PFRMAT TS TARGET T0277 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is try1-opt2, the result of fully automatic prediction. METHOD REMARK 6 REMARK 6 T0277 model 3 Sat Aug 14 13:44:33 2004 MODEL 3 PARENT 1jog_A 1o3u_A 1kny_A 1k04_A 1ufb_A REMARK 7 REMARK 7 ALLPARENTS 1jog_A 1o3u_A 1kny_A 1k04_A 1ufb_A 1vls 1rke_A REMARK 7 ALLPARENTS 1l3p_A 1s7z_A 1cxc 2cxb_A ATOM 1 N MET 1 -11.342 -1.503 5.909 1.00 0.00 ATOM 2 CA MET 1 -11.542 -2.905 5.518 1.00 0.00 ATOM 3 CB MET 1 -11.039 -3.180 4.111 1.00 0.00 ATOM 4 CG MET 1 -11.286 -4.616 3.678 1.00 0.00 ATOM 5 SD MET 1 -10.793 -4.975 1.987 1.00 0.00 ATOM 6 CE MET 1 -9.020 -4.834 2.122 1.00 0.00 ATOM 7 O MET 1 -9.659 -3.459 6.918 1.00 0.00 ATOM 8 C MET 1 -10.795 -3.767 6.521 1.00 0.00 ATOM 9 N ALA 2 -11.475 -4.838 6.891 1.00 0.00 ATOM 10 CA ALA 2 -10.885 -5.784 7.851 1.00 0.00 ATOM 11 CB ALA 2 -11.890 -6.878 8.206 1.00 0.00 ATOM 12 O ALA 2 -8.626 -6.454 8.023 1.00 0.00 ATOM 13 C ALA 2 -9.609 -6.400 7.261 1.00 0.00 ATOM 14 N SER 3 -9.576 -6.754 6.003 1.00 0.00 ATOM 15 CA SER 3 -8.363 -7.274 5.354 1.00 0.00 ATOM 16 CB SER 3 -8.667 -7.625 3.904 1.00 0.00 ATOM 17 OG SER 3 -9.515 -8.763 3.863 1.00 0.00 ATOM 18 O SER 3 -6.048 -6.575 5.661 1.00 0.00 ATOM 19 C SER 3 -7.218 -6.260 5.378 1.00 0.00 ATOM 20 N LEU 4 -7.531 -5.027 4.996 1.00 0.00 ATOM 21 CA LEU 4 -6.488 -3.971 5.015 1.00 0.00 ATOM 22 CB LEU 4 -7.098 -2.710 4.383 1.00 0.00 ATOM 23 CG LEU 4 -6.160 -1.486 4.415 1.00 0.00 ATOM 24 CD1 LEU 4 -4.896 -1.773 3.604 1.00 0.00 ATOM 25 CD2 LEU 4 -6.946 -0.324 3.838 1.00 0.00 ATOM 26 O LEU 4 -4.707 -3.596 6.585 1.00 0.00 ATOM 27 C LEU 4 -5.923 -3.710 6.408 1.00 0.00 ATOM 28 N ALA 5 -6.813 -3.684 7.417 1.00 0.00 ATOM 29 CA ALA 5 -6.372 -3.456 8.802 1.00 0.00 ATOM 30 CB ALA 5 -7.545 -3.347 9.720 1.00 0.00 ATOM 31 O ALA 5 -4.433 -4.318 9.873 1.00 0.00 ATOM 32 C ALA 5 -5.467 -4.591 9.265 1.00 0.00 ATOM 33 N ARG 6 -5.870 -5.833 9.018 1.00 0.00 ATOM 34 CA ARG 6 -5.065 -6.979 9.427 1.00 0.00 ATOM 35 CB ARG 6 -5.853 -8.274 9.230 1.00 0.00 ATOM 36 CG ARG 6 -7.019 -8.399 10.203 1.00 0.00 ATOM 37 CD ARG 6 -7.758 -9.712 10.100 1.00 0.00 ATOM 38 NE ARG 6 -8.542 -9.921 8.902 1.00 0.00 ATOM 39 CZ ARG 6 -8.258 -10.655 7.838 1.00 0.00 ATOM 40 NH1 ARG 6 -7.133 -11.350 7.746 1.00 0.00 ATOM 41 NH2 ARG 6 -9.102 -10.737 6.815 1.00 0.00 ATOM 42 O ARG 6 -2.696 -7.306 9.300 1.00 0.00 ATOM 43 C ARG 6 -3.737 -7.009 8.681 1.00 0.00 ATOM 44 N ALA 7 -3.709 -6.671 7.399 1.00 0.00 ATOM 45 CA ALA 7 -2.450 -6.664 6.656 1.00 0.00 ATOM 46 CB ALA 7 -2.658 -6.490 5.159 1.00 0.00 ATOM 47 O ALA 7 -0.295 -5.798 7.263 1.00 0.00 ATOM 48 C ALA 7 -1.508 -5.598 7.200 1.00 0.00 ATOM 49 N VAL 8 -2.070 -4.447 7.626 1.00 0.00 ATOM 50 CA VAL 8 -1.253 -3.373 8.171 1.00 0.00 ATOM 51 CB VAL 8 -1.980 -2.057 8.390 1.00 0.00 ATOM 52 CG1 VAL 8 -1.069 -1.062 9.051 1.00 0.00 ATOM 53 CG2 VAL 8 -2.591 -1.509 7.070 1.00 0.00 ATOM 54 O VAL 8 0.614 -3.648 9.667 1.00 0.00 ATOM 55 C VAL 8 -0.590 -3.828 9.479 1.00 0.00 ATOM 56 N GLU 9 -1.360 -4.421 10.378 1.00 0.00 ATOM 57 CA GLU 9 -0.807 -4.852 11.641 1.00 0.00 ATOM 58 CB GLU 9 -2.048 -5.302 12.517 1.00 0.00 ATOM 59 CG GLU 9 -3.091 -4.175 12.682 1.00 0.00 ATOM 60 CD GLU 9 -4.297 -4.440 13.596 1.00 0.00 ATOM 61 OE1 GLU 9 -5.186 -5.241 13.261 1.00 0.00 ATOM 62 OE2 GLU 9 -4.342 -3.807 14.653 1.00 0.00 ATOM 63 O GLU 9 1.241 -5.926 12.138 1.00 0.00 ATOM 64 C GLU 9 0.214 -5.974 11.471 1.00 0.00 ATOM 65 N ARG 10 -0.033 -6.938 10.610 1.00 0.00 ATOM 66 CA ARG 10 0.936 -8.025 10.429 1.00 0.00 ATOM 67 CB ARG 10 0.363 -9.078 9.478 1.00 0.00 ATOM 68 CG ARG 10 -0.749 -9.919 10.082 1.00 0.00 ATOM 69 CD ARG 10 -1.321 -10.892 9.064 1.00 0.00 ATOM 70 NE ARG 10 -2.412 -11.688 9.619 1.00 0.00 ATOM 71 CZ ARG 10 -3.131 -12.561 8.921 1.00 0.00 ATOM 72 NH1 ARG 10 -4.103 -13.242 9.512 1.00 0.00 ATOM 73 NH2 ARG 10 -2.876 -12.751 7.635 1.00 0.00 ATOM 74 O ARG 10 3.313 -7.889 10.215 1.00 0.00 ATOM 75 C ARG 10 2.227 -7.454 9.865 1.00 0.00 ATOM 76 N LEU 11 2.145 -6.446 8.949 1.00 0.00 ATOM 77 CA LEU 11 3.338 -5.839 8.372 1.00 0.00 ATOM 78 CB LEU 11 2.978 -4.774 7.349 1.00 0.00 ATOM 79 CG LEU 11 4.114 -4.079 6.584 1.00 0.00 ATOM 80 CD1 LEU 11 5.042 -5.113 5.966 1.00 0.00 ATOM 81 CD2 LEU 11 3.524 -3.184 5.503 1.00 0.00 ATOM 82 O LEU 11 5.344 -5.281 9.556 1.00 0.00 ATOM 83 C LEU 11 4.120 -5.158 9.477 1.00 0.00 ATOM 84 N LYS 12 3.382 -4.472 10.311 1.00 0.00 ATOM 85 CA LYS 12 4.007 -3.751 11.436 1.00 0.00 ATOM 86 CB LYS 12 2.934 -3.002 12.229 1.00 0.00 ATOM 87 CG LYS 12 3.476 -2.190 13.395 1.00 0.00 ATOM 88 CD LYS 12 2.368 -1.424 14.097 1.00 0.00 ATOM 89 CE LYS 12 2.903 -0.651 15.292 1.00 0.00 ATOM 90 NZ LYS 12 1.831 0.122 15.979 1.00 0.00 ATOM 91 O LYS 12 5.864 -4.464 12.816 1.00 0.00 ATOM 92 C LYS 12 4.717 -4.687 12.393 1.00 0.00 ATOM 93 N ALA 13 4.048 -5.753 12.746 1.00 0.00 ATOM 94 CA ALA 13 4.676 -6.674 13.625 1.00 0.00 ATOM 95 CB ALA 13 3.721 -7.802 13.983 1.00 0.00 ATOM 96 O ALA 13 6.969 -7.481 13.638 1.00 0.00 ATOM 97 C ALA 13 5.944 -7.286 12.972 1.00 0.00 ATOM 98 N ALA 14 5.901 -7.608 11.680 1.00 0.00 ATOM 99 CA ALA 14 7.092 -8.084 10.993 1.00 0.00 ATOM 100 CB ALA 14 6.795 -8.327 9.522 1.00 0.00 ATOM 101 O ALA 14 9.403 -7.500 11.314 1.00 0.00 ATOM 102 C ALA 14 8.258 -7.101 11.076 1.00 0.00 ATOM 103 N LEU 15 7.946 -5.825 10.917 1.00 0.00 ATOM 104 CA LEU 15 8.949 -4.768 10.988 1.00 0.00 ATOM 105 CB LEU 15 8.378 -3.389 10.650 1.00 0.00 ATOM 106 CG LEU 15 9.354 -2.214 10.724 1.00 0.00 ATOM 107 CD1 LEU 15 10.495 -2.398 9.736 1.00 0.00 ATOM 108 CD2 LEU 15 8.649 -0.907 10.398 1.00 0.00 ATOM 109 O LEU 15 10.755 -4.469 12.560 1.00 0.00 ATOM 110 C LEU 15 9.546 -4.668 12.401 1.00 0.00 ATOM 111 N GLU 16 8.716 -4.861 13.418 1.00 0.00 ATOM 112 CA GLU 16 9.170 -4.826 14.811 1.00 0.00 ATOM 113 CB GLU 16 8.062 -5.073 15.836 1.00 0.00 ATOM 114 CG GLU 16 8.536 -5.047 17.280 1.00 0.00 ATOM 115 CD GLU 16 7.407 -5.263 18.268 1.00 0.00 ATOM 116 OE1 GLU 16 6.250 -5.419 17.823 1.00 0.00 ATOM 117 OE2 GLU 16 7.678 -5.276 19.487 1.00 0.00 ATOM 118 O GLU 16 11.286 -5.618 15.676 1.00 0.00 ATOM 119 C GLU 16 10.245 -5.905 15.062 1.00 0.00 ATOM 120 N ARG 17 10.020 -7.142 14.687 1.00 0.00 ATOM 121 CA ARG 