PFRMAT TS TARGET T0307 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 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 near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. 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 We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. 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 which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD METHOD Model 1 is try24-opt2, optimized from a 4-helix bundle hand-built by ProteinShop. METHOD Model 2 is try26-opt2, edited then ptimized from a model built from METHOD alignments (probably mainly 1afvA). METHOD Model 3 is try3-opt2, built from alignments (probably mainly 1ireA) METHOD Model 4 is try1-opt2, the fully automatic model (probably mainly from METHOD an alignment to 1yqyA). METHOD Model 5 is try25-opt2, optimized from ROBETTA_TS4, the best-scoring METHOD server model with our cost functions. METHOD REMARK 6 REMARK 6 T0307 model 5 Tue Jul 11 08:18:13 2006 MODEL 5 PARENT N/A ATOM 1 N MET 1 15.546 1.545 -6.284 1.00 0.00 ATOM 2 CA MET 1 14.294 2.289 -6.352 1.00 0.00 ATOM 3 CB MET 1 13.833 1.909 -8.030 1.00 0.00 ATOM 4 CG MET 1 14.819 1.231 -8.912 1.00 0.00 ATOM 5 SD MET 1 13.788 0.225 -10.082 1.00 0.00 ATOM 6 CE MET 1 13.101 1.570 -11.250 1.00 0.00 ATOM 7 O MET 1 12.291 2.496 -5.045 1.00 0.00 ATOM 8 C MET 1 13.396 1.969 -5.161 1.00 0.00 ATOM 9 N GLY 2 13.880 1.099 -4.280 1.00 0.00 ATOM 10 CA GLY 2 13.102 0.667 -3.125 1.00 0.00 ATOM 11 O GLY 2 10.808 -0.010 -2.928 1.00 0.00 ATOM 12 C GLY 2 11.865 -0.113 -3.552 1.00 0.00 ATOM 13 N LEU 3 12.002 -0.893 -4.619 1.00 0.00 ATOM 14 CA LEU 3 10.887 -1.669 -5.149 1.00 0.00 ATOM 15 CB LEU 3 10.824 -1.491 -6.658 1.00 0.00 ATOM 16 CG LEU 3 9.740 -2.217 -7.458 1.00 0.00 ATOM 17 CD1 LEU 3 8.369 -1.735 -7.020 1.00 0.00 ATOM 18 CD2 LEU 3 9.940 -1.952 -8.943 1.00 0.00 ATOM 19 O LEU 3 12.285 -3.613 -4.962 1.00 0.00 ATOM 20 C LEU 3 11.139 -3.165 -4.991 1.00 0.00 ATOM 21 N GLY 4 10.059 -3.934 -4.890 1.00 0.00 ATOM 22 CA GLY 4 10.133 -5.382 -5.042 1.00 0.00 ATOM 23 O GLY 4 10.315 -7.310 -3.622 1.00 0.00 ATOM 24 C GLY 4 10.318 -6.081 -3.700 1.00 0.00 ATOM 25 N ARG 5 10.482 -5.290 -2.644 1.00 0.00 ATOM 26 CA ARG 5 10.699 -5.831 -1.307 1.00 0.00 ATOM 27 CB ARG 5 11.303 -4.803 -0.362 1.00 0.00 ATOM 28 CG ARG 5 12.726 -4.386 -0.697 1.00 0.00 ATOM 29 CD ARG 5 13.293 -3.356 0.211 1.00 0.00 ATOM 30 NE ARG 5 12.655 -2.053 0.116 1.00 0.00 ATOM 31 CZ ARG 5 12.891 -1.023 0.952 1.00 0.00 ATOM 32 NH1 ARG 5 13.718 -1.150 1.967 1.00 0.00 ATOM 33 NH2 ARG 5 12.251 0.112 0.741 1.00 0.00 ATOM 34 O ARG 5 8.334 -5.843 -0.891 1.00 0.00 ATOM 35 C ARG 5 9.420 -6.389 -0.693 1.00 0.00 ATOM 36 N GLN 6 9.553 -7.490 0.040 1.00 0.00 ATOM 37 CA GLN 6 8.416 -8.098 0.721 1.00 0.00 ATOM 38 CB GLN 6 8.736 -9.513 1.168 1.00 0.00 ATOM 39 CG GLN 6 8.892 -10.489 0.007 1.00 0.00 ATOM 40 CD GLN 6 10.310 -10.582 -0.542 1.00 0.00 ATOM 41 OE1 GLN 6 11.117 -9.660 -0.398 1.00 0.00 ATOM 42 NE2 GLN 6 10.612 -11.709 -1.186 1.00 0.00 ATOM 43 O GLN 6 6.775 -6.956 2.049 1.00 0.00 ATOM 44 C GLN 6 7.956 -7.279 1.924 1.00 0.00 ATOM 45 N SER 7 8.902 -6.917 2.784 1.00 0.00 ATOM 46 CA SER 7 8.603 -6.097 3.952 1.00 0.00 ATOM 47 CB SER 7 9.419 -6.527 5.118 1.00 0.00 ATOM 48 OG SER 7 10.777 -6.551 4.753 1.00 0.00 ATOM 49 O SER 7 9.864 -4.489 2.594 1.00 0.00 ATOM 50 C SER 7 8.998 -4.731 3.445 1.00 0.00 ATOM 51 N LEU 8 8.267 -3.696 4.026 1.00 0.00 ATOM 52 CA LEU 8 8.523 -2.303 3.713 1.00 0.00 ATOM 53 CB LEU 8 7.201 -1.589 3.346 1.00 0.00 ATOM 54 CG LEU 8 7.187 -0.157 2.797 1.00 0.00 ATOM 55 CD1 LEU 8 7.833 -0.093 1.411 1.00 0.00 ATOM 56 CD2 LEU 8 5.764 0.385 2.741 1.00 0.00 ATOM 57 O LEU 8 8.819 -1.774 6.037 1.00 0.00 ATOM 58 C LEU 8 9.276 -1.704 4.897 1.00 0.00 ATOM 59 N ASN 9 10.440 -1.126 4.620 1.00 0.00 ATOM 60 CA ASN 9 11.108 -0.249 5.574 1.00 0.00 ATOM 61 CB ASN 9 12.484 -0.719 5.849 1.00 0.00 ATOM 62 CG ASN 9 12.411 -1.979 6.641 1.00 0.00 ATOM 63 ND2 ASN 9 13.166 -2.971 6.211 1.00 0.00 ATOM 64 OD1 ASN 9 11.629 -2.090 7.590 1.00 0.00 ATOM 65 O ASN 9 12.183 1.540 4.388 1.00 0.00 ATOM 66 C ASN 9 11.205 1.175 5.040 1.00 0.00 ATOM 67 N ILE 10 10.184 1.978 5.321 1.00 0.00 ATOM 68 CA ILE 10 10.100 3.330 4.781 1.00 0.00 ATOM 69 CB ILE 10 9.094 3.412 3.619 1.00 0.00 ATOM 70 CG1 ILE 10 7.696 3.005 4.093 1.00 0.00 ATOM 71 CG2 ILE 10 9.544 2.534 2.461 1.00 0.00 ATOM 72 CD1 ILE 10 6.610 3.248 3.070 1.00 0.00 ATOM 73 O ILE 10 8.972 4.013 6.758 1.00 0.00 ATOM 74 C ILE 10 9.673 4.348 5.825 1.00 0.00 ATOM 75 N MET 11 10.060 5.607 5.625 1.00 0.00 ATOM 76 CA MET 11 9.614 6.670 6.530 1.00 0.00 ATOM 77 CB MET 11 10.790 7.498 7.080 1.00 0.00 ATOM 78 CG MET 11 10.342 8.621 8.017 1.00 0.00 ATOM 79 SD MET 11 11.689 9.652 8.645 1.00 0.00 ATOM 80 CE MET 11 12.484 8.497 9.767 1.00 0.00 ATOM 81 O MET 11 8.990 8.038 4.719 1.00 0.00 ATOM 82 C MET 11 8.735 7.729 5.887 1.00 0.00 ATOM 83 N THR 12 7.689 8.197 6.562 1.00 0.00 ATOM 84 CA THR 12 6.976 9.353 6.039 1.00 0.00 ATOM 85 CB THR 12 5.507 9.290 6.494 1.00 0.00 ATOM 86 CG2 THR 12 4.732 10.491 5.974 1.00 0.00 ATOM 87 OG1 THR 12 4.902 8.087 6.004 1.00 0.00 ATOM 88 O THR 12 7.544 10.969 7.722 1.00 0.00 ATOM 89 C THR 12 7.635 10.635 6.541 1.00 0.00 ATOM 90 N PHE 13 8.299 11.346 5.636 1.00 0.00 ATOM 91 CA PHE 13 9.074 12.525 6.007 1.00 0.00 ATOM 92 CB PHE 13 10.568 12.215 6.123 1.00 0.00 ATOM 93 CG PHE 13 11.428 13.435 6.292 1.00 0.00 ATOM 94 CD1 PHE 13 11.338 14.209 7.440 1.00 0.00 ATOM 95 CD2 PHE 13 12.326 13.810 5.307 1.00 0.00 ATOM 96 CE1 PHE 13 12.129 15.332 7.598 1.00 0.00 ATOM 97 CE2 PHE 13 13.119 14.932 5.463 1.00 0.00 ATOM 98 CZ PHE 13 13.020 15.693 6.609 1.00 0.00 ATOM 99 O PHE 13 8.853 13.350 3.759 1.00 0.00 ATOM 100 C PHE 13 8.857 13.610 4.964 1.00 0.00 ATOM 101 N SER 14 8.689 14.840 5.461 1.00 0.00 ATOM 102 CA SER 14 8.553 16.038 4.654 1.00 0.00 ATOM 103 CB SER 14 7.063 16.511 4.645 1.00 0.00 ATOM 104 OG SER 14 6.164 15.431 4.409 1.00 0.00 ATOM 105 O SER 14 9.668 17.525 6.165 1.00 0.00 ATOM 106 C SER 14 9.582 17.094 5.019 1.00 0.00 ATOM 107 N GLY 15 10.349 17.563 4.042 1.00 0.00 ATOM 108 CA GLY 15 11.382 18.549 4.271 1.00 0.00 ATOM 109 O GLY 15 12.158 17.885 2.115 1.00 0.00 ATOM 110 C GLY 15 12.338 18.604 3.097 1.00 0.00 ATOM 111 N GLN 16 13.408 19.492 3.274 1.00 0.00 ATOM 112 CA GLN 16 14.392 19.609 2.205 1.00 0.00 ATOM 113 CB GLN 16 14.951 21.034 2.238 1.00 0.00 ATOM 114 