 -11.118 1.00 0.00 ATOM 13 N GLY 56 -5.868 19.212 -10.672 1.00 0.00 ATOM 14 CA GLY 56 -6.923 19.461 -9.713 1.00 0.00 ATOM 15 O GLY 56 -7.398 21.468 -10.916 1.00 0.00 ATOM 16 C GLY 56 -7.855 20.469 -10.358 1.00 0.00 ATOM 17 N VAL 57 -9.155 20.187 -10.319 1.00 0.00 ATOM 18 CA VAL 57 -10.139 21.106 -10.871 1.00 0.00 ATOM 19 CB VAL 57 -10.830 20.514 -12.113 1.00 0.00 ATOM 20 CG1 VAL 57 -11.889 21.471 -12.640 1.00 0.00 ATOM 21 CG2 VAL 57 -9.816 20.262 -13.218 1.00 0.00 ATOM 22 O VAL 57 -11.616 20.452 -9.104 1.00 0.00 ATOM 23 C VAL 57 -11.178 21.373 -9.799 1.00 0.00 ATOM 24 N HIS 58 -11.531 22.646 -9.647 1.00 0.00 ATOM 25 CA HIS 58 -12.532 23.061 -8.678 1.00 0.00 ATOM 26 CB HIS 58 -12.231 24.471 -8.166 1.00 0.00 ATOM 27 CG HIS 58 -13.174 24.941 -7.104 1.00 0.00 ATOM 28 CD2 HIS 58 -14.316 25.844 -7.054 1.00 0.00 ATOM 29 ND1 HIS 58 -13.090 24.522 -5.793 1.00 0.00 ATOM 30 CE1 HIS 58 -14.065 25.113 -5.081 1.00 0.00 ATOM 31 NE2 HIS 58 -14.804 25.907 -5.830 1.00 0.00 ATOM 32 O HIS 58 -14.150 23.847 -10.260 1.00 0.00 ATOM 33 C HIS 58 -13.891 23.046 -9.366 1.00 0.00 ATOM 34 N ASN 59 -14.748 22.120 -8.950 1.00 0.00 ATOM 35 CA ASN 59 -16.067 21.990 -9.537 1.00 0.00 ATOM 36 CB ASN 59 -16.683 20.638 -9.176 1.00 0.00 ATOM 37 CG ASN 59 -15.984 19.478 -9.857 1.00 0.00 ATOM 38 ND2 ASN 59 -16.083 18.296 -9.259 1.00 0.00 ATOM 39 OD1 ASN 59 -15.364 19.645 -10.906 1.00 0.00 ATOM 40 O ASN 59 -16.755 23.726 -8.042 1.00 0.00 ATOM 41 C ASN 59 -17.011 23.066 -9.055 1.00 0.00 ATOM 42 N LEU 60 -18.107 23.225 -9.793 1.00 0.00 ATOM 43 CA LEU 60 -19.127 24.216 -9.476 1.00 0.00 ATOM 44 CB LEU 60 -20.285 24.131 -10.473 1.00 0.00 ATOM 45 CG LEU 60 -19.970 24.536 -11.915 1.00 0.00 ATOM 46 CD1 LEU 60 -21.164 24.275 -12.819 1.00 0.00 ATOM 47 CD2 LEU 60 -19.626 26.014 -11.994 1.00 0.00 ATOM 48 O LEU 60 -20.348 24.993 -7.553 1.00 0.00 ATOM 49 C LEU 60 -19.738 24.053 -8.074 1.00 0.00 ATOM 50 N LYS 61 -19.581 22.872 -7.465 1.00 0.00 ATOM 51 CA LYS 61 -20.100 22.648 -6.113 1.00 0.00 ATOM 52 CB LYS 61 -20.689 21.241 -5.992 1.00 0.00 ATOM 53 CG LYS 61 -21.882 20.987 -6.899 1.00 0.00 ATOM 54 CD LYS 61 -22.464 19.602 -6.671 1.00 0.00 ATOM 55 CE LYS 61 -23.643 19.339 -7.595 1.00 0.00 ATOM 56 NZ LYS 61 -24.221 17.984 -7.386 1.00 0.00 ATOM 57 O LYS 61 -19.245 22.424 -3.886 1.00 0.00 ATOM 58 C LYS 61 -19.024 22.784 -5.044 1.00 0.00 ATOM 59 N LYS 62 -17.861 23.298 -5.447 1.00 0.00 ATOM 60 CA LYS 62 -16.723 23.533 -4.555 1.00 0.00 ATOM 61 CB LYS 62 -17.202 24.061 -3.202 1.00 0.00 ATOM 62 CG LYS 62 -17.872 25.424 -3.270 1.00 0.00 ATOM 63 CD LYS 62 -18.291 25.903 -1.889 1.00 0.00 ATOM 64 CE LYS 62 -18.981 27.254 -1.959 1.00 0.00 ATOM 65 NZ LYS 62 -19.312 27.781 -0.605 1.00 0.00 ATOM 66 O LYS 62 -14.917 22.360 -3.499 1.00 0.00 ATOM 67 C LYS 62 -15.881 22.295 -4.255 1.00 0.00 ATOM 68 N TYR 63 -16.255 21.169 -4.847 1.00 0.00 ATOM 69 CA TYR 63 -15.519 19.934 -4.654 1.00 0.00 ATOM 70 CB TYR 63 -16.408 18.728 -4.961 1.00 0.00 ATOM 71 CG TYR 63 -17.563 18.559 -4.001 1.00 0.00 ATOM 72 CD1 TYR 63 -17.584 19.232 -2.786 1.00 0.00 ATOM 73 CD2 TYR 63 -18.630 17.725 -4.312 1.00 0.00 ATOM 74 CE1 TYR 63 -18.636 19.084 -1.902 1.00 0.00 ATOM 75 CE2 TYR 63 -19.691 17.565 -3.441 1.00 0.00 ATOM 76 CZ TYR 63 -19.686 18.253 -2.228 1.00 0.00 ATOM 77 OH TYR 63 -20.735 18.104 -1.351 1.00 0.00 ATOM 78 O TYR 63 -14.405 20.589 -6.657 1.00 0.00 ATOM 79 C TYR 63 -14.340 19.969 -5.602 1.00 0.00 ATOM 80 N TYR 64 -13.263 19.296 -5.222 1.00 0.00 ATOM 81 CA TYR 64 -12.053 19.246 -6.033 1.00 0.00 ATOM 82 CB TYR 64 -10.810 19.363 -5.149 1.00 0.00 ATOM 83 CG TYR 64 -10.648 20.716 -4.495 1.00 0.00 ATOM 84 CD1 TYR 64 -11.176 20.965 -3.234 1.00 0.00 ATOM 85 CD2 TYR 64 -9.969 21.743 -5.140 1.00 0.00 ATOM 86 CE1 TYR 64 -11.034 22.199 -2.629 1.00 0.00 ATOM 87 CE2 TYR 64 -9.817 22.983 -4.549 1.00 0.00 ATOM 88 CZ TYR 64 -10.357 23.204 -3.283 1.00 0.00 ATOM 89 OH TYR 64 -10.214 24.434 -2.683 1.00 0.00 ATOM 90 O TYR 64 -12.007 16.858 -6.213 1.00 0.00 ATOM 91 C TYR 64 -11.971 17.934 -6.800 1.00 0.00 ATOM 92 N LEU 65 -11.851 18.020 -8.115 1.00 0.00 ATOM 93 CA LEU 65 -11.758 16.820 -8.925 1.00 0.00 ATOM 94 CB LEU 65 -12.441 17.032 -10.279 1.00 0.00 ATOM 95 CG LEU 65 -12.402 15.852 -11.250 1.00 0.00 ATOM 96 CD1 LEU 65 -13.139 14.653 -10.670 1.00 0.00 ATOM 97 CD2 LEU 65 -13.059 16.219 -12.572 1.00 0.00 ATOM 98 O LEU 65 -9.589 17.256 -9.814 1.00 0.00 ATOM 99 C LEU 65 -10.285 16.508 -9.140 1.00 0.00 ATOM 100 N THR 66 -9.816 15.412 -8.550 1.00 0.00 ATOM 101 CA THR 66 -8.411 14.991 -8.655 1.00 0.00 ATOM 102 CB THR 66 -7.915 14.348 -7.347 1.00 0.00 ATOM 103 CG2 THR 66 -6.471 13.893 -7.492 1.00 0.00 ATOM 104 OG1 THR 66 -7.995 15.303 -6.281 1.00 0.00 ATOM 105 O THR 66 -9.076 13.092 -9.946 1.00 0.00 ATOM 106 C THR 66 -8.233 13.970 -9.770 1.00 0.00 ATOM 107 N PHE 67 -7.144 14.087 -10.525 1.00 0.00 ATOM 108 CA PHE 67 -6.835 13.093 -11.544 1.00 0.00 ATOM 109 CB PHE 67 -6.947 13.704 -12.941 1.00 0.00 ATOM 110 CG PHE 67 -6.644 12.740 -14.052 