17 10.985 -8.216 14.874 1.00 0.00 ATOM 122 CB ARG 17 10.409 -9.517 14.384 1.00 0.00 ATOM 123 CG ARG 17 11.399 -10.667 14.478 1.00 0.00 ATOM 124 CD ARG 17 10.762 -11.971 14.021 1.00 0.00 ATOM 125 NE ARG 17 11.692 -13.098 14.073 1.00 0.00 ATOM 126 CZ ARG 17 12.062 -13.725 15.186 1.00 0.00 ATOM 127 NH1 ARG 17 11.587 -13.348 16.365 1.00 0.00 ATOM 128 NH2 ARG 17 12.914 -14.739 15.116 1.00 0.00 ATOM 129 O ARG 17 11.792 -7.381 12.770 1.00 0.00 ATOM 130 C ARG 17 12.066 -7.925 13.829 1.00 0.00 ATOM 131 N PRO 18 13.335 -8.238 14.138 1.00 0.00 ATOM 132 CA PRO 18 14.324 -7.935 13.092 1.00 0.00 ATOM 133 CB PRO 18 15.666 -8.012 13.822 1.00 0.00 ATOM 134 CG PRO 18 15.453 -9.028 14.893 1.00 0.00 ATOM 135 CD PRO 18 14.045 -8.831 15.377 1.00 0.00 ATOM 136 O PRO 18 13.721 -10.017 12.060 1.00 0.00 ATOM 137 C PRO 18 14.279 -8.929 11.932 1.00 0.00 ATOM 138 N LYS 19 14.865 -8.528 10.807 1.00 0.00 ATOM 139 CA LYS 19 14.968 -9.381 9.618 1.00 0.00 ATOM 140 CB LYS 19 14.799 -8.549 8.345 1.00 0.00 ATOM 141 CG LYS 19 13.473 -7.810 8.258 1.00 0.00 ATOM 142 CD LYS 19 12.305 -8.780 8.187 1.00 0.00 ATOM 143 CE LYS 19 10.989 -8.045 7.990 1.00 0.00 ATOM 144 NZ LYS 19 9.823 -8.970 8.043 1.00 0.00 ATOM 145 O LYS 19 17.318 -9.346 10.062 1.00 0.00 ATOM 146 C LYS 19 16.362 -10.012 9.671 1.00 0.00 ATOM 147 N ASP 20 16.477 -11.270 9.265 1.00 0.00 ATOM 148 CA ASP 20 17.770 -11.942 9.308 1.00 0.00 ATOM 149 CB ASP 20 17.548 -13.425 8.930 1.00 0.00 ATOM 150 CG ASP 20 18.793 -14.272 8.984 1.00 0.00 ATOM 151 OD1 ASP 20 19.640 -14.148 8.112 1.00 0.00 ATOM 152 OD2 ASP 20 18.920 -15.067 9.890 1.00 0.00 ATOM 153 O ASP 20 18.202 -10.849 7.256 1.00 0.00 ATOM 154 C ASP 20 18.698 -11.221 8.323 1.00 0.00 ATOM 155 N GLU 21 17.870 -12.822 6.183 1.00 0.00 ATOM 156 CA GLU 21 17.336 -12.363 4.901 1.00 0.00 ATOM 157 CB GLU 21 18.274 -12.756 3.758 1.00 0.00 ATOM 158 CG GLU 21 19.581 -11.979 3.731 1.00 0.00 ATOM 159 CD GLU 21 20.523 -12.459 2.645 1.00 0.00 ATOM 160 OE1 GLU 21 20.182 -13.445 1.959 1.00 0.00 ATOM 161 OE2 GLU 21 21.600 -11.849 2.481 1.00 0.00 ATOM 162 O GLU 21 15.214 -12.286 3.810 1.00 0.00 ATOM 163 C GLU 21 15.972 -12.925 4.541 1.00 0.00 ATOM 164 N PHE 22 15.701 -14.191 4.947 1.00 0.00 ATOM 165 CA PHE 22 14.345 -14.719 4.697 1.00 0.00 ATOM 166 CB PHE 22 14.180 -16.098 5.339 1.00 0.00 ATOM 167 CG PHE 22 12.811 -16.689 5.160 1.00 0.00 ATOM 168 CD1 PHE 22 12.467 -17.331 3.982 1.00 0.00 ATOM 169 CD2 PHE 22 11.866 -16.607 6.169 1.00 0.00 ATOM 170 CE1 PHE 22 11.207 -17.875 3.817 1.00 0.00 ATOM 171 CE2 PHE 22 10.608 -17.151 6.004 1.00 0.00 ATOM 172 CZ PHE 22 10.276 -17.785 4.834 1.00 0.00 ATOM 173 O PHE 22 12.274 -13.482 4.671 1.00 0.00 ATOM 174 C PHE 22 13.314 -13.752 5.279 1.00 0.00 ATOM 175 N ILE 23 13.664 -13.234 6.479 1.00 0.00 ATOM 176 CA ILE 23 12.776 -12.306 7.169 1.00 0.00 ATOM 177 CB ILE 23 13.224 -11.877 8.554 1.00 0.00 ATOM 178 CG1 ILE 23 13.181 -13.122 9.513 1.00 0.00 ATOM 179 CG2 ILE 23 12.350 -10.820 9.247 1.00 0.00 ATOM 180 CD1 ILE 23 14.006 -12.841 10.776 1.00 0.00 ATOM 181 O ILE 23 11.384 -10.653 6.141 1.00 0.00 ATOM 182 C ILE 23 12.527 -11.071 6.308 1.00 0.00 ATOM 183 N ARG 24 13.578 -10.495 5.755 1.00 0.00 ATOM 184 CA ARG 24 13.429 -9.331 4.881 1.00 0.00 ATOM 185 CB ARG 24 14.723 -8.791 4.395 1.00 0.00 ATOM 186 CG ARG 24 15.481 -8.124 5.509 1.00 0.00 ATOM 187 CD ARG 24 16.860 -7.661 5.111 1.00 0.00 ATOM 188 NE ARG 24 17.547 -6.971 6.200 1.00 0.00 ATOM 189 CZ ARG 24 18.855 -6.966 6.370 1.00 0.00 ATOM 190 NH1 ARG 24 19.648 -7.641 5.538 1.00 0.00 ATOM 191 NH2 ARG 24 19.368 -6.294 7.392 1.00 0.00 ATOM 192 O ARG 24 11.789 -8.869 3.235 1.00 0.00 ATOM 193 C ARG 24 12.603 -9.671 3.666 1.00 0.00 ATOM 194 N ASP 25 12.844 -10.848 3.079 1.00 0.00 ATOM 195 CA ASP 25 12.046 -11.339 1.933 1.00 0.00 ATOM 196 CB ASP 25 12.462 -12.763 1.560 1.00 0.00 ATOM 197 CG ASP 25 13.814 -12.816 0.879 1.00 0.00 ATOM 198 OD1 ASP 25 14.326 -11.744 0.490 1.00 0.00 ATOM 199 OD2 ASP 25 14.365 -13.927 0.734 1.00 0.00 ATOM 200 O ASP 25 9.708 -10.774 1.707 1.00 0.00 ATOM 201 C ASP 25 10.555 -11.311 2.378 1.00 0.00 ATOM 202 N SER 26 10.284 -11.855 3.565 1.00 0.00 ATOM 203 CA SER 26 8.925 -11.936 4.093 1.00 0.00 ATOM 204 CB SER 26 8.910 -12.703 5.416 1.00 0.00 ATOM 205 OG SER 26 9.268 -14.060 5.226 1.00 0.00 ATOM 206 O SER 26 7.124 -10.351 4.015 1.00 0.00 ATOM 207 C SER 26 8.292 -10.568 4.346 1.00 0.00 ATOM 208 N ALA 27 9.041 -9.663 4.964 1.00 0.00 ATOM 209 CA ALA 27 8.528 -8.310 5.224 1.00 0.00 ATOM 210 CB ALA 27 9.568 -7.504 5.975 1.00 0.00 ATOM 211 O ALA 27 7.125 -6.968 3.824 1.00 0.00 ATOM 212 C ALA 27 8.181 -7.640 3.885 1.00 0.00 ATOM 213 N ILE 28 9.002 -7.803 2.879 1.00 0.00 ATOM 214 CA ILE 28 8.684 -7.267 1.539 1.00 0.00 ATOM 215 CB ILE 28 9.871 -7.494 0.571 1.00 0.00 ATOM 216 CG1 ILE 28 11.072 -6.644 0.994 1.00 0.00 ATOM 217 CG2 ILE 28 9.483 -7.206 -0.874 1.00 0.00 ATOM 218 CD1 ILE 28 12.364 -7.004 0.287 1.00 0.00 ATOM 219 O ILE 28 6.557 -7.178 0.425 1.00 0.00 ATOM 220 C ILE 28 7.405 -7.882 0.980 1.00 0.00 ATOM 221 N GLN 29 7.260 -9.199 1.135 1.00 0.00 ATOM 222 CA GLN 29 6.068 -9.883 0.652 1.00 0.00 ATOM 223 CB GLN 29 6.183 -11.390 0.895 1.00 0.00 ATOM 224 CG GLN 29 7.204 -12.086 0.011 1.00 0.00 ATOM 225 CD GLN 29 7.371 -13.552 0.357 1.00 0.00 ATOM 226 OE1 GLN 29 6.787 -14.042 1.324 1.00 0.00 ATOM 227 NE2 GLN 29 8.171 -14.257 -0.433 1.00 0.00 ATOM 228 O GLN 29 3.808 -9.080 0.815 1.00 0.00 ATOM 229 C GLN 29 4.870 -9.308 1.400 1.00 0.00 ATOM 230 N ARG 30 5.022 -9.066 2.699 1.00 0.00 ATOM 231 CA ARG 30 3.942 -8.518 3.510 1.00 0.00 ATOM 232 CB ARG 30 4.426 -8.334 4.904 1.00 0.00 ATOM 233 CG ARG 30 3.629 -8.940 6.028 1.00 0.00 ATOM 234 CD ARG 30 4.505 -8.898 7.315 1.00 0.00 ATOM 235 NE ARG 30 4.781 -10.299 7.629 1.00 0.00 ATOM 236 CZ ARG 30 4.164 -10.917 8.624 1.00 0.00 ATOM 237 NH1 ARG 30 3.300 -10.204 9.347 1.00 0.00 ATOM 238 NH2 ARG 30 4.421 -12.195 8.864 1.00 0.00 ATOM 239 O ARG 30 2.487 -6.639 3.117 1.00 0.00 ATOM 240 C ARG 30 3.639 -7.075 3.092 1.00 0.00 ATOM 241 N PHE 31 4.682 -6.364 2.731 1.00 0.00 ATOM 242 CA PHE 31 4.540 -4.980 2.275 1.00 0.00 ATOM 243 CB PHE 31 5.841 -4.359 1.900 1.00 0.00 ATOM 244 CG PHE 31 5.714 -2.944 