PFRMAT TS TARGET T0210 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD This is the model built by alignment to 1h1iB, our top-scoring template: METHOD T0210-1h1iB-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD with sidechains repacked by SCWRL. METHOD REMARK 6 REMARK 6 T0210 model 4 Mon Jul 12 16:20:48 2004 MODEL 4 PARENT 1h1i_B ATOM 2 N LEU 38 -56.335 0.764 33.553 1.00 0.00 ATOM 3 CA LEU 38 -56.276 0.216 32.199 1.00 0.00 ATOM 4 CB LEU 38 -57.568 0.521 31.440 1.00 0.00 ATOM 5 CG LEU 38 -58.818 -0.230 31.903 1.00 0.00 ATOM 6 CD1 LEU 38 -60.057 0.303 31.199 1.00 0.00 ATOM 7 CD2 LEU 38 -58.699 -1.715 31.596 1.00 0.00 ATOM 8 O LEU 38 -54.444 0.036 30.698 1.00 0.00 ATOM 9 C LEU 38 -55.123 0.790 31.372 1.00 0.00 ATOM 10 N TRP 39 -54.928 2.111 31.396 1.00 0.00 ATOM 11 CA TRP 39 -53.886 2.763 30.596 1.00 0.00 ATOM 12 CB TRP 39 -54.306 2.838 29.126 1.00 0.00 ATOM 13 CG TRP 39 -55.526 3.676 28.894 1.00 0.00 ATOM 14 CD1 TRP 39 -55.563 5.013 28.620 1.00 0.00 ATOM 15 CD2 TRP 39 -56.888 3.232 28.915 1.00 0.00 ATOM 16 CE2 TRP 39 -57.696 4.354 28.645 1.00 0.00 ATOM 17 CE3 TRP 39 -57.505 1.996 29.136 1.00 0.00 ATOM 18 NE1 TRP 39 -56.863 5.430 28.468 1.00 0.00 ATOM 19 CZ2 TRP 39 -59.087 4.278 28.591 1.00 0.00 ATOM 20 CZ3 TRP 39 -58.884 1.925 29.080 1.00 0.00 ATOM 21 CH2 TRP 39 -59.662 3.056 28.809 1.00 0.00 ATOM 22 O TRP 39 -54.462 4.768 31.855 1.00 0.00 ATOM 23 C TRP 39 -53.644 4.176 31.106 1.00 0.00 ATOM 24 N SER 40 -52.521 4.730 30.685 1.00 0.00 ATOM 25 CA SER 40 -52.209 6.117 30.948 1.00 0.00 ATOM 26 CB SER 40 -50.864 6.237 31.666 1.00 0.00 ATOM 27 OG SER 40 -50.920 5.650 32.955 1.00 0.00 ATOM 28 O SER 40 -51.582 6.290 28.663 1.00 0.00 ATOM 29 C SER 40 -52.149 6.828 29.615 1.00 0.00 ATOM 30 N SER 41 -52.726 8.024 29.535 1.00 0.00 ATOM 31 CA SER 41 -52.607 8.821 28.332 1.00 0.00 ATOM 32 CB SER 41 -53.968 8.965 27.650 1.00 0.00 ATOM 33 OG SER 41 -53.880 9.799 26.507 1.00 0.00 ATOM 34 O SER 41 -52.753 10.890 29.575 1.00 0.00 ATOM 35 C SER 41 -52.082 10.170 28.790 1.00 0.00 ATOM 36 N ILE 42 -50.870 10.504 28.366 1.00 0.00 ATOM 37 CA ILE 42 -50.272 11.763 28.845 1.00 0.00 ATOM 38 CB ILE 42 -49.065 11.502 29.766 1.00 0.00 ATOM 39 CG1 ILE 42 -47.978 10.729 29.015 1.00 0.00 ATOM 40 CG2 ILE 42 -49.488 10.686 30.978 1.00 0.00 ATOM 41 CD1 ILE 42 -46.677 10.611 29.776 1.00 0.00 ATOM 42 O ILE 42 -49.469 12.116 26.616 1.00 0.00 ATOM 43 C ILE 42 -49.778 12.632 27.694 1.00 0.00 ATOM 44 N TYR 43 -49.693 13.944 27.924 1.00 0.00 ATOM 45 CA TYR 43 -49.103 14.828 26.927 1.00 0.00 ATOM 46 CB TYR 43 -50.054 15.982 26.604 1.00 0.00 ATOM 47 CG TYR 43 -51.334 15.551 25.923 1.00 0.00 ATOM 48 CD1 TYR 43 -52.482 15.297 26.661 1.00 0.00 ATOM 49 CD2 TYR 43 -51.387 15.395 24.543 1.00 0.00 ATOM 50 CE1 TYR 43 -53.656 14.901 26.047 1.00 0.00 ATOM 51 CE2 TYR 43 -52.552 15.001 23.913 1.00 0.00 ATOM 52 CZ TYR 43 -53.690 14.754 24.677 1.00 0.00 ATOM 53 OH TYR 43 -54.859 14.359 24.064 1.00 0.00 ATOM 54 O TYR 43 -47.716 15.702 28.655 1.00 0.00 ATOM 55 C TYR 43 -47.801 15.399 27.461 1.00 0.00 ATOM 56 N PHE 44 -46.780 15.491 26.613 1.00 0.00 ATOM 57 CA PHE 44 -45.525 16.138 27.035 1.00 0.00 ATOM 58 CB PHE 44 -44.374 15.130 27.028 1.00 0.00 ATOM 59 CG PHE 44 -43.065 15.703 27.491 1.00 0.00 ATOM 60 CD1 PHE 44 -42.845 15.967 28.831 1.00 0.00 ATOM 61 CD2 PHE 44 -42.054 15.976 26.587 1.00 0.00 ATOM 62 CE1 PHE 44 -41.640 16.494 29.259 1.00 0.00 ATOM 63 CE2 PHE 44 -40.849 16.502 27.013 1.00 0.00 ATOM 64 CZ PHE 44 -40.641 16.761 28.342 1.00 0.00 ATOM 65 O PHE 44 -45.118 16.982 24.860 1.00 0.00 ATOM 66 C PHE 44 -45.254 17.259 26.041 1.00 0.00 ATOM 67 N LEU 45 -45.150 18.496 26.518 1.00 0.00 ATOM 68 CA LEU 45 -44.821 19.619 25.643 1.00 0.00 ATOM 69 CB LEU 45 -45.827 20.756 25.828 1.00 0.00 ATOM 70 CG LEU 45 -47.289 20.423 25.529 1.00 0.00 ATOM 71 CD1 LEU 45 -48.187 21.612 25.838 1.00 0.00 ATOM 72 CD2 LEU 45 -47.469 20.061 24.063 1.00 0.00 ATOM 73 O LEU 45 -43.126 20.195 27.231 1.00 0.00 ATOM 74 C LEU 45 -43.430 20.081 26.025 1.00 0.00 ATOM 75 N LEU 46 -42.578 20.387 25.037 1.00 0.00 ATOM 76 CA LEU 46 -41.183 20.715 25.342 1.00 0.00 ATOM 77 CB LEU 46 -40.377 19.441 25.602 1.00 0.00 ATOM 78 CG LEU 46 -38.948 19.636 26.113 1.00 0.00 ATOM 79 CD1 LEU 46 -38.954 20.262 27.499 1.00 0.00 ATOM 80 CD2 