CG GLN 16 13.920 22.113 1.953 1.00 0.00 ATOM 115 CD GLN 16 14.500 23.511 2.065 1.00 0.00 ATOM 116 OE1 GLN 16 15.703 23.684 2.283 1.00 0.00 ATOM 117 NE2 GLN 16 13.647 24.518 1.921 1.00 0.00 ATOM 118 O GLN 16 16.492 18.659 1.546 1.00 0.00 ATOM 119 C GLN 16 15.541 18.615 2.326 1.00 0.00 ATOM 120 N GLU 17 15.484 17.775 3.354 1.00 0.00 ATOM 121 CA GLU 17 16.577 16.858 3.656 1.00 0.00 ATOM 122 CB GLU 17 16.973 16.950 5.131 1.00 0.00 ATOM 123 CG GLU 17 17.405 18.338 5.580 1.00 0.00 ATOM 124 CD GLU 17 18.614 18.808 4.819 1.00 0.00 ATOM 125 OE1 GLU 17 19.546 18.049 4.696 1.00 0.00 ATOM 126 OE2 GLU 17 18.564 19.881 4.266 1.00 0.00 ATOM 127 O GLU 17 16.796 14.470 3.799 1.00 0.00 ATOM 128 C GLU 17 16.202 15.423 3.294 1.00 0.00 ATOM 129 N LEU 18 15.212 15.279 2.419 1.00 0.00 ATOM 130 CA LEU 18 14.721 13.963 2.030 1.00 0.00 ATOM 131 CB LEU 18 13.541 14.104 1.060 1.00 0.00 ATOM 132 CG LEU 18 12.206 14.493 1.707 1.00 0.00 ATOM 133 CD1 LEU 18 11.229 14.971 0.642 1.00 0.00 ATOM 134 CD2 LEU 18 11.640 13.299 2.461 1.00 0.00 ATOM 135 O LEU 18 16.166 12.102 1.640 1.00 0.00 ATOM 136 C LEU 18 15.862 13.243 1.343 1.00 0.00 ATOM 137 N THR 19 16.554 13.967 0.476 1.00 0.00 ATOM 138 CA THR 19 17.682 13.420 -0.232 1.00 0.00 ATOM 139 CB THR 19 18.194 14.385 -1.320 1.00 0.00 ATOM 140 CG2 THR 19 19.423 13.877 -2.059 1.00 0.00 ATOM 141 OG1 THR 19 17.143 14.567 -2.281 1.00 0.00 ATOM 142 O THR 19 19.374 12.035 0.652 1.00 0.00 ATOM 143 C THR 19 18.785 13.074 0.734 1.00 0.00 ATOM 144 N ALA 20 19.090 13.996 1.653 1.00 0.00 ATOM 145 CA ALA 20 20.135 13.793 2.649 1.00 0.00 ATOM 146 CB ALA 20 20.345 15.057 3.472 1.00 0.00 ATOM 147 O ALA 20 20.580 11.745 3.831 1.00 0.00 ATOM 148 C ALA 20 19.761 12.624 3.558 1.00 0.00 ATOM 149 N ILE 21 18.520 12.594 4.004 1.00 0.00 ATOM 150 CA ILE 21 18.050 11.514 4.869 1.00 0.00 ATOM 151 CB ILE 21 16.610 11.774 5.350 1.00 0.00 ATOM 152 CG1 ILE 21 16.567 12.992 6.275 1.00 0.00 ATOM 153 CG2 ILE 21 16.056 10.545 6.055 1.00 0.00 ATOM 154 CD1 ILE 21 15.169 13.479 6.580 1.00 0.00 ATOM 155 O ILE 21 18.467 9.154 4.745 1.00 0.00 ATOM 156 C ILE 21 18.123 10.169 4.147 1.00 0.00 ATOM 157 N ILE 22 17.707 10.138 2.880 1.00 0.00 ATOM 158 CA ILE 22 17.740 8.900 2.124 1.00 0.00 ATOM 159 CB ILE 22 17.201 9.130 0.720 1.00 0.00 ATOM 160 CG1 ILE 22 15.695 9.407 0.803 1.00 0.00 ATOM 161 CG2 ILE 22 17.489 7.959 -0.204 1.00 0.00 ATOM 162 CD1 ILE 22 15.111 9.969 -0.477 1.00 0.00 ATOM 163 O ILE 22 19.370 7.160 2.402 1.00 0.00 ATOM 164 C ILE 22 19.155 8.331 2.093 1.00 0.00 ATOM 165 N LYS 23 20.116 9.170 1.719 1.00 0.00 ATOM 166 CA LYS 23 21.511 8.753 1.645 1.00 0.00 ATOM 167 CB LYS 23 22.367 9.859 1.024 1.00 0.00 ATOM 168 CG LYS 23 22.114 10.090 -0.460 1.00 0.00 ATOM 169 CD LYS 23 22.997 11.202 -1.005 1.00 0.00 ATOM 170 CE LYS 23 22.736 11.443 -2.484 1.00 0.00 ATOM 171 NZ LYS 23 23.573 12.550 -3.025 1.00 0.00 ATOM 172 O LYS 23 22.862 7.451 3.144 1.00 0.00 ATOM 173 C LYS 23 22.050 8.366 3.019 1.00 0.00 ATOM 174 N MET 24 21.591 9.072 4.048 1.00 0.00 ATOM 175 CA MET 24 22.027 8.807 5.414 1.00 0.00 ATOM 176 CB MET 24 21.362 9.641 6.441 1.00 0.00 ATOM 177 CG MET 24 22.009 11.044 6.471 1.00 0.00 ATOM 178 SD MET 24 21.413 12.020 7.878 1.00 0.00 ATOM 179 CE MET 24 19.821 12.503 7.296 1.00 0.00 ATOM 180 O MET 24 22.379 6.559 6.178 1.00 0.00 ATOM 181 C MET 24 21.587 7.372 5.755 1.00 0.00 ATOM 182 N ALA 25 20.376 7.056 5.586 1.00 0.00 ATOM 183 CA ALA 25 19.855 5.724 5.913 1.00 0.00 ATOM 184 CB ALA 25 18.409 5.814 6.375 1.00 0.00 ATOM 185 O ALA 25 19.942 3.552 4.898 1.00 0.00 ATOM 186 C ALA 25 19.980 4.770 4.731 1.00 0.00 ATOM 187 N LYS 26 20.128 5.332 3.536 1.00 0.00 ATOM 188 CA LYS 26 20.065 4.549 2.308 1.00 0.00 ATOM 189 CB LYS 26 21.746 4.427 1.979 1.00 0.00 ATOM 190 CG LYS 26 22.159 3.091 2.594 1.00 0.00 ATOM 191 CD LYS 26 23.671 2.902 2.497 1.00 0.00 ATOM 192 CE LYS 26 24.089 1.555 3.050 1.00 0.00 ATOM 193 NZ LYS 26 25.567 1.362 2.933 1.00 0.00 ATOM 194 O LYS 26 18.862 2.492 2.017 1.00 0.00 ATOM 195 C LYS 26 18.801 3.697 2.260 1.00 0.00 ATOM 196 N SER 27 17.657 4.331 2.496 1.00 0.00 ATOM 197 CA SER 27 16.369 3.659 2.374 1.00 0.00 ATOM 198 CB SER 27 15.829 3.312 3.747 1.00 0.00 ATOM 199 OG SER 27 15.537 4.456 4.503 1.00 0.00 ATOM 200 O SER 27 15.559 5.730 1.471 1.00 0.00 ATOM 201 C SER 27 15.361 4.525 1.625 1.00 0.00 ATOM 202 N MET 28 14.262 3.910 1.198 1.00 0.00 ATOM 203 CA MET 28 13.180 4.640 0.550 1.00 0.00 ATOM 204 CB MET 28 12.410 3.712 -0.387 1.00 0.00 ATOM 205 CG MET 28 13.227 3.171 -1.551 1.00 0.00 ATOM 206 SD MET 28 13.713 4.460 -2.717 1.00 0.00 ATOM 207 CE MET 28 15.424 4.706 -2.255 1.00 0.00 ATOM 208 O MET 28 11.946 4.670 2.609 1.00 0.00 ATOM 209 C MET 28 12.247 5.273 1.578 1.00 0.00 ATOM 210 N VAL 29 11.771 6.475 1.277 1.00 0.00 ATOM 211 CA VAL 29 10.763 7.131 2.103 1.00 0.00 ATOM 212 CB VAL 29 11.379 8.203 3.022 1.00 0.00 ATOM 213 CG1 VAL 29 12.480 7.600 3.881 1.00 0.00 ATOM 214 CG2 VAL 29 11.921 9.362 2.199 1.00 0.00 ATOM 215 O VAL 29 9.796 7.799 0.010 1.00 0.00 ATOM 216 C VAL 29 9.671 7.740 1.233 1.00 0.00 ATOM 217 N MET 30 8.576 8.147 1.867 1.00 0.00 ATOM 218 CA MET 30 7.494 8.828 1.166 1.00 0.00 ATOM 219 CB MET 30 6.182 8.077 1.265 1.00 0.00 ATOM 220 CG MET 30 6.173 6.766 0.547 1.00 0.00 ATOM 221 SD MET 30 4.601 5.957 0.781 1.00 0.00 ATOM 222 CE MET 30 4.992 4.308 0.104 1.00 0.00 ATOM 223 O MET 30 7.487 10.168 3.173 1.00 0.00 ATOM 224 C MET 30 7.324 10.119 1.944 1.00 0.00 ATOM 225 N ALA 31 6.917 11.204 1.162 1.00 0.00 ATOM 226 CA ALA 31 6.610 12.489 1.799 1.00 0.00 ATOM 227 CB ALA 31 7.500 13.587 1.282 1.00 0.00 ATOM 228 O ALA 31 4.712 12.825 0.369 1.00 0.00 ATOM 229 C ALA 31 5.248 13.075 1.448 1.00 0.00 ATOM 230 N ASP 32 4.693 13.861 2.366 1.00 0.00 ATOM 231 CA ASP 32 3.397 14.493 2.151 1.00 0.00 ATOM 232 CB ASP 32 2.358 14.057 3.192 1.00 0.00 ATOM 233 CG ASP 32 2.622 14.532 4.629 1.00 0.00 ATOM 234 OD1 ASP 32 3.681 15.143 4.924 1.00 0.00 ATOM 235 OD2 ASP 32 1.820 14.296 5.588 1.00 0.00 ATOM 236 O ASP 32 2.518 16.726 2.065 1.00 0.00 ATOM 237 C ASP 32 3.515 16.014 2.176 1.00 0.00 ATOM 238 N GLY 33 4.743 16.504 2.321 1.00 0.00 ATOM 239 CA GLY 33 4.994 17.940 2.359 1.00 0.00 ATOM 240 O GLY 33 5.233 19.987 3.638 1.00 0.00 ATOM 241 C GLY 33 4.987 18.758 3.644 1.00 0.00 ATOM 242 N LYS 34 4.814 18.310 5.216 1.00 0.00 ATOM 243 CA LYS 34 4.778 19.064 6.485 1.00 0.00 ATOM 244 CB LYS 34 3.437 18.779 7.186 1.00 0.00 ATOM 245 CG