1.426 1.00 0.00 ATOM 245 CD1 PHE 31 5.377 -1.984 2.363 1.00 0.00 ATOM 246 CD2 PHE 31 5.963 -2.583 0.107 1.00 0.00 ATOM 247 CE1 PHE 31 5.262 -0.634 2.004 1.00 0.00 ATOM 248 CE2 PHE 31 5.866 -1.241 -0.246 1.00 0.00 ATOM 249 CZ PHE 31 5.519 -0.301 0.704 1.00 0.00 ATOM 250 O PHE 31 2.889 -4.028 0.798 1.00 0.00 ATOM 251 C PHE 31 3.711 -4.938 0.989 1.00 0.00 ATOM 252 N GLU 32 3.910 -5.943 0.129 1.00 0.00 ATOM 253 CA GLU 32 3.117 -6.027 -1.087 1.00 0.00 ATOM 254 CB GLU 32 3.656 -7.177 -1.940 1.00 0.00 ATOM 255 CG GLU 32 5.028 -6.914 -2.540 1.00 0.00 ATOM 256 CD GLU 32 5.584 -8.118 -3.275 1.00 0.00 ATOM 257 OE1 GLU 32 4.928 -9.182 -3.253 1.00 0.00 ATOM 258 OE2 GLU 32 6.673 -7.999 -3.873 1.00 0.00 ATOM 259 O GLU 32 0.754 -5.589 -1.387 1.00 0.00 ATOM 260 C GLU 32 1.641 -6.219 -0.773 1.00 0.00 ATOM 261 N PHE 33 1.420 -6.975 0.414 1.00 0.00 ATOM 262 CA PHE 33 0.032 -7.277 0.802 1.00 0.00 ATOM 263 CB PHE 33 -0.080 -8.276 1.954 1.00 0.00 ATOM 264 CG PHE 33 0.089 -9.709 1.532 1.00 0.00 ATOM 265 CD1 PHE 33 1.299 -10.357 1.704 1.00 0.00 ATOM 266 CD2 PHE 33 -0.963 -10.407 0.966 1.00 0.00 ATOM 267 CE1 PHE 33 1.456 -11.675 1.316 1.00 0.00 ATOM 268 CE2 PHE 33 -0.806 -11.725 0.577 1.00 0.00 ATOM 269 CZ PHE 33 0.396 -12.359 0.752 1.00 0.00 ATOM 270 O PHE 33 -1.756 -5.738 0.700 1.00 0.00 ATOM 271 C PHE 33 -0.683 -6.022 1.227 1.00 0.00 ATOM 272 N THR 34 -0.128 -5.260 2.169 1.00 0.00 ATOM 273 CA THR 34 -0.823 -4.016 2.606 1.00 0.00 ATOM 274 CB THR 34 -0.049 -3.303 3.730 1.00 0.00 ATOM 275 CG2 THR 34 -0.756 -2.017 4.131 1.00 0.00 ATOM 276 OG1 THR 34 0.036 -4.161 4.874 1.00 0.00 ATOM 277 O THR 34 -2.052 -2.366 1.329 1.00 0.00 ATOM 278 C THR 34 -1.009 -2.961 1.487 1.00 0.00 ATOM 279 N PHE 35 0.017 -2.789 0.686 1.00 0.00 ATOM 280 CA PHE 35 -0.024 -1.899 -0.444 1.00 0.00 ATOM 281 CB PHE 35 1.263 -2.015 -1.265 1.00 0.00 ATOM 282 CG PHE 35 1.280 -1.150 -2.492 1.00 0.00 ATOM 283 CD1 PHE 35 1.537 0.206 -2.396 1.00 0.00 ATOM 284 CD2 PHE 35 1.037 -1.692 -3.742 1.00 0.00 ATOM 285 CE1 PHE 35 1.553 1.002 -3.527 1.00 0.00 ATOM 286 CE2 PHE 35 1.053 -0.896 -4.872 1.00 0.00 ATOM 287 CZ PHE 35 1.310 0.445 -4.768 1.00 0.00 ATOM 288 O PHE 35 -2.089 -1.377 -1.671 1.00 0.00 ATOM 289 C PHE 35 -1.223 -2.241 -1.365 1.00 0.00 ATOM 290 N GLU 36 -1.205 -3.466 -1.880 1.00 0.00 ATOM 291 CA GLU 36 -2.287 -3.971 -2.717 1.00 0.00 ATOM 292 CB GLU 36 -2.091 -5.461 -3.004 1.00 0.00 ATOM 293 CG GLU 36 -3.164 -6.066 -3.895 1.00 0.00 ATOM 294 CD GLU 36 -2.916 -7.532 -4.193 1.00 0.00 ATOM 295 OE1 GLU 36 -1.886 -8.066 -3.730 1.00 0.00 ATOM 296 OE2 GLU 36 -3.751 -8.147 -4.888 1.00 0.00 ATOM 297 O GLU 36 -4.609 -3.350 -2.657 1.00 0.00 ATOM 298 C GLU 36 -3.658 -3.848 -2.052 1.00 0.00 ATOM 299 N LEU 37 -3.798 -4.306 -0.784 1.00 0.00 ATOM 300 CA LEU 37 -5.069 -4.206 -0.074 1.00 0.00 ATOM 301 CB LEU 37 -4.924 -4.913 1.275 1.00 0.00 ATOM 302 CG LEU 37 -4.779 -6.436 1.229 1.00 0.00 ATOM 303 CD1 LEU 37 -4.463 -6.987 2.611 1.00 0.00 ATOM 304 CD2 LEU 37 -6.064 -7.084 0.740 1.00 0.00 ATOM 305 O LEU 37 -6.613 -2.392 0.026 1.00 0.00 ATOM 306 C LEU 37 -5.442 -2.767 0.143 1.00 0.00 ATOM 307 N ALA 38 -4.460 -1.920 0.509 1.00 0.00 ATOM 308 CA ALA 38 -4.734 -0.513 0.743 1.00 0.00 ATOM 309 CB ALA 38 -3.464 0.242 1.104 1.00 0.00 ATOM 310 O ALA 38 -6.257 0.842 -0.472 1.00 0.00 ATOM 311 C ALA 38 -5.323 0.050 -0.533 1.00 0.00 ATOM 312 N TRP 39 -4.782 -0.330 -1.701 1.00 0.00 ATOM 313 CA TRP 39 -5.353 0.226 -2.905 1.00 0.00 ATOM 314 CB TRP 39 -4.414 0.007 -4.094 1.00 0.00 ATOM 315 CG TRP 39 -4.962 0.512 -5.394 1.00 0.00 ATOM 316 CD1 TRP 39 -4.904 1.792 -5.864 1.00 0.00 ATOM 317 CD2 TRP 39 -5.654 -0.252 -6.388 1.00 0.00 ATOM 318 CE2 TRP 39 -5.984 0.630 -7.436 1.00 0.00 ATOM 319 CE3 TRP 39 -6.025 -1.596 -6.496 1.00 0.00 ATOM 320 NE1 TRP 39 -5.516 1.874 -7.091 1.00 0.00 ATOM 321 CZ2 TRP 39 -6.668 0.213 -8.576 1.00 0.00 ATOM 322 CZ3 TRP 39 -6.704 -2.005 -7.630 1.00 0.00 ATOM 323 CH2 TRP 39 -7.019 -1.107 -8.655 1.00 0.00 ATOM 324 O TRP 39 -7.599 0.263 -3.814 1.00 0.00 ATOM 325 C TRP 39 -6.711 -0.397 -3.255 1.00 0.00 ATOM 326 N LYS 40 -6.891 -1.730 -2.963 1.00 0.00 ATOM 327 CA LYS 40 -8.189 -2.325 -3.223 1.00 0.00 ATOM 328 CB LYS 40 -8.216 -3.811 -2.857 1.00 0.00 ATOM 329 CG LYS 40 -7.321 -4.680 -3.725 1.00 0.00 ATOM 330 CD LYS 40 -7.402 -6.140 -3.310 1.00 0.00 ATOM 331 CE LYS 40 -6.481 -7.005 -4.156 1.00 0.00 ATOM 332 NZ LYS 40 -6.532 -8.435 -3.745 1.00 0.00 ATOM 333 O LYS 40 -10.248 -1.218 -3.015 1.00 0.00 ATOM 334 C LYS 40 -9.254 -1.570 -2.444 1.00 0.00 ATOM 335 N THR 41 -8.982 -1.239 -1.178 1.00 0.00 ATOM 336 CA THR 41 -9.935 -0.528 -0.320 1.00 0.00 ATOM 337 CB THR 41 -9.432 -0.444 1.133 1.00 0.00 ATOM 338 CG2 THR 41 -10.419 0.331 1.995 1.00 0.00 ATOM 339 OG1 THR 41 -9.288 -1.766 1.669 1.00 0.00 ATOM 340 O THR 41 -11.314 1.337 -0.731 1.00 0.00 ATOM 341 C THR 41 -10.189 0.892 -0.773 1.00 0.00 ATOM 342 N LEU 42 -9.179 1.608 -1.210 1.00 0.00 ATOM 343 CA LEU 42 -9.419 2.969 -1.681 1.00 0.00 ATOM 344 CB LEU 42 -8.100 3.649 -2.051 1.00 0.00 ATOM 345 CG LEU 42 -7.162 3.985 -0.889 1.00 0.00 ATOM 346 CD1 LEU 42 -5.822 4.486 -1.408 1.00 0.00 ATOM 347 CD2 LEU 42 -7.765 5.070 -0.009 1.00 0.00 ATOM 348 O LEU 42 -11.207 3.783 -3.022 1.00 0.00 ATOM 349 C LEU 42 -10.308 2.970 -2.902 1.00 0.00 ATOM 350 N LYS 43 -10.041 2.056 -3.834 1.00 0.00 ATOM 351 CA LYS 43 -10.868 2.004 -5.029 1.00 0.00 ATOM 352 CB LYS 43 -10.302 0.993 -6.029 1.00 0.00 ATOM 353 CG LYS 43 -11.071 0.918 -7.339 1.00 0.00 ATOM 354 CD LYS 43 -10.401 -0.034 -8.318 1.00 0.00 ATOM 355 CE LYS 43 -11.183 -0.128 -9.616 1.00 0.00 ATOM 356 NZ LYS 43 -10.551 -1.075 -10.577 1.00 0.00 ATOM 357 O LYS 43 -13.298 2.146 -5.190 1.00 0.00 ATOM 358 C LYS 43 -12.324 1.580 -4.689 1.00 0.00 ATOM 359 N THR 44 -12.458 0.593 -3.804 1.00 0.00 ATOM 360 CA THR 44 -13.779 0.132 -3.394 1.00 0.00 ATOM 361 CB THR 44 -13.685 -1.044 -2.406 1.00 0.00 ATOM 362 CG2 THR 44 -15.073 -1.480 -1.962 1.00 0.00 ATOM 363 OG1 THR 44 -13.030 -2.151 -3.036 1.00 0.00 ATOM 364 O THR 44 -15.747 1.432 -2.942 1.00 0.00 ATOM 365 C THR 44 -14.552 1.260 -2.710 1.00 0.00 ATOM 366 N PHE 45 -13.873 1.997 -1.833 1.00 0.00 ATOM 367 CA PHE 45 -14.509 3.122 -1.139 1.00 