LEU 46 -38.221 18.303 26.198 1.00 0.00 ATOM 81 O LEU 46 -40.941 21.323 23.023 1.00 0.00 ATOM 82 C LEU 46 -40.525 21.464 24.183 1.00 0.00 ATOM 83 N ARG 47 -37.016 22.641 21.827 1.00 0.00 ATOM 84 CA ARG 47 -35.837 22.000 21.279 1.00 0.00 ATOM 85 CB ARG 47 -35.190 22.888 20.213 1.00 0.00 ATOM 86 CG ARG 47 -33.983 22.261 19.534 1.00 0.00 ATOM 87 CD ARG 47 -33.395 23.194 18.487 1.00 0.00 ATOM 88 NE ARG 47 -32.197 22.633 17.866 1.00 0.00 ATOM 89 CZ ARG 47 -31.503 23.233 16.904 1.00 0.00 ATOM 90 NH1 ARG 47 -30.426 22.647 16.398 1.00 0.00 ATOM 91 NH2 ARG 47 -31.889 24.418 16.449 1.00 0.00 ATOM 92 O ARG 47 -34.600 22.632 23.234 1.00 0.00 ATOM 93 C ARG 47 -34.824 21.748 22.387 1.00 0.00 ATOM 94 N THR 48 -34.171 20.583 22.351 1.00 0.00 ATOM 95 CA THR 48 -33.009 20.352 23.215 1.00 0.00 ATOM 96 CB THR 48 -33.348 19.394 24.372 1.00 0.00 ATOM 97 CG2 THR 48 -32.130 19.179 25.259 1.00 0.00 ATOM 98 OG1 THR 48 -34.406 19.950 25.162 1.00 0.00 ATOM 99 O THR 48 -32.145 18.946 21.484 1.00 0.00 ATOM 100 C THR 48 -31.881 19.736 22.387 1.00 0.00 ATOM 101 N GLY 49 -30.639 20.099 22.688 1.00 0.00 ATOM 102 CA GLY 49 -29.501 19.450 22.049 1.00 0.00 ATOM 103 O GLY 49 -28.155 17.492 22.346 1.00 0.00 ATOM 104 C GLY 49 -29.129 18.147 22.749 1.00 0.00 ATOM 105 N GLU 50 -29.841 17.809 23.820 1.00 0.00 ATOM 106 CA GLU 50 -29.501 16.617 24.597 1.00 0.00 ATOM 107 CB GLU 50 -29.227 16.989 26.056 1.00 0.00 ATOM 108 CG GLU 50 -28.022 17.893 26.251 1.00 0.00 ATOM 109 CD GLU 50 -27.747 18.192 27.711 1.00 0.00 ATOM 110 OE1 GLU 50 -28.517 17.713 28.570 1.00 0.00 ATOM 111 OE2 GLU 50 -26.762 18.905 27.996 1.00 0.00 ATOM 112 O GLU 50 -31.765 16.033 24.269 1.00 0.00 ATOM 113 C GLU 50 -30.646 15.640 24.550 1.00 0.00 ATOM 114 N VAL 51 -30.380 14.371 24.861 1.00 0.00 ATOM 115 CA VAL 51 -31.462 13.399 24.994 1.00 0.00 ATOM 116 CB VAL 51 -30.937 12.032 25.470 1.00 0.00 ATOM 117 CG1 VAL 51 -29.934 11.468 24.473 1.00 0.00 ATOM 118 CG2 VAL 51 -30.247 12.167 26.820 1.00 0.00 ATOM 119 O VAL 51 -32.097 14.611 26.943 1.00 0.00 ATOM 120 C VAL 51 -32.467 13.900 25.999 1.00 0.00 ATOM 121 N SER 52 -33.728 13.525 25.799 1.00 0.00 ATOM 122 CA SER 52 -34.814 13.902 26.671 1.00 0.00 ATOM 123 CB SER 52 -36.133 13.944 25.898 1.00 0.00 ATOM 124 OG SER 52 -36.098 14.931 24.881 1.00 0.00 ATOM 125 O SER 52 -35.823 13.131 28.669 1.00 0.00 ATOM 126 C SER 52 -34.985 12.923 27.821 1.00 0.00 ATOM 127 N HIS 53 -34.178 11.860 27.829 1.00 0.00 ATOM 128 CA HIS 53 -34.221 10.830 28.874 1.00 0.00 ATOM 129 CB HIS 53 -35.540 10.057 28.811 1.00 0.00 ATOM 130 CG HIS 53 -35.747 9.121 29.961 1.00 0.00 ATOM 131 CD2 HIS 53 -35.654 7.682 30.159 1.00 0.00 ATOM 132 ND1 HIS 53 -36.120 9.555 31.215 1.00 0.00 ATOM 133 CE1 HIS 53 -36.228 8.491 32.030 1.00 0.00 ATOM 134 NE2 HIS 53 -35.949 7.365 31.404 1.00 0.00 ATOM 135 O HIS 53 -32.631 9.695 27.497 1.00 0.00 ATOM 136 C HIS 53 -33.054 9.883 28.638 1.00 0.00 ATOM 137 N PHE 54 -32.490 9.308 29.704 1.00 0.00 ATOM 138 CA PHE 54 -31.379 8.379 29.498 1.00 0.00 ATOM 139 CB PHE 54 -30.626 8.145 30.808 1.00 0.00 ATOM 140 CG PHE 54 -29.969 9.378 31.359 1.00 0.00 ATOM 141 CD1 PHE 54 -30.551 10.085 32.397 1.00 0.00 ATOM 142 CD2 PHE 54 -28.770 9.832 30.840 1.00 0.00 ATOM 143 CE1 PHE 54 -29.947 11.220 32.904 1.00 0.00 ATOM 144 CE2 PHE 54 -28.165 10.966 31.346 1.00 0.00 ATOM 145 CZ PHE 54 -28.749 11.660 32.373 1.00 0.00 ATOM 146 O PHE 54 -33.158 6.787 29.257 1.00 0.00 ATOM 147 C PHE 54 -32.002 7.066 28.989 1.00 0.00 ATOM 148 N HIS 55 -33.384 3.425 28.381 1.00 0.00 ATOM 149 CA HIS 55 -33.953 2.527 29.374 1.00 0.00 ATOM 150 CB HIS 55 -34.738 3.318 30.422 1.00 0.00 ATOM 151 CG HIS 55 -33.890 4.238 31.245 1.00 0.00 ATOM 152 CD2 HIS 55 -32.461 4.450 31.425 1.00 0.00 ATOM 153 ND1 HIS 55 -34.425 5.176 32.100 1.00 0.00 ATOM 154 CE1 HIS 55 -33.423 5.847 32.696 1.00 0.00 ATOM 155 NE2 HIS 55 -32.242 5.415 32.296 1.00 0.00 ATOM 156 O HIS 55 -35.271 1.672 27.574 1.00 0.00 ATOM 157 C HIS 55 -34.899 1.522 28.747 1.00 0.00 ATOM 158 N ARG 56 -35.330 0.550 29.559 1.00 0.00 ATOM 159 CA ARG 56 -36.321 -0.476 29.201 1.00 0.00 ATOM 160 CB ARG 56 -35.669 -1.859 29.153 1.00 0.00 ATOM 161 CG ARG 56 -34.618 -2.011 28.065 1.00 0.00 ATOM 162 CD ARG 56 -34.011 -3.405 28.075 1.00 0.00 ATOM 163 NE ARG 56 -33.190 -3.635 29.262 1.00 0.00 