1.00 0.00 ATOM 111 CD1 PHE 67 -7.573 11.787 -14.434 1.00 0.00 ATOM 112 CD2 PHE 67 -5.431 12.784 -14.716 1.00 0.00 ATOM 113 CE1 PHE 67 -7.295 10.900 -15.455 1.00 0.00 ATOM 114 CE2 PHE 67 -5.152 11.896 -15.737 1.00 0.00 ATOM 115 CZ PHE 67 -6.079 10.957 -16.108 1.00 0.00 ATOM 116 O PHE 67 -4.508 13.489 -11.104 1.00 0.00 ATOM 117 C PHE 67 -5.404 12.653 -11.247 1.00 0.00 ATOM 118 N LYS 68 -5.184 11.351 -11.124 1.00 0.00 ATOM 119 CA LYS 68 -3.853 10.864 -10.819 1.00 0.00 ATOM 120 CB LYS 68 -3.654 10.757 -9.306 1.00 0.00 ATOM 121 CG LYS 68 -4.542 9.722 -8.635 1.00 0.00 ATOM 122 CD LYS 68 -4.307 9.681 -7.134 1.00 0.00 ATOM 123 CE LYS 68 -5.220 8.672 -6.459 1.00 0.00 ATOM 124 NZ LYS 68 -4.941 8.559 -5.000 1.00 0.00 ATOM 125 O LYS 68 -4.550 8.831 -11.848 1.00 0.00 ATOM 126 C LYS 68 -3.622 9.502 -11.419 1.00 0.00 ATOM 127 N GLU 69 -2.363 9.097 -11.444 1.00 0.00 ATOM 128 CA GLU 69 -1.974 7.801 -11.978 1.00 0.00 ATOM 129 CB GLU 69 -0.908 7.964 -13.064 1.00 0.00 ATOM 130 CG GLU 69 -1.397 8.693 -14.306 1.00 0.00 ATOM 131 CD GLU 69 -0.339 8.766 -15.391 1.00 0.00 ATOM 132 OE1 GLU 69 0.791 8.291 -15.153 1.00 0.00 ATOM 133 OE2 GLU 69 -0.642 9.296 -16.480 1.00 0.00 ATOM 134 O GLU 69 -0.866 7.433 -9.902 1.00 0.00 ATOM 135 C GLU 69 -1.404 6.918 -10.876 1.00 0.00 ATOM 136 N ILE 70 -1.591 5.609 -10.977 1.00 0.00 ATOM 137 CA ILE 70 -0.853 4.704 -10.104 1.00 0.00 ATOM 138 CB ILE 70 -1.693 4.288 -8.882 1.00 0.00 ATOM 139 CG1 ILE 70 -2.106 5.519 -8.074 1.00 0.00 ATOM 140 CG2 ILE 70 -0.895 3.362 -7.977 1.00 0.00 ATOM 141 CD1 ILE 70 -3.062 5.215 -6.942 1.00 0.00 ATOM 142 O ILE 70 -1.198 3.297 -12.003 1.00 0.00 ATOM 143 C ILE 70 -0.541 3.515 -10.982 1.00 0.00 ATOM 144 N LEU 71 -0.602 -0.123 -11.667 1.00 0.00 ATOM 145 CA LEU 71 -1.352 -1.317 -11.297 1.00 0.00 ATOM 146 CB LEU 71 -2.854 -1.081 -11.466 1.00 0.00 ATOM 147 CG LEU 71 -3.773 -2.225 -11.032 1.00 0.00 ATOM 148 CD1 LEU 71 -3.681 -2.449 -9.531 1.00 0.00 ATOM 149 CD2 LEU 71 -5.222 -1.912 -11.379 1.00 0.00 ATOM 150 O LEU 71 -0.891 -2.358 -13.418 1.00 0.00 ATOM 151 C LEU 71 -0.933 -2.480 -12.188 1.00 0.00 ATOM 152 N ASP 72 -0.614 -3.600 -11.544 1.00 0.00 ATOM 153 CA ASP 72 -0.203 -4.809 -12.240 1.00 0.00 ATOM 154 CB ASP 72 -1.406 -5.479 -12.907 1.00 0.00 ATOM 155 CG ASP 72 -2.439 -5.953 -11.904 1.00 0.00 ATOM 156 OD1 ASP 72 -2.053 -6.627 -10.925 1.00 0.00 ATOM 157 OD2 ASP 72 -3.636 -5.649 -12.094 1.00 0.00 ATOM 158 O ASP 72 0.755 -5.073 -14.436 1.00 0.00 ATOM 159 C ASP 72 0.827 -4.531 -13.330 1.00 0.00 ATOM 160 N GLU 73 1.778 -3.659 -12.999 1.00 0.00 ATOM 161 CA GLU 73 2.834 -3.307 -13.931 1.00 0.00 ATOM 162 CB GLU 73 3.282 -4.539 -14.724 1.00 0.00 ATOM 163 CG GLU 73 3.937 -5.617 -13.876 1.00 0.00 ATOM 164 CD GLU 73 4.373 -6.815 -14.696 1.00 0.00 ATOM 165 OE1 GLU 73 5.253 -6.651 -15.566 1.00 0.00 ATOM 166 OE2 GLU 73 3.835 -7.919 -14.465 1.00 0.00 ATOM 167 O GLU 73 3.317 -1.772 -15.703 1.00 0.00 ATOM 168 C GLU 73 2.460 -2.261 -14.961 1.00 0.00 ATOM 169 N ASN 74 1.181 -1.901 -15.009 1.00 0.00 ATOM 170 CA ASN 74 0.724 -0.909 -15.979 1.00 0.00 ATOM 171 CB ASN 74 -0.524 -1.410 -16.711 1.00 0.00 ATOM 172 CG ASN 74 -0.239 -2.612 -17.589 1.00 0.00 ATOM 173 ND2 ASN 74 -1.251 -3.450 -17.787 1.00 0.00 ATOM 174 OD1 ASN 74 0.876 -2.783 -18.082 1.00 0.00 ATOM 175 O ASN 74 -0.257 0.459 -14.283 1.00 0.00 ATOM 176 C ASN 74 0.365 0.420 -15.341 1.00 0.00 ATOM 177 N ASN 75 0.744 1.500 -16.017 1.00 0.00 ATOM 178 CA ASN 75 0.450 2.865 -15.577 1.00 0.00 ATOM 179 CB ASN 75 1.232 3.879 -16.415 1.00 0.00 ATOM 180 CG ASN 75 1.096 5.295 -15.893 1.00 0.00 ATOM 181 ND2 ASN 75 2.074 6.136 -16.208 1.00 0.00 ATOM 182 OD1 ASN 75 0.123 5.627 -15.216 1.00 0.00 ATOM 183 O ASN 75 -1.594 2.979 -16.843 1.00 0.00 ATOM 184 C ASN 75 -1.057 3.112 -15.745 1.00 0.00 ATOM 185 N GLU 76 -1.734 3.492 -14.663 1.00 0.00 ATOM 186 CA GLU 76 -3.186 3.685 -14.701 1.00 0.00 ATOM 187 CB GLU 76 -3.877 2.754 -13.704 1.00 0.00 ATOM 188 CG GLU 76 -3.629 1.275 -13.960 1.00 0.00 ATOM 189 CD GLU 76 -4.365 0.764 -15.183 1.00 0.00 ATOM 190 OE1 GLU 76 -5.242 1.492 -15.696 1.00 0.00 ATOM 191 OE2 GLU 76 -4.067 -0.364 -15.626 1.00 0.00 ATOM 192 O GLU 76 -3.061 5.832 -13.649 1.00 0.00 ATOM 193 C GLU 76 -3.703 5.083 -14.365 1.00 0.00 ATOM 194 N GLU 77 -4.883 5.409 -14.878 1.00 0.00 ATOM 195 CA GLU 77 -5.536 6.687 -14.624 1.00 0.00 ATOM 196 CB GLU 77 -6.088 7.273 -15.925 1.00 0.00 ATOM 197 CG GLU 77 -5.020 7.660 -16.934 1.00 0.00 ATOM 198 CD GLU 77 -5.599 8.305 -18.178 1.00 0.00 ATOM 199 OE1 GLU 77 -6.841 8.398 -18.276 1.00 0.00 ATOM 200 OE2 GLU 77 -4.812 8.719 -19.054 1.00 0.00 ATOM 201 O GLU 77 -7.456 5.516 -13.748 1.00 0.00 ATOM 202 C GLU 77 -6.693 6.489 -13.640 1.00 0.00 ATOM 203 N PHE 78 -6.805 7.413 -12.684 1.00 0.00 ATOM 204 CA PHE 78 -7.864 7.394 -11.677 1.00 0.00 ATOM 205 CB PHE 78 -7.316 6.912 -10.331 1.00 0.00 ATOM 206 CG PHE 78 -6.763 5.516 -10.368 1.00 0.00 ATOM 207 CD1 PHE 78 -5.417 5.296 -10.603 1.00 0.00 ATOM 208 CD2 PHE 78 -7.588 4.423 -10.168 1.00 