0.00 ATOM 368 CB PHE 45 -13.532 3.764 -0.153 1.00 0.00 ATOM 369 CG PHE 45 -14.096 4.953 0.573 1.00 0.00 ATOM 370 CD1 PHE 45 -14.945 4.783 1.653 1.00 0.00 ATOM 371 CD2 PHE 45 -13.778 6.239 0.176 1.00 0.00 ATOM 372 CE1 PHE 45 -15.464 5.877 2.320 1.00 0.00 ATOM 373 CE2 PHE 45 -14.298 7.332 0.842 1.00 0.00 ATOM 374 CZ PHE 45 -15.137 7.156 1.911 1.00 0.00 ATOM 375 O PHE 45 -16.092 4.627 -2.133 1.00 0.00 ATOM 376 C PHE 45 -14.946 4.173 -2.157 1.00 0.00 ATOM 377 N LEU 46 -14.053 4.537 -3.079 1.00 0.00 ATOM 378 CA LEU 46 -14.402 5.515 -4.110 1.00 0.00 ATOM 379 CB LEU 46 -13.186 5.832 -4.983 1.00 0.00 ATOM 380 CG LEU 46 -12.058 6.619 -4.315 1.00 0.00 ATOM 381 CD1 LEU 46 -10.846 6.704 -5.230 1.00 0.00 ATOM 382 CD2 LEU 46 -12.509 8.034 -3.989 1.00 0.00 ATOM 383 O LEU 46 -16.391 5.740 -5.389 1.00 0.00 ATOM 384 C LEU 46 -15.504 4.994 -5.014 1.00 0.00 ATOM 385 N GLU 47 -15.451 3.739 -5.370 1.00 0.00 ATOM 386 CA GLU 47 -16.506 3.100 -6.175 1.00 0.00 ATOM 387 CB GLU 47 -16.233 1.603 -6.327 1.00 0.00 ATOM 388 CG GLU 47 -17.245 0.871 -7.194 1.00 0.00 ATOM 389 CD GLU 47 -16.906 -0.596 -7.373 1.00 0.00 ATOM 390 OE1 GLU 47 -15.868 -1.035 -6.838 1.00 0.00 ATOM 391 OE2 GLU 47 -17.680 -1.305 -8.050 1.00 0.00 ATOM 392 O GLU 47 -18.881 3.434 -6.202 1.00 0.00 ATOM 393 C GLU 47 -17.861 3.268 -5.523 1.00 0.00 ATOM 394 N LEU 48 -17.874 3.167 -4.180 1.00 0.00 ATOM 395 CA LEU 48 -19.162 3.234 -3.449 1.00 0.00 ATOM 396 CB LEU 48 -18.929 3.122 -1.941 1.00 0.00 ATOM 397 CG LEU 48 -18.439 1.766 -1.430 1.00 0.00 ATOM 398 CD1 LEU 48 -18.090 1.842 0.049 1.00 0.00 ATOM 399 CD2 LEU 48 -19.514 0.704 -1.611 1.00 0.00 ATOM 400 O LEU 48 -21.128 4.570 -3.674 1.00 0.00 ATOM 401 C LEU 48 -19.893 4.527 -3.700 1.00 0.00 ATOM 402 N GLN 49 -19.126 5.606 -3.901 1.00 0.00 ATOM 403 CA GLN 49 -19.678 6.925 -4.077 1.00 0.00 ATOM 404 CB GLN 49 -18.724 7.983 -3.517 1.00 0.00 ATOM 405 CG GLN 49 -18.447 7.843 -2.029 1.00 0.00 ATOM 406 CD GLN 49 -19.704 7.951 -1.189 1.00 0.00 ATOM 407 OE1 GLN 49 -20.505 8.868 -1.369 1.00 0.00 ATOM 408 NE2 GLN 49 -19.880 7.011 -0.266 1.00 0.00 ATOM 409 O GLN 49 -20.406 8.341 -5.877 1.00 0.00 ATOM 410 C GLN 49 -20.082 7.206 -5.523 1.00 0.00 ATOM 411 N GLY 50 -20.068 6.072 -6.334 1.00 0.00 ATOM 412 CA GLY 50 -20.466 6.177 -7.725 1.00 0.00 ATOM 413 O GLY 50 -19.729 6.873 -9.879 1.00 0.00 ATOM 414 C GLY 50 -19.392 6.529 -8.734 1.00 0.00 ATOM 415 N LEU 51 -18.115 6.426 -8.323 1.00 0.00 ATOM 416 CA LEU 51 -17.031 6.867 -9.188 1.00 0.00 ATOM 417 CB LEU 51 -15.759 7.107 -8.373 1.00 0.00 ATOM 418 CG LEU 51 -15.834 8.204 -7.307 1.00 0.00 ATOM 419 CD1 LEU 51 -14.541 8.265 -6.508 1.00 0.00 ATOM 420 CD2 LEU 51 -16.059 9.564 -7.950 1.00 0.00 ATOM 421 O LEU 51 -17.034 4.670 -10.183 1.00 0.00 ATOM 422 C LEU 51 -16.691 5.847 -10.270 1.00 0.00 ATOM 423 N GLU 52 -15.963 6.313 -11.280 1.00 0.00 ATOM 424 CA GLU 52 -15.399 5.466 -12.323 1.00 0.00 ATOM 425 CB GLU 52 -15.867 5.932 -13.703 1.00 0.00 ATOM 426 CG GLU 52 -17.360 5.764 -13.942 1.00 0.00 ATOM 427 CD GLU 52 -17.776 6.181 -15.338 1.00 0.00 ATOM 428 OE1 GLU 52 -16.901 6.619 -16.114 1.00 0.00 ATOM 429 OE2 GLU 52 -18.979 6.072 -15.656 1.00 0.00 ATOM 430 O GLU 52 -13.338 6.668 -11.952 1.00 0.00 ATOM 431 C GLU 52 -13.888 5.577 -12.217 1.00 0.00 ATOM 432 N ALA 53 -13.192 4.467 -12.399 1.00 0.00 ATOM 433 CA ALA 53 -11.773 4.388 -12.106 1.00 0.00 ATOM 434 CB ALA 53 -11.547 3.729 -10.754 1.00 0.00 ATOM 435 O ALA 53 -11.820 2.735 -13.757 1.00 0.00 ATOM 436 C ALA 53 -11.142 3.576 -13.183 1.00 0.00 ATOM 437 N ARG 54 -9.858 3.764 -13.467 1.00 0.00 ATOM 438 CA ARG 54 -9.164 2.934 -14.444 1.00 0.00 ATOM 439 CB ARG 54 -8.194 3.846 -15.228 1.00 0.00 ATOM 440 CG ARG 54 -8.863 4.967 -15.984 1.00 0.00 ATOM 441 CD ARG 54 -7.813 5.867 -16.609 1.00 0.00 ATOM 442 NE ARG 54 -6.960 6.445 -15.579 1.00 0.00 ATOM 443 CZ ARG 54 -5.951 7.278 -15.811 1.00 0.00 ATOM 444 NH1 ARG 54 -5.657 7.643 -17.054 1.00 0.00 ATOM 445 NH2 ARG 54 -5.229 7.733 -14.793 1.00 0.00 ATOM 446 O ARG 54 -8.098 0.813 -14.622 1.00 0.00 ATOM 447 C ARG 54 -8.537 1.671 -13.854 1.00 0.00 ATOM 448 N SER 55 -7.784 2.765 -12.640 1.00 0.00 ATOM 449 CA SER 55 -6.472 2.233 -12.367 1.00 0.00 ATOM 450 CB SER 55 -5.557 2.415 -13.580 1.00 0.00 ATOM 451 OG SER 55 -5.273 3.785 -13.804 1.00 0.00 ATOM 452 O SER 55 -6.465 3.891 -10.611 1.00 0.00 ATOM 453 C SER 55 -5.880 2.976 -11.172 1.00 0.00 ATOM 454 N PRO 56 -4.691 2.558 -10.785 1.00 0.00 ATOM 455 CA PRO 56 -3.968 3.145 -9.679 1.00 0.00 ATOM 456 CB PRO 56 -2.526 2.988 -10.016 1.00 0.00 ATOM 457 CG PRO 56 -2.504 1.661 -10.692 1.00 0.00 ATOM 458 CD PRO 56 -3.698 1.753 -11.622 1.00 0.00 ATOM 459 O PRO 56 -4.487 5.127 -8.445 1.00 0.00 ATOM 460 C PRO 56 -4.103 4.660 -9.515 1.00 0.00 ATOM 461 N ARG 57 -3.844 5.468 -10.520 1.00 0.00 ATOM 462 CA ARG 57 -3.947 6.922 -10.409 1.00 0.00 ATOM 463 CB ARG 57 -3.406 7.454 -11.824 1.00 0.00 ATOM 464 CG ARG 57 -1.921 7.345 -12.023 1.00 0.00 ATOM 465 CD ARG 57 -1.437 7.701 -13.399 1.00 0.00 ATOM 466 NE ARG 57 -0.019 7.460 -13.603 1.00 0.00 ATOM 467 CZ ARG 57 0.965 8.322 -13.480 1.00 0.00 ATOM 468 NH1 ARG 57 0.711 9.589 -13.171 1.00 0.00 ATOM 469 NH2 ARG 57 2.207 7.930 -13.710 1.00 0.00 ATOM 470 O ARG 57 -5.491 8.521 -9.502 1.00 0.00 ATOM 471 C ARG 57 -5.334 7.511 -10.198 1.00 0.00 ATOM 472 N ALA 58 -6.336 6.895 -10.797 1.00 0.00 ATOM 473 CA ALA 58 -7.703 7.371 -10.633 1.00 0.00 ATOM 474 CB ALA 58 -8.653 6.567 -11.508 1.00 0.00 ATOM 475 O ALA 58 -8.723 8.026 -8.564 1.00 0.00 ATOM 476 C ALA 58 -8.085 7.170 -9.173 1.00 0.00 ATOM 477 N ALA 59 -7.684 6.016 -8.618 1.00 0.00 ATOM 478 CA ALA 59 -7.979 5.714 -7.224 1.00 0.00 ATOM 479 CB ALA 59 -7.573 4.288 -6.879 1.00 0.00 ATOM 480 O ALA 59 -7.866 7.289 -5.402 1.00 0.00 ATOM 481 C ALA 59 -7.268 6.770 -6.350 1.00 0.00 ATOM 482 N ILE 60 -6.018 7.135 -6.672 1.00 0.00 ATOM 483 CA ILE 60 -5.281 8.138 -5.904 1.00 0.00 ATOM 484 CB ILE 60 -3.815 8.257 -6.360 1.00 0.00 ATOM 485 CG1 ILE 60 -3.046 6.976 -6.028 1.00 0.00 ATOM 486 CG2 ILE 60 -3.133 9.424 -5.661 1.00 0.00 ATOM 487 CD1 ILE 60 -1.680 6.901 -6.672 1.00 0.00 ATOM 488 O ILE 60 -6.069 10.225 -4.986 1.00 0.00 ATOM 489 C ILE 60 -5.935 9.515 -5.998 1.00 0.00 ATOM 