ATOM 164 CZ ARG 56 -32.716 -4.823 29.624 1.00 0.00 ATOM 165 NH1 ARG 56 -31.978 -4.937 30.720 1.00 0.00 ATOM 166 NH2 ARG 56 -32.983 -5.895 28.890 1.00 0.00 ATOM 167 O ARG 56 -37.179 -0.202 31.417 1.00 0.00 ATOM 168 C ARG 56 -37.436 -0.488 30.244 1.00 0.00 ATOM 169 N LEU 57 -38.645 -0.864 29.829 1.00 0.00 ATOM 170 CA LEU 57 -39.703 -1.272 30.771 1.00 0.00 ATOM 171 CB LEU 57 -40.986 -0.478 30.512 1.00 0.00 ATOM 172 CG LEU 57 -40.884 1.042 30.656 1.00 0.00 ATOM 173 CD1 LEU 57 -42.201 1.706 30.289 1.00 0.00 ATOM 174 CD2 LEU 57 -40.541 1.423 32.088 1.00 0.00 ATOM 175 O LEU 57 -40.092 -3.190 29.419 1.00 0.00 ATOM 176 C LEU 57 -39.966 -2.747 30.567 1.00 0.00 ATOM 177 N THR 58 -40.033 -3.512 31.659 1.00 0.00 ATOM 178 CA THR 58 -40.268 -4.949 31.531 1.00 0.00 ATOM 179 CB THR 58 -39.645 -5.730 32.702 1.00 0.00 ATOM 180 CG2 THR 58 -38.149 -5.468 32.782 1.00 0.00 ATOM 181 OG1 THR 58 -40.254 -5.317 33.933 1.00 0.00 ATOM 182 O THR 58 -42.129 -6.377 31.013 1.00 0.00 ATOM 183 C THR 58 -41.750 -5.308 31.509 1.00 0.00 ATOM 184 N ALA 59 -42.581 -4.404 32.015 1.00 0.00 ATOM 185 CA ALA 59 -44.009 -4.716 32.226 1.00 0.00 ATOM 186 CB ALA 59 -44.328 -4.760 33.712 1.00 0.00 ATOM 187 O ALA 59 -46.182 -3.819 31.743 1.00 0.00 ATOM 188 C ALA 59 -44.952 -3.693 31.599 1.00 0.00 ATOM 189 N ASP 60 -44.415 -2.670 30.946 1.00 0.00 ATOM 190 CA ASP 60 -45.282 -1.664 30.329 1.00 0.00 ATOM 191 CB ASP 60 -45.060 -0.296 30.978 1.00 0.00 ATOM 192 CG ASP 60 -45.447 -0.276 32.443 1.00 0.00 ATOM 193 OD1 ASP 60 -46.581 -0.691 32.765 1.00 0.00 ATOM 194 OD2 ASP 60 -44.617 0.155 33.271 1.00 0.00 ATOM 195 O ASP 60 -43.803 -1.589 28.456 1.00 0.00 ATOM 196 C ASP 60 -44.973 -1.563 28.862 1.00 0.00 ATOM 197 N GLU 61 -46.031 -1.475 28.066 1.00 0.00 ATOM 198 CA GLU 61 -45.917 -1.235 26.633 1.00 0.00 ATOM 199 CB GLU 61 -47.010 -1.991 25.875 1.00 0.00 ATOM 200 CG GLU 61 -46.875 -3.504 25.939 1.00 0.00 ATOM 201 CD GLU 61 -48.002 -4.219 25.218 1.00 0.00 ATOM 202 OE1 GLU 61 -48.903 -3.531 24.693 1.00 0.00 ATOM 203 OE2 GLU 61 -47.984 -5.467 25.181 1.00 0.00 ATOM 204 O GLU 61 -47.060 0.896 26.907 1.00 0.00 ATOM 205 C GLU 61 -46.074 0.268 26.441 1.00 0.00 ATOM 206 N MET 62 -45.086 0.856 25.777 1.00 0.00 ATOM 207 CA MET 62 -45.083 2.308 25.575 1.00 0.00 ATOM 208 CB MET 62 -43.718 2.897 25.936 1.00 0.00 ATOM 209 CG MET 62 -43.393 2.846 27.419 1.00 0.00 ATOM 210 SD MET 62 -41.840 3.670 27.821 1.00 0.00 ATOM 211 CE MET 62 -42.285 5.383 27.545 1.00 0.00 ATOM 212 O MET 62 -44.951 2.042 23.192 1.00 0.00 ATOM 213 C MET 62 -45.381 2.704 24.125 1.00 0.00 ATOM 214 N TRP 63 -46.125 3.797 23.940 1.00 0.00 ATOM 215 CA TRP 63 -46.504 4.255 22.603 1.00 0.00 ATOM 216 CB TRP 63 -47.991 3.996 22.350 1.00 0.00 ATOM 217 CG TRP 63 -48.445 4.398 20.980 1.00 0.00 ATOM 218 CD1 TRP 63 -47.685 4.455 19.848 1.00 0.00 ATOM 219 CD2 TRP 63 -49.766 4.799 20.598 1.00 0.00 ATOM 220 CE2 TRP 63 -49.731 5.085 19.218 1.00 0.00 ATOM 221 CE3 TRP 63 -50.975 4.947 21.286 1.00 0.00 ATOM 222 NE1 TRP 63 -48.449 4.868 18.783 1.00 0.00 ATOM 223 CZ2 TRP 63 -50.858 5.509 18.515 1.00 0.00 ATOM 224 CZ3 TRP 63 -52.088 5.366 20.585 1.00 0.00 ATOM 225 CH2 TRP 63 -52.026 5.643 19.215 1.00 0.00 ATOM 226 O TRP 63 -46.645 6.493 23.360 1.00 0.00 ATOM 227 C TRP 63 -46.232 5.746 22.490 1.00 0.00 ATOM 228 N TYR 64 -45.529 6.167 21.433 1.00 0.00 ATOM 229 CA TYR 64 -45.179 7.574 21.214 1.00 0.00 ATOM 230 CB TYR 64 -43.680 7.719 20.944 1.00 0.00 ATOM 231 CG TYR 64 -42.809 7.375 22.132 1.00 0.00 ATOM 232 CD1 TYR 64 -42.344 6.080 22.321 1.00 0.00 ATOM 233 CD2 TYR 64 -42.453 8.346 23.059 1.00 0.00 ATOM 234 CE1 TYR 64 -41.548 5.756 23.403 1.00 0.00 ATOM 235 CE2 TYR 64 -41.657 8.041 24.146 1.00 0.00 ATOM 236 CZ TYR 64 -41.206 6.733 24.313 1.00 0.00 ATOM 237 OH TYR 64 -40.412 6.413 25.391 1.00 0.00 ATOM 238 O TYR 64 -45.921 7.442 18.945 1.00 0.00 ATOM 239 C TYR 64 -45.960 8.064 20.025 1.00 0.00 ATOM 240 N PHE 65 -46.753 9.117 20.235 1.00 0.00 ATOM 241 CA PHE 65 -47.476 9.743 19.126 1.00 0.00 ATOM 242 CB PHE 65 -48.987 9.619 19.333 1.00 0.00 ATOM 243 CG PHE 65 -49.803 10.274 18.255 1.00 0.00 ATOM 244 CD1 PHE 65 -49.935 9.681 17.011 1.00 0.00 ATOM 245 CD2 PHE 65 -50.438 11.481 18.484 1.00 0.00 ATOM 246 CE1 PHE 65 -50.686 10.284 16.019 1.00 0.00 ATOM 247 CE2 PHE 65 -51.188 