PFRMAT TS TARGET T0285 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 We did not do hand manipulation for T0285, but just tried to find METHOD possible templates. Because T0285 is an ORFan, we had no evolutionary METHOD signal to do decent jobs of secondary structure prediction, METHOD residue-residue contact prediction, or even HMM building for METHOD fold-recognition. Our cost function is not sophisticated enough or METHOD tuned enough to do this sort of real ab-initio prediction, so we were METHOD flailing around. METHOD METHOD Model 1 is try16-opt2, based on 2cyeA. METHOD METHOD METHOD Model 2 is try1-opt2, the fully automatic run, which selected 1f5mA as METHOD its basis. METHOD METHOD Model 3 is try6-opt2, the SAM_T06_server model polished to improve scoring. METHOD METHOD Model 4 is try7-opt2, which selected 1p0zA as its basis. METHOD METHOD Model 5 is try19-opt2, whose history was lost when a file was METHOD accidentally overwritten. METHOD METHOD We had considered submitting a polished version of the ROBETTA_TS5 METHOD model, which scored well with our cost function, but decided to avoid METHOD being a meta-server as much as possible. METHOD METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0285 model 5 Mon Jun 26 07:55:38 2006 MODEL 5 PARENT N/A REMARK 7 REMARK 7 ALLPARENTS 1f5m_A 1p0z_A 1sko_A 1j3w_A 1vet_A 1acf 1stz_A REMARK 7 ALLPARENTS 1mc0_A 1z54_A 1e7k_A 1s28_A 1dbf_A 1dyt_A 1xbi_A REMARK 7 ALLPARENTS 1v8f_A 2cye_A 1tu1_A 1jyh_A 1fjr_A 1iq3_A 1h1h_A REMARK 7 ALLPARENTS 1quq_B 2fm8_A 1xs0_A ATOM 1 N ALA 1 -11.092 7.390 -5.564 1.00 0.00 ATOM 2 CA ALA 1 -11.232 6.242 -4.618 1.00 0.00 ATOM 3 CB ALA 1 -9.960 5.399 -4.610 1.00 0.00 ATOM 4 O ALA 1 -12.545 6.213 -2.606 1.00 0.00 ATOM 5 C ALA 1 -11.588 6.711 -3.208 1.00 0.00 ATOM 6 N TYR 2 -10.799 7.656 -2.688 1.00 0.00 ATOM 7 CA TYR 2 -11.064 8.214 -1.368 1.00 0.00 ATOM 8 CB TYR 2 -9.911 9.132 -0.999 1.00 0.00 ATOM 9 CG TYR 2 -8.853 8.327 -0.264 1.00 0.00 ATOM 10 CD1 TYR 2 -7.822 7.676 -0.920 1.00 0.00 ATOM 11 CD2 TYR 2 -8.898 8.221 1.123 1.00 0.00 ATOM 12 CE1 TYR 2 -6.872 6.946 -0.220 1.00 0.00 ATOM 13 CE2 TYR 2 -7.955 7.498 1.829 1.00 0.00 ATOM 14 CZ TYR 2 -6.938 6.859 1.155 1.00 0.00 ATOM 15 OH TYR 2 -6.006 6.140 1.874 1.00 0.00 ATOM 16 O TYR 2 -12.298 9.967 -2.424 1.00 0.00 ATOM 17 C TYR 2 -12.205 9.217 -1.458 1.00 0.00 ATOM 18 N LEU 3 -13.052 9.244 -0.436 1.00 0.00 ATOM 19 CA LEU 3 -14.193 10.156 -0.426 1.00 0.00 ATOM 20 CB LEU 3 -15.499 9.383 -0.605 1.00 0.00 ATOM 21 CG LEU 3 -15.655 8.611 -1.918 1.00 0.00 ATOM 22 CD1 LEU 3 -16.873 7.700 -1.866 1.00 0.00 ATOM 23 CD2 LEU 3 -15.827 9.567 -3.087 1.00 0.00 ATOM 24 O LEU 3 -15.197 10.706 1.692 1.00 0.00 ATOM 25 C LEU 3 -14.290 10.929 0.888 1.00 0.00 ATOM 26 N PRO 4 -13.334 11.835 1.129 1.00 0.00 ATOM 27 CA PRO 4 -13.337 12.626 2.361 1.00 0.00 ATOM 28 CB PRO 4 -12.141 13.567 2.198 1.00 0.00 ATOM 29 CG PRO 4 -11.215 12.839 1.283 1.00 0.00 ATOM 30 CD PRO 4 -12.088 12.120 0.293 1.00 0.00 ATOM 31 O PRO 4 -14.971 13.726 3.731 1.00 0.00 ATOM 32 C PRO 4 -14.613 13.441 2.589 1.00 0.00 ATOM 33 N ASP 5 -15.286 13.841 1.531 1.00 0.00 ATOM 34 CA ASP 5 -16.517 14.641 1.619 1.00 0.00 ATOM 35 CB ASP 5 -16.200 16.130 1.458 1.00 0.00 ATOM 36 CG ASP 5 -15.636 16.461 0.090 1.00 0.00 ATOM 37 OD1 ASP 5 -15.650 15.575 -0.789 1.00 0.00 ATOM 38 OD2 ASP 5 -15.181 17.608 -0.101 1.00 0.00 ATOM 39 O ASP 5 -17.159 13.168 -0.194 1.00 0.00 ATOM 40 C ASP 5 -17.436 14.156 0.481 1.00 0.00 ATOM 41 N ASP 6 -18.558 14.820 0.332 1.00 0.00 ATOM 42 CA ASP 6 -19.519 14.422 -0.697 1.00 0.00 ATOM 43 CB ASP 6 -20.953 14.608 -0.195 1.00 0.00 ATOM 44 CG ASP 6 -21.264 16.049 0.160 1.00 0.00 ATOM 45 OD1 ASP 6 -20.347 16.890 0.083 1.00 0.00 ATOM 46 OD2 ASP 6 -22.427 16.335 0.514 1.00 0.00 ATOM 47 O ASP 6 -20.302 15.291 -2.766 1.00 0.00 ATOM 48 C ASP 6 -19.368 15.218 -1.964 1.00 0.00 ATOM 49 N SER 7 -18.119 15.858 -2.195 1.00 0.00 ATOM 50 CA SER 7 -17.902 16.741 -3.334 1.00 0.00 ATOM 51 CB SER 7 -16.736 17.684 -3.028 1.00 0.00 ATOM 52 OG SER 7 -16.440 18.505 -4.145 1.00 0.00 ATOM 53 O SER 7 -16.814 15.004 -4.595 1.00 0.00 ATOM 54 C SER 7 -17.575 15.981 -4.608 1.00 0.00 ATOM 55 N PRO 8 -18.077 16.437 -5.759 1.00 0.00 ATOM 56 CA PRO 8 -17.749 15.717 -6.984 1.00 0.00 ATOM 57 CB PRO 8 -18.788 16.246 -8.001 1.00 0.00 ATOM 58 CG PRO 8 -19.132 17.658 -7.494 1.00 0.00 ATOM 59 CD PRO 8 -19.150 17.434 -5.949 1.00 0.00 ATOM 60 O PRO 8 -15.798 14.936 -8.084 1.00 0.00 ATOM 61 C PRO 8 -16.308 15.873 -7.449 1.00 0.00 ATOM 62 N ALA 9 -15.607 16.938 -7.170 1.00 0.00 ATOM 63 CA ALA 9 -14.270 17.107 -7.737 1.00 0.00 ATOM 64 CB ALA 9 -13.684 18.448 -7.322 1.00 0.00 ATOM 65 O ALA 9 -12.536 15.470 -8.005 1.00 0.00 ATOM 66 C ALA 9 -13.342 16.002 -7.238 1.00 0.00 ATOM 67 N LYS 10 -13.461 15.660 -5.982 1.00 0.00 ATOM 68 CA LYS 10 -12.656 14.621 -5.351 1.00 0.00 ATOM 