490 N ARG 61 -6.274 9.960 -7.200 1.00 0.00 ATOM 491 CA ARG 61 -6.954 11.234 -7.380 1.00 0.00 ATOM 492 CB ARG 61 -7.822 10.977 -8.801 1.00 0.00 ATOM 493 CG ARG 61 -8.197 12.193 -9.668 1.00 0.00 ATOM 494 CD ARG 61 -9.140 11.825 -10.784 1.00 0.00 ATOM 495 NE ARG 61 -8.684 10.752 -11.642 1.00 0.00 ATOM 496 CZ ARG 61 -7.831 10.846 -12.664 1.00 0.00 ATOM 497 NH1 ARG 61 -7.297 11.996 -12.993 1.00 0.00 ATOM 498 NH2 ARG 61 -7.513 9.762 -13.372 1.00 0.00 ATOM 499 O ARG 61 -8.508 12.232 -5.842 1.00 0.00 ATOM 500 C ARG 61 -8.259 11.257 -6.578 1.00 0.00 ATOM 501 N GLY 62 -9.101 10.215 -6.709 1.00 0.00 ATOM 502 CA GLY 62 -10.373 10.173 -5.953 1.00 0.00 ATOM 503 O GLY 62 -10.866 10.890 -3.712 1.00 0.00 ATOM 504 C GLY 62 -10.161 10.181 -4.441 1.00 0.00 ATOM 505 N ALA 63 -9.182 9.454 -4.013 1.00 0.00 ATOM 506 CA ALA 63 -8.834 9.398 -2.591 1.00 0.00 ATOM 507 CB ALA 63 -7.683 8.426 -2.364 1.00 0.00 ATOM 508 O ALA 63 -8.754 11.177 -0.966 1.00 0.00 ATOM 509 C ALA 63 -8.325 10.725 -2.043 1.00 0.00 ATOM 510 N PHE 64 -7.577 11.427 -2.873 1.00 0.00 ATOM 511 CA PHE 64 -7.128 12.741 -2.447 1.00 0.00 ATOM 512 CB PHE 64 -6.101 13.371 -3.391 1.00 0.00 ATOM 513 CG PHE 64 -5.630 14.728 -2.955 1.00 0.00 ATOM 514 CD1 PHE 64 -4.674 14.859 -1.963 1.00 0.00 ATOM 515 CD2 PHE 64 -6.143 15.874 -3.536 1.00 0.00 ATOM 516 CE1 PHE 64 -4.239 16.108 -1.562 1.00 0.00 ATOM 517 CE2 PHE 64 -5.708 17.124 -3.136 1.00 0.00 ATOM 518 CZ PHE 64 -4.761 17.244 -2.152 1.00 0.00 ATOM 519 O PHE 64 -8.352 14.519 -1.397 1.00 0.00 ATOM 520 C PHE 64 -8.310 13.697 -2.310 1.00 0.00 ATOM 521 N GLN 65 -9.209 13.646 -3.307 1.00 0.00 ATOM 522 CA GLN 65 -10.395 14.494 -3.314 1.00 0.00 ATOM 523 CB GLN 65 -11.218 14.186 -4.567 1.00 0.00 ATOM 524 CG GLN 65 -10.621 14.737 -5.852 1.00 0.00 ATOM 525 CD GLN 65 -11.403 14.321 -7.082 1.00 0.00 ATOM 526 OE1 GLN 65 -12.370 13.565 -6.989 1.00 0.00 ATOM 527 NE2 GLN 65 -10.985 14.815 -8.243 1.00 0.00 ATOM 528 O GLN 65 -11.571 15.156 -1.382 1.00 0.00 ATOM 529 C GLN 65 -11.103 14.202 -2.013 1.00 0.00 ATOM 530 N VAL 66 -11.096 12.914 -1.609 1.00 0.00 ATOM 531 CA VAL 66 -11.842 12.533 -0.390 1.00 0.00 ATOM 532 CB VAL 66 -12.413 11.109 -0.523 1.00 0.00 ATOM 533 CG1 VAL 66 -13.387 11.032 -1.688 1.00 0.00 ATOM 534 CG2 VAL 66 -11.294 10.107 -0.764 1.00 0.00 ATOM 535 O VAL 66 -11.416 12.154 1.892 1.00 0.00 ATOM 536 C VAL 66 -10.960 12.559 0.832 1.00 0.00 ATOM 537 N GLY 67 -9.707 13.057 0.725 1.00 0.00 ATOM 538 CA GLY 67 -8.864 13.100 1.941 1.00 0.00 ATOM 539 O GLY 67 -7.808 11.600 3.446 1.00 0.00 ATOM 540 C GLY 67 -8.486 11.711 2.421 1.00 0.00 ATOM 541 N LEU 68 -8.824 10.576 1.646 1.00 0.00 ATOM 542 CA LEU 68 -8.381 9.252 2.088 1.00 0.00 ATOM 543 CB LEU 68 -8.781 8.186 1.066 1.00 0.00 ATOM 544 CG LEU 68 -10.275 7.885 0.950 1.00 0.00 ATOM 545 CD1 LEU 68 -10.547 6.947 -0.218 1.00 0.00 ATOM 546 CD2 LEU 68 -10.792 7.223 2.220 1.00 0.00 ATOM 547 O LEU 68 -6.359 8.547 3.161 1.00 0.00 ATOM 548 C LEU 68 -6.841 9.175 2.264 1.00 0.00 ATOM 549 N LEU 69 -6.087 9.852 1.404 1.00 0.00 ATOM 550 CA LEU 69 -4.647 9.921 1.552 1.00 0.00 ATOM 551 CB LEU 69 -4.003 10.489 0.286 1.00 0.00 ATOM 552 CG LEU 69 -4.135 9.641 -0.980 1.00 0.00 ATOM 553 CD1 LEU 69 -3.555 10.373 -2.181 1.00 0.00 ATOM 554 CD2 LEU 69 -3.392 8.323 -0.824 1.00 0.00 ATOM 555 O LEU 69 -4.847 11.908 2.900 1.00 0.00 ATOM 556 C LEU 69 -4.290 10.821 2.729 1.00 0.00 ATOM 557 N PRO 70 -3.337 10.459 3.566 1.00 0.00 ATOM 558 CA PRO 70 -2.984 11.337 4.705 1.00 0.00 ATOM 559 CB PRO 70 -1.889 10.563 5.443 1.00 0.00 ATOM 560 CG PRO 70 -2.152 9.134 5.108 1.00 0.00 ATOM 561 CD PRO 70 -2.625 9.119 3.682 1.00 0.00 ATOM 562 O PRO 70 -2.888 13.685 4.842 1.00 0.00 ATOM 563 C PRO 70 -2.485 12.675 4.237 1.00 0.00 ATOM 564 N GLU 71 -1.824 12.778 3.112 1.00 0.00 ATOM 565 CA GLU 71 -1.450 14.024 2.480 1.00 0.00 ATOM 566 CB GLU 71 -0.245 14.645 3.190 1.00 0.00 ATOM 567 CG GLU 71 0.157 16.010 2.653 1.00 0.00 ATOM 568 CD GLU 71 1.332 16.607 3.403 1.00 0.00 ATOM 569 OE1 GLU 71 1.838 15.950 4.336 1.00 0.00 ATOM 570 OE2 GLU 71 1.746 17.732 3.056 1.00 0.00 ATOM 571 O GLU 71 -1.069 12.501 0.664 1.00 0.00 ATOM 572 C GLU 71 -1.109 13.651 1.036 1.00 0.00 ATOM 573 N ASP 72 -0.743 13.793 -0.975 1.00 0.00 ATOM 574 CA ASP 72 -0.591 12.890 -2.075 1.00 0.00 ATOM 575 CB ASP 72 -1.384 13.753 -3.348 1.00 0.00 ATOM 576 CG ASP 72 -2.215 12.950 -4.337 1.00 0.00 ATOM 577 OD1 ASP 72 -1.595 12.323 -5.219 1.00 0.00 ATOM 578 OD2 ASP 72 -3.452 12.886 -4.159 1.00 0.00 ATOM 579 O ASP 72 1.162 11.791 -3.227 1.00 0.00 ATOM 580 C ASP 72 0.853 12.733 -2.511 1.00 0.00 ATOM 581 N PRO 73 1.758 13.601 -2.076 1.00 0.00 ATOM 582 CA PRO 73 3.162 13.461 -2.524 1.00 0.00 ATOM 583 CB PRO 73 3.865 14.682 -1.925 1.00 0.00 ATOM 584 CG PRO 73 2.782 15.700 -1.775 1.00 0.00 ATOM 585 CD PRO 73 1.547 14.939 -1.381 1.00 0.00 ATOM 586 O PRO 73 4.360 11.362 -2.589 1.00 0.00 ATOM 587 C PRO 73 3.640 12.137 -1.949 1.00 0.00 ATOM 588 N PHE 74 3.111 11.780 -0.710 1.00 0.00 ATOM 589 CA PHE 74 3.436 10.483 -0.097 1.00 0.00 ATOM 590 CB PHE 74 2.839 10.421 1.335 1.00 0.00 ATOM 591 CG PHE 74 3.608 11.206 2.374 1.00 0.00 ATOM 592 CD1 PHE 74 3.126 11.292 3.675 1.00 0.00 ATOM 593 CD2 PHE 74 4.802 11.845 2.060 1.00 0.00 ATOM 594 CE1 PHE 74 3.820 12.006 4.652 1.00 0.00 ATOM 595 CE2 PHE 74 5.507 12.562 3.030 1.00 0.00 ATOM 596 CZ PHE 74 5.011 12.640 4.328 1.00 0.00 ATOM 597 O PHE 74 3.650 8.240 -1.062 1.00 0.00 ATOM 598 C PHE 74 2.911 9.230 -0.863 1.00 0.00 ATOM 599 N TRP 75 1.655 9.270 -1.310 1.00 0.00 ATOM 600 CA TRP 75 1.131 8.112 -2.053 1.00 0.00 ATOM 601 CB TRP 75 -0.375 8.259 -2.281 1.00 0.00 ATOM 602 CG TRP 75 -1.002 7.065 -2.932 1.00 0.00 ATOM 603 CD1 TRP 75 -1.538 7.000 -4.185 1.00 0.00 ATOM 604 CD2 TRP 75 -1.161 5.761 -2.360 1.00 0.00 ATOM 605 CE2 TRP 75 -1.800 4.957 -3.325 1.00 0.00 ATOM 606 CE3 TRP 75 -0.825 5.192 -1.127 1.00 0.00 ATOM 607 NE1 TRP 75 -2.020 5.738 -4.432 1.00 0.00 ATOM 608 CZ2 TRP 75 -2.109 3.617 -3.096 1.00 0.00 ATOM 609 CZ3 TRP 75 -1.134 3.864 -0.905 1.00 0.00 ATOM 610 CH2 TRP 75 -1.768 3.089 -1.881 1.00 0.00 ATOM 611 O TRP 75 2.087 6.956 -3.896 1.00 0.00 ATOM 612 C TRP 75 1.838 8.045 -3.378 1.00 0.00 ATOM 613 N LEU 76 2.245 