12.084 17.492 1.00 0.00 ATOM 248 CZ PHE 65 -51.313 11.490 16.264 1.00 0.00 ATOM 249 O PHE 65 -47.077 11.903 20.077 1.00 0.00 ATOM 250 C PHE 65 -47.090 11.226 19.066 1.00 0.00 ATOM 251 N HIS 66 -46.744 11.725 17.885 1.00 0.00 ATOM 252 CA HIS 66 -46.368 13.120 17.790 1.00 0.00 ATOM 253 CB HIS 66 -45.284 13.311 16.726 1.00 0.00 ATOM 254 CG HIS 66 -44.034 12.531 16.990 1.00 0.00 ATOM 255 CD2 HIS 66 -43.463 11.288 16.495 1.00 0.00 ATOM 256 ND1 HIS 66 -43.077 12.940 17.894 1.00 0.00 ATOM 257 CE1 HIS 66 -42.078 12.040 17.912 1.00 0.00 ATOM 258 NE2 HIS 66 -42.303 11.046 17.075 1.00 0.00 ATOM 259 O HIS 66 -48.040 13.885 16.274 1.00 0.00 ATOM 260 C HIS 66 -47.555 13.958 17.416 1.00 0.00 ATOM 261 N ALA 67 -48.042 14.769 18.352 1.00 0.00 ATOM 262 CA ALA 67 -49.162 15.658 18.036 1.00 0.00 ATOM 263 CB ALA 67 -49.746 16.249 19.310 1.00 0.00 ATOM 264 O ALA 67 -49.537 17.186 16.255 1.00 0.00 ATOM 265 C ALA 67 -48.766 16.809 17.154 1.00 0.00 ATOM 266 N GLY 68 -47.610 17.414 17.445 1.00 0.00 ATOM 267 CA GLY 68 -47.094 18.520 16.647 1.00 0.00 ATOM 268 O GLY 68 -45.099 18.027 17.872 1.00 0.00 ATOM 269 C GLY 68 -45.614 18.632 16.926 1.00 0.00 ATOM 270 N GLN 69 -44.930 19.418 16.116 1.00 0.00 ATOM 271 CA GLN 69 -43.494 19.594 16.274 1.00 0.00 ATOM 272 CB GLN 69 -43.146 19.861 17.740 1.00 0.00 ATOM 273 CG GLN 69 -43.720 21.157 18.287 1.00 0.00 ATOM 274 CD GLN 69 -43.169 22.381 17.583 1.00 0.00 ATOM 275 OE1 GLN 69 -41.963 22.497 17.369 1.00 0.00 ATOM 276 NE2 GLN 69 -44.056 23.302 17.221 1.00 0.00 ATOM 277 O GLN 69 -43.196 17.700 14.860 1.00 0.00 ATOM 278 C GLN 69 -42.769 18.340 15.821 1.00 0.00 ATOM 279 N SER 70 -41.667 17.968 16.492 1.00 0.00 ATOM 280 CA SER 70 -40.993 16.730 16.108 1.00 0.00 ATOM 281 CB SER 70 -40.201 16.930 14.814 1.00 0.00 ATOM 282 OG SER 70 -39.498 15.753 14.458 1.00 0.00 ATOM 283 O SER 70 -39.460 17.097 17.910 1.00 0.00 ATOM 284 C SER 70 -40.033 16.284 17.189 1.00 0.00 ATOM 285 N LEU 71 -39.848 14.975 17.277 1.00 0.00 ATOM 286 CA LEU 71 -38.850 14.428 18.172 1.00 0.00 ATOM 287 CB LEU 71 -39.473 14.093 19.528 1.00 0.00 ATOM 288 CG LEU 71 -40.407 12.881 19.564 1.00 0.00 ATOM 289 CD1 LEU 71 -40.655 12.437 20.998 1.00 0.00 ATOM 290 CD2 LEU 71 -41.749 13.219 18.933 1.00 0.00 ATOM 291 O LEU 71 -38.980 12.470 16.831 1.00 0.00 ATOM 292 C LEU 71 -38.281 13.177 17.569 1.00 0.00 ATOM 293 N THR 72 -37.014 12.902 17.883 1.00 0.00 ATOM 294 CA THR 72 -36.381 11.648 17.441 1.00 0.00 ATOM 295 CB THR 72 -34.858 11.807 17.288 1.00 0.00 ATOM 296 CG2 THR 72 -34.224 10.490 16.866 1.00 0.00 ATOM 297 OG1 THR 72 -34.574 12.798 16.292 1.00 0.00 ATOM 298 O THR 72 -36.638 10.813 19.706 1.00 0.00 ATOM 299 C THR 72 -36.653 10.552 18.469 1.00 0.00 ATOM 300 N ILE 73 -36.891 9.335 17.975 1.00 0.00 ATOM 301 CA ILE 73 -37.081 8.194 18.869 1.00 0.00 ATOM 302 CB ILE 73 -38.507 7.622 18.759 1.00 0.00 ATOM 303 CG1 ILE 73 -39.541 8.709 19.055 1.00 0.00 ATOM 304 CG2 ILE 73 -38.702 6.486 19.750 1.00 0.00 ATOM 305 CD1 ILE 73 -39.458 9.265 20.460 1.00 0.00 ATOM 306 O ILE 73 -35.882 6.913 17.265 1.00 0.00 ATOM 307 C ILE 73 -36.059 7.126 18.452 1.00 0.00 ATOM 308 N TYR 74 -35.398 6.484 19.420 1.00 0.00 ATOM 309 CA TYR 74 -34.464 5.387 19.118 1.00 0.00 ATOM 310 CB TYR 74 -33.057 5.730 19.615 1.00 0.00 ATOM 311 CG TYR 74 -32.438 6.924 18.924 1.00 0.00 ATOM 312 CD1 TYR 74 -32.603 8.206 19.432 1.00 0.00 ATOM 313 CD2 TYR 74 -31.688 6.765 17.765 1.00 0.00 ATOM 314 CE1 TYR 74 -32.041 9.303 18.808 1.00 0.00 ATOM 315 CE2 TYR 74 -31.117 7.849 17.126 1.00 0.00 ATOM 316 CZ TYR 74 -31.300 9.125 17.659 1.00 0.00 ATOM 317 OH TYR 74 -30.739 10.215 17.035 1.00 0.00 ATOM 318 O TYR 74 -35.494 4.267 20.947 1.00 0.00 ATOM 319 C TYR 74 -34.996 4.153 19.836 1.00 0.00 ATOM 320 N MET 75 -34.840 2.968 19.247 1.00 0.00 ATOM 321 CA MET 75 -35.350 1.766 19.895 1.00 0.00 ATOM 322 CB MET 75 -36.818 1.542 19.526 1.00 0.00 ATOM 323 CG MET 75 -37.452 0.339 20.206 1.00 0.00 ATOM 324 SD MET 75 -39.210 0.183 19.848 1.00 0.00 ATOM 325 CE MET 75 -39.163 -0.333 18.133 1.00 0.00 ATOM 326 O MET 75 -34.176 0.437 18.293 1.00 0.00 ATOM 327 C MET 75 -34.558 0.550 19.465 1.00 0.00 ATOM 328 N ILE 76 -34.347 -0.367 20.401 1.00 0.00 ATOM 329 CA ILE 76 -33.685 -1.620 20.068 1.00 0.00 ATOM 330 CB ILE 76 -32.174 -1.555 20.355 1.00 0.00 ATOM 