PFRMAT TS TARGET T0231 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 using SCWRL to optimize the sidechains on a METHOD backbone copied from 1f7sA using alignment METHOD T0231-1f7sA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5.a2m REMARK 6 REMARK 6 T0231 model 4 Fri Jul 9 09:43:58 2004 MODEL 4 PARENT 1f7s_A ATOM 2 N VAL 6 11.840 -4.048 -21.572 1.00 0.00 ATOM 3 CA VAL 6 11.607 -2.770 -20.909 1.00 0.00 ATOM 4 CB VAL 6 10.322 -2.094 -21.423 1.00 0.00 ATOM 5 CG1 VAL 6 10.430 -1.808 -22.913 1.00 0.00 ATOM 6 CG2 VAL 6 9.118 -2.995 -21.192 1.00 0.00 ATOM 7 O VAL 6 11.112 -4.037 -18.918 1.00 0.00 ATOM 8 C VAL 6 11.460 -2.951 -19.398 1.00 0.00 ATOM 9 N VAL 7 11.729 -1.879 -18.657 1.00 0.00 ATOM 10 CA VAL 7 11.632 -1.928 -17.208 1.00 0.00 ATOM 11 CB VAL 7 12.609 -0.941 -16.544 1.00 0.00 ATOM 12 CG1 VAL 7 14.044 -1.281 -16.914 1.00 0.00 ATOM 13 CG2 VAL 7 12.320 0.482 -16.998 1.00 0.00 ATOM 14 O VAL 7 9.310 -1.409 -17.490 1.00 0.00 ATOM 15 C VAL 7 10.246 -1.577 -16.703 1.00 0.00 ATOM 16 N CYS 8 10.117 -1.466 -15.383 1.00 0.00 ATOM 17 CA CYS 8 8.840 -1.140 -14.761 1.00 0.00 ATOM 18 CB CYS 8 8.675 -1.904 -13.446 1.00 0.00 ATOM 19 SG CYS 8 7.096 -1.620 -12.612 1.00 0.00 ATOM 20 O CYS 8 9.403 0.845 -13.551 1.00 0.00 ATOM 21 C CYS 8 8.737 0.343 -14.459 1.00 0.00 ATOM 22 N GLU 9 7.899 1.045 -15.215 1.00 0.00 ATOM 23 CA GLU 9 7.716 2.474 -15.006 1.00 0.00 ATOM 24 CB GLU 9 7.358 3.167 -16.323 1.00 0.00 ATOM 25 CG GLU 9 8.460 3.118 -17.368 1.00 0.00 ATOM 26 CD GLU 9 8.072 3.817 -18.657 1.00 0.00 ATOM 27 OE1 GLU 9 6.897 4.222 -18.781 1.00 0.00 ATOM 28 OE2 GLU 9 8.943 3.960 -19.540 1.00 0.00 ATOM 29 O GLU 9 5.890 1.768 -13.609 1.00 0.00 ATOM 30 C GLU 9 6.588 2.706 -14.004 1.00 0.00 ATOM 31 N VAL 10 6.421 3.959 -13.595 1.00 0.00 ATOM 32 CA VAL 10 5.377 4.326 -12.643 1.00 0.00 ATOM 33 CB VAL 10 5.970 4.720 -11.278 1.00 0.00 ATOM 34 CG1 VAL 10 4.867 5.124 -10.314 1.00 0.00 ATOM 35 CG2 VAL 10 6.735 3.553 -10.671 1.00 0.00 ATOM 36 O VAL 10 5.185 6.565 -13.477 1.00 0.00 ATOM 37 C VAL 10 4.607 5.510 -13.208 1.00 0.00 ATOM 38 N ASP 11 3.303 5.336 -13.397 1.00 0.00 ATOM 39 CA ASP 11 2.477 6.407 -13.940 1.00 0.00 ATOM 40 CB ASP 11 1.045 5.917 -14.167 1.00 0.00 ATOM 41 CG ASP 11 0.155 6.980 -14.780 1.00 0.00 ATOM 42 OD1 ASP 11 0.360 7.316 -15.965 1.00 0.00 ATOM 43 OD2 ASP 11 -0.747 7.479 -14.073 1.00 0.00 ATOM 44 O ASP 11 2.307 7.411 -11.762 1.00 0.00 ATOM 45 C ASP 11 2.435 7.593 -12.974 1.00 0.00 ATOM 46 N PRO 12 2.551 8.802 -13.524 1.00 0.00 ATOM 47 CA PRO 12 2.536 10.038 -12.737 1.00 0.00 ATOM 48 CB PRO 12 2.381 11.142 -13.785 1.00 0.00 ATOM 49 CG PRO 12 3.025 10.586 -15.010 1.00 0.00 ATOM 50 CD PRO 12 2.653 9.131 -15.054 1.00 0.00 ATOM 51 O PRO 12 1.586 10.656 -10.626 1.00 0.00 ATOM 52 C PRO 12 1.402 10.125 -11.718 1.00 0.00 ATOM 53 N GLU 13 0.230 9.623 -12.086 1.00 0.00 ATOM 54 CA GLU 13 -0.935 9.659 -11.207 1.00 0.00 ATOM 55 CB GLU 13 -2.139 9.002 -11.884 1.00 0.00 ATOM 56 CG GLU 13 -2.721 9.808 -13.034 1.00 0.00 ATOM 57 CD GLU 13 -3.854 9.086 -13.737 1.00 0.00 ATOM 58 OE1 GLU 13 -4.125 7.919 -13.383 1.00 0.00 ATOM 59 OE2 GLU 13 -4.469 9.687 -14.642 1.00 0.00 ATOM 60 O GLU 13 -1.451 9.189 -8.913 1.00 0.00 ATOM 61 C GLU 13 -0.730 8.934 -9.880 1.00 0.00 ATOM 62 N LEU 14 0.244 8.030 -9.836 1.00 0.00 ATOM 63 CA LEU 14 0.518 7.276 -8.619 1.00 0.00 ATOM 64 CB LEU 14 1.566 6.193 -8.885 1.00 0.00 ATOM 65 CG LEU 14 1.123 5.022 -9.765 1.00 0.00 ATOM 66 CD1 LEU 14 2.304 4.126 -10.101 1.00 0.00 ATOM 67 CD2 LEU 14 0.075 4.181 -9.054 1.00 0.00 ATOM 68 O LEU 14 0.603 8.096 -6.367 1.00 0.00 ATOM 69 C LEU 14 1.046 8.181 -7.519 1.00 0.00 ATOM 70 N LYS 15 1.997 9.044 -7.871 1.00 0.00 ATOM 71 CA LYS 15 2.576 9.946 -6.889 1.00 0.00 ATOM 72 CB LYS 15 3.836 10.611 -7.450 1.00 0.00 ATOM 73 CG LYS 15 5.016 9.666 -7.608 1.00 0.00 ATOM 74 CD LYS 15 6.233 10.391 -8.163 1.00 0.00 ATOM 75 CE LYS 15 7.402 9.439 -8.354 1.00 0.00 ATOM 76 NZ LYS 15 8.594 10.131 -8.920 1.00 0.00 ATOM 77 O LYS 15 1.421 11.381 -5.367 1.00 0.00 ATOM 78 C LYS 15 1.567 11.030 -6.531 1.00 0.00 ATOM 79 N GLU 16 0.851 11.533 -7.535 1.00 0.00 ATOM 80 CA GLU 16 -0.145 12.579 -7.327 1.00 0.00 ATOM 81 CB GLU 16 -0.840 12.929 -8.645 1.00 0.00 ATOM 82 CG GLU 16 0.044 13.669 -9.635 1.00 0.00 ATOM 83 CD GLU 16 -0.635 13.888 -10.971 1.00 0.00 ATOM 84 OE1 GLU 16 -1.770 13.398 -11.150 1.00 0.00 ATOM 85 OE2 GLU 16 -0.034 14.553 -11.843 1.00 0.00 ATOM 86 O GLU 16 -1.612 12.937 -5.463 1.00 0.00 ATOM 87 C GLU 16 -1.229 12.163 -6.336 1.00 0.00 ATOM 88 N THR 17 -1.738 10.945 -6.482 1.00 0.00 ATOM 89 CA THR 17 -2.774 10.464 -5.575 1.00 0.00 ATOM 90 CB THR 17 -3.338 9.105 -6.033 1.00 0.00 ATOM 91 CG2 THR 17 -4.386 8.605 -5.052 1.00 0.00 ATOM 92 OG1 THR 17 -3.938 9.245 -7.325 1.00 0.00 ATOM 93 O THR 17 -2.822 10.605 -3.179 1.00 0.00 ATOM 94 C THR 17 -2.175 10.303 -4.182 1.00 0.00 ATOM 95 N LEU 18 -0.934 9.826 -4.132 1.00 0.00 ATOM 96 CA LEU 18 -0.237 9.638 -2.868 1.00 0.00 ATOM 97 CB LEU 18 1.109 8.946 -3.096 1.00 0.00 ATOM 98 CG LEU 18 1.053 7.484 -3.543 1.00 0.00 ATOM 99 CD1 LEU 18 2.441 6.978 -3.903 1.00 0.00 ATOM 100 CD2 LEU 18 0.500 6.603 -2.432 1.00 0.00 ATOM 101 O LEU 18 -0.076 11.103 -0.972 1.00 0.00 ATOM 102 C LEU 18 0.021 10.982 -2.193 1.00 0.00 ATOM 103 N ARG 19 0.367 11.987 -2.990 1.00 0.00 ATOM 104 CA ARG 19 0.629 13.315 -2.450 1.00 0.00 ATOM 105 CB ARG 19 1.094 14.261 -3.558 1.00 0.00 ATOM 106 CG ARG 19 2.493 13.969 -4.078 1.00 0.00 ATOM 107 CD ARG 19 2.861 14.899 -5.225 1.00 0.00 ATOM 108 NE ARG 19 4.192 14.612 -5.755 1.00 0.00 ATOM 109 CZ ARG 19 4.726 15.228 -6.803 1.00 0.00 ATOM 110 NH1 ARG 19 5.942 14.901 -7.215 1.00 0.00 ATOM 111 NH2 ARG 19 4.041 16.169 -7.439 1.00 0.00 ATOM 112 O ARG 19 -0.518 14.592 -0.789 1.00 0.00 ATOM 113 C ARG 19 -0.612 13.922 -1.813 1.00 0.00 ATOM 114 N LYS 20 -1.773 13.700 -2.418 1.00 0.00 ATOM 115 CA LYS 20 -3.018 14.225 -1.864 1.00 0.00 ATOM 116 CB LYS 20 -4.187 13.940 -2.809 1.00 0.00 ATOM 117 CG LYS 20 -4.157 14.749 -4.095 1.00 0.00 ATOM 118 CD LYS 20 -5.348 14.422 -4.982 1.00 0.00 ATOM 119 CE LYS 20 -5.300 15.205 -6.283 1.00 0.00 ATOM 120 NZ LYS 20 -6.447 14.876 -7.173 1.00 0.00 ATOM 121 O LYS 20 -3.702 14.223 0.455 1.00 