0.00 ATOM 209 CE1 PHE 78 -4.909 4.011 -10.636 1.00 0.00 ATOM 210 CE2 PHE 78 -7.081 3.139 -10.201 1.00 0.00 ATOM 211 CZ PHE 78 -5.746 2.930 -10.434 1.00 0.00 ATOM 212 O PHE 78 -7.763 9.792 -11.649 1.00 0.00 ATOM 213 C PHE 78 -8.452 8.789 -11.479 1.00 0.00 ATOM 214 N TYR 79 -9.731 8.844 -11.113 1.00 0.00 ATOM 215 CA TYR 79 -10.420 10.107 -10.861 1.00 0.00 ATOM 216 CB TYR 79 -11.450 10.385 -11.957 1.00 0.00 ATOM 217 CG TYR 79 -12.573 9.374 -12.014 1.00 0.00 ATOM 218 CD1 TYR 79 -13.755 9.582 -11.315 1.00 0.00 ATOM 219 CD2 TYR 79 -12.447 8.211 -12.766 1.00 0.00 ATOM 220 CE1 TYR 79 -14.785 8.663 -11.359 1.00 0.00 ATOM 221 CE2 TYR 79 -13.467 7.281 -12.824 1.00 0.00 ATOM 222 CZ TYR 79 -14.643 7.517 -12.111 1.00 0.00 ATOM 223 OH TYR 79 -15.668 6.600 -12.158 1.00 0.00 ATOM 224 O TYR 79 -11.567 8.954 -9.118 1.00 0.00 ATOM 225 C TYR 79 -11.127 10.023 -9.522 1.00 0.00 ATOM 226 N GLU 80 -11.242 11.157 -8.843 1.00 0.00 ATOM 227 CA GLU 80 -11.894 11.209 -7.544 1.00 0.00 ATOM 228 CB GLU 80 -10.929 10.770 -6.442 1.00 0.00 ATOM 229 CG GLU 80 -11.563 10.677 -5.064 1.00 0.00 ATOM 230 CD GLU 80 -10.617 10.106 -4.025 1.00 0.00 ATOM 231 OE1 GLU 80 -9.558 10.721 -3.783 1.00 0.00 ATOM 232 OE2 GLU 80 -10.936 9.042 -3.452 1.00 0.00 ATOM 233 O GLU 80 -11.632 13.595 -7.522 1.00 0.00 ATOM 234 C GLU 80 -12.358 12.633 -7.251 1.00 0.00 ATOM 235 N VAL 81 -13.571 12.768 -6.721 1.00 0.00 ATOM 236 CA VAL 81 -14.107 14.078 -6.356 1.00 0.00 ATOM 237 CB VAL 81 -15.563 14.244 -6.828 1.00 0.00 ATOM 238 CG1 VAL 81 -16.113 15.593 -6.394 1.00 0.00 ATOM 239 CG2 VAL 81 -15.645 14.156 -8.344 1.00 0.00 ATOM 240 O VAL 81 -14.535 13.283 -4.129 1.00 0.00 ATOM 241 C VAL 81 -14.038 14.164 -4.838 1.00 0.00 ATOM 242 N GLU 82 -13.404 15.213 -4.339 1.00 0.00 ATOM 243 CA GLU 82 -13.270 15.404 -2.907 1.00 0.00 ATOM 244 CB GLU 82 -11.834 15.793 -2.549 1.00 0.00 ATOM 245 CG GLU 82 -11.591 15.968 -1.059 1.00 0.00 ATOM 246 CD GLU 82 -10.157 16.348 -0.743 1.00 0.00 ATOM 247 OE1 GLU 82 -9.358 16.490 -1.691 1.00 0.00 ATOM 248 OE2 GLU 82 -9.835 16.503 0.454 1.00 0.00 ATOM 249 O GLU 82 -14.145 17.617 -2.997 1.00 0.00 ATOM 250 C GLU 82 -14.216 16.511 -2.489 1.00 0.00 ATOM 251 N PHE 83 -15.106 16.214 -1.556 1.00 0.00 ATOM 252 CA PHE 83 -16.044 17.220 -1.108 1.00 0.00 ATOM 253 CB PHE 83 -17.348 16.569 -0.644 1.00 0.00 ATOM 254 CG PHE 83 -18.151 15.960 -1.758 1.00 0.00 ATOM 255 CD1 PHE 83 -18.082 14.602 -2.018 1.00 0.00 ATOM 256 CD2 PHE 83 -18.976 16.744 -2.543 1.00 0.00 ATOM 257 CE1 PHE 83 -18.820 14.041 -3.043 1.00 0.00 ATOM 258 CE2 PHE 83 -19.716 16.184 -3.568 1.00 0.00 ATOM 259 CZ PHE 83 -19.640 14.838 -3.820 1.00 0.00 ATOM 260 O PHE 83 -14.931 17.518 1.005 1.00 0.00 ATOM 261 C PHE 83 -15.506 18.043 0.059 1.00 0.00 ATOM 262 N GLU 84 -15.703 19.350 -0.033 1.00 0.00 ATOM 263 CA GLU 84 -15.264 20.300 0.977 1.00 0.00 ATOM 264 CB GLU 84 -15.533 21.734 0.518 1.00 0.00 ATOM 265 CG GLU 84 -15.020 22.799 1.473 1.00 0.00 ATOM 266 CD GLU 84 -15.256 24.205 0.959 1.00 0.00 ATOM 267 OE1 GLU 84 -15.795 24.346 -0.159 1.00 0.00 ATOM 268 OE2 GLU 84 -14.904 25.166 1.675 1.00 0.00 ATOM 269 O GLU 84 -17.275 19.897 2.238 1.00 0.00 ATOM 270 C GLU 84 -16.050 20.011 2.269 1.00 0.00 ATOM 271 N ILE 85 -15.337 19.875 3.390 1.00 0.00 ATOM 272 CA ILE 85 -15.947 19.599 4.701 1.00 0.00 ATOM 273 CB ILE 85 -15.553 18.204 5.223 1.00 0.00 ATOM 274 CG1 ILE 85 -14.036 18.108 5.399 1.00 0.00 ATOM 275 CG2 ILE 85 -15.995 17.126 4.247 1.00 0.00 ATOM 276 CD1 ILE 85 -13.585 16.879 6.156 1.00 0.00 ATOM 277 O ILE 85 -15.936 20.719 6.841 1.00 0.00 ATOM 278 C ILE 85 -15.476 20.638 5.699 1.00 0.00 ATOM 279 N GLY 86 -14.524 21.424 5.249 1.00 0.00 ATOM 280 CA GLY 86 -13.989 22.434 6.107 1.00 0.00 ATOM 281 O GLY 86 -12.698 22.929 4.141 1.00 0.00 ATOM 282 C GLY 86 -13.081 23.274 5.262 1.00 0.00 ATOM 283 N ASP 87 -12.737 24.415 5.813 1.00 0.00 ATOM 284 CA ASP 87 -11.863 25.317 5.124 1.00 0.00 ATOM 285 CB ASP 87 -11.811 26.666 5.844 1.00 0.00 ATOM 286 CG ASP 87 -11.140 27.743 5.015 1.00 0.00 ATOM 287 OD1 ASP 87 -10.897 27.502 3.814 1.00 0.00 ATOM 288 OD2 ASP 87 -10.856 28.828 5.567 1.00 0.00 ATOM 289 O ASP 87 -9.814 24.559 6.149 1.00 0.00 ATOM 290 C ASP 87 -10.482 24.668 5.115 1.00 0.00 ATOM 294 N LYS 101 -12.890 12.119 0.768 1.00 0.00 ATOM 295 CA LYS 101 -12.914 11.283 -0.426 1.00 0.00 ATOM 296 CB LYS 101 -11.621 11.451 -1.225 1.00 0.00 ATOM 297 CG LYS 101 -11.460 12.819 -1.865 1.00 0.00 ATOM 298 CD LYS 101 -10.251 12.860 -2.787 1.00 0.00 ATOM 299 CE LYS 101 -8.954 12.866 -1.994 1.00 0.00 ATOM 300 NZ LYS 101 -7.762 12.927 -2.884 1.00 0.00 ATOM 301 O LYS 101 -12.482 9.288 0.836 1.00 0.00 ATOM 302 C LYS 101 -13.057 9.801 -0.121 1.00 0.00 ATOM 303 N ILE 102 -13.830 9.118 -0.949 1.00 0.00 ATOM 304 CA ILE 102 -13.992 7.693 -0.808 1.00 0.00 ATOM 305 CB ILE 102 -15.429 7.252 -1.140 1.00 0.00 ATOM 306 CG1 ILE 102 -16.425 7.922 -0.191 1.00 0.00 ATOM 307 CG2 ILE 102 -15.570 5.744 -1.001 1.00 0.00 ATOM 308 CD1 ILE 102 -17.872 7.719 -0.581 1.00 0.00 