331 CG1 ILE 76 -31.495 -2.862 19.941 1.00 0.00 ATOM 332 CG2 ILE 76 -31.922 -1.329 21.838 1.00 0.00 ATOM 333 CD1 ILE 76 -29.985 -2.782 19.909 1.00 0.00 ATOM 334 O ILE 76 -34.356 -2.722 22.086 1.00 0.00 ATOM 335 C ILE 76 -34.237 -2.780 20.862 1.00 0.00 ATOM 336 N SER 77 -34.567 -3.849 20.147 1.00 0.00 ATOM 337 CA SER 77 -34.913 -5.117 20.785 1.00 0.00 ATOM 338 CB SER 77 -36.071 -5.791 20.045 1.00 0.00 ATOM 339 OG SER 77 -37.248 -5.003 20.115 1.00 0.00 ATOM 340 O SER 77 -33.250 -6.422 19.677 1.00 0.00 ATOM 341 C SER 77 -33.701 -6.047 20.760 1.00 0.00 ATOM 342 N PRO 78 -33.174 -6.404 21.934 1.00 0.00 ATOM 343 CA PRO 78 -32.091 -7.362 22.048 1.00 0.00 ATOM 344 CB PRO 78 -32.708 -8.677 21.567 1.00 0.00 ATOM 345 CG PRO 78 -33.794 -8.260 20.633 1.00 0.00 ATOM 346 CD PRO 78 -34.355 -6.982 21.188 1.00 0.00 ATOM 347 O PRO 78 -30.424 -5.833 21.253 1.00 0.00 ATOM 348 C PRO 78 -30.902 -6.974 21.193 1.00 0.00 ATOM 349 N GLU 79 -30.458 -7.910 20.373 1.00 0.00 ATOM 350 CA GLU 79 -29.341 -7.656 19.465 1.00 0.00 ATOM 351 CB GLU 79 -28.430 -8.882 19.380 1.00 0.00 ATOM 352 CG GLU 79 -27.711 -9.212 20.677 1.00 0.00 ATOM 353 CD GLU 79 -26.842 -10.450 20.564 1.00 0.00 ATOM 354 OE1 GLU 79 -26.743 -11.006 19.451 1.00 0.00 ATOM 355 OE2 GLU 79 -26.264 -10.866 21.590 1.00 0.00 ATOM 356 O GLU 79 -28.925 -7.295 17.104 1.00 0.00 ATOM 357 C GLU 79 -29.765 -7.325 18.026 1.00 0.00 ATOM 358 N GLY 80 -31.057 -7.021 17.830 1.00 0.00 ATOM 359 CA GLY 80 -31.504 -6.611 16.509 1.00 0.00 ATOM 360 O GLY 80 -30.577 -4.496 17.118 1.00 0.00 ATOM 361 C GLY 80 -30.927 -5.242 16.197 1.00 0.00 ATOM 362 N GLU 81 -30.855 -4.894 14.910 1.00 0.00 ATOM 363 CA GLU 81 -30.365 -3.578 14.513 1.00 0.00 ATOM 364 CB GLU 81 -30.560 -3.364 13.011 1.00 0.00 ATOM 365 CG GLU 81 -30.037 -2.032 12.500 1.00 0.00 ATOM 366 CD GLU 81 -30.222 -1.868 11.004 1.00 0.00 ATOM 367 OE1 GLU 81 -30.710 -2.818 10.358 1.00 0.00 ATOM 368 OE2 GLU 81 -29.881 -0.787 10.479 1.00 0.00 ATOM 369 O GLU 81 -32.364 -2.471 15.294 1.00 0.00 ATOM 370 C GLU 81 -31.103 -2.480 15.246 1.00 0.00 ATOM 371 N LEU 82 -30.338 -1.545 15.799 1.00 0.00 ATOM 372 CA LEU 82 -30.996 -0.380 16.441 1.00 0.00 ATOM 373 CB LEU 82 -29.965 0.479 17.177 1.00 0.00 ATOM 374 CG LEU 82 -30.514 1.670 17.965 1.00 0.00 ATOM 375 CD1 LEU 82 -31.378 1.196 19.124 1.00 0.00 ATOM 376 CD2 LEU 82 -29.379 2.510 18.530 1.00 0.00 ATOM 377 O LEU 82 -31.109 0.866 14.359 1.00 0.00 ATOM 378 C LEU 82 -31.697 0.501 15.393 1.00 0.00 ATOM 379 N THR 83 -32.944 0.873 15.695 1.00 0.00 ATOM 380 CA THR 83 -33.729 1.685 14.760 1.00 0.00 ATOM 381 CB THR 83 -35.119 1.071 14.508 1.00 0.00 ATOM 382 CG2 THR 83 -34.984 -0.337 13.946 1.00 0.00 ATOM 383 OG1 THR 83 -35.849 1.010 15.739 1.00 0.00 ATOM 384 O THR 83 -34.107 3.274 16.493 1.00 0.00 ATOM 385 C THR 83 -33.940 3.094 15.304 1.00 0.00 ATOM 386 N THR 84 -33.969 4.085 14.421 1.00 0.00 ATOM 387 CA THR 84 -34.337 5.439 14.854 1.00 0.00 ATOM 388 CB THR 84 -33.093 6.297 15.146 1.00 0.00 ATOM 389 CG2 THR 84 -32.285 6.510 13.875 1.00 0.00 ATOM 390 OG1 THR 84 -33.497 7.572 15.658 1.00 0.00 ATOM 391 O THR 84 -34.901 6.028 12.615 1.00 0.00 ATOM 392 C THR 84 -35.154 6.178 13.795 1.00 0.00 ATOM 393 N ALA 85 -36.134 6.970 14.236 1.00 0.00 ATOM 394 CA ALA 85 -36.945 7.799 13.338 1.00 0.00 ATOM 395 CB ALA 85 -38.304 7.155 13.106 1.00 0.00 ATOM 396 O ALA 85 -37.251 9.284 15.197 1.00 0.00 ATOM 397 C ALA 85 -37.139 9.157 13.961 1.00 0.00 ATOM 398 N GLN 86 -37.244 10.165 13.116 1.00 0.00 ATOM 399 CA GLN 86 -37.664 11.479 13.585 1.00 0.00 ATOM 400 CB GLN 86 -36.882 12.579 12.863 1.00 0.00 ATOM 401 CG GLN 86 -37.206 13.985 13.341 1.00 0.00 ATOM 402 CD GLN 86 -36.344 15.040 12.675 1.00 0.00 ATOM 403 OE1 GLN 86 -35.367 14.721 11.998 1.00 0.00 ATOM 404 NE2 GLN 86 -36.706 16.303 12.864 1.00 0.00 ATOM 405 O GLN 86 -39.522 11.616 12.100 1.00 0.00 ATOM 406 C GLN 86 -39.147 11.581 13.272 1.00 0.00 ATOM 407 N LEU 87 -39.970 11.631 14.326 1.00 0.00 ATOM 408 CA LEU 87 -41.423 11.670 14.186 1.00 0.00 ATOM 409 CB LEU 87 -42.096 11.046 15.409 1.00 0.00 ATOM 410 CG LEU 87 -41.780 9.574 15.681 1.00 0.00 ATOM 411 CD1 LEU 87 -42.438 9.112 16.973 1.00 0.00 ATOM 412 CD2 LEU 87 -42.290 8.697 14.547 1.00 0.00 ATOM 413 O LEU 87 -41.407 13.971 14.806 1.00 0.00 ATOM 414 C LEU 87 -41.855 13.125 