0.00 ATOM 122 C LYS 20 -3.300 13.560 -0.509 1.00 0.00 ATOM 123 N PHE 21 -3.072 12.250 -0.441 1.00 0.00 ATOM 124 CA PHE 21 -3.298 11.502 0.793 1.00 0.00 ATOM 125 CB PHE 21 -3.048 10.009 0.568 1.00 0.00 ATOM 126 CG PHE 21 -3.220 9.172 1.803 1.00 0.00 ATOM 127 CD1 PHE 21 -4.483 8.809 2.240 1.00 0.00 ATOM 128 CD2 PHE 21 -2.121 8.747 2.527 1.00 0.00 ATOM 129 CE1 PHE 21 -4.641 8.039 3.377 1.00 0.00 ATOM 130 CE2 PHE 21 -2.279 7.976 3.664 1.00 0.00 ATOM 131 CZ PHE 21 -3.533 7.622 4.090 1.00 0.00 ATOM 132 O PHE 21 -2.778 12.231 3.027 1.00 0.00 ATOM 133 C PHE 21 -2.358 11.985 1.897 1.00 0.00 ATOM 134 N ARG 22 -1.086 12.134 1.554 1.00 0.00 ATOM 135 CA ARG 22 -0.085 12.569 2.519 1.00 0.00 ATOM 136 CB ARG 22 1.322 12.424 1.935 1.00 0.00 ATOM 137 CG ARG 22 2.435 12.818 2.891 1.00 0.00 ATOM 138 CD ARG 22 3.797 12.718 2.225 1.00 0.00 ATOM 139 NE ARG 22 3.944 13.679 1.134 1.00 0.00 ATOM 140 CZ ARG 22 4.204 14.971 1.307 1.00 0.00 ATOM 141 NH1 ARG 22 4.322 15.770 0.256 1.00 0.00 ATOM 142 NH2 ARG 22 4.346 15.461 2.532 1.00 0.00 ATOM 143 O ARG 22 -0.187 14.352 4.122 1.00 0.00 ATOM 144 C ARG 22 -0.247 14.031 2.938 1.00 0.00 ATOM 148 N LYS 25 -0.466 14.912 1.966 1.00 0.00 ATOM 149 CA LYS 25 -0.601 16.335 2.252 1.00 0.00 ATOM 150 CB LYS 25 -0.289 17.164 1.004 1.00 0.00 ATOM 151 CG LYS 25 1.170 17.123 0.581 1.00 0.00 ATOM 152 CD LYS 25 1.421 18.011 -0.627 1.00 0.00 ATOM 153 CE LYS 25 2.876 17.955 -1.064 1.00 0.00 ATOM 154 NZ LYS 25 3.132 18.809 -2.255 1.00 0.00 ATOM 155 O LYS 25 -2.080 17.621 3.627 1.00 0.00 ATOM 156 C LYS 25 -1.977 16.798 2.715 1.00 0.00 ATOM 157 N GLU 26 -3.031 16.282 2.091 1.00 0.00 ATOM 158 CA GLU 26 -4.382 16.702 2.444 1.00 0.00 ATOM 159 CB GLU 26 -5.171 17.077 1.188 1.00 0.00 ATOM 160 CG GLU 26 -4.591 18.252 0.418 1.00 0.00 ATOM 161 CD GLU 26 -5.406 18.603 -0.811 1.00 0.00 ATOM 162 OE1 GLU 26 -6.441 17.944 -1.046 1.00 0.00 ATOM 163 OE2 GLU 26 -5.011 19.538 -1.539 1.00 0.00 ATOM 164 O GLU 26 -6.305 15.969 3.655 1.00 0.00 ATOM 165 C GLU 26 -5.221 15.656 3.167 1.00 0.00 ATOM 166 N THR 27 -4.721 14.424 3.236 1.00 0.00 ATOM 167 CA THR 27 -5.440 13.340 3.907 1.00 0.00 ATOM 168 CB THR 27 -5.565 13.597 5.420 1.00 0.00 ATOM 169 CG2 THR 27 -4.188 13.708 6.057 1.00 0.00 ATOM 170 OG1 THR 27 -6.278 14.821 5.642 1.00 0.00 ATOM 171 O THR 27 -7.816 12.987 4.069 1.00 0.00 ATOM 172 C THR 27 -6.850 13.201 3.336 1.00 0.00 ATOM 173 N ASN 28 -6.954 13.313 2.018 1.00 0.00 ATOM 174 CA ASN 28 -8.237 13.210 1.341 1.00 0.00 ATOM 175 CB ASN 28 -8.249 14.079 0.081 1.00 0.00 ATOM 176 CG ASN 28 -8.255 15.561 0.397 1.00 0.00 ATOM 177 ND2 ASN 28 -7.720 16.362 -0.518 1.00 0.00 ATOM 178 OD1 ASN 28 -8.736 15.980 1.450 1.00 0.00 ATOM 179 O ASN 28 -9.700 11.566 0.389 1.00 0.00 ATOM 180 C ASN 28 -8.602 11.794 0.893 1.00 0.00 ATOM 181 N ASN 29 -7.688 10.842 1.081 1.00 0.00 ATOM 182 CA ASN 29 -7.948 9.459 0.691 1.00 0.00 ATOM 183 CB ASN 29 -7.152 9.098 -0.564 1.00 0.00 ATOM 184 CG ASN 29 -7.512 9.967 -1.753 1.00 0.00 ATOM 185 ND2 ASN 29 -6.606 10.865 -2.124 1.00 0.00 ATOM 186 OD1 ASN 29 -8.592 9.831 -2.328 1.00 0.00 ATOM 187 O ASN 29 -6.425 8.602 2.336 1.00 0.00 ATOM 188 C ASN 29 -7.539 8.512 1.820 1.00 0.00 ATOM 189 N ALA 30 -8.435 7.604 2.195 1.00 0.00 ATOM 190 CA ALA 30 -8.140 6.631 3.248 1.00 0.00 ATOM 191 CB ALA 30 -9.391 5.848 3.615 1.00 0.00 ATOM 192 O ALA 30 -6.170 5.251 3.486 1.00 0.00 ATOM 193 C ALA 30 -7.069 5.664 2.744 1.00 0.00 ATOM 194 N ALA 31 -7.175 5.316 1.469 1.00 0.00 ATOM 195 CA ALA 31 -6.248 4.374 0.869 1.00 0.00 ATOM 196 CB ALA 31 -6.682 2.945 1.156 1.00 0.00 ATOM 197 O ALA 31 -6.990 5.224 -1.242 1.00 0.00 ATOM 198 C ALA 31 -6.170 4.539 -0.632 1.00 0.00 ATOM 199 N ILE 32 -5.165 3.897 -1.217 1.00 0.00 ATOM 200 CA ILE 32 -4.959 3.920 -2.652 1.00 0.00 ATOM 201 CB ILE 32 -3.907 4.969 -3.054 1.00 0.00 ATOM 202 CG1 ILE 32 -4.360 6.368 -2.631 1.00 0.00 ATOM 203 CG2 ILE 32 -3.700 4.965 -4.561 1.00 0.00 ATOM 204 CD1 ILE 32 -3.311 7.438 -2.838 1.00 0.00 ATOM 205 O ILE 32 -3.560 1.990 -2.418 1.00 0.00 ATOM 206 C ILE 32 -4.481 2.522 -3.042 1.00 0.00 ATOM 207 N ILE 33 -5.108 1.925 -4.051 1.00 0.00 ATOM 208 CA ILE 33 -4.694 0.600 -4.514 1.00 0.00 ATOM 209 CB ILE 33 -5.897 -0.351 -4.653 1.00 0.00 ATOM 210 CG1 ILE 33 -6.582 -0.544 -3.299 1.00 0.00 ATOM 211 CG2 ILE 33 -5.446 -1.711 -5.163 1.00 0.00 ATOM 212 CD1 ILE 33 -7.903 -1.277 -3.382 1.00 0.00 ATOM 213 O ILE 33 -4.576 1.390 -6.792 1.00 0.00 ATOM 214 C ILE 33 -4.024 0.760 -5.875 1.00 0.00 ATOM 215 N MET 34 -2.826 0.197 -5.995 1.00 0.00 ATOM 216 CA MET 34 -2.041 0.286 -7.221 1.00 0.00 ATOM 217 CB MET 34 -0.625 0.779 -6.916 1.00 0.00 ATOM 218 CG MET 34 -0.567 2.186 -6.346 1.00 0.00 ATOM 219 SD MET 34 1.111 2.702 -5.935 1.00 0.00 ATOM 220 CE MET 34 0.841 4.418 -5.495 1.00 0.00 ATOM 221 O MET 34 -1.909 -2.101 -7.222 1.00 0.00 ATOM 222 C MET 34 -1.940 -1.067 -7.893 1.00 0.00 ATOM 223 N LYS 35 -1.876 -1.053 -9.222 1.00 0.00 ATOM 224 CA LYS 35 -1.777 -2.282 -9.996 1.00 0.00 ATOM 225 CB LYS 35 -3.097 -2.573 -10.711 1.00 0.00 ATOM 226 CG LYS 35 -3.549 -1.469 -11.653 1.00 0.00 ATOM 227 CD LYS 35 -4.853 -1.831 -12.345 1.00 0.00 ATOM 228 CE LYS 35 -5.301 -0.730 -13.291 1.00 0.00 ATOM 229 NZ LYS 35 -6.575 -1.075 -13.981 1.00 0.00 ATOM 230 O LYS 35 -0.442 -1.096 -11.590 1.00 0.00 ATOM 231 C LYS 35 -0.681 -2.174 -11.042 1.00 0.00 ATOM 232 N VAL 36 -0.015 -3.292 -11.313 1.00 0.00 ATOM 233 CA VAL 36 1.025 -3.327 -12.333 1.00 0.00 ATOM 234 CB VAL 36 2.161 -4.291 -11.948 1.00 0.00 ATOM 235 CG1 VAL 36 3.207 -4.352 -13.050 1.00 0.00 ATOM 236 CG2 VAL 36 2.840 -3.830 -10.666 1.00 0.00 ATOM 237 O VAL 36 -0.227 -4.855 -13.695 1.00 0.00 ATOM 238 C VAL 36 0.397 -3.795 -13.643 1.00 0.00 ATOM 239 N ASP 37 0.530 -2.985 -14.689 1.00 0.00 ATOM 240 CA ASP 37 0.020 -3.363 -16.000 1.00 0.00 ATOM 241 CB ASP 37 -0.614 -2.157 -16.698 1.00 0.00 ATOM 242 CG ASP 37 -1.190 -2.507 -18.056 1.00 0.00 ATOM 243 OD1 ASP 37 -1.006 -3.660 -18.501 1.00 0.00 ATOM 244 OD2 ASP 37 -1.825 -1.627 -18.675 1.00 0.00 ATOM 245 O ASP 37 2.060 -3.059 -17.226 1.00 0.00 ATOM 246 C ASP 37 1.276 -3.856 -16.716 1.00 0.00 ATOM 247 N LYS 38 1.484 -5.170 -16.725 1.00 0.00 ATOM 248 CA LYS 38 2.674 -5.731 -17.358 1.00 0.00 ATOM 249 