9.207 -3.897 1.00 0.00 ATOM 614 CA LEU 76 2.967 9.204 -5.147 1.00 0.00 ATOM 615 CB LEU 76 3.186 10.612 -5.626 1.00 0.00 ATOM 616 CG LEU 76 1.947 11.442 -5.977 1.00 0.00 ATOM 617 CD1 LEU 76 2.278 12.908 -6.242 1.00 0.00 ATOM 618 CD2 LEU 76 1.279 10.845 -7.170 1.00 0.00 ATOM 619 O LEU 76 4.752 7.668 -5.722 1.00 0.00 ATOM 620 C LEU 76 4.297 8.478 -4.913 1.00 0.00 ATOM 621 N GLU 77 4.886 8.721 -3.756 1.00 0.00 ATOM 622 CA GLU 77 6.143 8.082 -3.419 1.00 0.00 ATOM 623 CB GLU 77 6.812 8.769 -2.209 1.00 0.00 ATOM 624 CG GLU 77 7.213 10.223 -2.439 1.00 0.00 ATOM 625 CD GLU 77 7.753 10.927 -1.216 1.00 0.00 ATOM 626 OE1 GLU 77 7.270 10.603 -0.093 1.00 0.00 ATOM 627 OE2 GLU 77 8.657 11.786 -1.325 1.00 0.00 ATOM 628 O GLU 77 6.854 5.793 -3.496 1.00 0.00 ATOM 629 C GLU 77 5.966 6.587 -3.182 1.00 0.00 ATOM 630 N MET 78 4.831 6.213 -2.632 1.00 0.00 ATOM 631 CA MET 78 4.552 4.802 -2.399 1.00 0.00 ATOM 632 CB MET 78 3.265 4.577 -1.602 1.00 0.00 ATOM 633 CG MET 78 3.322 5.098 -0.175 1.00 0.00 ATOM 634 SD MET 78 4.618 4.312 0.802 1.00 0.00 ATOM 635 CE MET 78 5.912 5.548 0.701 1.00 0.00 ATOM 636 O MET 78 4.992 2.922 -3.882 1.00 0.00 ATOM 637 C MET 78 4.433 3.992 -3.733 1.00 0.00 ATOM 638 N LEU 79 3.886 4.601 -4.765 1.00 0.00 ATOM 639 CA LEU 79 3.866 3.934 -6.043 1.00 0.00 ATOM 640 CB LEU 79 2.899 4.572 -6.999 1.00 0.00 ATOM 641 CG LEU 79 1.423 4.613 -6.586 1.00 0.00 ATOM 642 CD1 LEU 79 0.587 5.433 -7.554 1.00 0.00 ATOM 643 CD2 LEU 79 0.910 3.188 -6.444 1.00 0.00 ATOM 644 O LEU 79 5.672 2.834 -7.229 1.00 0.00 ATOM 645 C LEU 79 5.312 3.850 -6.655 1.00 0.00 ATOM 646 N GLU 80 6.081 4.957 -6.675 1.00 0.00 ATOM 647 CA GLU 80 7.463 4.893 -7.193 1.00 0.00 ATOM 648 CB GLU 80 8.184 6.224 -6.964 1.00 0.00 ATOM 649 CG GLU 80 9.598 6.268 -7.518 1.00 0.00 ATOM 650 CD GLU 80 10.256 7.621 -7.329 1.00 0.00 ATOM 651 OE1 GLU 80 9.598 8.529 -6.782 1.00 0.00 ATOM 652 OE2 GLU 80 11.431 7.769 -7.726 1.00 0.00 ATOM 653 O GLU 80 8.779 2.845 -6.983 1.00 0.00 ATOM 654 C GLU 80 8.176 3.738 -6.407 1.00 0.00 ATOM 655 N LEU 81 7.978 3.691 -5.117 1.00 0.00 ATOM 656 CA LEU 81 8.506 2.610 -4.304 1.00 0.00 ATOM 657 CB LEU 81 8.080 2.779 -2.845 1.00 0.00 ATOM 658 CG LEU 81 8.553 1.698 -1.870 1.00 0.00 ATOM 659 CD1 LEU 81 10.071 1.658 -1.806 1.00 0.00 ATOM 660 CD2 LEU 81 8.025 1.969 -0.469 1.00 0.00 ATOM 661 O LEU 81 8.705 0.277 -4.877 1.00 0.00 ATOM 662 C LEU 81 7.962 1.252 -4.762 1.00 0.00 ATOM 663 N ARG 82 6.674 1.204 -5.035 1.00 0.00 ATOM 664 CA ARG 82 6.047 -0.034 -5.492 1.00 0.00 ATOM 665 CB ARG 82 4.515 0.269 -5.682 1.00 0.00 ATOM 666 CG ARG 82 3.712 -0.912 -6.201 1.00 0.00 ATOM 667 CD ARG 82 3.865 -2.123 -5.304 1.00 0.00 ATOM 668 NE ARG 82 3.137 -3.273 -5.831 1.00 0.00 ATOM 669 CZ ARG 82 3.368 -4.532 -5.477 1.00 0.00 ATOM 670 NH1 ARG 82 4.314 -4.809 -4.588 1.00 0.00 ATOM 671 NH2 ARG 82 2.647 -5.513 -6.005 1.00 0.00 ATOM 672 O ARG 82 6.882 -1.685 -6.967 1.00 0.00 ATOM 673 C ARG 82 6.606 -0.483 -6.829 1.00 0.00 ATOM 674 N ASN 83 6.787 0.454 -7.762 1.00 0.00 ATOM 675 CA ASN 83 7.342 0.182 -9.108 1.00 0.00 ATOM 676 CB ASN 83 7.177 1.405 -10.013 1.00 0.00 ATOM 677 CG ASN 83 5.739 1.624 -10.439 1.00 0.00 ATOM 678 ND2 ASN 83 5.434 2.838 -10.884 1.00 0.00 ATOM 679 OD1 ASN 83 4.914 0.714 -10.367 1.00 0.00 ATOM 680 O ASN 83 9.219 -1.027 -9.954 1.00 0.00 ATOM 681 C ASN 83 8.795 -0.264 -9.089 1.00 0.00 ATOM 682 N LEU 84 9.522 0.099 -8.058 1.00 0.00 ATOM 683 CA LEU 84 10.931 -0.268 -7.970 1.00 0.00 ATOM 684 CB LEU 84 11.831 0.814 -7.370 1.00 0.00 ATOM 685 CG LEU 84 11.815 2.174 -8.070 1.00 0.00 ATOM 686 CD1 LEU 84 12.668 3.180 -7.313 1.00 0.00 ATOM 687 CD2 LEU 84 12.362 2.057 -9.485 1.00 0.00 ATOM 688 O LEU 84 12.253 -2.045 -7.032 1.00 0.00 ATOM 689 C LEU 84 11.129 -1.564 -7.178 1.00 0.00 ATOM 690 N THR 85 10.066 -2.056 -6.534 1.00 0.00 ATOM 691 CA THR 85 10.224 -3.293 -5.787 1.00 0.00 ATOM 692 CB THR 85 8.966 -3.661 -5.040 1.00 0.00 ATOM 693 CG2 THR 85 8.644 -2.594 -4.010 1.00 0.00 ATOM 694 OG1 THR 85 7.861 -3.770 -5.949 1.00 0.00 ATOM 695 O THR 85 11.159 -5.430 -6.214 1.00 0.00 ATOM 696 C THR 85 10.628 -4.442 -6.712 1.00 0.00 ATOM 697 N ASN 86 10.384 -4.332 -8.031 1.00 0.00 ATOM 698 CA ASN 86 10.831 -5.394 -8.963 1.00 0.00 ATOM 699 CB ASN 86 10.448 -5.039 -10.401 1.00 0.00 ATOM 700 CG ASN 86 8.962 -5.184 -10.660 1.00 0.00 ATOM 701 ND2 ASN 86 8.479 -4.532 -11.711 1.00 0.00 ATOM 702 OD1 ASN 86 8.258 -5.876 -9.923 1.00 0.00 ATOM 703 O ASN 86 12.933 -6.562 -8.911 1.00 0.00 ATOM 704 C ASN 86 12.343 -5.480 -8.807 1.00 0.00 ATOM 705 N HIS 87 13.015 -4.280 -8.584 1.00 0.00 ATOM 706 CA HIS 87 14.464 -4.281 -8.457 1.00 0.00 ATOM 707 CB HIS 87 15.036 -2.873 -8.631 1.00 0.00 ATOM 708 CG HIS 87 14.837 -2.303 -10.002 1.00 0.00 ATOM 709 CD2 HIS 87 14.040 -1.229 -10.574 1.00 0.00 ATOM 710 ND1 HIS 87 15.487 -2.795 -11.113 1.00 0.00 ATOM 711 CE1 HIS 87 15.107 -2.085 -12.191 1.00 0.00 ATOM 712 NE2 HIS 87 14.238 -1.145 -11.875 1.00 0.00 ATOM 713 O HIS 87 16.237 -4.791 -6.926 1.00 0.00 ATOM 714 C HIS 87 15.030 -4.787 -7.145 1.00 0.00 ATOM 715 N THR 88 14.130 -5.172 -6.247 1.00 0.00 ATOM 716 CA THR 88 14.519 -5.631 -4.936 1.00 0.00 ATOM 717 CB THR 88 13.241 -6.050 -4.121 1.00 0.00 ATOM 718 CG2 THR 88 12.378 -4.863 -3.770 1.00 0.00 ATOM 719 OG1 THR 88 12.501 -6.969 -4.932 1.00 0.00 ATOM 720 O THR 88 16.061 -7.074 -3.803 1.00 0.00 ATOM 721 C THR 88 15.506 -6.793 -4.864 1.00 0.00 ATOM 722 N TYR 89 15.708 -7.551 -6.025 1.00 0.00 ATOM 723 CA TYR 89 16.629 -8.681 -5.993 1.00 0.00 ATOM 724 CB TYR 89 16.621 -9.429 -7.328 1.00 0.00 ATOM 725 CG TYR 89 15.344 -10.196 -7.593 1.00 0.00 ATOM 726 CD1 TYR 89 14.367 -9.681 -8.436 1.00 0.00 ATOM 727 CD2 TYR 89 15.121 -11.431 -7.001 1.00 0.00 ATOM 728 CE1 TYR 89 13.198 -10.373 -8.683 1.00 0.00 ATOM 729 CE2 TYR 89 13.957 -12.139 -7.237 1.00 0.00 ATOM 730 CZ TYR 89 12.994 -11.599 -8.086 1.00 0.00 ATOM 731 OH TYR 89 11.830 -12.291 -8.331 1.00 0.00 ATOM 732 O TYR 89 18.948 -8.961 -5.433 1.00 0.00 ATOM 733 C TYR 89 18.067 -8.191 -5.711 1.00 0.00 ATOM 734 N ASP 90 18.250 -6.886 -5.709 1.00 0.00 ATOM 735 CA ASP 90 19.506 -6.302 -5.369 1.00 0.00 ATOM 736 CB ASP 90 19.614 -4.908 -5.938 1.00 0.00 ATOM 737 CG ASP 90 20.863 -4.165 -5.495 1.00 0.00 ATOM 738 OD1 ASP 90 21.532 -4.542 -4.511 1.00 0.00 ATOM 739 OD2 ASP 90 21.194 -3.156 -6.156 1.00 0.00 ATOM 740 O ASP 90 18.223 -5.535 -3.460 1.00 0.00 ATOM 741 C ASP 90 19.258 -6.069 -3.870 1.00 0.00 ATOM 742 N GLU 91 20.130 -6.574 -3.006 1.00 0.00 ATOM 743 CA GLU 91 20.002 -6.421 -1.545 1.00 0.00 ATOM 744 CB GLU 91 21.221 -7.121 -0.887 1.00 0.00 ATOM 745 CG GLU 91 21.254 -8.625 -1.114 1.00 0.00 ATOM 746 CD GLU 91 22.542 -9.282 -0.632 1.00 0.00 ATOM 747 OE1 GLU 91 23.551 -8.566 -0.430 1.00 0.00 ATOM 748 OE2 GLU 91 22.545 -10.529 -0.472 1.00 0.00 ATOM 749 O GLU 91 19.105 -4.663 -0.175 1.00 0.00 ATOM 750 C GLU 91 19.915 -4.980 -1.050 1.00 0.00 ATOM 751 N ALA 92 20.721 -4.107 -1.627 1.00 0.00 ATOM 752 CA ALA 92 20.743 -2.703 -1.233 1.00 0.00 ATOM 753 CB ALA 92 21.883 -1.974 -1.930 1.00 0.00 ATOM 754 O ALA 92 19.008 -1.139 -0.814 1.00 0.00 ATOM 755 C ALA 92 19.468 -1.968 -1.575 1.00 0.00 ATOM 756 N LEU 93 18.924 -2.237 -2.753 1.00 0.00 ATOM 757 CA LEU 93 17.693 -1.569 -3.134 1.00 0.00 ATOM 758 CB LEU 93 17.255 -1.868 -4.530 1.00 0.00 ATOM 759 CG LEU 93 18.001 -1.070 -5.604 1.00 0.00 ATOM 760 CD1 LEU 93 17.876 -1.715 -6.974 1.00 0.00 ATOM 761 CD2 LEU 93 17.458 0.416 -5.712 1.00 0.00 ATOM 762 O LEU 93 15.763 -1.349 -1.700 1.00 0.00 ATOM 763 C LEU 93 16.625 -2.088 -2.163 1.00 0.00 ATOM 764 N ALA 94 16.736 -3.345 -1.862 1.00 0.00 ATOM 765 CA ALA 94 15.775 -3.965 -0.950 1.00 0.00 ATOM 766 CB ALA 94 16.044 -5.455 -0.807 1.00 0.00 ATOM 767 O ALA 94 14.734 -3.116 1.035 1.00 0.00 ATOM 768 C ALA 94 15.793 -3.374 0.456 1.00 0.00 ATOM 769 N GLU 95 16.992 -3.081 0.959 1.00 0.00 ATOM 770 CA GLU 95 17.157 -2.475 2.279 1.00 0.00 ATOM 771 CB GLU 95 18.635 -2.406 2.668 1.00 0.00 ATOM 772 CG GLU 95 19.277 -3.763 2.909 1.00 0.00 ATOM 773 CD GLU 95 20.767 -3.664 3.171 1.00 0.00 ATOM 774 OE1 GLU 95 21.312 -2.543 3.092 1.00 0.00 ATOM 775 OE2 GLU 95 21.391 -4.709 3.454 1.00 0.00 ATOM 776 O GLU 95 15.887 -0.590 3.182 1.00 0.00 ATOM 777 C GLU 95 16.547 -1.056 2.247 1.00 0.00 ATOM 778 N ARG 96 16.807 -0.367 1.144 1.00 0.00 ATOM 779 CA ARG 96 16.338 1.000 1.007 1.00 0.00 ATOM 780 CB ARG 96 16.766 1.609 -0.350 1.00 0.00 ATOM 781 CG ARG 96 16.249 3.064 -0.649 1.00 0.00 ATOM 782 CD ARG 96 16.859 3.607 -1.985 1.00 0.00 ATOM 783 NE ARG 96 16.358 2.819 -3.126 1.00 0.00 ATOM 784 CZ ARG 96 15.183 2.988 -3.716 1.00 0.00 ATOM 785 NH1 ARG 96 14.329 3.935 -3.273 1.00 0.00 ATOM 786 NH2 ARG 96 14.838 2.196 -4.764 1.00 0.00 ATOM 787 O ARG 96 14.198 1.849 1.815 1.00 0.00 ATOM 788 C ARG 96 14.798 1.040 1.080 1.00 0.00 ATOM 789 N ILE 97 14.176 0.130 0.363 1.00 0.00 ATOM 790 CA ILE 97 12.716 0.066 0.350 1.00 0.00 ATOM 791 CB ILE 97 12.207 -0.886 -0.738 1.00 0.00 ATOM 792 CG1 ILE 97 12.561 -0.283 -2.099 1.00 0.00 ATOM 793 CG2 ILE 97 10.696 -1.137 -0.560 1.00 0.00 ATOM 794 CD1 ILE 97 12.337 -1.227 -3.259 1.00 0.00 ATOM 795 O ILE 97 11.205 0.207 2.212 1.00 0.00 ATOM 796 C ILE 97 12.191 -0.349 1.712 1.00 0.00 ATOM 797 N TYR 98 12.849 -1.323 2.359 1.00 0.00 ATOM 798 CA TYR 98 12.425 -1.760 3.683 1.00 0.00 ATOM 799 CB TYR 98 13.263 -2.940 4.179 1.00 0.00 ATOM 800 CG TYR 98 12.794 -3.514 5.497 1.00 0.00 ATOM 801 CD1 TYR 98 11.682 -4.344 5.556 1.00 0.00 ATOM 802 CD2 TYR 98 13.466 -3.225 6.677 1.00 0.00 ATOM 803 CE1 TYR 98 11.248 -4.872 6.757 1.00 0.00 ATOM 804 CE2 TYR 98 13.046 -3.744 7.887 1.00 0.00 ATOM 805 CZ TYR 98 11.926 -4.574 7.919 1.00 0.00 ATOM 806 OH TYR 98 11.495 -5.099 9.114 1.00 0.00 ATOM 807 O TYR 98 11.605 -0.575 5.604 1.00 0.00 ATOM 808 C TYR 98 12.462 -0.676 4.748 1.00 0.00 ATOM 809 N ALA 99 13.513 0.109 4.712 1.00 0.00 ATOM 810 CA ALA 99 13.676 1.193 5.649 1.00 0.00 ATOM 811 CB ALA 99 14.941 1.976 5.339 1.00 0.00 ATOM 812 O ALA 99 12.165 2.788 6.621 1.00 0.00 ATOM 813 C ALA 99 12.484 2.163 5.608 1.00 0.00 ATOM 814 N GLU 100 11.837 2.280 4.452 1.00 0.00 ATOM 815 CA GLU 100 10.699 3.180 4.305 1.00 0.00 ATOM 816 CB GLU 100 10.495 3.521 2.828 1.00 0.00 ATOM 817 CG GLU 100 11.638 4.306 2.208 1.00 0.00 ATOM 818 CD GLU 100 11.423 4.584 0.734 1.00 0.00 ATOM 819 OE1 GLU 100 10.390 4.140 0.190 1.00 0.00 ATOM 820 OE2 GLU 100 12.288 5.246 0.121 1.00 0.00 ATOM 821 O GLU 100 8.403 3.287 4.888 1.00 0.00 ATOM 822 C GLU 100 9.399 2.587 4.841 1.00 0.00 ATOM 823 N LEU 101 9.412 1.321 5.274 1.00 0.00 ATOM 824 CA LEU 101 8.179 0.676 5.723 1.00 0.00 ATOM 825 CB LEU 101 8.426 -0.802 6.030 1.00 0.00 ATOM 826 CG LEU 101 7.211 -1.613 6.485 1.00 0.00 ATOM 827 CD1 LEU 101 6.132 -1.615 5.412 1.00 0.00 ATOM 828 CD2 LEU 101 7.603 -3.054 6.769 1.00 0.00 ATOM 829 O LEU 101 6.254 1.201 7.010 1.00 0.00 ATOM 830 C LEU 101 7.496 1.200 6.969 1.00 0.00 ATOM 831 N PRO 102 8.284 1.610 7.970 1.00 0.00 ATOM 832 CA PRO 102 7.796 2.224 9.210 1.00 0.00 ATOM 833 CB PRO 102 9.071 2.685 9.921 1.00 0.00 ATOM 834 CG PRO 102 10.114 1.711 9.487 1.00 0.00 ATOM 835 CD PRO 102 9.864 1.453 8.028 1.00 0.00 ATOM 836 O PRO 102 5.753 3.487 9.436 1.00 0.00 ATOM 837 C PRO 102 6.852 3.404 8.899 1.00 0.00 ATOM 838 N LYS 103 7.263 4.311 8.022 1.00 0.00 ATOM 839 CA LYS 103 6.436 5.465 7.658 1.00 0.00 ATOM 840 CB LYS 103 7.215 6.424 6.754 1.00 0.00 ATOM 841 CG LYS 103 8.351 7.151 7.454 1.00 0.00 ATOM 842 CD LYS 103 9.077 8.088 6.500 1.00 0.00 ATOM 843 CE LYS 103 10.235 8.790 7.192 1.00 0.00 ATOM 844 NZ LYS 103 10.970 9.692 6.264 1.00 0.00 ATOM 845 O LYS 103 4.109 5.450 7.105 1.00 0.00 ATOM 846 C LYS 103 5.205 4.950 6.932 1.00 0.00 ATOM 847 N ALA 104 5.413 3.994 6.036 1.00 0.00 ATOM 848 CA ALA 104 4.287 3.466 5.319 1.00 0.00 ATOM 849 CB ALA 104 4.722 2.319 4.419 1.00 0.00 ATOM 850 O ALA 104 2.102 3.084 6.167 1.00 0.00 ATOM 851 C ALA 104 3.301 2.980 6.347 1.00 0.00 ATOM 852 N LEU 105 3.773 2.293 7.368 1.00 0.00 ATOM 853 CA LEU 105 2.796 1.857 8.323 1.00 0.00 ATOM 854 CB LEU 105 3.471 1.101 9.469 1.00 0.00 ATOM 855 CG LEU 105 4.062 -0.267 9.126 1.00 0.00 ATOM 856 CD1 LEU 105 4.852 -0.822 10.300 1.00 0.00 ATOM 857 CD2 LEU 105 2.958 -1.258 8.785 1.00 0.00 ATOM 858 O LEU 105 0.806 2.852 9.131 1.00 0.00 ATOM 859 C LEU 105 2.001 2.983 8.958 1.00 0.00 ATOM 860 N GLU 106 2.625 4.111 9.271 1.00 0.00 ATOM 861 CA GLU 106 1.871 5.210 9.902 1.00 0.00 ATOM 862 