14.054 1.00 0.00 ATOM 415 N GLY 88 -42.715 13.416 13.086 1.00 0.00 ATOM 416 CA GLY 88 -43.311 14.747 12.963 1.00 0.00 ATOM 417 O GLY 88 -45.292 13.456 13.506 1.00 0.00 ATOM 418 C GLY 88 -44.839 14.529 13.116 1.00 0.00 ATOM 419 N LEU 89 -45.633 15.560 12.891 1.00 0.00 ATOM 420 CA LEU 89 -47.044 15.484 13.229 1.00 0.00 ATOM 421 CB LEU 89 -47.785 16.722 12.719 1.00 0.00 ATOM 422 CG LEU 89 -49.267 16.827 13.090 1.00 0.00 ATOM 423 CD1 LEU 89 -49.436 16.962 14.596 1.00 0.00 ATOM 424 CD2 LEU 89 -49.901 18.039 12.427 1.00 0.00 ATOM 425 O LEU 89 -47.802 14.067 11.439 1.00 0.00 ATOM 426 C LEU 89 -47.791 14.297 12.660 1.00 0.00 ATOM 430 N ARG 96 -48.472 13.582 13.541 1.00 0.00 ATOM 431 CA ARG 96 -49.214 12.434 13.090 1.00 0.00 ATOM 432 CB ARG 96 -49.735 12.658 11.669 1.00 0.00 ATOM 433 CG ARG 96 -50.777 13.759 11.556 1.00 0.00 ATOM 434 CD ARG 96 -51.226 13.949 10.117 1.00 0.00 ATOM 435 NE ARG 96 -50.184 14.560 9.294 1.00 0.00 ATOM 436 CZ ARG 96 -50.079 15.866 9.070 1.00 0.00 ATOM 437 NH1 ARG 96 -49.099 16.331 8.308 1.00 0.00 ATOM 438 NH2 ARG 96 -50.955 16.704 9.609 1.00 0.00 ATOM 439 O ARG 96 -49.038 10.068 12.822 1.00 0.00 ATOM 440 C ARG 96 -48.432 11.122 13.046 1.00 0.00 ATOM 441 N PRO 97 -47.117 11.150 13.266 1.00 0.00 ATOM 442 CA PRO 97 -46.339 9.901 13.256 1.00 0.00 ATOM 443 CB PRO 97 -44.908 10.359 12.967 1.00 0.00 ATOM 444 CG PRO 97 -44.823 11.721 13.570 1.00 0.00 ATOM 445 CD PRO 97 -46.162 12.363 13.340 1.00 0.00 ATOM 446 O PRO 97 -46.667 9.715 15.651 1.00 0.00 ATOM 447 C PRO 97 -46.401 9.139 14.583 1.00 0.00 ATOM 448 N GLN 98 -46.075 7.848 14.520 1.00 0.00 ATOM 449 CA GLN 98 -46.272 6.930 15.643 1.00 0.00 ATOM 450 CB GLN 98 -47.525 6.078 15.426 1.00 0.00 ATOM 451 CG GLN 98 -48.823 6.868 15.460 1.00 0.00 ATOM 452 CD GLN 98 -50.046 5.987 15.300 1.00 0.00 ATOM 453 OE1 GLN 98 -49.931 4.766 15.172 1.00 0.00 ATOM 454 NE2 GLN 98 -51.223 6.600 15.306 1.00 0.00 ATOM 455 O GLN 98 -44.516 5.523 14.775 1.00 0.00 ATOM 456 C GLN 98 -45.083 5.994 15.793 1.00 0.00 ATOM 457 N PHE 99 -44.656 5.783 17.052 1.00 0.00 ATOM 458 CA PHE 99 -43.610 4.840 17.378 1.00 0.00 ATOM 459 CB PHE 99 -42.369 5.572 17.894 1.00 0.00 ATOM 460 CG PHE 99 -41.233 4.660 18.253 1.00 0.00 ATOM 461 CD1 PHE 99 -40.444 4.091 17.268 1.00 0.00 ATOM 462 CD2 PHE 99 -40.951 4.369 19.578 1.00 0.00 ATOM 463 CE1 PHE 99 -39.397 3.251 17.599 1.00 0.00 ATOM 464 CE2 PHE 99 -39.904 3.528 19.907 1.00 0.00 ATOM 465 CZ PHE 99 -39.128 2.970 18.926 1.00 0.00 ATOM 466 O PHE 99 -44.612 4.299 19.486 1.00 0.00 ATOM 467 C PHE 99 -44.087 3.880 18.452 1.00 0.00 ATOM 468 N LEU 100 -43.902 2.577 18.205 1.00 0.00 ATOM 469 CA LEU 100 -44.366 1.542 19.139 1.00 0.00 ATOM 470 CB LEU 100 -45.083 0.420 18.385 1.00 0.00 ATOM 471 CG LEU 100 -46.323 0.824 17.586 1.00 0.00 ATOM 472 CD1 LEU 100 -46.881 -0.366 16.821 1.00 0.00 ATOM 473 CD2 LEU 100 -47.411 1.346 18.513 1.00 0.00 ATOM 474 O LEU 100 -42.224 0.482 19.248 1.00 0.00 ATOM 475 C LEU 100 -43.175 0.954 19.882 1.00 0.00 ATOM 476 N VAL 101 -43.245 0.930 21.209 1.00 0.00 ATOM 477 CA VAL 101 -42.123 0.415 22.029 1.00 0.00 ATOM 478 CB VAL 101 -41.462 1.538 22.850 1.00 0.00 ATOM 479 CG1 VAL 101 -40.266 1.001 23.621 1.00 0.00 ATOM 480 CG2 VAL 101 -40.981 2.654 21.935 1.00 0.00 ATOM 481 O VAL 101 -43.012 -0.367 24.173 1.00 0.00 ATOM 482 C VAL 101 -42.642 -0.656 23.007 1.00 0.00 ATOM 483 N PRO 102 -42.682 -1.900 22.539 1.00 0.00 ATOM 484 CA PRO 102 -43.041 -3.040 23.391 1.00 0.00 ATOM 485 CB PRO 102 -42.882 -4.253 22.472 1.00 0.00 ATOM 486 CG PRO 102 -42.949 -3.688 21.093 1.00 0.00 ATOM 487 CD PRO 102 -42.337 -2.318 21.174 1.00 0.00 ATOM 488 O PRO 102 -41.067 -2.547 24.713 1.00 0.00 ATOM 489 C PRO 102 -42.147 -3.171 24.614 1.00 0.00 ATOM 490 N LYS 103 -42.602 -4.007 25.536 1.00 0.00 ATOM 491 CA LYS 103 -41.807 -4.364 26.701 1.00 0.00 ATOM 492 CB LYS 103 -42.503 -5.461 27.507 1.00 0.00 ATOM 493 CG LYS 103 -42.536 -6.815 26.816 1.00 0.00 ATOM 494 CD LYS 103 -43.246 -7.854 27.668 1.00 0.00 ATOM 495 CE LYS 103 -43.242 -9.216 26.995 1.00 0.00 ATOM 496 NZ LYS 103 -43.913 -10.250 27.831 1.00 0.00 ATOM 497 O LYS 103 -40.312 -5.495 25.210 1.00 0.00 ATOM 498 C LYS 103 -40.440 -4.872 26.265 1.00 0.00 ATOM 499 N GLY 104 -39.437 -4.610 27.092 1.00 0.00 ATOM 500 CA GLY 104 -38.063 -5.080 26.876 