LYS 34 2.330 19.578 6.523 1.00 0.00 ATOM 246 CD LYS 34 0.997 18.855 6.597 1.00 0.00 ATOM 247 CE LYS 34 -0.046 19.638 5.803 1.00 0.00 ATOM 248 NZ LYS 34 -0.008 21.088 6.175 1.00 0.00 ATOM 249 O LYS 34 5.979 19.479 8.521 1.00 0.00 ATOM 250 C LYS 34 5.835 18.751 7.538 1.00 0.00 ATOM 251 N ILE 35 6.569 17.665 7.327 1.00 0.00 ATOM 252 CA ILE 35 7.423 17.102 8.368 1.00 0.00 ATOM 253 CB ILE 35 7.587 15.580 8.204 1.00 0.00 ATOM 254 CG1 ILE 35 6.228 14.883 8.312 1.00 0.00 ATOM 255 CG2 ILE 35 8.554 15.034 9.242 1.00 0.00 ATOM 256 CD1 ILE 35 6.263 13.418 7.941 1.00 0.00 ATOM 257 O ILE 35 9.535 17.670 7.382 1.00 0.00 ATOM 258 C ILE 35 8.801 17.756 8.366 1.00 0.00 ATOM 259 N LYS 36 9.133 18.426 9.464 1.00 0.00 ATOM 260 CA LYS 36 10.360 19.213 9.538 1.00 0.00 ATOM 261 CB LYS 36 10.224 20.318 10.588 1.00 0.00 ATOM 262 CG LYS 36 9.221 21.406 10.230 1.00 0.00 ATOM 263 CD LYS 36 9.129 22.456 11.327 1.00 0.00 ATOM 264 CE LYS 36 8.142 23.555 10.960 1.00 0.00 ATOM 265 NZ LYS 36 8.024 24.579 12.034 1.00 0.00 ATOM 266 O LYS 36 11.409 17.201 10.323 1.00 0.00 ATOM 267 C LYS 36 11.563 18.331 9.857 1.00 0.00 ATOM 268 N PRO 37 12.756 18.836 9.561 1.00 0.00 ATOM 269 CA PRO 37 13.984 18.091 9.804 1.00 0.00 ATOM 270 CB PRO 37 15.103 19.087 9.458 1.00 0.00 ATOM 271 CG PRO 37 14.502 20.003 8.428 1.00 0.00 ATOM 272 CD PRO 37 13.018 20.229 9.174 1.00 0.00 ATOM 273 O PRO 37 14.437 16.500 11.555 1.00 0.00 ATOM 274 C PRO 37 14.022 17.623 11.260 1.00 0.00 ATOM 275 N ALA 38 13.581 18.475 12.167 1.00 0.00 ATOM 276 CA ALA 38 13.569 18.169 13.593 1.00 0.00 ATOM 277 CB ALA 38 13.308 19.437 14.393 1.00 0.00 ATOM 278 O ALA 38 12.614 16.517 15.049 1.00 0.00 ATOM 279 C ALA 38 12.558 17.089 13.961 1.00 0.00 ATOM 280 N GLU 39 11.635 16.813 13.045 1.00 0.00 ATOM 281 CA GLU 39 10.627 15.782 13.259 1.00 0.00 ATOM 282 CB GLU 39 9.348 16.114 12.486 1.00 0.00 ATOM 283 CG GLU 39 8.668 17.404 12.921 1.00 0.00 ATOM 284 CD GLU 39 8.271 17.352 14.370 1.00 0.00 ATOM 285 OE1 GLU 39 7.622 16.408 14.755 1.00 0.00 ATOM 286 OE2 GLU 39 8.709 18.195 15.116 1.00 0.00 ATOM 287 O GLU 39 10.482 13.394 13.062 1.00 0.00 ATOM 288 C GLU 39 11.154 14.406 12.863 1.00 0.00 ATOM 289 N ILE 40 12.374 14.374 12.338 1.00 0.00 ATOM 290 CA ILE 40 12.993 13.124 11.913 1.00 0.00 ATOM 291 CB ILE 40 14.358 13.369 11.245 1.00 0.00 ATOM 292 CG1 ILE 40 14.177 14.111 9.918 1.00 0.00 ATOM 293 CG2 ILE 40 15.087 12.053 11.028 1.00 0.00 ATOM 294 CD1 ILE 40 15.469 14.627 9.326 1.00 0.00 ATOM 295 O ILE 40 12.930 11.026 13.110 1.00 0.00 ATOM 296 C ILE 40 13.216 12.232 13.142 1.00 0.00 ATOM 297 N ALA 41 13.725 12.817 14.232 1.00 0.00 ATOM 298 CA ALA 41 13.977 12.022 15.445 1.00 0.00 ATOM 299 CB ALA 41 14.687 12.877 16.484 1.00 0.00 ATOM 300 O ALA 41 12.618 10.319 16.458 1.00 0.00 ATOM 301 C ALA 41 12.665 11.461 15.991 1.00 0.00 ATOM 302 N VAL 42 11.624 12.270 15.937 1.00 0.00 ATOM 303 CA VAL 42 10.300 11.806 16.393 1.00 0.00 ATOM 304 CB VAL 42 9.271 12.950 16.339 1.00 0.00 ATOM 305 CG1 VAL 42 7.873 12.422 16.626 1.00 0.00 ATOM 306 CG2 VAL 42 9.638 14.045 17.330 1.00 0.00 ATOM 307 O VAL 42 9.339 9.632 16.045 1.00 0.00 ATOM 308 C VAL 42 9.833 10.631 15.525 1.00 0.00 ATOM 309 N MET 43 10.023 10.729 14.228 1.00 0.00 ATOM 310 CA MET 43 9.620 9.641 13.339 1.00 0.00 ATOM 311 CB MET 43 9.705 10.122 11.892 1.00 0.00 ATOM 312 CG MET 43 8.690 11.196 11.526 1.00 0.00 ATOM 313 SD MET 43 6.986 10.649 11.751 1.00 0.00 ATOM 314 CE MET 43 6.852 9.414 10.461 1.00 0.00 ATOM 315 O MET 43 10.040 7.283 13.249 1.00 0.00 ATOM 316 C MET 43 10.493 8.400 13.489 1.00 0.00 ATOM 317 N THR 44 11.767 8.615 13.864 1.00 0.00 ATOM 318 CA THR 44 12.672 7.490 14.061 1.00 0.00 ATOM 319 CB THR 44 14.075 7.991 14.451 1.00 0.00 ATOM 320 CG2 THR 44 14.995 6.819 14.756 1.00 0.00 ATOM 321 OG1 THR 44 14.627 8.759 13.374 1.00 0.00 ATOM 322 O THR 44 12.299 5.352 15.102 1.00 0.00 ATOM 323 C THR 44 12.145 6.578 15.156 1.00 0.00 ATOM 324 N ARG 45 11.496 7.178 16.161 1.00 0.00 ATOM 325 CA ARG 45 10.938 6.425 17.275 1.00 0.00 ATOM 326 CB ARG 45 10.430 7.331 18.387 1.00 0.00 ATOM 327 CG ARG 45 11.517 8.015 19.200 1.00 0.00 ATOM 328 CD ARG 45 11.008 8.943 20.243 1.00 0.00 ATOM 329 NE ARG 45 12.046 9.626 20.999 1.00 0.00 ATOM 330 CZ ARG 45 11.816 10.559 21.945 1.00 0.00 ATOM 331 NH1 ARG 45 10.593 10.950 22.226 1.00 0.00 ATOM 332 NH2 ARG 45 12.856 11.087 22.566 1.00 0.00 ATOM 333 O ARG 45 9.803 4.301 17.139 1.00 0.00 ATOM 334 C ARG 45 9.837 5.485 16.780 1.00 0.00 ATOM 335 N GLU 46 8.999 6.003 15.883 1.00 0.00 ATOM 336 CA GLU 46 7.901 5.205 15.336 1.00 0.00 ATOM 337 CB GLU 46 6.973 6.091 14.502 1.00 0.00 ATOM 338 CG GLU 46 6.162 7.091 15.315 1.00 0.00 ATOM 339 CD GLU 46 5.358 7.995 14.422 1.00 0.00 ATOM 340 OE1 GLU 46 5.488 7.886 13.225 1.00 0.00 ATOM 341 OE2 GLU 46 4.531 8.717 14.930 1.00 0.00 ATOM 342 O GLU 46 7.869 2.961 14.511 1.00 0.00 ATOM 343 C GLU 46 8.428 4.066 14.474 1.00 0.00 ATOM 344 N PHE 47 9.480 4.311 13.728 1.00 0.00 ATOM 345 CA PHE 47 10.067 3.248 12.898 1.00 0.00 ATOM 346 CB PHE 47 10.984 3.928 11.813 1.00 0.00 ATOM 347 CG PHE 47 11.534 2.955 10.811 1.00 0.00 ATOM 348 CD1 PHE 47 10.734 2.455 9.801 1.00 0.00 ATOM 349 CD2 PHE 47 12.828 2.472 10.928 1.00 0.00 ATOM 350 CE1 PHE 47 11.242 1.535 8.881 1.00 0.00 ATOM 351 CE2 PHE 47 13.317 1.552 10.030 1.00 0.00 ATOM 352 CZ PHE 47 12.527 1.087 9.007 1.00 0.00 ATOM 353 O PHE 47 10.729 0.977 13.303 1.00 0.00 ATOM 354 C PHE 47 10.772 2.147 13.683 1.00 0.00 ATOM 355 N MET 48 11.438 2.534 14.766 1.00 0.00 ATOM 356 CA MET 48 12.229 1.596 15.555 1.00 0.00 ATOM 357 CB MET 48 13.029 2.345 16.619 1.00 0.00 ATOM 358 CG MET 48 14.172 3.186 16.073 1.00 0.00 ATOM 359 SD MET 48 15.237 3.841 17.373 1.00 0.00 ATOM 360 CE MET 48 14.202 5.141 18.036 1.00 0.00 ATOM 361 O MET 48 11.644 -0.653 16.156 1.00 0.00 ATOM 362 C MET 48 11.343 0.540 16.206 1.00 0.00 ATOM 363 N ARG 49 10.327 1.305 16.810 1.00 0.00 ATOM 364 CA ARG 49 9.256 0.523 17.418 1.00 0.00 ATOM 365 CB ARG 49 8.075 1.725 17.639 1.00 0.00 ATOM 366 CG ARG 49 7.042 1.691 18.769 1.00 0.00 ATOM 367 CD ARG 49 5.981 2.776 18.555 1.00 0.00 ATOM 368 NE ARG 49 6.588 4.099 18.471 1.00 0.00 ATOM 369 CZ ARG 49 6.689 4.958 19.485 1.00 0.00 ATOM 370 NH1 ARG 49 6.207 4.661 20.692 1.00 0.00 ATOM 371 NH2 ARG 49 7.315 6.104 19.295 1.00 0.00 ATOM 372 O ARG 49 8.031 -1.408 16.684 1.00 0.00 ATOM 373 C ARG 49 8.532 -0.326 16.377 1.00 0.00 ATOM 374 N PHE 50 8.447 0.190 