ATOM 309 O ILE 102 -13.043 7.385 -3.014 1.00 0.00 ATOM 310 C ILE 102 -12.983 7.102 -1.808 1.00 0.00 ATOM 311 N GLN 103 -12.034 6.320 -1.298 1.00 0.00 ATOM 312 CA GLN 103 -11.019 5.682 -2.133 1.00 0.00 ATOM 313 CB GLN 103 -10.039 6.725 -2.675 1.00 0.00 ATOM 314 CG GLN 103 -8.974 6.154 -3.597 1.00 0.00 ATOM 315 CD GLN 103 -8.107 7.230 -4.222 1.00 0.00 ATOM 316 OE1 GLN 103 -8.286 8.418 -3.954 1.00 0.00 ATOM 317 NE2 GLN 103 -7.164 6.815 -5.060 1.00 0.00 ATOM 318 O GLN 103 -9.527 5.091 -0.382 1.00 0.00 ATOM 319 C GLN 103 -10.302 4.693 -1.253 1.00 0.00 ATOM 320 N ALA 104 -10.536 3.405 -1.478 1.00 0.00 ATOM 321 CA ALA 104 -9.907 2.406 -0.635 1.00 0.00 ATOM 322 CB ALA 104 -8.397 2.430 -0.816 1.00 0.00 ATOM 323 O ALA 104 -9.432 2.655 1.710 1.00 0.00 ATOM 324 C ALA 104 -10.267 2.742 0.807 1.00 0.00 ATOM 325 N THR 105 -11.531 3.137 0.993 1.00 0.00 ATOM 326 CA THR 105 -12.046 3.507 2.300 1.00 0.00 ATOM 327 CB THR 105 -10.990 3.305 3.402 1.00 0.00 ATOM 328 CG2 THR 105 -10.532 1.856 3.443 1.00 0.00 ATOM 329 OG1 THR 105 -9.857 4.143 3.138 1.00 0.00 ATOM 330 O THR 105 -12.639 5.603 1.319 1.00 0.00 ATOM 331 C THR 105 -12.477 4.967 2.357 1.00 0.00 ATOM 332 N ILE 106 -12.684 5.493 3.562 1.00 0.00 ATOM 333 CA ILE 106 -13.065 6.885 3.730 1.00 0.00 ATOM 334 CB ILE 106 -14.071 7.060 4.883 1.00 0.00 ATOM 335 CG1 ILE 106 -15.358 6.286 4.588 1.00 0.00 ATOM 336 CG2 ILE 106 -14.423 8.528 5.063 1.00 0.00 ATOM 337 CD1 ILE 106 -16.303 6.203 5.768 1.00 0.00 ATOM 338 O ILE 106 -11.089 7.375 4.978 1.00 0.00 ATOM 339 C ILE 106 -11.819 7.678 4.037 1.00 0.00 ATOM 340 N LYS 107 -11.586 8.703 3.235 1.00 0.00 ATOM 341 CA LYS 107 -10.424 9.544 3.418 1.00 0.00 ATOM 342 CB LYS 107 -9.603 9.613 2.129 1.00 0.00 ATOM 343 CG LYS 107 -8.964 8.293 1.729 1.00 0.00 ATOM 344 CD LYS 107 -8.132 8.443 0.466 1.00 0.00 ATOM 345 CE LYS 107 -7.492 7.123 0.067 1.00 0.00 ATOM 346 NZ LYS 107 -6.666 7.256 -1.164 1.00 0.00 ATOM 347 O LYS 107 -11.838 11.468 3.334 1.00 0.00 ATOM 348 C LYS 107 -10.825 10.951 3.794 1.00 0.00 ATOM 349 N LYS 108 -10.025 11.555 4.653 1.00 0.00 ATOM 350 CA LYS 108 -10.251 12.915 5.082 1.00 0.00 ATOM 351 CB LYS 108 -10.909 12.940 6.464 1.00 0.00 ATOM 352 CG LYS 108 -12.303 12.333 6.498 1.00 0.00 ATOM 353 CD LYS 108 -12.865 12.322 7.911 1.00 0.00 ATOM 354 CE LYS 108 -14.256 11.711 7.945 1.00 0.00 ATOM 355 NZ LYS 108 -14.795 11.638 9.331 1.00 0.00 ATOM 356 O LYS 108 -7.995 13.010 5.838 1.00 0.00 ATOM 357 C LYS 108 -8.852 13.499 5.102 1.00 0.00 ATOM 358 N LYS 109 -8.608 14.523 4.288 1.00 0.00 ATOM 359 CA LYS 109 -7.282 15.136 4.246 1.00 0.00 ATOM 360 CB LYS 109 -6.619 14.887 2.889 1.00 0.00 ATOM 361 CG LYS 109 -7.354 15.513 1.716 1.00 0.00 ATOM 362 CD LYS 109 -6.627 15.254 0.406 1.00 0.00 ATOM 363 CE LYS 109 -6.509 13.764 0.128 1.00 0.00 ATOM 364 NZ LYS 109 -5.845 13.495 -1.178 1.00 0.00 ATOM 365 O LYS 109 -8.314 17.288 4.140 1.00 0.00 ATOM 366 C LYS 109 -7.322 16.637 4.459 1.00 0.00 ATOM 367 N ARG 110 -6.241 17.185 5.004 1.00 0.00 ATOM 368 CA ARG 110 -6.179 18.616 5.242 1.00 0.00 ATOM 369 CB ARG 110 -6.155 18.907 6.743 1.00 0.00 ATOM 370 CG ARG 110 -7.434 18.527 7.471 1.00 0.00 ATOM 371 CD ARG 110 -7.343 18.849 8.955 1.00 0.00 ATOM 372 NE ARG 110 -8.546 18.444 9.677 1.00 0.00 ATOM 373 CZ ARG 110 -8.692 18.535 10.995 1.00 0.00 ATOM 374 NH1 ARG 110 -9.823 18.144 11.565 1.00 0.00 ATOM 375 NH2 ARG 110 -7.707 19.019 11.740 1.00 0.00 ATOM 376 O ARG 110 -3.837 18.636 4.695 1.00 0.00 ATOM 377 C ARG 110 -4.927 19.211 4.620 1.00 0.00 ATOM 378 N TRP 111 -5.093 20.366 3.999 1.00 0.00 ATOM 379 CA TRP 111 -3.981 21.053 3.363 1.00 0.00 ATOM 380 CB TRP 111 -4.488 21.985 2.261 1.00 0.00 ATOM 381 CG TRP 111 -5.045 21.261 1.073 1.00 0.00 ATOM 382 CD1 TRP 111 -5.335 19.930 0.986 1.00 0.00 ATOM 383 CD2 TRP 111 -5.379 21.830 -0.199 1.00 0.00 ATOM 384 CE2 TRP 111 -5.867 20.785 -1.008 1.00 0.00 ATOM 385 CE3 TRP 111 -5.315 23.120 -0.733 1.00 0.00 ATOM 386 NE1 TRP 111 -5.831 19.633 -0.261 1.00 0.00 ATOM 387 CZ2 TRP 111 -6.288 20.991 -2.321 1.00 0.00 ATOM 388 CZ3 TRP 111 -5.733 23.319 -2.035 1.00 0.00 ATOM 389 CH2 TRP 111 -6.213 22.263 -2.817 1.00 0.00 ATOM 390 O TRP 111 -3.825 22.823 4.951 1.00 0.00 ATOM 391 C TRP 111 -3.262 21.860 4.426 1.00 0.00 ATOM 392 N VAL 112 -2.026 21.490 4.754 1.00 0.00 ATOM 393 CA VAL 112 -1.286 22.244 5.771 1.00 0.00 ATOM 394 CB VAL 112 -0.180 21.388 6.415 1.00 0.00 ATOM 395 CG1 VAL 112 0.659 22.228 7.366 1.00 0.00 ATOM 396 CG2 VAL 112 -0.788 20.236 7.201 1.00 0.00 ATOM 397 O VAL 112 -0.726 24.577 5.754 1.00 0.00 ATOM 398 C VAL 112 -0.603 23.487 5.205 1.00 0.00 ATOM 399 N TYR 113 0.117 23.330 4.100 1.00 0.00 ATOM 400 CA TYR 113 0.835 24.454 3.493 1.00 0.00 ATOM 401 CB TYR 113 2.340 24.321 3.731 1.00 0.00 ATOM 402 CG TYR 113 3.157 25.443 3.132 1.00 0.00 ATOM 403 CD1 TYR 113 3.174 26.702 3.720 1.00 0.00 ATOM 404 CD2 TYR 113 3.909 25.240 1.982 1.00 0.00 ATOM 405 CE1 TYR 113 3.919 27.733 3.179 1.00 0.00 ATOM 406 CE2 TYR 113 4.659 26.260 1.428 1.00 0.00 ATOM 407 