1.00 0.00 ATOM 501 O GLY 104 -36.487 -5.136 25.091 1.00 0.00 ATOM 502 C GLY 104 -37.389 -4.515 25.638 1.00 0.00 ATOM 503 N CYS 105 -37.803 -3.322 25.230 1.00 0.00 ATOM 504 CA CYS 105 -37.170 -2.626 24.115 1.00 0.00 ATOM 505 CB CYS 105 -38.217 -2.203 23.083 1.00 0.00 ATOM 506 SG CYS 105 -39.092 -3.579 22.301 1.00 0.00 ATOM 507 O CYS 105 -37.110 -0.540 25.257 1.00 0.00 ATOM 508 C CYS 105 -36.477 -1.409 24.658 1.00 0.00 ATOM 509 N ILE 106 -35.167 -1.344 24.446 1.00 0.00 ATOM 510 CA ILE 106 -34.375 -0.196 24.895 1.00 0.00 ATOM 511 CB ILE 106 -32.865 -0.452 24.730 1.00 0.00 ATOM 512 CG1 ILE 106 -32.421 -1.615 25.620 1.00 0.00 ATOM 513 CG2 ILE 106 -32.070 0.785 25.117 1.00 0.00 ATOM 514 CD1 ILE 106 -31.010 -2.087 25.347 1.00 0.00 ATOM 515 O ILE 106 -34.895 0.946 22.875 1.00 0.00 ATOM 516 C ILE 106 -34.743 1.035 24.077 1.00 0.00 ATOM 517 N PHE 107 -34.947 2.174 24.734 1.00 0.00 ATOM 518 CA PHE 107 -35.370 3.362 23.983 1.00 0.00 ATOM 519 CB PHE 107 -36.890 3.371 23.810 1.00 0.00 ATOM 520 CG PHE 107 -37.648 3.474 25.103 1.00 0.00 ATOM 521 CD1 PHE 107 -38.036 4.707 25.598 1.00 0.00 ATOM 522 CD2 PHE 107 -37.971 2.339 25.825 1.00 0.00 ATOM 523 CE1 PHE 107 -38.733 4.801 26.787 1.00 0.00 ATOM 524 CE2 PHE 107 -38.667 2.433 27.014 1.00 0.00 ATOM 525 CZ PHE 107 -39.049 3.658 27.497 1.00 0.00 ATOM 526 O PHE 107 -34.661 4.672 25.864 1.00 0.00 ATOM 527 C PHE 107 -34.983 4.662 24.679 1.00 0.00 ATOM 528 N GLY 108 -34.957 5.723 23.882 1.00 0.00 ATOM 529 CA GLY 108 -34.800 7.093 24.354 1.00 0.00 ATOM 530 O GLY 108 -35.750 7.552 22.197 1.00 0.00 ATOM 531 C GLY 108 -35.380 8.021 23.272 1.00 0.00 ATOM 532 N SER 109 -35.495 9.320 23.564 1.00 0.00 ATOM 533 CA SER 109 -36.003 10.274 22.581 1.00 0.00 ATOM 534 CB SER 109 -37.502 10.508 22.787 1.00 0.00 ATOM 535 OG SER 109 -37.754 11.142 24.028 1.00 0.00 ATOM 536 O SER 109 -34.549 11.810 23.722 1.00 0.00 ATOM 537 C SER 109 -35.267 11.602 22.738 1.00 0.00 ATOM 538 N ALA 110 -35.460 12.508 21.773 1.00 0.00 ATOM 539 CA ALA 110 -34.847 13.843 21.843 1.00 0.00 ATOM 540 CB ALA 110 -33.503 13.847 21.128 1.00 0.00 ATOM 541 O ALA 110 -36.237 14.543 20.022 1.00 0.00 ATOM 542 C ALA 110 -35.811 14.786 21.166 1.00 0.00 ATOM 543 N MET 111 -36.121 15.896 21.835 1.00 0.00 ATOM 544 CA MET 111 -37.077 16.862 21.280 1.00 0.00 ATOM 545 CB MET 111 -37.664 17.735 22.392 1.00 0.00 ATOM 546 CG MET 111 -38.462 16.962 23.429 1.00 0.00 ATOM 547 SD MET 111 -39.853 16.067 22.714 1.00 0.00 ATOM 548 CE MET 111 -40.918 17.423 22.232 1.00 0.00 ATOM 549 O MET 111 -35.360 18.365 20.596 1.00 0.00 ATOM 550 C MET 111 -36.371 17.763 20.266 1.00 0.00 ATOM 551 N ASN 112 -36.909 17.876 19.039 1.00 0.00 ATOM 552 CA ASN 112 -36.255 18.642 17.978 1.00 0.00 ATOM 553 CB ASN 112 -36.353 17.900 16.643 1.00 0.00 ATOM 554 CG ASN 112 -35.533 16.626 16.625 1.00 0.00 ATOM 555 ND2 ASN 112 -35.953 15.665 15.809 1.00 0.00 ATOM 556 OD1 ASN 112 -34.535 16.508 17.335 1.00 0.00 ATOM 557 O ASN 112 -36.150 21.005 17.744 1.00 0.00 ATOM 558 C ASN 112 -36.871 20.031 17.760 1.00 0.00 ATOM 559 N GLN 113 -38.187 20.135 17.614 1.00 0.00 ATOM 560 CA GLN 113 -38.745 21.437 17.215 1.00 0.00 ATOM 561 CB GLN 113 -39.904 21.246 16.236 1.00 0.00 ATOM 562 CG GLN 113 -39.518 20.544 14.945 1.00 0.00 ATOM 563 CD GLN 113 -38.511 21.334 14.130 1.00 0.00 ATOM 564 OE1 GLN 113 -38.732 22.505 13.821 1.00 0.00 ATOM 565 NE2 GLN 113 -37.402 20.695 13.780 1.00 0.00 ATOM 566 O GLN 113 -39.643 21.612 19.435 1.00 0.00 ATOM 567 C GLN 113 -39.271 22.215 18.422 1.00 0.00 ATOM 568 N ASP 114 -39.321 23.548 18.322 1.00 0.00 ATOM 569 CA ASP 114 -39.786 24.398 19.433 1.00 0.00 ATOM 570 CB ASP 114 -39.815 25.867 19.008 1.00 0.00 ATOM 571 CG ASP 114 -38.428 26.465 18.884 1.00 0.00 ATOM 572 OD1 ASP 114 -37.462 25.827 19.351 1.00 0.00 ATOM 573 OD2 ASP 114 -38.307 27.574 18.320 1.00 0.00 ATOM 574 O ASP 114 -41.375 24.164 21.183 1.00 0.00 ATOM 575 C ASP 114 -41.170 24.111 19.966 1.00 0.00 ATOM 576 N GLY 115 -42.129 23.813 19.093 1.00 0.00 ATOM 577 CA GLY 115 -43.468 23.572 19.615 1.00 0.00 ATOM 578 O GLY 115 -44.658 21.695 18.756 1.00 0.00 ATOM 579 C GLY 115 -43.784 22.082 19.519 1.00 0.00 ATOM 580 N PHE 116 -43.061 21.249 20.257 1.00 0.00 ATOM 581 CA PHE 116 -43.253 19.805 20.175 1.00 0.00 ATOM 582 CB PHE 116 -41.918 19.077 20.343 