69 CB LYS 10 -12.968 14.546 -3.855 1.00 0.00 ATOM 70 CG LYS 10 -12.476 15.743 -3.057 1.00 0.00 ATOM 71 CD LYS 10 -12.823 15.603 -1.583 1.00 0.00 ATOM 72 CE LYS 10 -12.353 16.812 -0.790 1.00 0.00 ATOM 73 NZ LYS 10 -12.717 16.706 0.650 1.00 0.00 ATOM 74 O LYS 10 -12.049 12.498 -6.310 1.00 0.00 ATOM 75 C LYS 10 -12.962 13.264 -5.975 1.00 0.00 ATOM 76 N ARG 11 -14.236 12.942 -6.109 1.00 0.00 ATOM 77 CA ARG 11 -14.628 11.658 -6.702 1.00 0.00 ATOM 78 CB ARG 11 -16.062 11.524 -6.934 1.00 0.00 ATOM 79 CG ARG 11 -16.857 11.419 -5.666 1.00 0.00 ATOM 80 CD ARG 11 -18.323 11.119 -5.898 1.00 0.00 ATOM 81 NE ARG 11 -19.033 10.969 -4.629 1.00 0.00 ATOM 82 CZ ARG 11 -19.662 11.958 -3.973 1.00 0.00 ATOM 83 NH1 ARG 11 -19.680 13.197 -4.446 1.00 0.00 ATOM 84 NH2 ARG 11 -20.261 11.696 -2.815 1.00 0.00 ATOM 85 O ARG 11 -13.619 10.404 -8.490 1.00 0.00 ATOM 86 C ARG 11 -14.076 11.484 -8.120 1.00 0.00 ATOM 87 N LEU 12 -14.108 12.560 -8.916 1.00 0.00 ATOM 88 CA LEU 12 -13.597 12.499 -10.282 1.00 0.00 ATOM 89 CB LEU 12 -13.791 13.843 -10.987 1.00 0.00 ATOM 90 CG LEU 12 -13.231 13.949 -12.409 1.00 0.00 ATOM 91 CD1 LEU 12 -13.914 12.950 -13.331 1.00 0.00 ATOM 92 CD2 LEU 12 -13.457 15.346 -12.971 1.00 0.00 ATOM 93 O LEU 12 -11.621 11.298 -10.971 1.00 0.00 ATOM 94 C LEU 12 -12.107 12.210 -10.298 1.00 0.00 ATOM 95 N LEU 13 -11.298 13.034 -9.567 1.00 0.00 ATOM 96 CA LEU 13 -9.856 12.886 -9.541 1.00 0.00 ATOM 97 CB LEU 13 -9.173 13.978 -8.713 1.00 0.00 ATOM 98 CG LEU 13 -9.200 15.390 -9.301 1.00 0.00 ATOM 99 CD1 LEU 13 -8.652 16.398 -8.303 1.00 0.00 ATOM 100 CD2 LEU 13 -8.354 15.462 -10.563 1.00 0.00 ATOM 101 O LEU 13 -8.616 10.840 -9.467 1.00 0.00 ATOM 102 C LEU 13 -9.493 11.520 -8.950 1.00 0.00 ATOM 103 N PHE 14 -10.166 11.156 -7.905 1.00 0.00 ATOM 104 CA PHE 14 -9.923 9.865 -7.245 1.00 0.00 ATOM 105 CB PHE 14 -10.428 9.733 -5.863 1.00 0.00 ATOM 106 CG PHE 14 -9.703 10.607 -4.884 1.00 0.00 ATOM 107 CD1 PHE 14 -8.440 10.258 -4.425 1.00 0.00 ATOM 108 CD2 PHE 14 -10.283 11.766 -4.402 1.00 0.00 ATOM 109 CE1 PHE 14 -7.703 11.056 -3.548 1.00 0.00 ATOM 110 CE2 PHE 14 -9.539 12.582 -3.521 1.00 0.00 ATOM 111 CZ PHE 14 -8.281 12.228 -3.058 1.00 0.00 ATOM 112 O PHE 14 -9.588 7.635 -8.096 1.00 0.00 ATOM 113 C PHE 14 -10.301 8.616 -8.089 1.00 0.00 ATOM 114 N GLN 15 -11.412 8.689 -8.813 1.00 0.00 ATOM 115 CA GLN 15 -11.846 7.614 -9.659 1.00 0.00 ATOM 116 CB GLN 15 -13.125 7.941 -10.432 1.00 0.00 ATOM 