CZ TYR 113 4.659 27.513 2.037 1.00 0.00 ATOM 408 OH TYR 113 5.399 28.539 1.497 1.00 0.00 ATOM 409 O TYR 113 0.825 23.591 1.255 1.00 0.00 ATOM 410 C TYR 113 0.644 24.573 1.993 1.00 0.00 ATOM 411 N LYS 114 0.308 25.771 1.526 1.00 0.00 ATOM 412 CA LYS 114 0.136 25.940 0.096 1.00 0.00 ATOM 413 CB LYS 114 -1.351 25.991 -0.261 1.00 0.00 ATOM 414 CG LYS 114 -1.630 26.037 -1.754 1.00 0.00 ATOM 415 CD LYS 114 -3.118 25.923 -2.042 1.00 0.00 ATOM 416 CE LYS 114 -3.398 26.000 -3.534 1.00 0.00 ATOM 417 NZ LYS 114 -4.849 25.847 -3.834 1.00 0.00 ATOM 418 O LYS 114 0.345 28.318 -0.184 1.00 0.00 ATOM 419 C LYS 114 0.737 27.195 -0.521 1.00 0.00 ATOM 420 N LEU 115 1.717 26.992 -1.399 1.00 0.00 ATOM 421 CA LEU 115 2.302 28.089 -2.153 1.00 0.00 ATOM 422 CB LEU 115 3.826 28.081 -2.011 1.00 0.00 ATOM 423 CG LEU 115 4.576 29.210 -2.721 1.00 0.00 ATOM 424 CD1 LEU 115 4.186 30.562 -2.143 1.00 0.00 ATOM 425 CD2 LEU 115 6.080 29.041 -2.559 1.00 0.00 ATOM 426 O LEU 115 2.428 26.913 -4.244 1.00 0.00 ATOM 427 C LEU 115 1.814 27.725 -3.542 1.00 0.00 ATOM 428 N ASN 116 0.678 28.308 -3.904 1.00 0.00 ATOM 429 CA ASN 116 0.019 28.072 -5.177 1.00 0.00 ATOM 430 CB ASN 116 -0.952 29.209 -5.497 1.00 0.00 ATOM 431 CG ASN 116 -1.722 28.973 -6.782 1.00 0.00 ATOM 432 ND2 ASN 116 -2.626 28.001 -6.758 1.00 0.00 ATOM 433 OD1 ASN 116 -1.506 29.659 -7.782 1.00 0.00 ATOM 434 O ASN 116 0.704 27.252 -7.324 1.00 0.00 ATOM 435 C ASN 116 0.964 27.969 -6.361 1.00 0.00 ATOM 436 N GLY 117 2.072 28.686 -6.265 1.00 0.00 ATOM 437 CA GLY 117 3.063 28.724 -7.319 1.00 0.00 ATOM 438 O GLY 117 4.334 27.002 -8.383 1.00 0.00 ATOM 439 C GLY 117 3.997 27.525 -7.329 1.00 0.00 ATOM 440 N VAL 118 2.511 22.111 -2.326 1.00 0.00 ATOM 441 CA VAL 118 1.474 21.883 -1.351 1.00 0.00 ATOM 442 CB VAL 118 0.112 21.630 -2.022 1.00 0.00 ATOM 443 CG1 VAL 118 -0.905 21.149 -1.000 1.00 0.00 ATOM 444 CG2 VAL 118 -0.412 22.907 -2.660 1.00 0.00 ATOM 445 O VAL 118 2.559 19.773 -1.057 1.00 0.00 ATOM 446 C VAL 118 1.882 20.662 -0.545 1.00 0.00 ATOM 447 N THR 119 1.488 20.635 0.720 1.00 0.00 ATOM 448 CA THR 119 1.757 19.501 1.594 1.00 0.00 ATOM 449 CB THR 119 2.922 19.796 2.558 1.00 0.00 ATOM 450 CG2 THR 119 3.216 18.583 3.426 1.00 0.00 ATOM 451 OG1 THR 119 4.097 20.123 1.804 1.00 0.00 ATOM 452 O THR 119 -0.069 20.173 3.004 1.00 0.00 ATOM 453 C THR 119 0.463 19.266 2.379 1.00 0.00 ATOM 454 N LEU 120 -0.072 18.053 2.306 1.00 0.00 ATOM 455 CA LEU 120 -1.317 17.761 2.991 1.00 0.00 ATOM 456 CB LEU 120 -2.444 17.531 1.981 1.00 0.00 ATOM 457 CG LEU 120 -2.202 16.443 0.933 1.00 0.00 ATOM 458 CD1 LEU 120 -2.441 15.063 1.526 1.00 0.00 ATOM 459 CD2 LEU 120 -3.141 16.619 -0.252 1.00 0.00 ATOM 460 O LEU 120 -0.422 15.673 3.681 1.00 0.00 ATOM 461 C LEU 120 -1.262 16.539 3.857 1.00 0.00 ATOM 462 N GLU 121 -2.185 16.490 4.800 1.00 0.00 ATOM 463 CA GLU 121 -2.253 15.395 5.735 1.00 0.00 ATOM 464 CB GLU 121 -2.222 15.917 7.174 1.00 0.00 ATOM 465 CG GLU 121 -0.912 16.582 7.564 1.00 0.00 ATOM 466 CD GLU 121 -0.903 17.046 9.008 1.00 0.00 ATOM 467 OE1 GLU 121 -1.922 16.848 9.702 1.00 0.00 ATOM 468 OE2 GLU 121 0.124 17.608 9.444 1.00 0.00 ATOM 469 O GLU 121 -4.614 15.263 5.387 1.00 0.00 ATOM 470 C GLU 121 -3.555 14.652 5.484 1.00 0.00 ATOM 471 N VAL 122 -3.461 13.334 5.357 1.00 0.00 ATOM 472 CA VAL 122 -4.629 12.499 5.123 1.00 0.00 ATOM 473 CB VAL 122 -4.637 11.924 3.695 1.00 0.00 ATOM 474 CG1 VAL 122 -3.423 11.035 3.472 1.00 0.00 ATOM 475 CG2 VAL 122 -5.890 11.095 3.461 1.00 0.00 ATOM 476 O VAL 122 -3.691 10.759 6.509 1.00 0.00 ATOM 477 C VAL 122 -4.705 11.306 6.076 1.00 0.00 ATOM 478 N ASN 123 -5.930 10.907 6.395 1.00 0.00 ATOM 479 CA ASN 123 -6.165 9.750 7.251 1.00 0.00 ATOM 480 CB ASN 123 -6.696 10.192 8.615 1.00 0.00 ATOM 481 CG ASN 123 -5.729 11.096 9.353 1.00 0.00 ATOM 482 ND2 ASN 123 -6.068 12.378 9.439 1.00 0.00 ATOM 483 OD1 ASN 123 -4.690 10.647 9.837 1.00 0.00 ATOM 484 O ASN 123 -8.209 9.357 6.044 1.00 0.00 ATOM 485 C ASN 123 -7.197 8.873 6.538 1.00 0.00 ATOM 486 N ARG 124 -6.904 7.581 6.461 1.00 0.00 ATOM 487 CA ARG 124 -7.781 6.616 5.812 1.00 0.00 ATOM 488 CB ARG 124 -6.984 5.731 4.852 1.00 0.00 ATOM 489 CG ARG 124 -6.415 6.470 3.654 1.00 0.00 ATOM 490 CD ARG 124 -5.683 5.524 2.716 1.00 0.00 ATOM 491 NE ARG 124 -5.150 6.215 1.544 1.00 0.00 ATOM 492 CZ ARG 124 -4.489 5.616 0.559 1.00 0.00 ATOM 493 NH1 ARG 124 -4.041 6.327 -0.466 1.00 0.00 ATOM 494 NH2 ARG 124 -4.281 4.308 0.601 1.00 0.00 ATOM 495 O ARG 124 -7.775 5.362 7.853 1.00 0.00 ATOM 496 C ARG 124 -8.428 5.745 6.885 1.00 0.00 ATOM 497 N VAL 125 -9.709 5.440 6.722 1.00 0.00 ATOM 498 CA VAL 125 -10.405 4.594 7.681 1.00 0.00 ATOM 499 CB VAL 125 -11.383 5.409 8.547 1.00 0.00 ATOM 500 CG1 VAL 125 -12.123 4.498 9.515 1.00 0.00 ATOM 501 CG2 VAL 125 -10.635 6.460 9.351 1.00 0.00 ATOM 502 O VAL 125 -12.035 3.696 6.146 1.00 0.00 ATOM 503 C VAL 125 -11.243 3.471 7.061 1.00 0.00 ATOM 504 N GLU 126 -11.045 2.261 7.568 1.00 0.00 ATOM 505 CA GLU 126 -11.796 1.101 7.139 1.00 0.00 