1.00 0.00 ATOM 583 CG PHE 116 -42.033 17.580 20.298 1.00 0.00 ATOM 584 CD1 PHE 116 -42.156 16.918 19.088 1.00 0.00 ATOM 585 CD2 PHE 116 -42.022 16.834 21.463 1.00 0.00 ATOM 586 CE1 PHE 116 -42.263 15.541 19.045 1.00 0.00 ATOM 587 CE2 PHE 116 -42.129 15.457 21.419 1.00 0.00 ATOM 588 CZ PHE 116 -42.249 14.810 20.218 1.00 0.00 ATOM 589 O PHE 116 -44.120 19.765 22.402 1.00 0.00 ATOM 590 C PHE 116 -44.187 19.318 21.246 1.00 0.00 ATOM 591 N SER 117 -45.114 18.441 20.834 1.00 0.00 ATOM 592 CA SER 117 -46.025 17.756 21.746 1.00 0.00 ATOM 593 CB SER 117 -47.448 18.298 21.591 1.00 0.00 ATOM 594 OG SER 117 -48.344 17.634 22.465 1.00 0.00 ATOM 595 O SER 117 -46.193 15.840 20.247 1.00 0.00 ATOM 596 C SER 117 -46.017 16.267 21.426 1.00 0.00 ATOM 597 N LEU 118 -45.770 15.493 22.475 1.00 0.00 ATOM 598 CA LEU 118 -45.721 14.029 22.419 1.00 0.00 ATOM 599 CB LEU 118 -44.434 13.511 23.066 1.00 0.00 ATOM 600 CG LEU 118 -44.275 11.991 23.133 1.00 0.00 ATOM 601 CD1 LEU 118 -44.137 11.403 21.736 1.00 0.00 ATOM 602 CD2 LEU 118 -43.036 11.616 23.931 1.00 0.00 ATOM 603 O LEU 118 -47.170 14.034 24.312 1.00 0.00 ATOM 604 C LEU 118 -46.947 13.571 23.187 1.00 0.00 ATOM 605 N VAL 119 -47.714 12.641 22.631 1.00 0.00 ATOM 606 CA VAL 119 -48.776 11.988 23.413 1.00 0.00 ATOM 607 CB VAL 119 -50.101 11.932 22.630 1.00 0.00 ATOM 608 CG1 VAL 119 -51.170 11.221 23.446 1.00 0.00 ATOM 609 CG2 VAL 119 -50.592 13.335 22.312 1.00 0.00 ATOM 610 O VAL 119 -47.891 9.844 22.776 1.00 0.00 ATOM 611 C VAL 119 -48.271 10.579 23.705 1.00 0.00 ATOM 612 N GLY 120 -48.222 10.222 24.990 1.00 0.00 ATOM 613 CA GLY 120 -47.735 8.917 25.406 1.00 0.00 ATOM 614 O GLY 120 -49.786 8.566 26.599 1.00 0.00 ATOM 615 C GLY 120 -48.922 8.074 25.836 1.00 0.00 ATOM 616 N CYS 121 -49.015 6.856 25.295 1.00 0.00 ATOM 617 CA CYS 121 -50.043 5.918 25.745 1.00 0.00 ATOM 618 CB CYS 121 -50.939 5.502 24.575 1.00 0.00 ATOM 619 SG CYS 121 -52.283 4.380 25.026 1.00 0.00 ATOM 620 O CYS 121 -48.518 4.074 25.586 1.00 0.00 ATOM 621 C CYS 121 -49.298 4.715 26.305 1.00 0.00 ATOM 622 N MET 122 -49.501 4.427 27.596 1.00 0.00 ATOM 623 CA MET 122 -48.709 3.419 28.291 1.00 0.00 ATOM 624 CB MET 122 -47.845 4.068 29.374 1.00 0.00 ATOM 625 CG MET 122 -46.766 4.995 28.836 1.00 0.00 ATOM 626 SD MET 122 -45.762 5.726 30.142 1.00 0.00 ATOM 627 CE MET 122 -44.772 6.884 29.200 1.00 0.00 ATOM 628 O MET 122 -50.718 2.830 29.509 1.00 0.00 ATOM 629 C MET 122 -49.688 2.436 28.918 1.00 0.00 ATOM 630 N VAL 123 -49.392 1.159 28.742 1.00 0.00 ATOM 631 CA VAL 123 -50.292 0.097 29.173 1.00 0.00 ATOM 632 CB VAL 123 -50.926 -0.628 27.971 1.00 0.00 ATOM 633 CG1 VAL 123 -51.833 -1.753 28.446 1.00 0.00 ATOM 634 CG2 VAL 123 -51.754 0.341 27.142 1.00 0.00 ATOM 635 O VAL 123 -48.389 -1.311 29.549 1.00 0.00 ATOM 636 C VAL 123 -49.465 -0.902 29.996 1.00 0.00 ATOM 637 N SER 124 -49.904 -1.297 31.185 1.00 0.00 ATOM 638 CA SER 124 -51.144 -0.833 31.827 1.00 0.00 ATOM 639 CB SER 124 -51.563 -1.795 32.942 1.00 0.00 ATOM 640 OG SER 124 -50.649 -1.749 34.023 1.00 0.00 ATOM 641 O SER 124 -49.947 1.162 32.381 1.00 0.00 ATOM 642 C SER 124 -51.017 0.545 32.456 1.00 0.00 ATOM 643 N PRO 125 -52.097 1.013 33.094 1.00 0.00 ATOM 644 CA PRO 125 -52.122 2.359 33.642 1.00 0.00 ATOM 645 CB PRO 125 -53.612 2.659 33.820 1.00 0.00 ATOM 646 CG PRO 125 -54.227 1.330 34.108 1.00 0.00 ATOM 647 CD PRO 125 -53.488 0.334 33.260 1.00 0.00 ATOM 648 O PRO 125 -51.092 1.440 35.599 1.00 0.00 ATOM 649 C PRO 125 -51.391 2.463 34.967 1.00 0.00 ATOM 650 N GLY 126 -51.100 3.696 35.390 1.00 0.00 ATOM 651 CA GLY 126 -50.419 3.901 36.675 1.00 0.00 ATOM 652 O GLY 126 -48.292 4.574 37.538 1.00 0.00 ATOM 653 C GLY 126 -48.930 4.230 36.547 1.00 0.00 ATOM 654 N PHE 127 -48.391 4.115 35.328 1.00 0.00 ATOM 655 CA PHE 127 -46.991 4.413 35.055 1.00 0.00 ATOM 656 CB PHE 127 -46.693 4.266 33.562 1.00 0.00 ATOM 657 CG PHE 127 -45.252 4.494 33.207 1.00 0.00 ATOM 658 CD1 PHE 127 -44.304 3.513 33.436 1.00 0.00 ATOM 659 CD2 PHE 127 -44.844 5.691 32.642 1.00 0.00 ATOM 660 CE1 PHE 127 -42.978 3.723 33.108 1.00 0.00 ATOM 661 CE2 PHE 127 -43.517 5.900 32.315 1.00 0.00 ATOM 662 CZ PHE 127 -42.585 4.924 32.546 1.00 0.00 ATOM 663 O PHE 127 -45.468 6.086 35.841 1.00 0.00 ATOM 664 C PHE 127 -46.604 5.845 35.462 1.00 0.00 TER END