15.156 1.00 0.00 ATOM 375 CA PHE 50 7.790 -0.522 14.065 1.00 0.00 ATOM 376 CB PHE 50 7.393 0.041 12.981 1.00 0.00 ATOM 377 CG PHE 50 7.159 -0.915 11.892 1.00 0.00 ATOM 378 CD1 PHE 50 6.086 -1.782 11.923 1.00 0.00 ATOM 379 CD2 PHE 50 8.065 -1.039 10.885 1.00 0.00 ATOM 380 CE1 PHE 50 5.871 -2.681 10.919 1.00 0.00 ATOM 381 CE2 PHE 50 7.845 -1.952 9.891 1.00 0.00 ATOM 382 CZ PHE 50 6.764 -2.798 9.933 1.00 0.00 ATOM 383 O PHE 50 9.517 -2.180 13.898 1.00 0.00 ATOM 384 C PHE 50 8.309 -1.951 13.954 1.00 0.00 ATOM 385 N GLY 51 7.389 -2.908 13.883 1.00 0.00 ATOM 386 CA GLY 51 7.751 -4.314 13.768 1.00 0.00 ATOM 387 O GLY 51 5.633 -5.323 13.262 1.00 0.00 ATOM 388 C GLY 51 6.772 -5.066 12.873 1.00 0.00 ATOM 389 N ILE 52 7.093 -5.454 11.524 1.00 0.00 ATOM 390 CA ILE 52 6.163 -6.079 10.592 1.00 0.00 ATOM 391 CB ILE 52 6.690 -6.029 9.147 1.00 0.00 ATOM 392 CG1 ILE 52 6.721 -4.584 8.640 1.00 0.00 ATOM 393 CG2 ILE 52 5.835 -6.897 8.238 1.00 0.00 ATOM 394 CD1 ILE 52 7.466 -4.410 7.336 1.00 0.00 ATOM 395 O ILE 52 4.805 -8.029 10.862 1.00 0.00 ATOM 396 C ILE 52 5.918 -7.526 11.002 1.00 0.00 ATOM 397 N LEU 53 6.934 -8.197 11.526 1.00 0.00 ATOM 398 CA LEU 53 6.780 -9.578 11.942 1.00 0.00 ATOM 399 CB LEU 53 8.144 -10.132 12.376 1.00 0.00 ATOM 400 CG LEU 53 9.117 -10.439 11.232 1.00 0.00 ATOM 401 CD1 LEU 53 10.486 -10.801 11.795 1.00 0.00 ATOM 402 CD2 LEU 53 8.565 -11.576 10.385 1.00 0.00 ATOM 403 O LEU 53 4.921 -10.482 13.164 1.00 0.00 ATOM 404 C LEU 53 5.795 -9.617 13.105 1.00 0.00 ATOM 405 N GLN 54 5.944 -8.674 14.033 1.00 0.00 ATOM 406 CA GLN 54 5.072 -8.604 15.198 1.00 0.00 ATOM 407 CB GLN 54 5.598 -7.568 16.197 1.00 0.00 ATOM 408 CG GLN 54 6.882 -7.973 16.898 1.00 0.00 ATOM 409 CD GLN 54 7.433 -6.870 17.780 1.00 0.00 ATOM 410 OE1 GLN 54 6.910 -5.752 17.801 1.00 0.00 ATOM 411 NE2 GLN 54 8.499 -7.175 18.512 1.00 0.00 ATOM 412 O GLN 54 2.686 -8.801 15.354 1.00 0.00 ATOM 413 C GLN 54 3.642 -8.245 14.812 1.00 0.00 ATOM 414 N ASP 55 3.503 -7.282 13.908 1.00 0.00 ATOM 415 CA ASP 55 2.191 -6.768 13.532 1.00 0.00 ATOM 416 CB ASP 55 2.263 -5.252 13.338 1.00 0.00 ATOM 417 CG ASP 55 2.645 -4.535 14.617 1.00 0.00 ATOM 418 OD1 ASP 55 1.961 -4.740 15.640 1.00 0.00 ATOM 419 OD2 ASP 55 3.629 -3.763 14.603 1.00 0.00 ATOM 420 O ASP 55 2.527 -7.528 11.281 1.00 0.00 ATOM 421 C ASP 55 1.733 -7.371 12.209 1.00 0.00 ATOM 422 N GLN 56 0.434 -7.632 12.101 1.00 0.00 ATOM 423 CA GLN 56 -0.134 -8.207 10.888 1.00 0.00 ATOM 424 CB GLN 56 -1.146 -9.302 11.237 1.00 0.00 ATOM 425 CG GLN 56 -0.573 -10.437 12.069 1.00 0.00 ATOM 426 CD GLN 56 0.526 -11.188 11.343 1.00 0.00 ATOM 427 OE1 GLN 56 0.340 -11.653 10.215 1.00 0.00 ATOM 428 NE2 GLN 56 1.680 -11.315 11.989 1.00 0.00 ATOM 429 O GLN 56 -1.098 -6.042 10.508 1.00 0.00 ATOM 430 C GLN 56 -0.817 -7.143 10.035 1.00 0.00 ATOM 431 N VAL 57 -1.059 -7.471 8.770 1.00 0.00 ATOM 432 CA VAL 57 -1.608 -6.510 7.821 1.00 0.00 ATOM 433 CB VAL 57 -1.589 -7.064 6.384 1.00 0.00 ATOM 434 CG1 VAL 57 -2.605 -8.188 6.233 1.00 0.00 ATOM 435 CG2 VAL 57 -1.869 -5.956 5.382 1.00 0.00 ATOM 436 O VAL 57 -3.401 -4.954 8.186 1.00 0.00 ATOM 437 C VAL 57 -3.021 -6.115 8.247 1.00 0.00 ATOM 438 N ASP 58 -3.781 -7.087 8.674 1.00 0.00 ATOM 439 CA ASP 58 -5.158 -6.826 9.148 1.00 0.00 ATOM 440 CB ASP 58 -5.928 -8.137 9.325 1.00 0.00 ATOM 441 CG ASP 58 -6.340 -8.805 8.020 1.00 0.00 ATOM 442 OD1 ASP 58 -6.261 -8.167 6.997 1.00 0.00 ATOM 443 OD2 ASP 58 -6.583 -9.987 8.033 1.00 0.00 ATOM 444 O ASP 58 -5.871 -5.079 10.643 1.00 0.00 ATOM 445 C ASP 58 -5.085 -6.005 10.439 1.00 0.00 ATOM 446 N LEU 59 -4.141 -6.348 11.306 1.00 0.00 ATOM 447 CA LEU 59 -3.992 -5.619 12.560 1.00 0.00 ATOM 448 CB LEU 59 -2.928 -6.309 13.423 1.00 0.00 ATOM 449 CG LEU 59 -3.323 -7.686 13.971 1.00 0.00 ATOM 450 CD1 LEU 59 -2.128 -8.343 14.649 1.00 0.00 ATOM 451 CD2 LEU 59 -4.479 -7.532 14.947 1.00 0.00 ATOM 452 O LEU 59 -4.186 -3.254 12.956 1.00 0.00 ATOM 453 C LEU 59 -3.644 -4.157 12.301 1.00 0.00 ATOM 454 N LEU 60 -2.706 -3.928 11.391 1.00 0.00 ATOM 455 CA LEU 60 -2.256 -2.570 11.091 1.00 0.00 ATOM 456 CB LEU 60 -1.001 -2.603 10.198 1.00 0.00 ATOM 457 CG LEU 60 0.278 -3.226 10.825 1.00 0.00 ATOM 458 CD1 LEU 60 1.367 -3.378 9.767 1.00 0.00 ATOM 459 CD2 LEU 60 0.812 -2.396 11.971 1.00 0.00 ATOM 460 O LEU 60 -3.570 -0.578 10.822 1.00 0.00 ATOM 461 C LEU 60 -3.385 -1.747 10.479 1.00 0.00 ATOM 462 N LEU 61 -4.118 -2.353 9.552 1.00 0.00 ATOM 463 CA LEU 61 -5.226 -1.677 8.888 1.00 0.00 ATOM 464 CB LEU 61 -5.834 -2.588 7.812 1.00 0.00 ATOM 465 CG LEU 61 -4.947 -2.829 6.584 1.00 0.00 ATOM 466 CD1 LEU 61 -5.574 -3.886 5.687 1.00 0.00 ATOM 467 CD2 LEU 61 -4.760 -1.522 5.828 1.00 0.00 ATOM 468 O LEU 61 -6.790 -0.129 9.842 1.00 0.00 ATOM 469 C LEU 61 -6.296 -1.255 9.888 1.00 0.00 ATOM 470 N LYS 62 -6.648 -2.165 10.790 1.00 0.00 ATOM 471 CA LYS 62 -7.628 -1.873 11.829 1.00 0.00 ATOM 472 CB LYS 62 -7.935 -3.130 12.645 1.00 0.00 ATOM 473 CG LYS 62 -8.728 -4.191 11.890 1.00 0.00 ATOM 474 CD LYS 62 -8.997 -5.406 12.764 1.00 0.00 ATOM 475 CE LYS 62 -9.764 -6.477 12.004 1.00 0.00 ATOM 476 NZ LYS 62 -10.008 -7.685 12.836 1.00 0.00 ATOM 477 O LYS 62 -7.911 0.110 13.153 1.00 0.00 ATOM 478 C LYS 62 -7.139 -0.759 12.749 1.00 0.00 ATOM 479 N ALA 63 -5.850 -0.791 13.076 1.00 0.00 ATOM 480 CA ALA 63 -5.241 0.253 13.889 1.00 0.00 ATOM 481 CB ALA 63 -3.783 -0.080 14.175 1.00 0.00 ATOM 482 O ALA 63 -5.670 2.615 13.862 1.00 0.00 ATOM 483 C ALA 63 -5.371 1.613 13.212 1.00 0.00 ATOM 484 N SER 64 -5.228 1.627 11.890 1.00 0.00 ATOM 485 CA SER 64 -5.305 2.864 11.123 1.00 0.00 ATOM 486 CB SER 64 -6.730 3.381 11.087 1.00 0.00 ATOM 487 OG SER 64 -7.605 2.471 10.478 1.00 0.00 ATOM 488 O SER 64 -4.678 5.113 11.682 1.00 0.00 ATOM 489 C SER 64 -4.372 3.921 11.703 1.00 0.00 ATOM 490 N ASP 65 -3.231 3.475 12.221 1.00 0.00 ATOM 491 CA ASP 65 -2.269 4.378 12.844 1.00 0.00 ATOM 492 CB ASP 65 -1.544 3.711 13.983 1.00 0.00 ATOM 493 CG ASP 65 -2.457 3.443 15.163 1.00 0.00 ATOM 494 OD1 ASP 65 -3.332 4.287 15.444 1.00 0.00 ATOM 495 OD2 ASP 65 -2.282 2.396 15.820 1.00 0.00 ATOM 496 O ASP 65 -1.101 4.220 10.755 1.00 0.00 ATOM 497 C ASP 65 -1.228 4.817 11.826 1.00 0.00 ATOM 498 N SER 66 -0.410 5.911 12.212 1.00 0.00 ATOM 499 CA SER 66 0.588 6.476 11.309 1.00 0.00 ATOM 500 CB SER 66 1.265 7.651 11.987 1.00 0.00 ATOM 501 OG SER 66 0.367 8.692 12.255 1.00 0.00 ATOM 502 O SER 66 1.946 5.408 9.643 1.00 0.00 ATOM 503 C SER 