CB GLU 106 2.795 6.393 10.198 1.00 0.00 ATOM 863 CG GLU 106 2.108 7.558 10.894 1.00 0.00 ATOM 864 CD GLU 106 3.060 8.696 11.201 1.00 0.00 ATOM 865 OE1 GLU 106 4.262 8.568 10.883 1.00 0.00 ATOM 866 OE2 GLU 106 2.606 9.716 11.761 1.00 0.00 ATOM 867 O GLU 106 -0.408 5.742 9.337 1.00 0.00 ATOM 868 C GLU 106 0.771 5.690 8.963 1.00 0.00 ATOM 869 N ARG 107 1.119 6.021 7.697 1.00 0.00 ATOM 870 CA ARG 107 0.136 6.517 6.743 1.00 0.00 ATOM 871 CB ARG 107 0.734 6.620 5.382 1.00 0.00 ATOM 872 CG ARG 107 1.872 7.640 5.330 1.00 0.00 ATOM 873 CD ARG 107 2.431 7.807 3.914 1.00 0.00 ATOM 874 NE ARG 107 1.393 8.182 2.958 1.00 0.00 ATOM 875 CZ ARG 107 0.986 7.419 1.949 1.00 0.00 ATOM 876 NH1 ARG 107 1.532 6.226 1.745 1.00 0.00 ATOM 877 NH2 ARG 107 0.010 7.839 1.156 1.00 0.00 ATOM 878 O ARG 107 -2.091 5.788 6.263 1.00 0.00 ATOM 879 C ARG 107 -0.906 5.473 6.385 1.00 0.00 ATOM 880 N PHE 108 -0.468 4.255 6.163 1.00 0.00 ATOM 881 CA PHE 108 -1.395 3.184 5.827 1.00 0.00 ATOM 882 CB PHE 108 -0.607 1.899 5.566 1.00 0.00 ATOM 883 CG PHE 108 0.253 1.955 4.336 1.00 0.00 ATOM 884 CD1 PHE 108 0.061 2.941 3.383 1.00 0.00 ATOM 885 CD2 PHE 108 1.254 1.022 4.129 1.00 0.00 ATOM 886 CE1 PHE 108 0.852 2.994 2.253 1.00 0.00 ATOM 887 CE2 PHE 108 2.046 1.074 2.998 1.00 0.00 ATOM 888 CZ PHE 108 1.847 2.053 2.062 1.00 0.00 ATOM 889 O PHE 108 -3.606 2.846 6.708 1.00 0.00 ATOM 890 C PHE 108 -2.409 3.001 6.958 1.00 0.00 ATOM 891 N GLN 109 -1.913 3.066 8.179 1.00 0.00 ATOM 892 CA GLN 109 -2.777 2.919 9.350 1.00 0.00 ATOM 893 CB GLN 109 -1.986 2.930 10.659 1.00 0.00 ATOM 894 CG GLN 109 -2.824 2.649 11.895 1.00 0.00 ATOM 895 CD GLN 109 -3.447 1.266 11.874 1.00 0.00 ATOM 896 OE1 GLN 109 -2.783 0.280 11.552 1.00 0.00 ATOM 897 NE2 GLN 109 -4.727 1.189 12.220 1.00 0.00 ATOM 898 O GLN 109 -4.933 3.802 9.858 1.00 0.00 ATOM 899 C GLN 109 -3.794 4.037 9.454 1.00 0.00 ATOM 900 N GLU 110 -3.400 5.243 9.043 1.00 0.00 ATOM 901 CA GLU 110 -4.328 6.380 9.094 1.00 0.00 ATOM 902 CB GLU 110 -3.476 7.685 8.916 1.00 0.00 ATOM 903 CG GLU 110 -2.292 7.798 9.863 1.00 0.00 ATOM 904 CD GLU 110 -1.567 9.124 9.733 1.00 0.00 ATOM 905 OE1 GLU 110 -1.175 9.483 8.602 1.00 0.00 ATOM 906 OE2 GLU 110 -1.387 9.806 10.763 1.00 0.00 ATOM 907 O GLU 110 -6.640 6.564 8.448 1.00 0.00 ATOM 908 C GLU 110 -5.493 6.223 8.125 1.00 0.00 ATOM 909 N LEU 111 -5.201 5.719 6.944 1.00 0.00 ATOM 910 CA LEU 111 -6.252 5.483 5.945 1.00 0.00 ATOM 911 CB LEU 111 -5.765 4.828 4.706 1.00 0.00 ATOM 912 CG LEU 111 -6.788 4.453 3.630 1.00 0.00 ATOM 913 CD1 LEU 111 -7.537 5.692 3.151 1.00 0.00 ATOM 914 CD2 LEU 111 -6.055 3.782 2.473 1.00 0.00 ATOM 915 O LEU 111 -8.456 4.634 6.339 1.00 0.00 ATOM 916 C LEU 111 -7.241 4.470 6.489 1.00 0.00 ATOM 917 N LEU 112 -6.726 3.410 7.112 1.00 0.00 ATOM 918 CA LEU 112 -7.596 2.386 7.681 1.00 0.00 ATOM 919 CB LEU 112 -6.765 1.256 8.294 1.00 0.00 ATOM 920 CG LEU 112 -7.548 0.115 8.946 1.00 0.00 ATOM 921 CD1 LEU 112 -8.425 -0.588 7.922 1.00 0.00 ATOM 922 CD2 LEU 112 -6.601 -0.912 9.547 1.00 0.00 ATOM 923 O LEU 112 -9.642 2.669 8.845 1.00 0.00 ATOM 924 C LEU 112 -8.464 2.977 8.779 1.00 0.00 ATOM 925 N ARG 113 -7.870 3.781 9.643 1.00 0.00 ATOM 926 CA ARG 113 -8.639 4.385 10.719 1.00 0.00 ATOM 927 CB ARG 113 -7.735 5.238 11.611 1.00 0.00 ATOM 928 CG ARG 113 -6.785 4.434 12.482 1.00 0.00 ATOM 929 CD ARG 113 -5.887 5.343 13.306 1.00 0.00 ATOM 930 NE ARG 113 -4.933 4.585 14.113 1.00 0.00 ATOM 931 CZ ARG 113 -3.999 5.136 14.880 1.00 0.00 ATOM 932 NH1 ARG 113 -3.175 4.368 15.578 1.00 0.00 ATOM 933 NH2 ARG 113 -3.891 6.457 14.947 1.00 0.00 ATOM 934 O ARG 113 -10.878 5.237 10.639 1.00 0.00 ATOM 935 C ARG 113 -9.744 5.285 10.170 1.00 0.00 ATOM 936 N ARG 114 -9.404 6.096 9.175 1.00 0.00 ATOM 937 CA ARG 114 -10.390 6.994 8.580 1.00 0.00 ATOM 938 CB ARG 114 -9.692 7.978 7.597 1.00 0.00 ATOM 939 CG ARG 114 -8.849 9.015 8.252 1.00 0.00 ATOM 940 CD ARG 114 -7.991 9.861 7.336 1.00 0.00 ATOM 941 NE ARG 114 -7.409 11.002 8.027 1.00 0.00 ATOM 942 CZ ARG 114 -6.257 11.601 7.701 1.00 0.00 ATOM 943 NH1 ARG 114 -5.524 11.175 6.706 1.00 0.00 ATOM 944 NH2 ARG 114 -5.783 12.565 8.444 1.00 0.00 ATOM 945 O ARG 114 -12.686 6.547 8.098 1.00 0.00 ATOM 946 C ARG 114 -11.520 6.202 7.945 1.00 0.00 ATOM 947 N LEU 115 -11.175 5.140 7.228 1.00 0.00 ATOM 948 CA LEU 115 -12.191 4.316 6.576 1.00 0.00 ATOM 949 CB LEU 115 -11.563 3.225 5.746 1.00 0.00 ATOM 950 CG LEU 115 -10.864 3.728 4.473 1.00 0.00 ATOM 951 CD1 LEU 115 -10.033 2.617 3.873 1.00 0.00 ATOM 952 CD2 LEU 115 -11.868 4.294 3.468 1.00 0.00 ATOM 953 O LEU 115 -14.351 3.664 7.375 1.00 0.00 ATOM 954 C LEU 115 -13.146 3.681 7.588 1.00 0.00 ATOM 955 N GLU 116 -12.600 3.128 8.663 1.00 0.00 ATOM 956 CA GLU 116 -13.419 2.498 9.698 1.00 0.00 ATOM 957 CB GLU 116 -12.524 1.889 10.780 1.00 0.00 ATOM 958 CG GLU 116 -13.265 1.063 11.838 1.00 0.00 ATOM 959 CD GLU 116 -14.018 -0.119 11.242 1.00 0.00 ATOM 960 OE1 GLU 116 -13.521 -0.712 10.265 1.00 0.00 ATOM 961 OE2 GLU 116 -15.096 -0.467 11.760 1.00 0.00 ATOM 962 O GLU 116 -15.476 3.157 10.726 1.00 0.00 ATOM 963 C GLU 116 -14.351 3.496 10.366 1.00 0.00 ATOM 964 N GLU 117 -13.875 4.724 10.576 1.00 0.00 ATOM 965 CA GLU 117 -14.704 5.742 11.206 1.00 0.00 ATOM 966 CB GLU 117 -14.082 7.081 11.298 1.00 0.00 ATOM 967 CG GLU 117 -12.913 7.156 12.310 1.00 0.00 ATOM 968 CD GLU 117 -13.269 6.638 13.714 1.00 0.00 ATOM 969 OE1 GLU 117 -14.468 6.639 14.094 1.00 0.00 ATOM 970 OE2 GLU 117 -12.333 6.235 14.441 1.00 0.00 ATOM 971 O GLU 117 -17.068 6.035 10.916 1.00 0.00 ATOM 972 C GLU 117 -15.961 6.032 10.379 1.00 0.00 ATOM 973 N PRO 118 -15.846 6.123 9.051 1.00 0.00 ATOM 974 CA PRO 118 -17.026 6.389 8.227 1.00 0.00 ATOM 975 CB PRO 118 -16.440 6.503 6.822 1.00 0.00 ATOM 976 CG PRO 118 -15.104 7.117 7.085 1.00 0.00 ATOM 977 CD PRO 118 -14.611 6.300 8.266 1.00 0.00 ATOM 978 O PRO 118 -19.264 5.576 8.486 1.00 0.00 ATOM 979 C PRO 118 -18.080 5.293 8.333 1.00 0.00 ATOM 980 N ALA 119 -17.627 4.048 8.195 1.00 0.00 ATOM 981 CA ALA 119 -18.540 2.907 8.276 1.00 0.00 ATOM 982 CB ALA 119 -17.791 1.622 7.961 1.00 0.00 ATOM 983 O ALA 119 -20.395 2.589 9.768 1.00 0.00 ATOM 984 C ALA 119 -19.192 2.812 9.641 1.00 0.00 TER END