ATOM 506 CB GLU 126 -10.931 0.196 6.260 1.00 0.00 ATOM 507 CG GLU 126 -11.662 -1.016 5.708 1.00 0.00 ATOM 508 CD GLU 126 -10.761 -1.914 4.882 1.00 0.00 ATOM 509 OE1 GLU 126 -9.549 -1.620 4.794 1.00 0.00 ATOM 510 OE2 GLU 126 -11.265 -2.910 4.324 1.00 0.00 ATOM 511 O GLU 126 -11.374 -0.255 9.036 1.00 0.00 ATOM 512 C GLU 126 -12.200 0.397 8.407 1.00 0.00 ATOM 513 N GLY 127 -13.469 0.529 8.783 1.00 0.00 ATOM 514 CA GLY 127 -13.930 -0.082 10.011 1.00 0.00 ATOM 515 O GLY 127 -13.031 1.766 11.245 1.00 0.00 ATOM 516 C GLY 127 -13.122 0.537 11.138 1.00 0.00 ATOM 517 N ILE 128 -12.512 -0.301 11.974 1.00 0.00 ATOM 518 CA ILE 128 -11.696 0.197 13.084 1.00 0.00 ATOM 519 CB ILE 128 -11.814 -0.711 14.322 1.00 0.00 ATOM 520 CG1 ILE 128 -11.287 -2.112 14.008 1.00 0.00 ATOM 521 CG2 ILE 128 -13.266 -0.830 14.760 1.00 0.00 ATOM 522 CD1 ILE 128 -11.172 -3.009 15.221 1.00 0.00 ATOM 523 O ILE 128 -9.364 0.497 13.586 1.00 0.00 ATOM 524 C ILE 128 -10.207 0.269 12.720 1.00 0.00 ATOM 525 N GLY 129 -9.885 0.082 11.439 1.00 0.00 ATOM 526 CA GLY 129 -8.501 0.151 10.972 1.00 0.00 ATOM 527 O GLY 129 -9.072 1.968 9.514 1.00 0.00 ATOM 528 C GLY 129 -8.270 1.517 10.338 1.00 0.00 ATOM 529 N ASP 130 -7.186 2.177 10.740 1.00 0.00 ATOM 530 CA ASP 130 -6.846 3.497 10.225 1.00 0.00 ATOM 531 CB ASP 130 -7.255 4.584 11.222 1.00 0.00 ATOM 532 CG ASP 130 -6.531 4.461 12.548 1.00 0.00 ATOM 533 OD1 ASP 130 -5.635 3.598 12.656 1.00 0.00 ATOM 534 OD2 ASP 130 -6.857 5.228 13.476 1.00 0.00 ATOM 535 O ASP 130 -4.560 2.897 10.568 1.00 0.00 ATOM 536 C ASP 130 -5.351 3.623 9.978 1.00 0.00 ATOM 537 N PHE 131 -4.965 4.531 9.087 1.00 0.00 ATOM 538 CA PHE 131 -3.548 4.783 8.830 1.00 0.00 ATOM 539 CB PHE 131 -3.029 3.848 7.736 1.00 0.00 ATOM 540 CG PHE 131 -3.140 2.390 8.080 1.00 0.00 ATOM 541 CD1 PHE 131 -4.240 1.652 7.679 1.00 0.00 ATOM 542 CD2 PHE 131 -2.146 1.758 8.806 1.00 0.00 ATOM 543 CE1 PHE 131 -4.341 0.310 7.997 1.00 0.00 ATOM 544 CE2 PHE 131 -2.248 0.417 9.123 1.00 0.00 ATOM 545 CZ PHE 131 -3.340 -0.306 8.722 1.00 0.00 ATOM 546 O PHE 131 -4.248 6.912 7.948 1.00 0.00 ATOM 547 C PHE 131 -3.317 6.229 8.370 1.00 0.00 ATOM 548 N VAL 132 -2.072 6.683 8.479 1.00 0.00 ATOM 549 CA VAL 132 -1.688 8.052 8.162 1.00 0.00 ATOM 550 CB VAL 132 -0.783 8.650 9.255 1.00 0.00 ATOM 551 CG1 VAL 132 -1.525 8.727 10.580 1.00 0.00 ATOM 552 CG2 VAL 132 0.458 7.793 9.448 1.00 0.00 ATOM 553 O VAL 132 -0.172 7.359 6.453 1.00 0.00 ATOM 554 C VAL 132 -0.920 8.228 6.865 1.00 0.00 ATOM 555 N ASP 133 -1.075 9.386 6.242 1.00 0.00 ATOM 556 CA ASP 133 -0.402 9.654 4.978 1.00 0.00 ATOM 557 CB ASP 133 -1.296 9.258 3.800 1.00 0.00 ATOM 558 CG ASP 133 -0.539 9.206 2.487 1.00 0.00 ATOM 559 OD1 ASP 133 0.040 10.239 2.094 1.00 0.00 ATOM 560 OD2 ASP 133 -0.525 8.130 1.853 1.00 0.00 ATOM 561 O ASP 133 -0.895 12.014 5.109 1.00 0.00 ATOM 562 C ASP 133 -0.060 11.146 4.836 1.00 0.00 ATOM 563 N ILE 134 1.180 11.434 4.434 1.00 0.00 ATOM 564 CA ILE 134 1.644 12.809 4.200 1.00 0.00 ATOM 565 CB ILE 134 2.825 13.170 5.120 1.00 0.00 ATOM 566 CG1 ILE 134 2.405 13.078 6.588 1.00 0.00 ATOM 567 CG2 ILE 134 3.300 14.589 4.845 1.00 0.00 ATOM 568 CD1 ILE 134 3.558 13.194 7.562 1.00 0.00 ATOM 569 O ILE 134 2.820 12.063 2.246 1.00 0.00 ATOM 570 C ILE 134 2.091 12.924 2.750 1.00 0.00 ATOM 571 N GLU 135 1.675 13.990 2.082 1.00 0.00 ATOM 572 CA GLU 135 2.029 14.154 0.685 1.00 0.00 ATOM 573 CB GLU 135 0.797 13.982 -0.205 1.00 0.00 ATOM 574 CG GLU 135 0.185 12.590 -0.157 1.00 0.00 ATOM 575 CD GLU 135 -1.026 12.455 -1.058 1.00 0.00 ATOM 576 OE1 GLU 135 -1.418 13.464 -1.681 1.00 0.00 ATOM 577 OE2 GLU 135 -1.582 11.340 -1.142 1.00 0.00 ATOM 578 O GLU 135 2.274 16.495 1.013 1.00 0.00 ATOM 579 C GLU 135 2.610 15.507 0.377 1.00 0.00 ATOM 580 N VAL 136 3.482 15.527 -0.623 1.00 0.00 ATOM 581 CA VAL 136 4.140 16.737 -1.072 1.00 0.00 ATOM 582 CB VAL 136 5.631 16.745 -0.687 1.00 0.00 ATOM 583 CG1 VAL 136 6.302 18.016 -1.184 1.00 0.00 ATOM 584 CG2 VAL 136 5.791 16.676 0.824 1.00 0.00 ATOM 585 O VAL 136 4.616 15.988 -3.294 1.00 0.00 ATOM 586 C VAL 136 4.018 16.814 -2.585 1.00 0.00 ATOM 587 N ILE 137 3.240 17.780 -3.078 1.00 0.00 ATOM 588 CA ILE 137 3.085 17.958 -4.523 1.00 0.00 ATOM 589 CB ILE 137 1.603 18.104 -4.918 1.00 0.00 ATOM 590 CG1 ILE 137 0.988 19.326 -4.236 1.00 0.00 ATOM 591 CG2 ILE 137 0.818 16.871 -4.501 1.00 0.00 ATOM 592 CD1 ILE 137 -0.407 19.659 -4.722 1.00 0.00 ATOM 593 O ILE 137 4.029 20.129 -4.138 1.00 0.00 ATOM 594 C ILE 137 3.829 19.213 -4.940 1.00 0.00 ATOM 595 N SER 138 4.219 19.252 -6.210 1.00 0.00 ATOM 596 CA SER 138 4.923 20.404 -6.732 1.00 0.00 ATOM 597 CB SER 138 6.408 20.083 -6.923 1.00 0.00 ATOM 598 OG SER 138 7.025 19.771 -5.686 1.00 0.00 ATOM 599 O SER 138 3.879 20.017 -8.854 1.00 0.00 ATOM 600 C SER 138 4.369 20.842 -8.073 1.00 0.00 ATOM 601 N ASP 139 4.416 22.145 -8.342 1.00 0.00 ATOM 602 CA ASP 139 3.946 22.656 -9.618 1.00 0.00 ATOM 603 CB ASP 139 3.954 24.186 -9.618 1.00 0.00 ATOM 604 CG ASP 139 3.123 24.772 -10.742 