CB LYS 38 2.644 -7.259 -17.296 1.00 0.00 ATOM 250 CG LYS 38 3.868 -7.930 -17.897 1.00 0.00 ATOM 251 CD LYS 38 3.805 -9.439 -17.738 1.00 0.00 ATOM 252 CE LYS 38 5.006 -10.114 -18.383 1.00 0.00 ATOM 253 NZ LYS 38 4.945 -11.595 -18.256 1.00 0.00 ATOM 254 O LYS 38 3.896 -4.969 -19.266 1.00 0.00 ATOM 255 C LYS 38 2.813 -5.351 -18.820 1.00 0.00 ATOM 256 N ASP 39 1.719 -5.463 -19.563 1.00 0.00 ATOM 257 CA ASP 39 1.731 -5.142 -20.983 1.00 0.00 ATOM 258 CB ASP 39 0.313 -5.186 -21.556 1.00 0.00 ATOM 259 CG ASP 39 -0.217 -6.600 -21.689 1.00 0.00 ATOM 260 OD1 ASP 39 0.584 -7.550 -21.559 1.00 0.00 ATOM 261 OD2 ASP 39 -1.434 -6.759 -21.923 1.00 0.00 ATOM 262 O ASP 39 3.134 -3.567 -22.116 1.00 0.00 ATOM 263 C ASP 39 2.294 -3.750 -21.237 1.00 0.00 ATOM 264 N ARG 40 1.842 -2.766 -20.467 1.00 0.00 ATOM 265 CA ARG 40 2.346 -1.402 -20.625 1.00 0.00 ATOM 266 CB ARG 40 1.255 -0.385 -20.286 1.00 0.00 ATOM 267 CG ARG 40 0.070 -0.406 -21.239 1.00 0.00 ATOM 268 CD ARG 40 -0.964 0.641 -20.857 1.00 0.00 ATOM 269 NE ARG 40 -2.130 0.604 -21.735 1.00 0.00 ATOM 270 CZ ARG 40 -3.215 1.356 -21.570 1.00 0.00 ATOM 271 NH1 ARG 40 -4.227 1.255 -22.421 1.00 0.00 ATOM 272 NH2 ARG 40 -3.283 2.205 -20.554 1.00 0.00 ATOM 273 O ARG 40 4.111 -0.094 -19.655 1.00 0.00 ATOM 274 C ARG 40 3.528 -1.184 -19.693 1.00 0.00 ATOM 275 N GLN 41 3.869 -2.233 -18.947 1.00 0.00 ATOM 276 CA GLN 41 4.956 -2.203 -17.972 1.00 0.00 ATOM 277 CB GLN 41 6.309 -2.336 -18.674 1.00 0.00 ATOM 278 CG GLN 41 6.539 -3.691 -19.325 1.00 0.00 ATOM 279 CD GLN 41 6.714 -4.804 -18.311 1.00 0.00 ATOM 280 OE1 GLN 41 7.613 -4.754 -17.471 1.00 0.00 ATOM 281 NE2 GLN 41 5.855 -5.813 -18.388 1.00 0.00 ATOM 282 O GLN 41 5.916 -0.122 -17.274 1.00 0.00 ATOM 283 C GLN 41 4.980 -0.912 -17.179 1.00 0.00 ATOM 284 N MET 42 3.934 -0.696 -16.394 1.00 0.00 ATOM 285 CA MET 42 3.855 0.506 -15.583 1.00 0.00 ATOM 286 CB MET 42 3.351 1.684 -16.420 1.00 0.00 ATOM 287 CG MET 42 3.399 3.023 -15.699 1.00 0.00 ATOM 288 SD MET 42 2.697 4.364 -16.677 1.00 0.00 ATOM 289 CE MET 42 3.976 4.586 -17.913 1.00 0.00 ATOM 290 O MET 42 1.918 -0.454 -14.550 1.00 0.00 ATOM 291 C MET 42 2.897 0.285 -14.428 1.00 0.00 ATOM 292 N VAL 43 3.194 0.922 -13.301 1.00 0.00 ATOM 293 CA VAL 43 2.328 0.817 -12.139 1.00 0.00 ATOM 294 CB VAL 43 3.116 1.001 -10.829 1.00 0.00 ATOM 295 CG1 VAL 43 2.178 0.961 -9.633 1.00 0.00 ATOM 296 CG2 VAL 43 4.147 -0.106 -10.668 1.00 0.00 ATOM 297 O VAL 43 1.636 3.081 -12.571 1.00 0.00 ATOM 298 C VAL 43 1.289 1.927 -12.294 1.00 0.00 ATOM 299 N VAL 44 0.019 1.582 -12.131 1.00 0.00 ATOM 300 CA VAL 44 -1.043 2.571 -12.255 1.00 0.00 ATOM 301 CB VAL 44 -1.932 2.294 -13.481 1.00 0.00 ATOM 302 CG1 VAL 44 -1.114 2.372 -14.761 1.00 0.00 ATOM 303 CG2 VAL 44 -2.549 0.907 -13.390 1.00 0.00 ATOM 304 O VAL 44 -1.930 1.692 -10.192 1.00 0.00 ATOM 305 C VAL 44 -1.964 2.594 -11.038 1.00 0.00 ATOM 306 N LEU 45 -2.783 3.635 -10.955 1.00 0.00 ATOM 307 CA LEU 45 -3.739 3.759 -9.869 1.00 0.00 ATOM 308 CB LEU 45 -4.111 5.228 -9.648 1.00 0.00 ATOM 309 CG LEU 45 -5.075 5.517 -8.497 1.00 0.00 ATOM 310 CD1 LEU 45 -4.435 5.173 -7.160 1.00 0.00 ATOM 311 CD2 LEU 45 -5.461 6.988 -8.474 1.00 0.00 ATOM 312 O LEU 45 -5.510 3.144 -11.368 1.00 0.00 ATOM 313 C LEU 45 -4.974 2.954 -10.274 1.00 0.00 ATOM 314 N GLU 46 -5.412 2.045 -9.406 1.00 0.00 ATOM 315 CA GLU 46 -6.590 1.241 -9.696 1.00 0.00 ATOM 316 CB GLU 46 -6.356 -0.216 -9.292 1.00 0.00 ATOM 317 CG GLU 46 -7.548 -1.127 -9.537 1.00 0.00 ATOM 318 CD GLU 46 -7.215 -2.591 -9.324 1.00 0.00 ATOM 319 OE1 GLU 46 -6.035 -2.899 -9.056 1.00 0.00 ATOM 320 OE2 GLU 46 -8.135 -3.430 -9.428 1.00 0.00 ATOM 321 O GLU 46 -8.871 1.905 -9.478 1.00 0.00 ATOM 322 C GLU 46 -7.785 1.773 -8.927 1.00 0.00 ATOM 323 N ASP 47 -7.586 2.079 -7.651 1.00 0.00 ATOM 324 CA ASP 47 -8.668 2.595 -6.827 1.00 0.00 ATOM 325 CB ASP 47 -9.360 1.456 -6.074 1.00 0.00 ATOM 326 CG ASP 47 -10.708 1.862 -5.515 1.00 0.00 ATOM 327 OD1 ASP 47 -10.750 2.786 -4.675 1.00 0.00 ATOM 328 OD2 ASP 47 -11.723 1.255 -5.914 1.00 0.00 ATOM 329 O ASP 47 -7.091 3.451 -5.231 1.00 0.00 ATOM 330 C ASP 47 -8.178 3.597 -5.790 1.00 0.00 ATOM 331 N GLU 48 -8.988 4.622 -5.550 1.00 0.00 ATOM 332 CA GLU 48 -8.673 5.666 -4.585 1.00 0.00 ATOM 333 CB GLU 48 -8.446 7.003 -5.297 1.00 0.00 ATOM 334 CG GLU 48 -8.083 8.147 -4.366 1.00 0.00 ATOM 335 CD GLU 48 -7.798 9.436 -5.112 1.00 0.00 ATOM 336 OE1 GLU 48 -7.973 9.458 -6.348 1.00 0.00 ATOM 337 OE2 GLU 48 -7.400 10.424 -4.460 1.00 0.00 ATOM 338 O GLU 48 -10.975 6.018 -4.063 1.00 0.00 ATOM 339 C GLU 48 -9.852 5.778 -3.631 1.00 0.00 ATOM 340 N LEU 49 -9.605 5.604 -2.337 1.00 0.00 ATOM 341 CA LEU 49 -10.694 5.680 -1.376 1.00 0.00 ATOM 342 CB LEU 49 -10.372 4.841 -0.136 1.00 0.00 ATOM 343 CG LEU 49 -10.100 3.355 -0.375 1.00 0.00 ATOM 344 CD1 LEU 49 -9.758 2.655 0.931 1.00 0.00 ATOM 345 CD2 LEU 49 -11.320 2.674 -0.975 1.00 0.00 ATOM 346 O LEU 49 -10.180 7.991 -0.993 1.00 0.00 ATOM 347 C LEU 49 -10.999 7.077 -0.874 1.00 0.00 ATOM 348 N GLN 50 -11.825 9.919 2.111 1.00 0.00 ATOM 349 CA GLN 50 -11.099 10.131 3.369 1.00 0.00 ATOM 350 CB GLN 50 -11.454 11.493 3.969 1.00 0.00 ATOM 351 CG GLN 50 -10.895 12.676 3.194 1.00 0.00 ATOM 352 CD GLN 50 -11.359 14.008 3.750 1.00 0.00 ATOM 353 OE1 GLN 50 -12.177 14.056 4.668 1.00 0.00 ATOM 354 NE2 GLN 50 -10.836 15.094 3.195 1.00 0.00 ATOM 355 O GLN 50 -10.511 8.716 5.210 1.00 0.00 ATOM 356 C GLN 50 -11.397 9.096 4.446 1.00 0.00 ATOM 357 N ASN 51 -12.646 8.646 4.501 1.00 0.00 ATOM 358 CA ASN 51 -13.044 7.640 5.474 1.00 0.00 ATOM 359 CB ASN 51 -14.106 8.201 6.421 1.00 0.00 ATOM 360 CG ASN 51 -14.490 7.221 7.512 1.00 0.00 ATOM 361 ND2 ASN 51 -15.030 7.740 8.609 1.00 0.00 ATOM 362 OD1 ASN 51 -14.303 6.014 7.369 1.00 0.00 ATOM 363 O ASN 51 -14.573 6.519 3.995 1.00 0.00 ATOM 364 C ASN 51 -13.624 6.418 4.766 1.00 0.00 ATOM 365 N ILE 52 -13.026 5.263 5.030 1.00 0.00 ATOM 366 CA ILE 52 -13.453 4.003 4.439 1.00 0.00 ATOM 367 CB ILE 52 -12.602 3.642 3.208 1.00 0.00 ATOM 368 CG1 ILE 52 -13.193 2.427 2.488 1.00 0.00 ATOM 369 CG2 ILE 52 -11.177 3.310 3.623 1.00 0.00 ATOM 370 CD1 ILE 52 -14.471 2.723 1.737 1.00 0.00 ATOM 371 O ILE 52 -12.409 3.008 6.350 1.00 0.00 ATOM 372 C ILE 52 -13.295 2.923 5.500 1.00 0.00 ATOM 373 N SER 53 -14.153 1.913 5.460 1.00 0.00 ATOM 374 CA SER 53 -14.058 0.833 6.429 1.00 0.00 ATOM 375 CB SER 53 -15.392 0.091 6.538 1.00 0.00 ATOM 376 OG SER 53 -15.687 -0.606 5.339 1.00 0.00 ATOM 377 O SER 53 -12.482 -0.079 4.854 1.00 0.00 ATOM 378 C SER 53 -12.976 -0.148 5.983 1.00 0.00 ATOM 379 N PRO 54 -12.603 -1.053 6.879 1.00 0.00 ATOM 380 CA PRO 54 -11.602 -2.058 6.560 1.00 0.00 ATOM 381 CB PRO 54 -11.380 -2.793 7.884 1.00 0.00 ATOM 382 CG PRO 54 -12.609 -2.505 8.680 1.00 0.00 ATOM 383 CD PRO 54 -13.069 -1.139 8.258 1.00 0.00 ATOM 384 O PRO 54 -11.496 -3.359 4.551 1.00 0.00 ATOM 385 C PRO 54 -12.193 -2.948 5.474 1.00 0.00 ATOM 386 N GLU 55 -13.485 -3.240 5.588 1.00 0.00 ATOM 387 CA GLU 55 -14.149 -4.095 4.608 1.00 0.00 ATOM 388 CB GLU 55 -15.614 -4.314 4.993 1.00 0.00 ATOM 389 CG GLU 55 -15.809 -5.197 6.215 1.00 0.00 ATOM 390 CD GLU 55 -17.262 -5.291 6.639 1.00 0.00 ATOM 391 OE1 GLU 55 -18.106 -4.609 6.024 1.00 0.00 ATOM 392 OE2 GLU 55 -17.555 -6.050 7.588 1.00 0.00 ATOM 393 O GLU 55 -13.973 -4.235 2.223 1.00 0.00 ATOM 394 C GLU 55 -14.138 -3.509 3.204 1.00 0.00 ATOM 395 N GLU 56 -14.313 -2.198 3.105 1.00 0.00 ATOM 396 CA GLU 56 -14.335 -1.555 1.801 1.00 0.00 ATOM 397 CB GLU 56 -14.779 -0.096 1.929 1.00 0.00 ATOM 398 CG GLU 56 -16.240 0.075 2.312 1.00 0.00 ATOM 399 CD GLU 56 -17.183 -0.578 1.320 1.00 0.00 ATOM 400 OE1 GLU 56 -17.057 -0.297 0.109 1.00 0.00 ATOM 401 OE2 GLU 56 -18.046 -1.368 1.754 1.00 0.00 ATOM 402 O GLU 56 -12.809 -1.699 -0.041 1.00 0.00 ATOM 403 C GLU 56 -12.943 -1.585 1.175 1.00 0.00 ATOM 404 N LEU 57 -11.912 -1.499 2.012 1.00 0.00 ATOM 405 CA LEU 57 -10.537 -1.543 1.530 1.00 0.00 ATOM 406 CB LEU 57 -9.568 -1.113 2.633 1.00 0.00 ATOM 407 CG LEU 57 -8.081 -1.124 2.273 1.00 0.00 ATOM 408 CD1 LEU 57 -7.799 -0.167 1.125 1.00 0.00 ATOM 409 CD2 LEU 57 -7.236 -0.699 3.464 1.00 0.00 ATOM 410 O LEU 57 -9.696 -3.198 0.016 1.00 0.00 ATOM 411 C LEU 57 -10.211 -2.967 1.105 1.00 0.00 ATOM 412 N LYS 58 -10.508 -3.917 1.984 1.00 0.00 ATOM 413 CA LYS 58 -10.270 -5.325 1.712 1.00 0.00 ATOM 414 CB LYS 58 -10.803 -6.190 2.856 1.00 0.00 ATOM 415 CG LYS 58 -10.003 -6.076 4.144 1.00 0.00 ATOM 416 CD LYS 58 -10.585 -6.961 5.235 1.00 0.00 ATOM 417 CE LYS 58 -9.800 -6.827 6.529 1.00 0.00 ATOM 418 NZ LYS 58 -10.380 -7.665 7.617 1.00 0.00 ATOM 419 O LYS 58 -10.446 -6.545 -0.346 1.00 0.00 ATOM 420 C LYS 58 -10.972 -5.745 0.420 1.00 0.00 ATOM 421 N LEU 59 -12.162 -5.207 0.181 1.00 0.00 ATOM 422 CA LEU 59 -12.905 -5.538 -1.027 1.00 0.00 ATOM 423 CB LEU 59 -14.256 -4.819 -1.040 1.00 0.00 ATOM 424 CG LEU 59 -15.269 -5.263 0.016 1.00 0.00 ATOM 425 CD1 LEU 59 -16.507 -4.382 -0.020 1.00 0.00 ATOM 426 CD2 LEU 59 -15.703 -6.702 -0.225 1.00 0.00 ATOM 427 O LEU 59 -12.304 -5.674 -3.355 1.00 0.00 ATOM 428 C LEU 59 -12.122 -5.113 -2.274 1.00 0.00 ATOM 429 N GLU 60 -11.239 -4.133 -2.107 1.00 0.00 ATOM 430 CA GLU 60 -10.436 -3.614 -3.210 1.00 0.00 ATOM 431 CB GLU 60 -9.997 -2.177 -2.924 1.00 0.00 ATOM 432 CG GLU 60 -11.143 -1.179 -2.851 1.00 0.00 ATOM 433 CD GLU 60 -11.925 -1.097 -4.148 1.00 0.00 ATOM 434 OE1 GLU 60 -11.296 -0.899 -5.209 1.00 0.00 ATOM 435 OE2 GLU 60 -13.165 -1.230 -4.103 1.00 0.00 ATOM 436 O GLU 60 -8.408 -4.045 -4.401 1.00 0.00 ATOM 437 C GLU 60 -9.163 -4.397 -3.496 1.00 0.00 ATOM 438 N LEU 61 -8.915 -5.439 -2.709 1.00 0.00 ATOM 439 CA LEU 61 -7.747 -6.287 -2.906 1.00 0.00 ATOM 440 CB LEU 61 -7.008 -6.496 -1.583 1.00 0.00 ATOM 441 CG LEU 61 -6.499 -5.234 -0.883 1.00 0.00 ATOM 442 CD1 LEU 61 -5.847 -5.582 0.446 1.00 0.00 ATOM 443 CD2 LEU 61 -5.468 -4.522 -1.746 1.00 0.00 ATOM 444 O LEU 61 -8.889 -8.393 -2.720 1.00 0.00 ATOM 445 C LEU 61 -8.265 -7.620 -3.446 1.00 0.00 ATOM 446 N PRO 62 -8.009 -7.900 -4.733 1.00 0.00 ATOM 447 CA PRO 62 -8.451 -9.139 -5.391 1.00 0.00 ATOM 448 CB PRO 62 -7.964 -8.986 -6.832 1.00 0.00 ATOM 449 CG PRO 62 -6.835 -8.012 -6.746 1.00 0.00 ATOM 450 CD PRO 62 -7.187 -7.067 -5.631 1.00 0.00 ATOM 451 O PRO 62 -6.683 -10.492 -4.494 1.00 0.00 ATOM 452 C PRO 62 -7.876 -10.408 -4.774 1.00 0.00 ATOM 453 N GLU 63 -8.734 -11.400 -4.565 1.00 0.00 ATOM 454 CA GLU 63 -8.310 -12.659 -3.970 1.00 0.00 ATOM 455 CB GLU 63 -9.522 -13.535 -3.649 1.00 0.00 ATOM 456 CG GLU 63 -10.381 -13.014 -2.509 1.00 0.00 ATOM 457 CD GLU 63 -11.611 -13.868 -2.268 1.00 0.00 ATOM 458 OE1 GLU 63 -11.813 -14.845 -3.020 1.00 0.00 ATOM 459 OE2 GLU 63 -12.373 -13.560 -1.328 1.00 0.00 ATOM 460 O GLU 63 -6.674 -14.339 -4.474 1.00 0.00 ATOM 461 C GLU 63 -7.400 -13.445 -4.907 1.00 0.00 ATOM 462 N ARG 64 -7.415 -13.092 -6.187 1.00 0.00 ATOM 463 CA ARG 64 -6.620 -13.818 -7.172 1.00 0.00 ATOM 464 CB ARG 64 -7.490 -14.233 -8.361 1.00 0.00 ATOM 465 CG ARG 64 -8.567 -15.251 -8.016 1.00 0.00 ATOM 466 CD ARG 64 -9.395 -15.613 -9.239 1.00 0.00 ATOM 467 NE ARG 64 -10.470 -16.547 -8.914 1.00 0.00 ATOM 468 CZ ARG 64 -11.420 -16.917 -9.765 1.00 0.00 ATOM 469 NH1 ARG 64 -12.358 -17.774 -9.382 1.00 0.00 ATOM 470 NH2 ARG 64 -11.432 -16.431 -10.998 1.00 0.00 ATOM 471 O ARG 64 -4.731 -13.591 -8.612 1.00 0.00 ATOM 472 C ARG 64 -5.446 -13.050 -7.770 1.00 0.00 ATOM 473 N GLN 65 -5.241 -11.804 -7.344 1.00 0.00 ATOM 474 CA GLN 65 -4.154 -11.001 -7.893 1.00 0.00 ATOM 475 CB GLN 65 -4.682 -10.050 -8.969 1.00 0.00 ATOM 476 CG GLN 65 -5.243 -10.750 -10.196 1.00 0.00 ATOM 477 CD GLN 65 -5.705 -9.776 -11.262 1.00 0.00 ATOM 478 OE1 GLN 65 -5.549 -8.564 -11.118 1.00 0.00 ATOM 479 NE2 GLN 65 -6.275 -10.306 -12.338 1.00 0.00 ATOM 480 O GLN 65 -4.001 -9.613 -5.932 1.00 0.00 ATOM 481 C GLN 65 -3.411 -10.119 -6.886 1.00 0.00 ATOM 482 N PRO 66 -2.117 -9.924 -7.132 1.00 0.00 ATOM 483 CA PRO 66 -1.290 -9.078 -6.277 1.00 0.00 ATOM 484 CB PRO 66 0.142 -9.448 -6.663 1.00 0.00 ATOM 485 CG PRO 66 0.006 -10.724 -7.426 1.00 0.00 ATOM 486 CD PRO 66 -1.349 -10.676 -8.077 1.00 0.00 ATOM 487 O PRO 66 -2.155 -7.282 -7.629 1.00 0.00 ATOM 488 C PRO 66 -1.610 -7.612 -6.570 1.00 0.00 ATOM 489 N ARG 67 -1.273 -6.745 -5.618 1.00 0.00 ATOM 490 CA ARG 67 -1.454 -5.298 -5.743 1.00 0.00 ATOM 491 CB ARG 67 -2.900 -4.911 -5.428 1.00 0.00 ATOM 492 CG ARG 67 -3.912 -5.410 -6.445 1.00 0.00 ATOM 493 CD ARG 67 -5.316 -4.938 -6.103 1.00 