66 1.627 5.467 10.830 1.00 0.00 ATOM 504 N ILE 67 2.139 4.665 11.758 1.00 0.00 ATOM 505 CA ILE 67 3.123 3.642 11.429 1.00 0.00 ATOM 506 CB ILE 67 3.712 2.995 12.695 1.00 0.00 ATOM 507 CG1 ILE 67 4.559 4.009 13.468 1.00 0.00 ATOM 508 CG2 ILE 67 4.539 1.772 12.332 1.00 0.00 ATOM 509 CD1 ILE 67 4.958 3.544 14.851 1.00 0.00 ATOM 510 O ILE 67 3.149 2.075 9.610 1.00 0.00 ATOM 511 C ILE 67 2.514 2.555 10.550 1.00 0.00 ATOM 512 N GLU 68 1.281 2.169 10.863 1.00 0.00 ATOM 513 CA GLU 68 0.563 1.180 10.067 1.00 0.00 ATOM 514 CB GLU 68 -0.812 0.938 10.771 1.00 0.00 ATOM 515 CG GLU 68 -0.726 0.258 12.127 1.00 0.00 ATOM 516 CD GLU 68 -0.604 1.213 13.303 1.00 0.00 ATOM 517 OE1 GLU 68 -0.311 2.401 13.150 1.00 0.00 ATOM 518 OE2 GLU 68 -0.830 0.730 14.449 1.00 0.00 ATOM 519 O GLU 68 0.600 0.903 7.671 1.00 0.00 ATOM 520 C GLU 68 0.405 1.674 8.623 1.00 0.00 ATOM 521 N ALA 69 0.086 2.946 8.468 1.00 0.00 ATOM 522 CA ALA 69 -0.062 3.510 7.126 1.00 0.00 ATOM 523 CB ALA 69 -0.567 4.943 7.229 1.00 0.00 ATOM 524 O ALA 69 1.259 3.055 5.173 1.00 0.00 ATOM 525 C ALA 69 1.242 3.458 6.337 1.00 0.00 ATOM 526 N SER 70 2.332 3.868 6.977 1.00 0.00 ATOM 527 CA SER 70 3.653 3.799 6.363 1.00 0.00 ATOM 528 CB SER 70 4.660 4.563 7.201 1.00 0.00 ATOM 529 OG SER 70 5.036 3.854 8.349 1.00 0.00 ATOM 530 O SER 70 4.828 2.030 5.242 1.00 0.00 ATOM 531 C SER 70 4.102 2.352 6.181 1.00 0.00 ATOM 532 N GLN 71 3.649 1.480 7.077 1.00 0.00 ATOM 533 CA GLN 71 4.013 0.069 7.024 1.00 0.00 ATOM 534 CB GLN 71 4.416 -0.433 8.413 1.00 0.00 ATOM 535 CG GLN 71 5.494 0.398 9.087 1.00 0.00 ATOM 536 CD GLN 71 6.719 0.577 8.211 1.00 0.00 ATOM 537 OE1 GLN 71 7.262 -0.393 7.672 1.00 0.00 ATOM 538 NE2 GLN 71 7.166 1.820 8.066 1.00 0.00 ATOM 539 O GLN 71 3.029 -1.968 6.219 1.00 0.00 ATOM 540 C GLN 71 2.862 -0.780 6.496 1.00 0.00 ATOM 541 N ALA 72 1.691 -0.165 6.365 1.00 0.00 ATOM 542 CA ALA 72 0.470 -0.900 6.055 1.00 0.00 ATOM 543 CB ALA 72 -0.748 -0.012 6.096 1.00 0.00 ATOM 544 O ALA 72 0.273 -2.666 4.472 1.00 0.00 ATOM 545 C ALA 72 0.542 -1.487 4.650 1.00 0.00 ATOM 546 N VAL 73 0.946 -0.696 3.675 1.00 0.00 ATOM 547 CA VAL 73 1.016 -1.193 2.302 1.00 0.00 ATOM 548 CB VAL 73 1.211 -0.023 1.317 1.00 0.00 ATOM 549 CG1 VAL 73 0.233 1.101 1.626 1.00 0.00 ATOM 550 CG2 VAL 73 2.643 0.487 1.372 1.00 0.00 ATOM 551 O VAL 73 2.117 -3.065 1.281 1.00 0.00 ATOM 552 C VAL 73 2.165 -2.181 2.136 1.00 0.00 ATOM 553 N ALA 74 3.193 -2.037 2.945 1.00 0.00 ATOM 554 CA ALA 74 4.342 -2.933 2.948 1.00 0.00 ATOM 555 CB ALA 74 5.354 -2.491 3.992 1.00 0.00 ATOM 556 O ALA 74 4.305 -5.312 2.637 1.00 0.00 ATOM 557 C ALA 74 3.922 -4.355 3.307 1.00 0.00 ATOM 558 N LEU 75 3.131 -4.482 4.367 1.00 0.00 ATOM 559 CA LEU 75 2.639 -5.785 4.802 1.00 0.00 ATOM 560 CB LEU 75 1.937 -5.657 6.160 1.00 0.00 ATOM 561 CG LEU 75 2.864 -5.693 7.382 1.00 0.00 ATOM 562 CD1 LEU 75 3.759 -4.462 7.394 1.00 0.00 ATOM 563 CD2 LEU 75 2.030 -5.769 8.652 1.00 0.00 ATOM 564 O LEU 75 1.576 -7.483 3.512 1.00 0.00 ATOM 565 C LEU 75 1.644 -6.288 3.771 1.00 0.00 ATOM 566 N ILE 76 0.895 -5.371 3.199 1.00 0.00 ATOM 567 CA ILE 76 -0.058 -5.751 2.152 1.00 0.00 ATOM 568 CB ILE 76 -0.801 -4.581 1.597 1.00 0.00 ATOM 569 CG1 ILE 76 -1.733 -3.965 2.638 1.00 0.00 ATOM 570 CG2 ILE 76 -1.558 -5.004 0.362 1.00 0.00 ATOM 571 CD1 ILE 76 -2.278 -2.614 2.228 1.00 0.00 ATOM 572 O ILE 76 0.325 -7.543 0.601 1.00 0.00 ATOM 573 C ILE 76 0.710 -6.459 1.040 1.00 0.00 ATOM 574 N ALA 77 1.771 -5.819 0.559 1.00 0.00 ATOM 575 CA ALA 77 2.565 -6.366 -0.534 1.00 0.00 ATOM 576 CB ALA 77 3.623 -5.363 -0.973 1.00 0.00 ATOM 577 O ALA 77 3.249 -8.656 -0.913 1.00 0.00 ATOM 578 C ALA 77 3.175 -7.709 -0.112 1.00 0.00 ATOM 579 N ARG 78 3.599 -7.785 1.148 1.00 0.00 ATOM 580 CA ARG 78 4.218 -9.007 1.645 1.00 0.00 ATOM 581 CB ARG 78 5.019 -8.705 2.904 1.00 0.00 ATOM 582 CG ARG 78 5.867 -9.859 3.413 1.00 0.00 ATOM 583 CD ARG 78 6.732 -9.517 4.572 1.00 0.00 ATOM 584 NE ARG 78 7.561 -10.613 5.049 1.00 0.00 ATOM 585 CZ ARG 78 8.385 -10.543 6.113 1.00 0.00 ATOM 586 NH1 ARG 78 8.522 -9.425 6.789 1.00 0.00 ATOM 587 NH2 ARG 78 9.070 -11.623 6.443 1.00 0.00 ATOM 588 O ARG 78 3.609 -11.327 1.575 1.00 0.00 ATOM 589 C ARG 78 3.268 -10.180 1.861 1.00 0.00 ATOM 590 N MET 79 2.079 -9.885 2.377 1.00 0.00 ATOM 591 CA MET 79 1.136 -10.925 2.772 1.00 0.00 ATOM 592 CB MET 79 -0.027 -10.316 3.552 1.00 0.00 ATOM 593 CG MET 79 0.346 -9.783 4.927 1.00 0.00 ATOM 594 SD MET 79 1.006 -11.064 6.012 1.00 0.00 ATOM 595 CE MET 79 -0.452 -12.067 6.278 1.00 0.00 ATOM 596 O MET 79 0.379 -12.929 1.674 1.00 0.00 ATOM 597 C MET 79 0.666 -11.740 1.550 1.00 0.00 ATOM 598 N ASP 80 0.492 -10.864 0.465 1.00 0.00 ATOM 599 CA ASP 80 0.019 -11.516 -0.768 1.00 0.00 ATOM 600 CB ASP 80 -1.400 -11.053 -1.108 1.00 0.00 ATOM 601 CG ASP 80 -2.027 -11.771 -2.296 1.00 0.00 ATOM 602 OD1 ASP 80 -1.399 -11.835 -3.327 1.00 0.00 ATOM 603 OD2 ASP 80 -3.055 -12.382 -2.121 1.00 0.00 ATOM 604 O ASP 80 1.132 -10.022 -2.285 1.00 0.00 ATOM 605 C ASP 80 0.968 -11.184 -1.917 1.00 0.00 ATOM 606 N GLU 81 1.581 -12.216 -2.488 1.00 0.00 ATOM 607 CA GLU 81 2.652 -12.032 -3.459 1.00 0.00 ATOM 608 CB GLU 81 3.317 -13.370 -3.785 1.00 0.00 ATOM 609 CG GLU 81 4.148 -13.952 -2.650 1.00 0.00 ATOM 610 CD GLU 81 4.661 -15.323 -2.996 1.00 0.00 ATOM 611 OE1 GLU 81 4.318 -15.818 -4.042 1.00 0.00 ATOM 612 OE2 GLU 81 5.483 -15.827 -2.269 1.00 0.00 ATOM 613 O GLU 81 2.737 -10.498 -5.310 1.00 0.00 ATOM 614 C GLU 81 2.108 -11.397 -4.741 1.00 0.00 ATOM 615 N GLU 82 0.949 -11.848 -5.186 1.00 0.00 ATOM 616 CA GLU 82 0.364 -11.304 -6.411 1.00 0.00 ATOM 617 CB GLU 82 -0.874 -12.118 -6.795 1.00 0.00 ATOM 618 CG GLU 82 -0.571 -13.510 -7.327 1.00 0.00 ATOM 619 CD GLU 82 -1.833 -14.290 -7.569 1.00 0.00 ATOM 620 OE1 GLU 82 -2.888 -13.786 -7.263 1.00 0.00 ATOM 621 OE2 GLU 82 -1.756 -15.341 -8.161 1.00 0.00 ATOM 622 O GLU 82 0.123 -9.029 -7.137 1.00 0.00 ATOM 623 C GLU 82 -0.018 -9.841 -6.221 1.00 0.00 ATOM 624 N ARG 83 -0.496 -9.509 -5.027 1.00 0.00 ATOM 625 CA ARG 83 -0.903 -8.144 -4.717 1.00 0.00 ATOM 626 CB ARG 83 -1.938 -8.089 -3.604 1.00 0.00 ATOM 627 CG ARG 83 -3.299 -8.663 -3.966 1.00 0.00 ATOM 628 CD ARG 83 -4.285 -8.652 -2.856 1.00 0.00 ATOM 629 NE ARG 83 -5.571 -9.244 -3.186 1.00 0.00 ATOM 630 CZ ARG 83 -6.551 -9.491 -2.294 1.00 0.00 ATOM 631 NH1 ARG 83 -6.384 -9.236 -1.016 1.00 0.00 ATOM 632 NH2 ARG 83 -7.678 -10.021 -2.737 1.00 0.00 ATOM 633 O ARG 83 0.186 -6.057 -4.247 1.00 0.00 ATOM 634 C ARG 83 0.307 -7.273 -4.397 1.00 0.00 ATOM 635 N LYS 84 1.479 -7.896 -4.335 1.00 0.00 ATOM 636 CA LYS 84 2.722 -7.170 -4.102 1.00 0.00 ATOM 637 CB LYS 84 3.877 -8.199 -3.973 1.00 0.00 ATOM 638 CG LYS 84 5.244 -7.573 -3.741 1.00 0.00 ATOM 639 CD LYS 84 6.296 -8.644 -3.478 1.00 0.00 ATOM 640 CE LYS 84 7.705 -8.097 -3.658 1.00 0.00 ATOM 641 NZ LYS 84 7.947 -7.718 -5.081 1.00 0.00 ATOM 642 O LYS 84 3.214 -5.017 -4.969 1.00 0.00 ATOM 643 C LYS 84 2.971 -6.190 -5.227 1.00 0.00 ATOM 644 N LYS 85 2.746 -6.611 -6.479 1.00 0.00 ATOM 645 CA LYS 85 2.959 -5.722 -7.610 1.00 0.00 ATOM 646 CB LYS 85 2.931 -6.546 -8.898 1.00 0.00 ATOM 647 CG LYS 85 3.226 -5.749 -10.163 1.00 0.00 ATOM 648 CD LYS 85 3.297 -6.655 -11.382 1.00 0.00 ATOM 649 CE LYS 85 3.586 -5.858 -12.648 1.00 0.00 ATOM 650 NZ LYS 85 3.651 -6.730 -13.852 1.00 0.00 ATOM 651 O LYS 85 2.277 -3.443 -7.938 1.00 0.00 ATOM 652 C LYS 85 1.931 -4.597 -7.685 1.00 0.00 ATOM 653 N TYR 86 0.667 -4.943 -7.464 1.00 0.00 ATOM 654 CA TYR 86 -0.413 -3.964 -7.496 1.00 0.00 ATOM 655 CB TYR 86 -1.771 -4.660 -7.384 1.00 0.00 ATOM 656 CG TYR 86 -2.138 -5.487 -8.596 1.00 0.00 ATOM 657 CD1 TYR 86 -1.457 -5.334 -9.796 1.00 0.00 ATOM 658 CD2 TYR 86 -3.162 -6.421 -8.537 1.00 0.00 ATOM 659 CE1 TYR 86 -1.788 -6.086 -10.906 1.00 0.00 ATOM 660 CE2 TYR 86 -3.500 -7.179 -9.640 1.00 0.00 ATOM 661 CZ TYR 86 -2.812 -7.008 -10.824 1.00 0.00 ATOM 662 OH TYR 86 -3.145 -7.762 -11.925 1.00 0.00 ATOM 663 O TYR 86 -0.407 -1.736 -6.601 1.00 0.00 ATOM 664 C TYR 86 -0.258 -2.937 -6.379 1.00 0.00 ATOM 665 N VAL 87 0.041 -3.419 -5.176 1.00 0.00 ATOM 666 CA VAL 87 0.217 -2.544 -4.023 1.00 0.00 ATOM 667 CB VAL 87 0.519 -3.349 -2.745 1.00 0.00 ATOM 668 CG1 VAL 87 0.894 -2.413 -1.604 1.00 0.00 ATOM 669 CG2 VAL 87 -0.677 -4.204 -2.357 1.00 0.00 ATOM 670 O VAL 87 1.201 -0.356 -3.953 1.00 0.00 ATOM 671 C VAL 87 1.341 -1.541 -4.259 1.00 0.00 ATOM 672 N ALA 88 2.429 -2.009 -4.860 1.00 0.00 ATOM 673 CA ALA 88 3.576 -1.153 -5.141 1.00 0.00 ATOM 674 CB ALA 88 4.716 -1.972 -5.729 1.00 0.00 ATOM 675 O ALA 88 3.550 1.142 -5.842 1.00 0.00 ATOM 676 C ALA 88 3.185 -0.012 -6.073 1.00 0.00 ATOM 677 N SER 89 2.406 -0.332 -7.100 1.00 0.00 ATOM 678 CA SER 89 1.929 0.672 -8.044 1.00 0.00 ATOM 679 CB SER 89 1.569 0.017 -9.362 1.00 0.00 ATOM 680 OG SER 89 0.473 -0.849 -9.238 1.00 0.00 ATOM 681 O SER 89 0.489 2.586 -7.872 1.00 0.00 ATOM 682 C SER 89 0.735 1.442 -7.490 1.00 0.00 ATOM 683 N TYR 90 -0.005 0.805 -6.588 1.00 0.00 ATOM 684 CA TYR 90 -1.178 1.427 -5.983 1.00 0.00 ATOM 685 CB TYR 90 -2.155 0.121 -5.455 1.00 0.00 ATOM 686 CG TYR 90 -3.654 0.172 -5.659 1.00 0.00 ATOM 687 CD1 TYR 90 -4.272 -0.599 -6.637 1.00 0.00 ATOM 688 CD2 TYR 90 -4.448 1.044 -4.907 1.00 0.00 ATOM 689 CE1 TYR 90 -5.646 -0.509 -6.864 1.00 0.00 ATOM 690 CE2 TYR 90 -5.810 1.143 -5.128 1.00 0.00 ATOM 691 CZ TYR 90 -6.406 0.367 -6.103 1.00 0.00 ATOM 692 OH TYR 90 -7.769 0.448 -6.298 1.00 0.00 ATOM 693 O TYR 90 -1.624 3.318 -4.570 1.00 0.00 ATOM 694 C TYR 90 -0.772 2.582 -5.070 1.00 0.00 ATOM 695 N LEU 91 0.573 2.451 -4.677 1.00 0.00 ATOM 696 CA LEU 91 1.062 3.529 -3.828 1.00 0.00 ATOM 697 CB LEU 91 2.596 3.515 -3.857 1.00 0.00 ATOM 698 CG LEU 91 3.249 2.263 -3.259 1.00 0.00 ATOM 699 CD1 LEU 91 4.754 2.299 -3.490 1.00 0.00 ATOM 700 CD2 LEU 91 2.934 2.186 -1.773 1.00 0.00 ATOM 701 O LEU 91 0.229 5.721 -3.293 1.00 0.00 ATOM 702 C LEU 91 0.499 4.904 -4.179 1.00 0.00 ATOM 703 N GLY 92 0.286 5.133 -5.490 1.00 0.00 ATOM 704 CA GLY 92 -0.288 6.396 -5.931 1.00 0.00 ATOM 705 O GLY 92 -2.102 7.654 -4.990 1.00 0.00 ATOM 706 C GLY 92 -1.713 6.567 -5.416 1.00 0.00 ATOM 707 N VAL 93 -2.486 5.487 -5.458 1.00 0.00 ATOM 708 CA VAL 93 -3.857 5.507 -4.965 1.00 0.00 ATOM 709 CB VAL 93 -4.610 4.217 -5.342 1.00 0.00 ATOM 710 CG1 VAL 93 -5.970 4.176 -4.659 1.00 0.00 ATOM 711 CG2 VAL 93 -4.771 4.113 -6.851 1.00 0.00 ATOM 712 O VAL 93 -4.646 6.557 -2.909 1.00 0.00 ATOM 713 C VAL 93 -3.878 5.711 -3.457 1.00 0.00 ATOM 714 N ILE 94 -3.054 4.920 -2.760 1.00 0.00 ATOM 715 CA ILE 94 -2.986 5.014 -1.295 1.00 0.00 ATOM 716 CB ILE 94 -2.014 3.967 -0.719 1.00 0.00 ATOM 717 CG1 ILE 94 -2.555 2.553 -0.949 1.00 0.00 ATOM 718 CG2 ILE 94 -1.780 4.217 0.762 1.00 0.00 ATOM 719 CD1 ILE 94 -1.552 1.461 -0.655 1.00 0.00 ATOM 720 O ILE 94 -3.023 6.871 0.226 1.00 0.00 ATOM 721 C ILE 94 -2.562 6.396 -0.813 1.00 0.00 ATOM 722 N MET 95 -1.682 7.040 -1.573 1.00 0.00 ATOM 723 CA MET 95 -1.229 8.387 -1.250 1.00 0.00 ATOM 724 CB MET 95 -0.179 8.853 -2.254 1.00 0.00 ATOM 725 CG MET 95 1.172 8.144 -2.121 1.00 0.00 ATOM 726 SD MET 95 1.845 8.031 -0.484 1.00 0.00 ATOM 727 CE MET 95 2.051 9.783 -0.155 1.00 0.00 ATOM 728 O MET 95 -2.243 10.512 -0.782 1.00 0.00 ATOM 729 C MET 95 -2.312 9.450 -1.400 1.00 0.00 ATOM 730 N ALA 96 -3.313 9.157 -2.224 1.00 0.00 ATOM 731 CA ALA 96 -4.405 10.091 -2.465 1.00 0.00 ATOM 732 CB ALA 96 -5.097 9.737 -3.815 1.00 0.00 ATOM 733 O ALA 96 -5.998 10.922 -0.873 1.00 0.00 ATOM 734 C ALA 96 -5.402 9.943 -1.320 1.00 0.00 ATOM 735 N SER 97 -5.629 8.628 -0.927 1.00 0.00 ATOM 736 CA SER 97 -6.588 8.308 0.122 1.00 0.00 ATOM 737 CB SER 97 -6.585 6.816 0.394 1.00 0.00 ATOM 738 OG SER 97 -7.064 6.082 -0.700 1.00 0.00 ATOM 739 O SER 97 -7.174 9.687 1.999 1.00 0.00 ATOM 740 C SER 97 -6.283 9.086 1.398 1.00 0.00 ATOM 741 N ASP 98 -5.013 9.097 1.790 1.00 0.00 ATOM 742 CA ASP 98 -4.605 9.711 3.047 1.00 0.00 ATOM 743 CB ASP 98 -4.280 8.635 4.085 1.00 0.00 ATOM 744 CG ASP 98 -3.117 7.726 3.706 1.00 0.00 ATOM 745 OD1 ASP 98 -2.505 7.970 2.694 1.00 0.00 ATOM 746 OD2 ASP 98 -2.752 6.897 4.505 1.00 0.00 ATOM 747 O ASP 98 -2.924 11.250 3.799 1.00 0.00 ATOM 748 C ASP 98 -3.403 10.629 2.851 1.00 0.00 ATOM 749 N GLY 99 -2.922 10.710 1.615 1.00 0.00 ATOM 750 CA GLY 99 -1.806 11.588 1.283 1.00 0.00 ATOM 751 O GLY 99 -3.414 13.366 1.233 1.00 0.00 ATOM 752 C GLY 99 -2.221 13.034 1.207 1.00 0.00 ATOM 753 N ASP 100 -1.243 13.957 1.162 1.00 0.00 ATOM 754 CA ASP 100 -1.543 15.380 1.139 1.00 0.00 ATOM 755 CB ASP 100 -1.396 15.974 2.543 1.00 0.00 ATOM 756 CG ASP 100 -2.448 15.502 3.538 1.00 0.00 ATOM 757 OD1 ASP 100 -3.592 15.855 3.376 1.00 0.00 ATOM 758 OD2 ASP 100 -2.131 14.672 4.357 1.00 0.00 ATOM 759 O ASP 100 0.509 15.686 -0.069 1.00 0.00 ATOM 760 C ASP 100 -0.624 16.108 0.165 1.00 0.00 ATOM 761 N ILE 101 -1.119 17.205 -0.401 1.00 0.00 ATOM 762 CA ILE 101 -0.334 18.007 -1.330 1.00 0.00 ATOM 763 CB ILE 101 -1.205 18.562 -2.472 1.00 0.00 ATOM 764 CG1 ILE 101 -1.779 17.418 -3.311 1.00 0.00 ATOM 765 CG2 ILE 101 -0.396 19.512 -3.344 1.00 0.00 ATOM 766 CD1 ILE 101 -2.861 17.849 -4.275 1.00 0.00 ATOM 767 O ILE 101 -0.176 19.704 0.359 1.00 0.00 ATOM 768 C ILE 101 0.351 19.167 -0.615 1.00 0.00 ATOM 769 N ASP 102 1.536 19.607 -1.209 1.00 0.00 ATOM 770 CA ASP 102 2.269 20.743 -0.662 1.00 0.00 ATOM 771 CB ASP 102 3.104 20.377 0.554 1.00 0.00 ATOM 772 CG ASP 102 4.304 19.491 0.249 1.00 0.00 ATOM 773 OD1 ASP 102 4.715 19.371 -0.924 1.00 0.00 ATOM 774 OD2 ASP 102 4.857 18.923 1.218 1.00 0.00 ATOM 775 O ASP 102 3.085 21.030 -2.901 1.00 0.00 ATOM 776 C ASP 102 3.078 21.449 -1.743 1.00 0.00 ATOM 777 N ASP 103 3.761 22.523 -1.358 1.00 0.00 ATOM 778 CA ASP 103 4.510 23.336 -2.308 1.00 0.00 ATOM 779 CB ASP 103 5.008 24.620 -1.641 1.00 0.00 ATOM 780 CG ASP 103 3.921 25.652 -1.372 1.00 0.00 ATOM 781 OD1 ASP 103 2.842 25.500 -1.894 1.00 0.00 ATOM 782 OD2 ASP 103 4.124 26.493 -0.529 1.00 0.00 ATOM 783 O ASP 103 6.124 22.827 -4.010 1.00 0.00 ATOM 784 C ASP 103 5.696 22.572 -2.885 1.00 0.00 ATOM 785 N ASN 104 6.223 21.633 -2.106 1.00 0.00 ATOM 786 CA ASN 104 7.357 20.825 -2.540 1.00 0.00 ATOM 787 CB ASN 104 8.340 20.581 -1.409 1.00 0.00 ATOM 788 CG ASN 104 9.115 21.807 -1.008 1.00 0.00 ATOM 789 ND2 ASN 104 9.532 21.831 0.233 1.00 0.00 ATOM 790 OD1 ASN 104 9.396 22.685 -1.831 1.00 0.00 ATOM 791 O ASN 104 7.396 18.435 -2.767 1.00 0.00 ATOM 792 C ASN 104 6.881 19.496 -3.118 1.00 0.00 ATOM 793 N GLU 105 5.542 19.522 -3.550 1.00 0.00 ATOM 794 CA GLU 105 4.968 18.270 -4.024 1.00 0.00 ATOM 795 CB GLU 105 3.701 18.535 -4.840 1.00 0.00 ATOM 796 CG GLU 105 3.947 19.224 -6.176 1.00 0.00 ATOM 797 CD GLU 105 4.078 20.713 -6.006 1.00 0.00 ATOM 798 OE1 GLU 105 4.101 21.165 -4.887 1.00 0.00 ATOM 799 OE2 GLU 105 4.269 21.388 -6.990 1.00 0.00 ATOM 800 O GLU 105 5.842 16.271 -5.029 1.00 0.00 ATOM 801 C GLU 105 5.982 17.481 -4.845 1.00 0.00 ATOM 802 N LEU 106 7.009 18.171 -5.330 1.00 0.00 ATOM 803 CA LEU 106 8.042 17.540 -6.144 1.00 0.00 ATOM 804 CB LEU 106 8.998 18.602 -6.702 1.00 0.00 ATOM 805 CG LEU 106 8.390 19.538 -7.755 1.00 0.00 ATOM 806 CD1 LEU 106 9.372 20.650 -8.093 1.00 0.00 ATOM 807 CD2 LEU 106 8.032 18.739 -9.000 1.00 0.00 ATOM 808 O LEU 106 9.157 15.437 -5.853 1.00 0.00 ATOM 809 C LEU 106 8.828 16.506 -5.343 1.00 0.00 ATOM 810 N ALA 107 9.133 16.823 -4.095 1.00 0.00 ATOM 811 CA ALA 107 9.869 15.902 -3.238 1.00 0.00 ATOM 812 CB ALA 107 10.147 16.555 -1.890 1.00 0.00 ATOM 813 O ALA 107 9.604 13.527 -3.046 1.00 0.00 ATOM 814 C ALA 107 9.061 14.629 -3.009 1.00 0.00 ATOM 815 N LEU 108 7.764 14.787 -2.771 1.00 0.00 ATOM 816 CA LEU 108 6.916 13.622 -2.542 1.00 0.00 ATOM 817 CB LEU 108 5.503 14.088 -2.151 1.00 0.00 ATOM 818 CG LEU 108 4.483 12.945 -2.077 1.00 0.00 ATOM 819 CD1 LEU 108 4.875 11.985 -0.954 1.00 0.00 ATOM 820 CD2 LEU 108 3.088 13.506 -1.841 1.00 0.00 ATOM 821 O LEU 108 6.858 11.542 -3.737 1.00 0.00 ATOM 822 C LEU 108 6.811 12.768 -3.801 1.00 0.00 ATOM 823 N TRP 109 6.655 13.413 -4.946 1.00 0.00 ATOM 824 CA TRP 109 6.573 12.695 -6.214 1.00 0.00 ATOM 825 CB TRP 109 6.322 13.682 -7.357 1.00 0.00 ATOM 826 CG TRP 109 5.037 14.439 -7.222 1.00 0.00 ATOM 827 CD1 TRP 109 4.034 14.192 -6.333 1.00 0.00 ATOM 828 CD2 TRP 109 4.617 15.568 -7.997 1.00 0.00 ATOM 829 CE2 TRP 109 3.350 15.952 -7.524 1.00 0.00 ATOM 830 CE3 TRP 109 5.193 16.293 -9.048 1.00 0.00 ATOM 831 NE1 TRP 109 3.014 15.094 -6.507 1.00 0.00 ATOM 832 CZ2 TRP 109 2.648 17.021 -8.060 1.00 0.00 ATOM 833 CZ3 TRP 109 4.491 17.365 -9.585 1.00 0.00 ATOM 834 CH2 TRP 109 3.254 17.719 -9.104 1.00 0.00 ATOM 835 O TRP 109 7.793 10.744 -6.900 1.00 0.00 ATOM 836 C TRP 109 7.847 11.904 -6.493 1.00 0.00 ATOM 837 N THR 110 8.992 12.527 -6.236 1.00 0.00 ATOM 838 CA THR 110 10.282 11.892 -6.479 1.00 0.00 ATOM 839 CB THR 110 11.436 12.859 -6.227 1.00 0.00 ATOM 840 CG2 THR 110 12.773 12.191 -6.532 1.00 0.00 ATOM 841 OG1 THR 110 11.278 14.004 -7.074 1.00 0.00 ATOM 842 O THR 110 10.950 9.631 -6.024 1.00 0.00 ATOM 843 C THR 110 10.472 10.674 -5.580 1.00 0.00 ATOM 844 N LEU 111 10.096 10.816 -4.313 1.00 0.00 ATOM 845 CA LEU 111 10.190 9.718 -3.358 1.00 0.00 ATOM 846 CB LEU 111 9.774 10.193 -1.960 1.00 0.00 ATOM 847 CG LEU 111 10.652 11.300 -1.359 1.00 0.00 ATOM 848 CD1 LEU 111 10.032 11.813 -0.067 1.00 0.00 ATOM 849 CD2 LEU 111 12.051 10.760 -1.110 1.00 0.00 ATOM 850 O LEU 111 9.749 7.382 -3.766 1.00 0.00 ATOM 851 C LEU 111 9.312 8.535 -3.792 1.00 0.00 ATOM 852 N ILE 112 8.068 8.822 -4.210 1.00 0.00 ATOM 853 CA ILE 112 7.148 7.775 -4.648 1.00 0.00 ATOM 854 CB ILE 112 5.762 8.458 -4.959 1.00 0.00 ATOM 855 CG1 ILE 112 5.156 8.972 -3.644 1.00 0.00 ATOM 856 CG2 ILE 112 4.830 7.477 -5.665 1.00 0.00 ATOM 857 CD1 ILE 112 3.905 9.841 -3.865 1.00 0.00 ATOM 858 O ILE 112 7.676 5.805 -5.916 1.00 0.00 ATOM 859 C ILE 112 7.709 7.043 -5.884 1.00 0.00 ATOM 860 N SER 113 8.233 7.804 -6.830 1.00 0.00 ATOM 861 CA SER 113 8.808 7.185 -8.029 1.00 0.00 ATOM 862 CB SER 113 9.337 8.299 -8.932 1.00 0.00 ATOM 863 OG SER 113 10.133 7.819 -9.997 1.00 0.00 ATOM 864 O SER 113 9.952 5.083 -8.281 1.00 0.00 ATOM 865 C SER 113 9.910 6.178 -7.711 1.00 0.00 ATOM 866 N THR 114 10.786 6.570 -6.785 1.00 0.00 ATOM 867 CA THR 114 11.937 5.740 -6.381 1.00 0.00 ATOM 868 CB THR 114 12.906 6.547 -5.543 1.00 0.00 ATOM 869 CG2 THR 114 14.124 5.705 -5.150 1.00 0.00 ATOM 870 OG1 THR 114 13.465 7.583 -6.360 1.00 0.00 ATOM 871 O THR 114 11.842 3.390 -5.900 1.00 0.00 ATOM 872 C THR 114 11.457 4.528 -5.607 1.00 0.00 ATOM 873 N LEU 115 10.553 4.739 -4.673 1.00 0.00 ATOM 874 CA LEU 115 10.069 3.641 -3.849 1.00 0.00 ATOM 875 CB LEU 115 9.251 4.215 -2.653 1.00 0.00 ATOM 876 CG LEU 115 8.648 3.152 -1.711 1.00 0.00 ATOM 877 CD1 LEU 115 9.739 2.279 -1.101 1.00 0.00 ATOM 878 CD2 LEU 115 7.833 3.845 -0.629 1.00 0.00 ATOM 879 O LEU 115 9.388 1.399 -4.423 1.00 0.00 ATOM 880 C LEU 115 9.266 2.604 -4.651 1.00 0.00 ATOM 881 N CYS 116 8.444 3.026 -5.541 1.00 0.00 ATOM 882 CA CYS 116 7.617 2.125 -6.324 1.00 0.00 ATOM 883 CB CYS 116 6.255 2.779 -6.529 1.00 0.00 ATOM 884 SG CYS 116 6.218 4.243 -7.592 1.00 0.00 ATOM 885 O CYS 116 7.658 0.934 -8.400 1.00 0.00 ATOM 886 C CYS 116 8.214 1.751 -7.670 1.00 0.00 ATOM 887 N GLY 117 9.397 2.346 -7.937 1.00 0.00 ATOM 888 CA GLY 117 10.067 2.073 -9.197 1.00 0.00 ATOM 889 O GLY 117 9.296 