1.00 0.00 ATOM 605 OD1 ASP 139 1.921 24.438 -10.828 1.00 0.00 ATOM 606 OD2 ASP 139 3.670 25.566 -11.536 1.00 0.00 ATOM 607 O ASP 139 4.602 22.080 -11.849 1.00 0.00 ATOM 608 C ASP 139 4.905 22.112 -10.662 1.00 0.00 ATOM 609 N SER 140 6.067 21.672 -10.195 1.00 0.00 ATOM 610 CA SER 140 7.083 21.096 -11.058 1.00 0.00 ATOM 611 CB SER 140 8.353 21.947 -11.032 1.00 0.00 ATOM 612 OG SER 140 8.951 21.934 -9.748 1.00 0.00 ATOM 613 O SER 140 7.093 19.277 -9.496 1.00 0.00 ATOM 614 C SER 140 7.442 19.688 -10.602 1.00 0.00 ATOM 615 N PRO 141 8.140 18.931 -11.456 1.00 0.00 ATOM 616 CA PRO 141 8.560 17.555 -11.186 1.00 0.00 ATOM 617 CB PRO 141 9.311 17.142 -12.453 1.00 0.00 ATOM 618 CG PRO 141 9.950 18.401 -12.937 1.00 0.00 ATOM 619 CD PRO 141 8.936 19.490 -12.728 1.00 0.00 ATOM 620 O PRO 141 9.602 16.267 -9.455 1.00 0.00 ATOM 621 C PRO 141 9.465 17.372 -9.977 1.00 0.00 ATOM 622 N GLU 142 15.936 20.651 -2.367 1.00 0.00 ATOM 623 CA GLU 142 16.262 19.770 -1.240 1.00 0.00 ATOM 624 CB GLU 142 17.714 19.297 -1.331 1.00 0.00 ATOM 625 CG GLU 142 18.141 18.382 -0.195 1.00 0.00 ATOM 626 CD GLU 142 19.372 17.567 -0.535 1.00 0.00 ATOM 627 OE1 GLU 142 20.049 17.900 -1.532 1.00 0.00 ATOM 628 OE2 GLU 142 19.663 16.595 0.195 1.00 0.00 ATOM 629 O GLU 142 16.516 19.816 1.139 1.00 0.00 ATOM 630 C GLU 142 16.110 20.404 0.135 1.00 0.00 ATOM 631 N GLU 143 15.532 21.600 0.181 1.00 0.00 ATOM 632 CA GLU 143 15.304 22.289 1.449 1.00 0.00 ATOM 633 CB GLU 143 15.416 23.804 1.264 1.00 0.00 ATOM 634 CG GLU 143 16.808 24.282 0.886 1.00 0.00 ATOM 635 CD GLU 143 16.880 25.786 0.712 1.00 0.00 ATOM 636 OE1 GLU 143 15.844 26.457 0.904 1.00 0.00 ATOM 637 OE2 GLU 143 17.974 26.294 0.386 1.00 0.00 ATOM 638 O GLU 143 13.684 21.515 3.056 1.00 0.00 ATOM 639 C GLU 143 13.895 21.907 1.900 1.00 0.00 ATOM 640 N ALA 144 12.937 22.014 0.975 1.00 0.00 ATOM 641 CA ALA 144 11.547 21.661 1.249 1.00 0.00 ATOM 642 CB ALA 144 10.678 21.947 0.035 1.00 0.00 ATOM 643 O ALA 144 10.722 19.751 2.440 1.00 0.00 ATOM 644 C ALA 144 11.488 20.177 1.582 1.00 0.00 ATOM 645 N LYS 145 12.309 19.388 0.900 1.00 0.00 ATOM 646 CA LYS 145 12.369 17.957 1.162 1.00 0.00 ATOM 647 CB LYS 145 13.588 17.338 0.474 1.00 0.00 ATOM 648 CG LYS 145 13.483 17.283 -1.041 1.00 0.00 ATOM 649 CD LYS 145 14.712 16.631 -1.656 1.00 0.00 ATOM 650 CE LYS 145 14.598 16.553 -3.169 1.00 0.00 ATOM 651 NZ LYS 145 15.819 15.966 -3.789 1.00 0.00 ATOM 652 O LYS 145 11.679 17.059 3.273 1.00 0.00 ATOM 653 C LYS 145 12.473 17.772 2.668 1.00 0.00 ATOM 654 N GLU 146 13.454 18.434 3.268 1.00 0.00 ATOM 655 CA GLU 146 13.680 18.348 4.703 1.00 0.00 ATOM 656 CB GLU 146 14.956 19.098 5.092 1.00 0.00 ATOM 657 CG GLU 146 16.237 18.429 4.620 1.00 0.00 ATOM 658 CD GLU 146 17.472 19.246 4.942 1.00 0.00 ATOM 659 OE1 GLU 146 17.323 20.364 5.477 1.00 0.00 ATOM 660 OE2 GLU 146 18.591 18.768 4.658 1.00 0.00 ATOM 661 O GLU 146 12.168 18.487 6.562 1.00 0.00 ATOM 662 C GLU 146 12.522 18.954 5.475 1.00 0.00 ATOM 663 N LYS 147 11.943 20.006 4.911 1.00 0.00 ATOM 664 CA LYS 147 10.826 20.683 5.546 1.00 0.00 ATOM 665 CB LYS 147 10.323 21.828 4.666 1.00 0.00 ATOM 666 CG LYS 147 11.277 23.009 4.579 1.00 0.00 ATOM 667 CD LYS 147 10.715 24.109 3.693 1.00 0.00 ATOM 668 CE LYS 147 11.680 25.279 3.586 1.00 0.00 ATOM 669 NZ LYS 147 11.157 26.350 2.693 1.00 0.00 ATOM 670 O LYS 147 9.013 19.664 6.767 1.00 0.00 ATOM 671 C LYS 147 9.710 19.665 5.751 1.00 0.00 ATOM 672 N ILE 148 9.563 18.789 4.766 1.00 0.00 ATOM 673 CA ILE 148 8.558 17.740 4.793 1.00 0.00 ATOM 674 CB ILE 148 8.420 17.054 3.421 1.00 0.00 ATOM 675 CG1 ILE 148 7.939 18.055 2.370 1.00 0.00 ATOM 676 CG2 ILE 148 7.417 15.913 3.494 1.00 0.00 ATOM 677 CD1 ILE 148 6.591 18.666 2.679 1.00 0.00 ATOM 678 O ILE 148 8.063 16.210 6.584 1.00 0.00 ATOM 679 C ILE 148 8.919 16.658 5.821 1.00 0.00 ATOM 680 N TRP 149 10.190 16.248 5.841 1.00 0.00 ATOM 681 CA TRP 149 10.659 15.210 6.764 1.00 0.00 ATOM 682 CB TRP 149 12.175 15.040 6.653 1.00 0.00 ATOM 683 CG TRP 149 12.612 14.362 5.391 1.00 0.00 ATOM 684 CD1 TRP 149 11.812 13.749 4.471 1.00 0.00 ATOM 685 CD2 TRP 149 13.954 14.228 4.910 1.00 0.00 ATOM 686 CE2 TRP 149 13.893 13.522 3.692 1.00 0.00 ATOM 687 CE3 TRP 149 15.203 14.637 5.387 1.00 0.00 ATOM 688 NE1 TRP 149 12.573 13.240 3.446 1.00 0.00 ATOM 689 CZ2 TRP 149 15.030 13.216 2.946 1.00 0.00 ATOM 690 CZ3 TRP 149 16.329 14.331 4.645 1.00 0.00 ATOM 691 CH2 TRP 149 16.238 13.628 3.439 1.00 0.00 ATOM 692 O TRP 149 9.813 14.783 8.971 1.00 0.00 ATOM 693 C TRP 149 10.315 15.593 8.189 1.00 0.00 ATOM 694 N GLU 150 10.604 16.843 8.522 1.00 0.00 ATOM 695 CA GLU 150 10.319 17.351 9.845 1.00 0.00 ATOM 696 CB GLU 150 10.635 18.847 9.924 1.00 0.00 ATOM 697 CG GLU 150 10.405 19.458 11.296 1.00 0.00 ATOM 698 CD GLU 150 10.758 20.932 11.344 1.00 0.00 ATOM 699 OE1 GLU 150 11.200 21.471 10.308 1.00 0.00 ATOM 700 OE2 GLU 150 10.593 21.548 12.418 1.00 0.00 ATOM 701 O GLU 150 8.503 16.462 11.117 1.00 0.00 ATOM 702 C GLU 150 8.853 17.134 10.150 1.00 