0.00 ATOM 494 NE ARG 67 -6.298 -5.379 -7.091 1.00 0.00 ATOM 495 CZ ARG 67 -7.606 -5.169 -6.990 1.00 0.00 ATOM 496 NH1 ARG 67 -8.424 -5.608 -7.939 1.00 0.00 ATOM 497 NH2 ARG 67 -8.094 -4.519 -5.943 1.00 0.00 ATOM 498 O ARG 67 0.119 -5.314 -3.926 1.00 0.00 ATOM 499 C ARG 67 -0.501 -4.635 -4.745 1.00 0.00 ATOM 500 N PHE 68 -0.373 -3.314 -4.850 1.00 0.00 ATOM 501 CA PHE 68 0.408 -2.526 -3.902 1.00 0.00 ATOM 502 CB PHE 68 1.549 -1.803 -4.619 1.00 0.00 ATOM 503 CG PHE 68 2.563 -2.726 -5.230 1.00 0.00 ATOM 504 CD1 PHE 68 2.449 -3.129 -6.548 1.00 0.00 ATOM 505 CD2 PHE 68 3.633 -3.192 -4.485 1.00 0.00 ATOM 506 CE1 PHE 68 3.383 -3.980 -7.110 1.00 0.00 ATOM 507 CE2 PHE 68 4.567 -4.041 -5.047 1.00 0.00 ATOM 508 CZ PHE 68 4.446 -4.436 -6.353 1.00 0.00 ATOM 509 O PHE 68 -1.650 -1.319 -4.110 1.00 0.00 ATOM 510 C PHE 68 -0.682 -1.602 -3.392 1.00 0.00 ATOM 511 N VAL 69 -0.533 -1.126 -2.166 1.00 0.00 ATOM 512 CA VAL 69 -1.527 -0.231 -1.618 1.00 0.00 ATOM 513 CB VAL 69 -2.708 -1.007 -1.004 1.00 0.00 ATOM 514 CG1 VAL 69 -2.240 -1.836 0.182 1.00 0.00 ATOM 515 CG2 VAL 69 -3.784 -0.045 -0.525 1.00 0.00 ATOM 516 O VAL 69 0.024 0.259 0.146 1.00 0.00 ATOM 517 C VAL 69 -0.942 0.641 -0.530 1.00 0.00 ATOM 518 N VAL 70 -1.522 1.825 -0.388 1.00 0.00 ATOM 519 CA VAL 70 -1.126 2.762 0.647 1.00 0.00 ATOM 520 CB VAL 70 -0.687 4.112 0.050 1.00 0.00 ATOM 521 CG1 VAL 70 -0.319 5.090 1.156 1.00 0.00 ATOM 522 CG2 VAL 70 0.526 3.927 -0.850 1.00 0.00 ATOM 523 O VAL 70 -3.477 3.091 0.977 1.00 0.00 ATOM 524 C VAL 70 -2.370 2.918 1.499 1.00 0.00 ATOM 525 N TYR 71 -2.196 2.830 2.810 1.00 0.00 ATOM 526 CA TYR 71 -3.316 2.966 3.720 1.00 0.00 ATOM 527 CB TYR 71 -3.666 1.614 4.347 1.00 0.00 ATOM 528 CG TYR 71 -4.826 1.668 5.313 1.00 0.00 ATOM 529 CD1 TYR 71 -6.133 1.757 4.852 1.00 0.00 ATOM 530 CD2 TYR 71 -4.611 1.630 6.685 1.00 0.00 ATOM 531 CE1 TYR 71 -7.201 1.808 5.728 1.00 0.00 ATOM 532 CE2 TYR 71 -5.666 1.679 7.577 1.00 0.00 ATOM 533 CZ TYR 71 -6.968 1.768 7.086 1.00 0.00 ATOM 534 OH TYR 71 -8.029 1.818 7.961 1.00 0.00 ATOM 535 O TYR 71 -1.917 3.777 5.496 1.00 0.00 ATOM 536 C TYR 71 -2.936 3.947 4.818 1.00 0.00 ATOM 537 N SER 72 -3.739 4.992 4.972 1.00 0.00 ATOM 538 CA SER 72 -3.464 5.978 6.000 1.00 0.00 ATOM 539 CB SER 72 -3.982 7.354 5.575 1.00 0.00 ATOM 540 OG SER 72 -3.687 8.334 6.555 1.00 0.00 ATOM 541 O SER 72 -5.362 5.771 7.458 1.00 0.00 ATOM 542 C SER 72 -4.179 5.509 7.257 1.00 0.00 ATOM 543 N TYR 73 -3.434 4.798 8.090 1.00 0.00 ATOM 544 CA TYR 73 -3.962 4.224 9.314 1.00 0.00 ATOM 545 CB TYR 73 -3.117 3.027 9.751 1.00 0.00 ATOM 546 CG TYR 73 -3.655 2.311 10.971 1.00 0.00 ATOM 547 CD1 TYR 73 -4.801 1.533 10.891 1.00 0.00 ATOM 548 CD2 TYR 73 -3.013 2.417 12.199 1.00 0.00 ATOM 549 CE1 TYR 73 -5.300 0.876 11.999 1.00 0.00 ATOM 550 CE2 TYR 73 -3.496 1.767 13.318 1.00 0.00 ATOM 551 CZ TYR 73 -4.650 0.991 13.208 1.00 0.00 ATOM 552 OH TYR 73 -5.144 0.338 14.315 1.00 0.00 ATOM 553 O TYR 73 -2.964 5.407 11.140 1.00 0.00 ATOM 554 C TYR 73 -3.976 5.213 10.468 1.00 0.00 ATOM 555 N LYS 74 -5.116 5.854 10.692 1.00 0.00 ATOM 556 CA LYS 74 -5.209 6.796 11.795 1.00 0.00 ATOM 557 CB LYS 74 -6.014 8.030 11.380 1.00 0.00 ATOM 558 CG LYS 74 -7.470 7.739 11.055 1.00 0.00 ATOM 559 CD LYS 74 -8.196 8.995 10.602 1.00 0.00 ATOM 560 CE LYS 74 -9.645 8.700 10.252 1.00 0.00 ATOM 561 NZ LYS 74 -10.346 9.903 9.722 1.00 0.00 ATOM 562 O LYS 74 -6.611 5.165 12.859 1.00 0.00 ATOM 563 C LYS 74 -5.896 6.156 12.990 1.00 0.00 ATOM 564 N TYR 75 -5.656 6.726 14.160 1.00 0.00 ATOM 565 CA TYR 75 -6.245 6.230 15.393 1.00 0.00 ATOM 566 CB TYR 75 -5.334 5.186 16.041 1.00 0.00 ATOM 567 CG TYR 75 -3.992 5.730 16.475 1.00 0.00 ATOM 568 CD1 TYR 75 -3.807 6.226 17.760 1.00 0.00 ATOM 569 CD2 TYR 75 -2.913 5.746 15.601 1.00 0.00 ATOM 570 CE1 TYR 75 -2.584 6.725 18.166 1.00 0.00 ATOM 571 CE2 TYR 75 -1.683 6.241 15.990 1.00 0.00 ATOM 572 CZ TYR 75 -1.526 6.733 17.284 1.00 0.00 ATOM 573 OH TYR 75 -0.308 7.231 17.686 1.00 0.00 ATOM 574 O TYR 75 -5.788 8.440 16.199 1.00 0.00 ATOM 575 C TYR 75 -6.432 7.400 16.348 1.00 0.00 ATOM 576 N VAL 76 -7.318 7.227 17.323 1.00 0.00 ATOM 577 CA VAL 76 -7.577 8.275 18.298 1.00 0.00 ATOM 578 CB VAL 76 -9.088 8.498 18.498 1.00 0.00 ATOM 579 CG1 VAL 76 -9.333 9.563 19.558 1.00 0.00 ATOM 580 CG2 VAL 76 -9.736 8.954 17.200 1.00 0.00 ATOM 581 O VAL 76 -7.157 6.764 20.114 1.00 0.00 ATOM 582 C VAL 76 -6.965 7.884 19.639 1.00 0.00 ATOM 583 N HIS 77 -6.219 8.805 20.239 1.00 0.00 ATOM 584 CA HIS 77 -5.593 8.542 21.529 1.00 0.00 ATOM 585 CB HIS 77 -4.431 9.508 21.768 1.00 0.00 ATOM 586 CG HIS 77 -3.248 9.261 20.883 1.00 0.00 ATOM 587 CD2 HIS 77 -2.687 9.896 19.699 1.00 0.00 ATOM 588 ND1 HIS 77 -2.369 8.222 21.089 1.00 0.00 ATOM 589 CE1 HIS 77 -1.417 8.257 20.140 1.00 0.00 ATOM 590 NE2 HIS 77 -1.602 9.259 19.302 1.00 0.00 ATOM 591 O HIS 77 -7.759 9.148 22.380 1.00 0.00 ATOM 592 C HIS 77 -6.628 8.724 22.637 1.00 0.00 ATOM 593 N ASP 78 -6.235 8.400 23.865 1.00 0.00 ATOM 594 CA ASP 78 -7.125 8.542 25.007 1.00 0.00 ATOM 595 CB ASP 78 -6.454 8.015 26.278 1.00 0.00 ATOM 596 CG ASP 78 -6.364 6.502 26.304 1.00 0.00 ATOM 597 OD1 ASP 78 -7.020 5.853 25.463 1.00 0.00 ATOM 598 OD2 ASP 78 -5.637 5.965 27.165 1.00 0.00 ATOM 599 O ASP 78 -8.516 10.362 25.732 1.00 0.00 ATOM 600 C ASP 78 -7.463 10.020 25.191 1.00 0.00 ATOM 601 N ASP 79 -6.562 10.892 24.738 1.00 0.00 ATOM 602 CA ASP 79 -6.777 12.334 24.843 1.00 0.00 ATOM 603 CB ASP 79 -5.438 13.075 24.857 1.00 0.00 ATOM 604 CG ASP 79 -4.648 12.876 23.579 1.00 0.00 ATOM 605 OD1 ASP 79 -5.114 12.114 22.706 1.00 0.00 ATOM 606 OD2 ASP 79 -3.565 13.483 23.450 1.00 0.00 ATOM 607 O ASP 79 -7.629 14.004 23.341 1.00 0.00 ATOM 608 C ASP 79 -7.595 12.813 23.651 1.00 0.00 ATOM 609 N GLY 80 -8.248 11.868 22.986 1.00 0.00 ATOM 610 CA GLY 80 -9.076 12.164 21.827 1.00 0.00 ATOM 611 O GLY 80 -8.774 13.909 20.187 1.00 0.00 ATOM 612 C GLY 80 -8.286 12.937 20.770 1.00 0.00 ATOM 613 N ARG 81 -7.055 12.491 20.535 1.00 0.00 ATOM 614 CA ARG 81 -6.186 13.102 19.538 1.00 0.00 ATOM 615 CB ARG 81 -4.818 13.419 20.143 1.00 0.00 ATOM 616 CG ARG 81 -3.861 14.114 19.188 1.00 0.00 ATOM 617 CD ARG 81 -2.545 14.449 19.868 1.00 0.00 ATOM 618 NE ARG 81 -1.610 15.109 18.961 1.00 0.00 ATOM 619 CZ ARG 81 -0.360 15.426 19.276 1.00 0.00 ATOM 620 NH1 ARG 81 0.418 16.026 18.385 1.00 0.00 ATOM 621 NH2 ARG 81 0.113 15.141 20.482 1.00 0.00 ATOM 622 O ARG 81 -5.721 10.946 18.598 1.00 0.00 ATOM 623 C ARG 81 -6.021 12.121 18.388 1.00 0.00 ATOM 624 N VAL 82 -6.225 12.605 17.172 1.00 0.00 ATOM 625 CA VAL 82 -6.105 11.751 16.005 1.00 0.00 ATOM 626 CB VAL 82 -7.068 12.189 14.885 1.00 0.00 ATOM 627 CG1 VAL 82 -6.871 11.325 13.647 1.00 0.00 ATOM 628 CG2 VAL 82 -8.513 12.053 15.341 1.00 0.00 ATOM 629 O VAL 82 -4.131 12.847 15.174 1.00 0.00 ATOM 630 C VAL 82 -4.695 11.782 15.428 1.00 0.00 ATOM 631 N SER 83 -4.125 10.595 15.251 1.00 0.00 ATOM 632 CA SER 83 -2.787 10.442 14.693 1.00 0.00 ATOM 633 CB SER 83 -1.802 10.002 15.778 1.00 0.00 ATOM 634 OG SER 83 -1.715 10.967 16.812 1.00 0.00 ATOM 635 O SER 83 -3.880 8.640 13.582 1.00 0.00 ATOM 636 C SER 83 -2.903 9.386 13.612 1.00 0.00 ATOM 637 N TYR 84 -1.916 9.314 12.726 1.00 0.00 ATOM 638 CA TYR 84 -1.951 8.310 11.669 1.00 0.00 ATOM 639 CB TYR 84 -2.719 8.837 10.456 1.00 0.00 ATOM 640 CG TYR 84 -2.093 10.054 9.814 1.00 0.00 ATOM 641 CD1 TYR 84 -1.163 9.921 8.791 1.00 0.00 ATOM 642 CD2 TYR 84 -2.432 11.335 10.235 1.00 0.00 ATOM 643 CE1 TYR 84 -0.584 11.028 8.200 1.00 0.00 ATOM 644 CE2 TYR 84 -1.863 12.452 9.656 1.00 0.00 ATOM 645 CZ TYR 84 -0.933 12.289 8.631 1.00 0.00 ATOM 646 OH TYR 84 -0.359 13.393 8.043 1.00 0.00 ATOM 647 O TYR 84 0.395 8.676 11.301 1.00 0.00 ATOM 648 C TYR 84 -0.566 7.913 11.186 1.00 0.00 ATOM 649 N PRO 85 -0.485 6.698 10.657 1.00 0.00 ATOM 650 CA PRO 85 0.746 6.141 10.117 1.00 0.00 ATOM 651 CB PRO 85 1.051 4.956 11.035 1.00 0.00 ATOM 652 CG PRO 85 -0.286 4.517 11.535 1.00 0.00 ATOM 653 CD PRO 85 -1.119 5.763 11.645 1.00 0.00 ATOM 654 O PRO 85 -0.545 5.070 8.408 1.00 0.00 ATOM 655 C PRO 85 0.462 5.723 8.682 1.00 0.00 ATOM 656 N LEU 86 1.337 6.116 7.765 1.00 0.00 ATOM 657 CA LEU 86 1.172 5.752 6.367 1.00 0.00 ATOM 658 CB LEU 86 1.937 6.724 5.468 1.00 0.00 ATOM 659 CG LEU 86 1.508 8.191 5.535 1.00 0.00 ATOM 660 CD1 LEU 86 2.402 9.054 4.658 1.00 0.00 ATOM 661 CD2 LEU 86 0.074 8.355 5.059 1.00 0.00 ATOM 662 O LEU 86 2.916 4.084 6.326 1.00 0.00 ATOM 663 C LEU 86 1.717 4.332 6.166 1.00 0.00 ATOM 664 N CYS 87 0.816 3.403 5.851 1.00 0.00 ATOM 665 CA CYS 87 1.178 2.005 5.624 1.00 0.00 ATOM 666 CB CYS 87 0.086 1.075 6.158 1.00 0.00 ATOM 667 SG CYS 87 -0.178 1.185 7.945 1.00 0.00 ATOM 668 O CYS 87 0.519 2.126 3.326 1.00 0.00 ATOM 669 C CYS 87 1.356 1.724 4.133 1.00 0.00 ATOM 670 N PHE 88 2.439 1.044 3.772 1.00 0.00 ATOM 671 CA PHE 88 2.637 0.630 2.384 1.00 0.00 ATOM 672 CB PHE 88 4.066 0.936 1.931 1.00 0.00 ATOM 673 CG PHE 88 4.360 0.508 0.523 1.00 0.00 ATOM 674 CD1 PHE 88 3.901 1.249 -0.553 1.00 0.00 ATOM 675 CD2 PHE 88 5.098 -0.636 0.272 1.00 0.00 ATOM 676 CE1 PHE 88 4.172 0.855 -1.848 1.00 0.00 ATOM 677 CE2 PHE 88 5.368 -1.030 -1.025 1.00 0.00 ATOM 678 CZ PHE 88 4.909 -0.290 -2.083 1.00 0.00 ATOM 679 O PHE 88 2.914 -1.565 3.311 1.00 0.00 ATOM 680 C PHE 88 2.350 -0.864 2.465 1.00 0.00 ATOM 681 N ILE 89 1.479 -1.355 1.593 1.00 0.00 ATOM 682 CA ILE 89 1.117 -2.763 1.626 1.00 0.00 ATOM 683 CB ILE 89 -0.378 -2.955 1.942 1.00 0.00 ATOM 684 CG1 ILE 89 -0.713 -2.369 3.315 1.00 0.00 ATOM 685 CG2 ILE 89 -0.737 -4.432 1.948 1.00 0.00 ATOM 686 CD1 ILE 89 -2.196 -2.308 3.609 1.00 0.00 ATOM 687 O ILE 89 0.941 -3.037 -0.746 1.00 0.00 ATOM 688 C ILE 89 1.366 -3.494 0.318 1.00 0.00 ATOM 689 N PHE 90 2.070 -4.620 0.408 1.00 0.00 ATOM 690 CA PHE 90 2.308 -5.469 -0.750 1.00 0.00 ATOM 691 CB PHE 90 3.758 -5.954 -0.770 1.00 0.00 ATOM 692 CG PHE 90 4.760 -4.860 -1.004 1.00 0.00 ATOM 693 CD1 PHE 90 5.324 -4.178 0.061 1.00 0.00 ATOM 694 CD2 PHE 90 5.138 -4.510 -2.289 1.00 0.00 ATOM 695 CE1 PHE 90 6.247 -3.172 -0.154 1.00 0.00 ATOM 696 CE2 PHE 90 6.059 -3.503 -2.504 1.00 0.00 ATOM 697 CZ PHE 90 6.614 -2.836 -1.443 1.00 0.00 ATOM 698 O PHE 90 1.557 -7.534 0.241 1.00 0.00 ATOM 699 C PHE 90 1.325 -6.632 -0.570 1.00 0.00 ATOM 700 N SER 91 0.210 -6.582 -1.299 1.00 0.00 ATOM 701 CA SER 91 -0.821 -7.625 -1.237 1.00 0.00 ATOM 702 CB SER 91 -2.169 -7.076 -1.710 1.00 0.00 ATOM 703 OG SER 91 -3.141 -8.103 -1.785 1.00 0.00 ATOM 704 O SER 91 -0.176 -8.598 -3.351 1.00 0.00 ATOM 705 C SER 91 -0.385 -8.779 -2.150 1.00 0.00 ATOM 706 N SER 92 -0.230 -9.962 -1.566 1.00 0.00 ATOM 707 CA SER 92 0.215 -11.127 -2.319 1.00 0.00 ATOM 708 CB SER 92 1.678 -11.442 -2.006 1.00 0.00 ATOM 709 OG SER 92 2.184 -12.438 -2.878 1.00 0.00 ATOM 710 O SER 92 -0.193 -13.207 -1.187 1.00 0.00 ATOM 711 C SER 92 -0.612 -12.369 -1.982 1.00 0.00 ATOM 712 N PRO 93 -1.806 -12.492 -2.582 1.00 0.00 ATOM 713 CA PRO 93 -2.668 -13.648 -2.325 1.00 0.00 ATOM 714 CB PRO 93 -3.942 -13.342 -3.115 1.00 0.00 ATOM 715 CG PRO 93 -3.948 -11.857 -3.253 1.00 0.00 ATOM 716 CD PRO 93 -2.511 -11.447 -3.416 1.00 0.00 ATOM 717 O PRO 93 -1.274 -14.924 -3.815 1.00 0.00 ATOM 718 C PRO 93 -1.991 -14.927 -2.812 1.00 0.00 ATOM 719 N VAL 94 -2.238 -16.016 -2.096 1.00 0.00 ATOM 720 CA VAL 94 -1.649 -17.309 -2.415 1.00 0.00 ATOM 721 CB VAL 94 -2.142 -18.406 -1.453 1.00 0.00 ATOM 722 CG1 VAL 94 -1.675 -19.776 -1.922 1.00 0.00 ATOM 723 CG2 VAL 94 -1.600 -18.168 -0.051 1.00 0.00 ATOM 724 O VAL 94 -1.073 -18.453 -4.445 1.00 0.00 ATOM 725 C VAL 94 -1.943 -17.855 -3.819 1.00 0.00 ATOM 726 N GLY 95 -3.155 -17.649 -4.322 1.00 0.00 ATOM 727 CA GLY 95 -3.503 -18.179 -5.636 1.00 0.00 ATOM 728 O GLY 95 -3.059 -17.826 -7.966 1.00 0.00 ATOM 729 C GLY 95 -2.962 -17.381 -6.826 1.00 0.00 ATOM 730 N CYS 96 -2.384 -16.208 -6.572 1.00 0.00 ATOM 731 CA CYS 96 -1.829 -15.405 -7.661 1.00 0.00 ATOM 732 CB CYS 96 -1.214 -14.115 -7.115 1.00 0.00 ATOM 733 SG CYS 96 0.296 -14.357 -6.152 1.00 0.00 ATOM 734 O CYS 96 -0.130 -17.089 -7.754 1.00 0.00 ATOM 735 C CYS 96 -0.749 -16.225 -8.367 1.00 0.00 ATOM 736 N LYS 97 -0.530 -15.962 -9.653 1.00 0.00 ATOM 737 CA LYS 97 0.498 -16.691 -10.400 1.00 0.00 ATOM 738 CB LYS 97 0.471 -16.294 -11.876 1.00 0.00 ATOM 739 CG LYS 97 1.454 -17.062 -12.745 1.00 0.00 ATOM 740 CD LYS 97 1.314 -16.680 -14.209 1.00 0.00 ATOM 741 CE LYS 97 2.310 -17.435 -15.075 1.00 0.00 ATOM 742 NZ LYS 97 2.173 -17.083 -16.515 1.00 0.00 ATOM 743 O LYS 97 2.196 -15.204 -9.601 1.00 0.00 ATOM 744 C LYS 97 1.876 -16.370 -9.828 1.00 0.00 ATOM 745 N PRO 98 2.674 -17.411 -9.598 1.00 0.00 ATOM 746 CA PRO 98 4.024 -17.276 -9.053 1.00 0.00 ATOM 747 CB PRO 98 4.641 -18.662 -9.248 1.00 0.00 ATOM 748 CG PRO 98 3.482 -19.600 -9.187 1.00 0.00 ATOM 749 CD PRO 98 2.355 -18.915 -9.907 1.00 0.00 ATOM 750 O PRO 98 5.548 -15.430 -9.259 1.00 0.00 ATOM 751 C PRO 98 4.778 -16.200 -9.822 1.00 0.00 ATOM 752 N GLU 99 4.536 -16.167 -11.122 1.00 0.00 ATOM 753 CA GLU 99 5.165 -15.208 -12.001 1.00 0.00 ATOM 754 CB GLU 99 4.736 -15.447 -13.450 1.00 0.00 ATOM 755 CG GLU 99 5.400 -14.520 -14.455 1.00 0.00 ATOM 756 CD GLU 99 4.995 -14.824 -15.885 1.00 0.00 ATOM 757 OE1 GLU 99 4.209 -15.773 -16.090 1.00 0.00 ATOM 758 OE2 GLU 99 5.463 -14.113 -16.799 1.00 0.00 ATOM 759 O GLU 99 5.624 -12.881 -11.590 1.00 0.00 ATOM 760 C GLU 99 4.780 -13.777 -11.621 1.00 0.00 ATOM 761 N GLN 100 3.498 -13.567 -11.349 1.00 0.00 ATOM 762 CA GLN 100 3.033 -12.241 -10.980 1.00 0.00 ATOM 763 CB GLN 100 1.506 -12.213 -10.893 1.00 0.00 ATOM 764 CG GLN 100 0.805 -12.339 -12.236 1.00 0.00 ATOM 765 CD GLN 100 -0.704 -12.420 -12.101 1.00 0.00 ATOM 766 OE1 GLN 100 -1.234 -12.483 -10.992 1.00 0.00 ATOM 767 NE2 GLN 100 -1.398 -12.419 -13.232 1.00 0.00 ATOM 768 O GLN 100 4.053 -10.728 -9.427 1.00 0.00 ATOM 769 C GLN 100 3.616 -11.860 -9.621 1.00 0.00 ATOM 770 N GLN 101 3.647 -12.814 -8.691 1.00 0.00 ATOM 771 CA GLN 101 4.201 -12.561 -7.365 1.00 0.00 ATOM 772 CB GLN 101 4.175 -13.839 -6.522 1.00 0.00 ATOM 773 CG GLN 101 4.681 -13.654 -5.101 1.00 0.00 ATOM 774 CD GLN 101 4.597 -14.929 -4.283 1.00 0.00 ATOM 775 OE1 GLN 101 4.221 -15.983 -4.794 1.00 0.00 ATOM 776 NE2 GLN 101 4.947 -14.834 -3.005 1.00 0.00 ATOM 777 O GLN 101 6.061 -11.179 -6.735 1.00 0.00 ATOM 778 C GLN 101 5.644 -12.082 -7.462 1.00 0.00 ATOM 779 N MET 102 6.409 -12.691 -8.364 1.00 0.00 ATOM 780 CA MET 102 7.804 -12.313 -8.545 1.00 0.00 ATOM 781 CB MET 102 8.511 -13.297 -9.480 1.00 0.00 ATOM 782 CG MET 102 8.708 -14.683 -8.888 1.00 0.00 ATOM 783 SD MET 102 9.720 -14.663 -7.395 1.00 0.00 ATOM 784 CE MET 102 11.316 -14.219 -8.075 1.00 0.00 ATOM 785 O MET 102 8.773 -10.129 -8.779 1.00 0.00 ATOM 786 C MET 102 7.904 -10.916 -9.150 1.00 0.00 ATOM 787 N MET 103 7.002 -10.612 -10.073 1.00 0.00 ATOM 788 CA MET 103 6.972 -9.296 -10.709 1.00 0.00 ATOM 789 CB MET 103 5.887 -9.246 -11.786 1.00 0.00 ATOM 790 CG MET 103 6.185 -10.099 -13.008 1.00 0.00 ATOM 791 SD MET 103 4.827 -10.117 -14.193 1.00 0.00 ATOM 792 CE MET 103 4.871 -8.427 -14.785 1.00 0.00 ATOM 793 O MET 103 7.356 -7.189 -9.626 1.00 0.00 ATOM 794 C MET 103 6.677 -8.210 -9.670 1.00 0.00 ATOM 795 N TYR 104 5.680 -8.428 -8.821 1.00 0.00 ATOM 796 CA TYR 104 5.374 -7.425 -7.800 1.00 0.00 ATOM 797 CB TYR 104 4.098 -7.802 -7.044 1.00 0.00 ATOM 798 CG TYR 104 2.829 -7.587 -7.839 1.00 0.00 ATOM 799 CD1 TYR 104 2.146 -8.663 -8.390 1.00 0.00 ATOM 800 CD2 TYR 104 2.320 -6.310 -8.035 1.00 0.00 ATOM 801 CE1 TYR 104 0.985 -8.476 -9.118 1.00 0.00 ATOM 802 CE2 TYR 104 1.162 -6.105 -8.760 1.00 0.00 ATOM 803 CZ TYR 104 0.494 -7.202 -9.302 1.00 0.00 ATOM 804 OH TYR 104 -0.660 -7.013 -10.025 1.00 0.00 ATOM 805 O TYR 104 6.899 -6.210 -6.391 1.00 0.00 ATOM 806 C TYR 104 6.511 -7.311 -6.788 1.00 0.00 ATOM 807 N ALA 105 7.069 -8.449 -6.395 1.00 0.00 ATOM 808 CA ALA 105 8.152 -8.451 -5.421 1.00 0.00 ATOM 809 CB ALA 105 8.519 -9.876 -5.036 1.00 0.00 ATOM 810 O ALA 105 10.077 -7.019 -5.227 1.00 0.00 ATOM 811 C ALA 105 9.427 -7.780 -5.948 1.00 0.00 ATOM 812 N GLY 106 9.775 -8.044 -7.203 1.00 0.00 ATOM 813 CA GLY 106 10.987 -7.472 -7.776 1.00 0.00 ATOM 814 O GLY 106 11.861 -5.307 -8.321 1.00 0.00 ATOM 815 C GLY 106 10.858 -5.994 -8.133 1.00 0.00 ATOM 816 N SER 107 9.629 -5.498 -8.212 1.00 0.00 ATOM 817 CA SER 107 9.398 -4.098 -8.547 1.00 0.00 ATOM 818 CB SER 107 8.308 -3.973 -9.612 1.00 0.00 ATOM 819 OG SER 107 7.071 -4.475 -9.137 1.00 0.00 ATOM 820 O SER 107 8.782 -2.058 -7.439 1.00 0.00 ATOM 821 C SER 107 8.953 -3.273 -7.341 1.00 0.00 ATOM 822 N LYS 108 8.774 -3.940 -6.206 1.00 0.00 ATOM 823 CA LYS 108 8.315 -3.287 -4.983 1.00 0.00 ATOM 824 CB LYS 108 8.309 -4.278 -3.817 1.00 0.00 ATOM 825 CG LYS 108 7.268 -5.377 -3.941 1.00 0.00 ATOM 826 CD LYS 108 7.299 -6.307 -2.739 1.00 0.00 ATOM 827 CE LYS 108 6.313 -7.452 -2.900 1.00 0.00 ATOM 828 NZ LYS 108 6.300 -8.346 -1.709 1.00 0.00 ATOM 829 O LYS 108 8.663 -0.994 -4.384 1.00 0.00 ATOM 830 C LYS 108 9.169 -2.106 -4.538 1.00 0.00 ATOM 831 N ASN 109 10.462 -2.340 -4.329 1.00 0.00 ATOM 832 CA ASN 109 11.340 -1.271 -3.873 1.00 0.00 ATOM 833 CB ASN 109 12.771 -1.788 -3.710 1.00 0.00 ATOM 834 CG ASN 109 12.932 -2.685 -2.498 1.00 0.00 ATOM 835 ND2 ASN 109 13.988 -3.490 -2.495 1.00 0.00 ATOM 836 OD1 ASN 109 12.116 -2.651 -1.577 1.00 0.00 ATOM 837 O ASN 109 11.419 1.062 -4.397 1.00 0.00 ATOM 838 C ASN 109 11.406 -0.088 -4.830 1.00 0.00 ATOM 839 N ARG 110 11.451 -0.371 -6.125 1.00 0.00 ATOM 840 CA ARG 110 11.507 0.685 -7.131 1.00 0.00 ATOM 841 CB ARG 110 11.588 0.084 -8.534 1.00 0.00 ATOM 842 CG ARG 110 12.921 -0.576 -8.852 1.00 0.00 ATOM 843 CD ARG 110 12.907 -1.214 -10.232 1.00 0.00 ATOM 844 NE ARG 110 14.171 -1.877 -10.541 1.00 0.00 ATOM 845 CZ ARG 110 14.398 -2.573 -11.649 1.00 0.00 ATOM 846 NH1 ARG 110 15.580 -3.142 -11.845 1.00 0.00 ATOM 847 NH2 ARG 110 13.444 -2.700 -12.561 1.00 0.00 ATOM 848 O ARG 110 10.340 2.783 -7.188 1.00 0.00 ATOM 849 C ARG 110 10.259 1.560 -7.049 1.00 0.00 ATOM 850 N LEU 111 9.107 0.935 -6.817 1.00 0.00 ATOM 851 CA LEU 111 7.853 1.676 -6.723 1.00 0.00 ATOM 852 CB LEU 111 6.661 0.717 -6.739 1.00 0.00 ATOM 853 CG LEU 111 5.274 1.357 -6.632 1.00 0.00 ATOM 854 CD1 LEU 111 5.025 2.295 -7.804 1.00 0.00 ATOM 855 CD2 LEU 111 4.190 0.291 -6.636 1.00 0.00 ATOM 856 O LEU 111 7.420 3.664 -5.446 1.00 0.00 ATOM 857 C LEU 111 7.790 2.490 -5.432 1.00 0.00 ATOM 858 N VAL 112 8.149 1.852 -4.322 1.00 0.00 ATOM 859 CA VAL 112 8.158 2.493 -3.009 1.00 0.00 ATOM 860 CB VAL 112 8.750 1.564 -1.931 1.00 0.00 ATOM 861 CG1 VAL 112 8.944 2.319 -0.625 1.00 0.00 ATOM 862 CG2 VAL 112 7.821 0.388 -1.672 1.00 0.00 ATOM 863 O VAL 112 8.620 4.770 -2.420 1.00 0.00 ATOM 864 C VAL 112 8.991 3.767 -3.025 1.00 0.00 ATOM 865 N GLN 113 10.127 3.704 -3.714 1.00 0.00 ATOM 866 CA GLN 113 11.044 4.831 -3.821 1.00 0.00 ATOM 867 CB GLN 113 12.160 4.522 -4.820 1.00 0.00 ATOM 868 CG GLN 113 13.199 3.538 -4.305 1.00 0.00 ATOM 869 CD GLN 113 14.245 3.196 -5.348 1.00 0.00 ATOM 870 OE1 GLN 113 14.218 3.718 -6.463 1.00 0.00 ATOM 871 NE2 GLN 113 15.172 2.317 -4.988 1.00 0.00 ATOM 872 O GLN 113 10.797 7.210 -4.032 1.00 0.00 ATOM 873 C GLN 113 10.338 6.098 -4.295 1.00 0.00 ATOM 874 N THR 114 9.221 5.931 -4.996 1.00 0.00 ATOM 875 CA THR 114 8.473 7.076 -5.493 1.00 0.00 ATOM 876 CB THR 114 7.652 6.713 -6.745 1.00 0.00 ATOM 877 CG2 THR 114 8.563 6.193 -7.846 1.00 0.00 ATOM 878 OG1 THR 114 6.695 5.699 -6.416 1.00 0.00 ATOM 879 O THR 114 6.932 8.691 -4.632 1.00 0.00 ATOM 880 C THR 114 7.495 7.612 -4.457 1.00 0.00 ATOM 881 N ALA 115 7.307 6.862 -3.379 1.00 0.00 ATOM 882 CA ALA 115 6.367 7.240 -2.331 1.00 0.00 ATOM 883 CB ALA 115 5.427 6.086 -2.020 1.00 0.00 ATOM 884 O ALA 115 7.020 6.882 -0.047 1.00 0.00 ATOM 885 C ALA 115 7.062 7.626 -1.025 1.00 0.00 ATOM 886 N GLU 116 7.626 8.996 2.490 1.00 0.00 ATOM 887 CA GLU 116 6.738 9.252 3.607 1.00 0.00 ATOM 888 CB GLU 116 5.568 10.136 3.170 1.00 0.00 ATOM 889 CG GLU 116 4.580 9.444 2.243 1.00 0.00 ATOM 890 CD GLU 116 5.033 9.455 0.796 1.00 0.00 ATOM 891 OE1 GLU 116 6.180 9.877 0.536 1.00 0.00 ATOM 892 OE2 GLU 116 4.242 9.042 -0.077 1.00 0.00 ATOM 893 O GLU 116 5.369 8.071 5.167 1.00 0.00 ATOM 894 C GLU 116 6.137 7.996 4.207 1.00 0.00 ATOM 895 N LEU 117 6.476 6.837 3.650 1.00 0.00 ATOM 896 CA LEU 117 5.952 5.582 4.178 1.00 0.00 ATOM 897 CB LEU 117 6.350 4.413 3.275 1.00 0.00 ATOM 898 CG LEU 117 5.743 4.404 1.870 1.00 0.00 ATOM 899 CD1 LEU 117 6.319 3.265 1.044 1.00 0.00 ATOM 900 CD2 LEU 117 4.235 4.226 1.938 1.00 0.00 ATOM 901 O LEU 117 7.726 5.519 5.792 1.00 0.00 ATOM 902 C LEU 117 6.527 5.361 5.575 1.00 0.00 ATOM 903 N THR 118 5.675 4.999 6.527 1.00 0.00 ATOM 904 CA THR 118 6.133 4.789 7.894 1.00 0.00 ATOM 905 CB THR 118 5.240 5.527 8.909 1.00 0.00 ATOM 906 CG2 THR 118 5.239 7.021 8.628 1.00 0.00 ATOM 907 OG1 THR 118 3.897 5.035 8.813 1.00 0.00 ATOM 908 O THR 118 6.917 2.956 9.223 1.00 0.00 ATOM 909 C THR 118 6.147 3.329 8.337 1.00 0.00 ATOM 910 N LYS 119 5.288 2.516 7.729 1.00 0.00 ATOM 911 CA LYS 119 5.214 1.093 8.045 1.00 0.00 ATOM 912 CB LYS 119 4.019 0.808 8.956 1.00 0.00 ATOM 913 CG LYS 119 4.141 1.408 10.346 1.00 0.00 ATOM 914 CD LYS 119 2.965 1.012 11.224 1.00 0.00 ATOM 915 CE LYS 119 3.089 1.611 12.617 1.00 0.00 ATOM 916 NZ LYS 119 1.929 1.254 13.480 1.00 0.00 ATOM 917 O LYS 119 4.297 0.730 5.855 1.00 0.00 ATOM 918 C LYS 119 5.057 0.324 6.736 1.00 0.00 ATOM 919 N VAL 120 5.785 -0.776 6.605 1.00 0.00 ATOM 920 CA VAL 120 5.696 -1.583 5.398 1.00 0.00 ATOM 921 CB VAL 120 7.073 -1.748 4.726 1.00 0.00 ATOM 922 CG1 VAL 120 6.961 -2.630 3.492 1.00 0.00 ATOM 923 CG2 VAL 120 7.623 -0.393 4.300 1.00 0.00 ATOM 924 O VAL 120 5.641 -3.605 6.694 1.00 0.00 ATOM 925 C VAL 120 5.165 -2.963 5.754 1.00 0.00 ATOM 926 N PHE 121 4.179 -3.414 4.990 1.00 0.00 ATOM 927 CA PHE 121 3.564 -4.705 5.240 1.00 0.00 ATOM 928 CB PHE 121 2.145 -4.525 5.785 1.00 0.00 ATOM 929 CG PHE 121 2.087 -3.797 7.095 1.00 0.00 ATOM 930 CD1 PHE 121 1.905 -2.425 7.134 1.00 0.00 ATOM 931 CD2 PHE 121 2.211 -4.483 8.292 1.00 0.00 ATOM 932 CE1 PHE 121 1.850 -1.755 8.342 1.00 0.00 ATOM 933 CE2 PHE 121 2.156 -3.812 9.499 1.00 0.00 ATOM 934 CZ PHE 121 1.978 -2.454 9.528 1.00 0.00 ATOM 935 O PHE 121 3.394 -5.011 2.870 1.00 0.00 ATOM 936 C PHE 121 3.471 -5.547 3.981 1.00 0.00 ATOM 937 N GLU 122 3.498 -6.862 4.161 1.00 0.00 ATOM 938 CA GLU 122 3.289 -7.780 3.055 1.00 0.00 ATOM 939 CB GLU 122 4.540 -8.628 2.818 1.00 0.00 ATOM 940 CG GLU 122 4.412 -9.617 1.672 1.00 0.00 ATOM 941 CD GLU 122 5.683 -10.413 1.444 1.00 0.00 ATOM 942 OE1 GLU 122 6.644 -10.234 2.221 1.00 0.00 ATOM 943 OE2 GLU 122 5.717 -11.216 0.487 1.00 0.00 ATOM 944 O GLU 122 2.184 -9.108 4.709 1.00 0.00 ATOM 945 C GLU 122 2.108 -8.569 3.600 1.00 0.00 ATOM 946 N ILE 123 1.024 -8.624 2.834 1.00 0.00 ATOM 947 CA ILE 123 -0.183 -9.305 3.271 1.00 0.00 ATOM 948 CB ILE 123 -1.378 -8.336 3.357 1.00 0.00 ATOM 949 CG1 ILE 123 -1.656 -7.710 1.988 1.00 0.00 ATOM 950 CG2 ILE 123 -1.088 -7.220 4.348 1.00 0.00 ATOM 951 CD1 ILE 123 -2.934 -6.902 1.935 1.00 0.00 ATOM 952 O ILE 123 -0.522 -10.424 1.156 1.00 0.00 ATOM 953 C ILE 123 -0.669 -10.451 2.379 1.00 0.00 ATOM 954 N ARG 124 -1.249 -11.461 3.019 1.00 0.00 ATOM 955 CA ARG 124 -1.806 -12.605 2.313 1.00 0.00 ATOM 956 CB ARG 124 -0.753 -13.704 2.159 1.00 0.00 ATOM 957 CG ARG 124 -0.274 -14.294 3.477 1.00 0.00 ATOM 958 CD ARG 124 0.797 -15.348 3.254 1.00 0.00 ATOM 959 NE ARG 124 1.215 -15.977 4.504 1.00 0.00 ATOM 960 CZ ARG 124 2.165 -16.903 4.594 1.00 0.00 ATOM 961 NH1 ARG 124 2.477 -17.418 5.774 1.00 0.00 ATOM 962 NH2 ARG 124 2.799 -17.310 3.503 1.00 0.00 ATOM 963 O ARG 124 -3.071 -12.932 4.323 1.00 0.00 ATOM 964 C ARG 124 -2.992 -13.144 3.115 1.00 0.00 ATOM 965 N THR 125 -3.911 -13.828 2.441 1.00 0.00 ATOM 966 CA THR 125 -5.098 -14.368 3.097 1.00 0.00 ATOM 967 CB THR 125 -6.382 -14.009 2.325 1.00 0.00 ATOM 968 CG2 THR 125 -7.601 -14.595 3.020 1.00 0.00 ATOM 969 OG1 THR 125 -6.522 -12.584 2.262 1.00 0.00 ATOM 970 O THR 125 -5.248 -16.596 2.214 1.00 0.00 ATOM 971 C THR 125 -5.047 -15.891 3.204 1.00 0.00 ATOM 972 N THR 126 -4.777 -16.419 4.408 1.00 0.00 ATOM 973 CA THR 126 -4.709 -17.870 4.617 1.00 0.00 ATOM 974 CB THR 126 -4.115 -18.214 5.996 1.00 0.00 ATOM 975 CG2 THR 126 -2.699 -17.671 6.116 1.00 0.00 ATOM 976 OG1 THR 126 -4.923 -17.634 7.026 1.00 0.00 ATOM 977 O THR 126 -6.160 -19.761 4.924 1.00 0.00 ATOM 978 C THR 126 -6.063 -18.589 4.557 1.00 0.00 ATOM 979 N ASP 127 -7.104 -17.887 4.115 1.00 0.00 ATOM 980 CA ASP 127 -8.427 -18.499 3.999 1.00 0.00 ATOM 981 CB ASP 127 -9.489 -17.607 4.644 1.00 0.00 ATOM 982 CG ASP 127 -10.847 -18.277 4.717 1.00 0.00 ATOM 983 OD1 ASP 127 -10.918 -19.503 4.484 1.00 0.00 ATOM 984 OD2 ASP 127 -11.840 -17.577 5.007 1.00 0.00 ATOM 985 O ASP 127 -9.915 -18.826 2.128 1.00 0.00 ATOM 986 C ASP 127 -8.750 -18.682 2.516 1.00 0.00 TER END