1.663 -11.432 1.00 0.00 ATOM 890 C GLY 117 9.230 2.373 -10.424 1.00 0.00 ATOM 891 N LEU 118 8.462 3.435 -10.337 1.00 0.00 ATOM 892 CA LEU 118 7.596 3.840 -11.433 1.00 0.00 ATOM 893 CB LEU 118 6.169 4.061 -10.927 1.00 0.00 ATOM 894 CG LEU 118 5.318 2.862 -10.534 1.00 0.00 ATOM 895 CD1 LEU 118 3.974 3.363 -9.985 1.00 0.00 ATOM 896 CD2 LEU 118 5.115 1.914 -11.703 1.00 0.00 ATOM 897 O LEU 118 8.653 5.976 -11.427 1.00 0.00 ATOM 898 C LEU 118 8.088 5.114 -12.102 1.00 0.00 ATOM 899 N PRO 119 7.854 5.279 -13.396 1.00 0.00 ATOM 900 CA PRO 119 8.283 6.524 -14.039 1.00 0.00 ATOM 901 CB PRO 119 7.938 6.286 -15.512 1.00 0.00 ATOM 902 CG PRO 119 6.853 5.258 -15.478 1.00 0.00 ATOM 903 CD PRO 119 7.190 4.353 -14.314 1.00 0.00 ATOM 904 O PRO 119 6.387 7.443 -12.966 1.00 0.00 ATOM 905 C PRO 119 7.472 7.683 -13.484 1.00 0.00 ATOM 906 N THR 120 7.962 8.910 -13.612 1.00 0.00 ATOM 907 CA THR 120 7.286 10.060 -13.017 1.00 0.00 ATOM 908 CB THR 120 8.217 11.316 -13.305 1.00 0.00 ATOM 909 CG2 THR 120 9.511 11.204 -12.534 1.00 0.00 ATOM 910 OG1 THR 120 8.561 11.424 -14.697 1.00 0.00 ATOM 911 O THR 120 5.036 10.823 -12.845 1.00 0.00 ATOM 912 C THR 120 5.895 10.306 -13.577 1.00 0.00 ATOM 913 N MET 121 5.618 9.956 -14.824 1.00 0.00 ATOM 914 CA MET 121 4.295 10.200 -15.386 1.00 0.00 ATOM 915 CB MET 121 4.228 9.861 -16.861 1.00 0.00 ATOM 916 CG MET 121 5.072 10.812 -17.683 1.00 0.00 ATOM 917 SD MET 121 5.063 10.443 -19.420 1.00 0.00 ATOM 918 CE MET 121 3.388 10.900 -19.870 1.00 0.00 ATOM 919 O MET 121 2.144 9.926 -14.368 1.00 0.00 ATOM 920 C MET 121 3.244 9.430 -14.597 1.00 0.00 ATOM 921 N THR 122 3.592 8.217 -14.177 1.00 0.00 ATOM 922 CA THR 122 2.674 7.388 -13.409 1.00 0.00 ATOM 923 CB THR 122 3.179 5.961 -13.215 1.00 0.00 ATOM 924 CG2 THR 122 2.217 5.186 -12.344 1.00 0.00 ATOM 925 OG1 THR 122 3.281 5.335 -14.493 1.00 0.00 ATOM 926 O THR 122 1.225 8.127 -11.628 1.00 0.00 ATOM 927 C THR 122 2.375 8.069 -12.062 1.00 0.00 ATOM 928 N VAL 123 3.427 8.487 -11.390 1.00 0.00 ATOM 929 CA VAL 123 3.242 9.148 -10.105 1.00 0.00 ATOM 930 CB VAL 123 4.548 9.448 -9.461 1.00 0.00 ATOM 931 CG1 VAL 123 4.359 10.182 -8.089 1.00 0.00 ATOM 932 CG2 VAL 123 5.221 8.072 -9.193 1.00 0.00 ATOM 933 O VAL 123 1.556 10.773 -9.490 1.00 0.00 ATOM 934 C VAL 123 2.426 10.419 -10.279 1.00 0.00 ATOM 935 N MET 124 2.686 11.050 -11.395 1.00 0.00 ATOM 936 CA MET 124 1.940 12.276 -11.715 1.00 0.00 ATOM 937 CB MET 124 2.525 12.842 -12.986 1.00 0.00 ATOM 938 CG MET 124 1.805 14.080 -13.487 1.00 0.00 ATOM 939 SD MET 124 2.337 14.513 -15.186 1.00 0.00 ATOM 940 CE MET 124 1.365 13.244 -16.041 1.00 0.00 ATOM 941 O MET 124 -0.417 12.651 -11.457 1.00 0.00 ATOM 942 C MET 124 0.465 11.929 -11.922 1.00 0.00 ATOM 943 N GLU 125 0.200 10.827 -12.594 1.00 0.00 ATOM 944 CA GLU 125 -1.183 10.411 -12.813 1.00 0.00 ATOM 945 CB GLU 125 -1.214 9.169 -13.691 1.00 0.00 ATOM 946 CG GLU 125 -0.844 9.503 -15.140 1.00 0.00 ATOM 947 CD GLU 125 -0.477 8.289 -15.970 1.00 0.00 ATOM 948 OE1 GLU 125 -0.772 7.155 -15.540 1.00 0.00 ATOM 949 OE2 GLU 125 0.106 8.478 -17.061 1.00 0.00 ATOM 950 O GLU 125 -3.040 10.624 -11.299 1.00 0.00 ATOM 951 C GLU 125 -1.898 10.195 -11.482 1.00 0.00 ATOM 952 N ALA 126 -1.250 9.475 -10.569 1.00 0.00 ATOM 953 CA ALA 126 -1.852 9.197 -9.270 1.00 0.00 ATOM 954 CB ALA 126 -0.961 8.234 -8.473 1.00 0.00 ATOM 955 O ALA 126 -3.114 10.642 -7.831 1.00 0.00 ATOM 956 C ALA 126 -2.091 10.492 -8.498 1.00 0.00 ATOM 957 N ILE 127 -1.136 11.418 -8.565 1.00 0.00 ATOM 958 CA ILE 127 -1.270 12.692 -7.862 1.00 0.00 ATOM 959 CB ILE 127 0.110 13.426 -7.890 1.00 0.00 ATOM 960 CG1 ILE 127 1.244 12.626 -7.237 1.00 0.00 ATOM 961 CG2 ILE 127 -0.057 14.815 -7.284 1.00 0.00 ATOM 962 CD1 ILE 127 1.053 12.382 -5.759 1.00 0.00 ATOM 963 O ILE 127 -3.066 14.280 -7.680 1.00 0.00 ATOM 964 C ILE 127 -2.428 13.521 -8.409 1.00 0.00 ATOM 965 N ASN 128 -2.704 13.368 -9.698 1.00 0.00 ATOM 966 CA ASN 128 -3.794 14.097 -10.332 1.00 0.00 ATOM 967 CB ASN 128 -3.930 13.764 -11.760 1.00 0.00 ATOM 968 CG ASN 128 -5.023 14.209 -12.680 1.00 0.00 ATOM 969 ND2 ASN 128 -4.769 15.343 -13.354 1.00 0.00 ATOM 970 OD1 ASN 128 -6.109 13.628 -12.907 1.00 0.00 ATOM 971 O ASN 128 -5.870 14.692 -9.269 1.00 0.00 ATOM 972 C ASN 128 -5.095 13.791 -9.592 1.00 0.00 ATOM 973 N ASN 129 -5.320 12.507 -9.322 1.00 0.00 ATOM 974 CA ASN 129 -6.517 12.062 -8.617 1.00 0.00 ATOM 975 CB ASN 129 -6.638 10.605 -8.427 1.00 0.00 ATOM 976 CG ASN 129 -8.033 10.197 -7.984 1.00 0.00 ATOM 977 ND2 ASN 129 -8.114 9.268 -7.036 1.00 0.00 ATOM 978 OD1 ASN 129 -9.029 10.701 -8.503 1.00 0.00 ATOM 979 O ASN 129 -7.399 13.204 -6.645 1.00 0.00 ATOM 980 C ASN 129 -6.454 12.580 -7.183 1.00 0.00 ATOM 981 N MET 130 -5.343 12.433 -6.517 1.00 0.00 ATOM 982 CA MET 130 -5.294 12.942 -5.131 1.00 0.00 ATOM 983 CB MET 130 -3.929 12.542 -4.568 1.00 0.00 ATOM 984 CG MET 130 -3.686 13.051 -3.159 1.00 0.00 ATOM 985 SD MET 130 -1.932 12.837 -2.671 1.00 0.00 ATOM 986 CE MET 130 -1.279 14.244 -3.608 1.00 0.00 ATOM 987 O MET 130 -6.082 15.012 -4.214 1.00 0.00 ATOM 988 C MET 130 -5.442 14.457 -5.110 1.00 0.00 ATOM 989 N LYS 131 -4.859 15.129 -6.093 1.00 0.00 ATOM 990 CA LYS 131 -4.948 16.568 -6.200 1.00 0.00 ATOM 991 CB LYS 131 -4.122 17.040 -7.449 1.00 0.00 ATOM 992 CG LYS 131 -3.699 18.498 -7.414 1.00 0.00 ATOM 993 CD LYS 131 -3.120 18.938 -8.746 1.00 0.00 ATOM 994 CE LYS 131 -2.958 20.450 -8.804 1.00 0.00 ATOM 995 NZ LYS 131 -2.267 20.887 -10.054 1.00 0.00 ATOM 996 O LYS 131 -6.720 18.067 -5.544 1.00 0.00 ATOM 997 C LYS 131 -6.413 17.055 -6.181 1.00 0.00 ATOM 998 N ASN 132 -7.305 16.313 -6.844 1.00 0.00 ATOM 999 CA ASN 132 -8.700 16.740 -6.964 1.00 0.00 ATOM 1000 CB ASN 132 -9.196 16.624 -8.388 1.00 0.00 ATOM 1001 CG ASN 132 -8.451 17.557 -9.275 1.00 0.00 ATOM 1002 ND2 ASN 132 -7.906 17.038 -10.383 1.00 0.00 ATOM 1003 OD1 ASN 132 -8.300 18.752 -8.949 1.00 0.00 ATOM 1004 O ASN 132 -10.787 16.360 -5.870 1.00 0.00 ATOM 1005 C ASN 132 -9.581 16.084 -5.931 1.00 0.00 ATOM 1006 N LEU 133 -8.971 15.293 -5.038 1.00 0.00 ATOM 1007 CA LEU 133 -9.684 14.689 -3.957 1.00 0.00 ATOM 1008 CB LEU 133 -8.907 13.486 -3.374 1.00 0.00 ATOM 1009 CG LEU 133 -8.571 12.347 -4.354 1.00 0.00 ATOM 1010 CD1 LEU 133 -7.658 11.329 -3.708 1.00 0.00 ATOM 1011 CD2 LEU 133 -9.837 11.675 -4.876 1.00 0.00 ATOM 1012 O LEU 133 -9.466 16.765 -2.701 1.00 0.00 ATOM 1013 C LEU 133 -10.118 15.737 -2.906 1.00 0.00 TER END