0.00 ATOM 703 N VAL 151 8.002 17.706 9.303 1.00 0.00 ATOM 704 CA VAL 151 6.557 17.600 9.458 1.00 0.00 ATOM 705 CB VAL 151 5.817 18.129 8.216 1.00 0.00 ATOM 706 CG1 VAL 151 4.331 17.817 8.310 1.00 0.00 ATOM 707 CG2 VAL 151 5.985 19.636 8.097 1.00 0.00 ATOM 708 O VAL 151 5.140 15.949 10.446 1.00 0.00 ATOM 709 C VAL 151 6.064 16.166 9.672 1.00 0.00 ATOM 710 N ALA 152 6.675 15.199 8.989 1.00 0.00 ATOM 711 CA ALA 152 6.294 13.790 9.143 1.00 0.00 ATOM 712 CB ALA 152 6.925 12.947 8.045 1.00 0.00 ATOM 713 O ALA 152 6.041 12.573 11.206 1.00 0.00 ATOM 714 C ALA 152 6.771 13.277 10.501 1.00 0.00 ATOM 715 N LYS 153 8.013 13.628 10.841 1.00 0.00 ATOM 716 CA LYS 153 8.647 13.266 12.122 1.00 0.00 ATOM 717 CB LYS 153 9.911 14.097 12.348 1.00 0.00 ATOM 718 CG LYS 153 10.654 13.760 13.630 1.00 0.00 ATOM 719 CD LYS 153 11.930 14.576 13.760 1.00 0.00 ATOM 720 CE LYS 153 12.647 14.274 15.065 1.00 0.00 ATOM 721 NZ LYS 153 13.911 15.051 15.196 1.00 0.00 ATOM 722 O LYS 153 7.554 12.689 14.185 1.00 0.00 ATOM 723 C LYS 153 7.699 13.515 13.275 1.00 0.00 ATOM 724 N MET 154 7.073 14.685 13.222 1.00 0.00 ATOM 725 CA MET 154 6.152 15.119 14.249 1.00 0.00 ATOM 726 CB MET 154 5.978 16.639 14.206 1.00 0.00 ATOM 727 CG MET 154 7.234 17.417 14.568 1.00 0.00 ATOM 728 SD MET 154 7.848 17.020 16.216 1.00 0.00 ATOM 729 CE MET 154 6.523 17.665 17.235 1.00 0.00 ATOM 730 O MET 154 3.872 14.893 14.951 1.00 0.00 ATOM 731 C MET 154 4.742 14.538 14.157 1.00 0.00 ATOM 732 N LEU 155 4.498 13.653 13.199 1.00 0.00 ATOM 733 CA LEU 155 3.177 13.062 13.104 1.00 0.00 ATOM 734 CB LEU 155 2.608 13.245 11.695 1.00 0.00 ATOM 735 CG LEU 155 2.417 14.688 11.224 1.00 0.00 ATOM 736 CD1 LEU 155 1.948 14.723 9.778 1.00 0.00 ATOM 737 CD2 LEU 155 1.378 15.399 12.078 1.00 0.00 ATOM 738 O LEU 155 2.189 10.930 13.549 1.00 0.00 ATOM 739 C LEU 155 3.226 11.581 13.403 1.00 0.00 ATOM 740 N GLY 156 4.437 11.048 13.501 1.00 0.00 ATOM 741 CA GLY 156 4.591 9.637 13.791 1.00 0.00 ATOM 742 O GLY 156 5.102 7.612 12.619 1.00 0.00 ATOM 743 C GLY 156 5.041 8.843 12.586 1.00 0.00 ATOM 744 N LEU 157 5.350 9.538 11.503 1.00 0.00 ATOM 745 CA LEU 157 5.801 8.839 10.323 1.00 0.00 ATOM 746 CB LEU 157 5.309 9.547 9.059 1.00 0.00 ATOM 747 CG LEU 157 5.705 8.911 7.726 1.00 0.00 ATOM 748 CD1 LEU 157 5.152 7.498 7.617 1.00 0.00 ATOM 749 CD2 LEU 157 5.165 9.724 6.559 1.00 0.00 ATOM 750 O LEU 157 7.976 9.832 10.105 1.00 0.00 ATOM 751 C LEU 157 7.317 8.826 10.349 1.00 0.00 ATOM 752 N LYS 158 7.856 7.665 10.676 1.00 0.00 ATOM 753 CA LYS 158 9.287 7.481 10.764 1.00 0.00 ATOM 754 CB LYS 158 9.620 6.029 11.112 1.00 0.00 ATOM 755 CG LYS 158 9.176 5.605 12.501 1.00 0.00 ATOM 756 CD LYS 158 9.560 4.163 12.789 1.00 0.00 ATOM 757 CE LYS 158 9.094 3.732 14.170 1.00 0.00 ATOM 758 NZ LYS 158 9.477 2.326 14.472 1.00 0.00 ATOM 759 O LYS 158 9.413 7.651 8.364 1.00 0.00 ATOM 760 C LYS 158 9.981 7.818 9.444 1.00 0.00 ATOM 761 N GLU 159 11.217 8.294 9.547 1.00 0.00 ATOM 762 CA GLU 159 11.990 8.684 8.384 1.00 0.00 ATOM 763 CB GLU 159 13.389 9.143 8.800 1.00 0.00 ATOM 764 CG GLU 159 13.414 10.478 9.527 1.00 0.00 ATOM 765 CD GLU 159 14.803 10.854 10.006 1.00 0.00 ATOM 766 OE1 GLU 159 15.733 10.038 9.832 1.00 0.00 ATOM 767 OE2 GLU 159 14.960 11.963 10.556 1.00 0.00 ATOM 768 O GLU 159 12.346 7.807 6.201 1.00 0.00 ATOM 769 C GLU 159 12.168 7.562 7.391 1.00 0.00 ATOM 770 N GLU 160 12.148 6.328 7.870 1.00 0.00 ATOM 771 CA GLU 160 12.308 5.212 6.952 1.00 0.00 ATOM 772 CB GLU 160 12.654 3.933 7.717 1.00 0.00 ATOM 773 CG GLU 160 14.023 3.956 8.376 1.00 0.00 ATOM 774 CD GLU 160 14.279 2.727 9.228 1.00 0.00 ATOM 775 OE1 GLU 160 13.371 1.876 9.332 1.00 0.00 ATOM 776 OE2 GLU 160 15.389 2.615 9.790 1.00 0.00 ATOM 777 O GLU 160 10.973 4.157 5.284 1.00 0.00 ATOM 778 C GLU 160 11.018 4.986 6.181 1.00 0.00 ATOM 779 N ASP 161 9.972 5.735 6.527 1.00 0.00 ATOM 780 CA ASP 161 8.671 5.598 5.878 1.00 0.00 ATOM 781 CB ASP 161 7.547 5.638 6.915 1.00 0.00 ATOM 782 CG ASP 161 7.615 4.481 7.892 1.00 0.00 ATOM 783 OD1 ASP 161 7.789 3.329 7.440 1.00 0.00 ATOM 784 OD2 ASP 161 7.495 4.725 9.112 1.00 0.00 ATOM 785 O ASP 161 7.217 6.794 4.389 1.00 0.00 ATOM 786 C ASP 161 8.348 6.689 4.858 1.00 0.00 ATOM 787 N VAL 162 9.345 7.497 4.515 1.00 0.00 ATOM 788 CA VAL 162 9.171 8.583 3.553 1.00 0.00 ATOM 789 CB VAL 162 9.880 9.869 4.021 1.00 0.00 ATOM 790 CG1 VAL 162 9.717 10.972 2.986 1.00 0.00 ATOM 791 CG2 VAL 162 9.290 10.353 5.337 1.00 0.00 ATOM 792 O VAL 162 10.950 7.952 2.057 1.00 0.00 ATOM 793 C VAL 162 9.749 8.210 2.183 1.00 0.00 ATOM 794 N GLU 163 8.891 8.175 1.160 1.00 0.00 ATOM 795 CA GLU 163 9.325 7.828 -0.194 1.00 0.00 ATOM 796 CB GLU 163 8.299 6.915 -0.868 1.00 0.00 ATOM 797 CG GLU 163 8.200 5.529 -0.250 1.00 0.00 ATOM 798 CD GLU 163 7.005 4.748 -0.761 1.00 0.00 ATOM 799 OE1 GLU 163 6.234 5.303 -1.569 1.00 0.00 ATOM 800 OE2 GLU 163 6.841 3.579 -0.350 1.00 0.00 ATOM 801 O GLU 163 8.713 9.964 -1.072 1.00 0.00 ATOM 802 C GLU 163 9.506 9.024 -1.105 1.00 0.00 TER END