117 CG GLN 15 -14.372 8.011 -9.567 1.00 0.00 ATOM 118 CD GLN 15 -15.598 8.448 -10.346 1.00 0.00 ATOM 119 OE1 GLN 15 -15.507 8.787 -11.526 1.00 0.00 ATOM 120 NE2 GLN 15 -16.750 8.439 -9.686 1.00 0.00 ATOM 121 O GLN 15 -10.372 6.171 -10.878 1.00 0.00 ATOM 122 C GLN 15 -10.722 7.327 -10.646 1.00 0.00 ATOM 123 N MET 16 -10.172 8.456 -11.119 1.00 0.00 ATOM 124 CA MET 16 -9.078 8.374 -12.081 1.00 0.00 ATOM 125 CB MET 16 -8.714 9.768 -12.598 1.00 0.00 ATOM 126 CG MET 16 -9.772 10.392 -13.494 1.00 0.00 ATOM 127 SD MET 16 -9.356 12.074 -13.995 1.00 0.00 ATOM 128 CE MET 16 -8.003 11.764 -15.126 1.00 0.00 ATOM 129 O MET 16 -7.182 6.902 -12.044 1.00 0.00 ATOM 130 C MET 16 -7.799 7.812 -11.483 1.00 0.00 ATOM 131 N VAL 17 -7.394 8.347 -10.364 1.00 0.00 ATOM 132 CA VAL 17 -6.177 7.850 -9.708 1.00 0.00 ATOM 133 CB VAL 17 -5.901 8.591 -8.386 1.00 0.00 ATOM 134 CG1 VAL 17 -4.778 7.913 -7.617 1.00 0.00 ATOM 135 CG2 VAL 17 -5.496 10.032 -8.658 1.00 0.00 ATOM 136 O VAL 17 -5.325 5.623 -9.514 1.00 0.00 ATOM 137 C VAL 17 -6.300 6.363 -9.397 1.00 0.00 ATOM 138 N GLY 18 -7.484 5.929 -8.974 1.00 0.00 ATOM 139 CA GLY 18 -7.688 4.518 -8.669 1.00 0.00 ATOM 140 O GLY 18 -6.921 2.629 -9.936 1.00 0.00 ATOM 141 C GLY 18 -7.565 3.682 -9.934 1.00 0.00 ATOM 142 N ASN 19 -8.186 4.164 -11.012 1.00 0.00 ATOM 143 CA ASN 19 -8.128 3.429 -12.271 1.00 0.00 ATOM 144 CB ASN 19 -8.983 4.166 -13.303 1.00 0.00 ATOM 145 CG ASN 19 -10.468 3.939 -13.099 1.00 0.00 ATOM 146 ND2 ASN 19 -11.287 4.780 -13.721 1.00 0.00 ATOM 147 OD1 ASN 19 -10.872 3.017 -12.387 1.00 0.00 ATOM 148 O ASN 19 -6.176 2.306 -13.059 1.00 0.00 ATOM 149 C ASN 19 -6.627 3.322 -12.618 1.00 0.00 ATOM 150 N ALA 20 -5.899 4.408 -12.452 1.00 0.00 ATOM 151 CA ALA 20 -4.493 4.443 -12.811 1.00 0.00 ATOM 152 CB ALA 20 -3.969 5.871 -12.786 1.00 0.00 ATOM 153 O ALA 20 -2.683 2.934 -12.357 1.00 0.00 ATOM 154 C ALA 20 -3.639 3.557 -11.904 1.00 0.00 ATOM 155 N ILE 21 -3.967 3.514 -10.610 1.00 0.00 ATOM 156 CA ILE 21 -3.222 2.666 -9.688 1.00 0.00 ATOM 157 CB ILE 21 -3.810 2.828 -8.266 1.00 0.00 ATOM 158 CG1 ILE 21 -3.417 4.195 -7.687 1.00 0.00 ATOM 159 CG2 ILE 21 -3.357 1.688 -7.315 1.00 0.00 ATOM 160 CD1 ILE 21 -4.115 4.541 -6.368 1.00 0.00 ATOM 161 O ILE 21 -2.312 0.449 -10.111 1.00 0.00 ATOM 162 C ILE 21 -3.297 1.199 -10.144 1.00 0.00 ATOM 163 N ASN 22 -4.484 0.789 -10.566 1.00 0.00 ATOM 164 CA ASN 22 -4.709 -0.565 -11.035 1.00 0.00 ATOM 165 CB ASN 22 -6.201 -0.806 -11.278 1.00 0.00 ATOM 166 CG ASN 22 -6.990 -0.913 -9.988 1.00 0.00 ATOM 167 ND2 ASN 22 -8.298 -0.691 -10.077 1.00 0.00 ATOM 168 OD1 ASN 22 -6.432 -1.190 -8.928 1.00 0.00 ATOM 169 O ASN 22 -3.639 -2.026 -12.605 1.00 0.00 ATOM 170 C ASN 22 -4.008 -0.882 -12.351 1.00 0.00 ATOM 171 N ARG 23 -3.789 0.148 -13.180 1.00 0.00 ATOM 172 CA ARG 23 -3.095 -0.053 -14.430 1.00 0.00 ATOM 173 CB ARG 23 -3.015 1.259 -15.216 1.00 0.00 ATOM 174 CG ARG 23 -4.342 1.709 -15.807 1.00 0.00 ATOM 175 CD ARG 23 -4.206 3.050 -16.508 1.00 0.00 ATOM 176 NE ARG 23 -5.480 3.511 -17.057 1.00 0.00 ATOM 177 CZ ARG 23 -5.654 4.686 -17.656 1.00 0.00 ATOM 178 NH1 ARG 23 -6.849 5.020 -18.124 1.00 0.00 ATOM 179 NH2 ARG 23 -4.633 5.523 -17.783 1.00 0.00 ATOM 180 O ARG 23 -1.304 -1.523 -15.043 1.00 0.00 ATOM 181 C ARG 23 -1.712 -0.648 -14.295 1.00 0.00 ATOM 182 N ASN 24 -0.912 -0.134 -13.372 1.00 0.00 ATOM 183 CA ASN 24 0.464 -0.625 -13.251 1.00 0.00 ATOM 184 CB ASN 24 1.306 0.151 -12.238 1.00 0.00 ATOM 185 CG ASN 24 1.630 1.556 -12.704 1.00 0.00 ATOM 186 ND2 ASN 24 1.964 2.429 -11.760 1.00 0.00 ATOM 187 OD1 ASN 24 1.582 1.851 -13.899 1.00 0.00 ATOM 188 O ASN 24 1.182 -2.896 -13.429 1.00 0.00 ATOM 189 C ASN 24 0.418 -2.103 -12.874 1.00 0.00 ATOM 190 N THR 25 -0.469 -2.410 -11.999 1.00 0.00 ATOM 191 CA THR 25 -0.574 -3.820 -11.541 1.00 0.00 ATOM 192 CB THR 25 -1.599 -3.991 -10.405 1.00 0.00 ATOM 193 CG2 THR 25 -1.690 -5.451 -9.986 1.00 0.00 ATOM 194 OG1 THR 25 -1.200 -3.208 -9.273 1.00 0.00 ATOM 195 O THR 25 -0.406 -5.770 -12.925 1.00 0.00 ATOM 196 C THR 25 -0.960 -4.690 -12.725 1.00 0.00 ATOM 197 N GLN 26 -1.915 -4.211 -13.544 1.00 0.00 ATOM 198 CA GLN 26 -2.342 -4.969 -14.699 1.00 0.00 ATOM 199 CB GLN 26 -3.519 -4.292 -15.404 1.00 0.00 ATOM 200 CG GLN 26 -4.807 -4.289 -14.597 1.00 0.00 ATOM 201 CD GLN 26 -5.919 -3.515 -15.277 1.00 0.00 ATOM 202 OE1 GLN 26 -5.706 -2.886 -16.314 1.00 0.00 ATOM 203 NE2 GLN 26 -7.110 -3.556 -14.694 1.00 0.00 ATOM 204 O GLN 26 -0.840 -6.220 -16.207 1.00 0.00 ATOM 205 C GLN 26 -1.155 -5.129 -15.699 1.00 0.00 ATOM 206 N GLN 27 -0.475 -4.055 -15.973 1.00 0.00 ATOM 207 CA GLN 27 0.605 -4.102 -16.957 1.00 0.00 ATOM 208 CB GLN 27 1.036 -2.686 -17.343 1.00 0.00 ATOM 209 CG GLN 27 -0.014 -1.909 -18.124 1.00 0.00 ATOM 210 CD GLN 27 0.437 -0.501 -18.465 1.00 0.00 ATOM 211 OE1 GLN 27 1.529 -0.080 -18.085 1.00 0.00 ATOM 212 NE2 GLN 27 -0.407 0.232 -19.181 1.00 0.00 ATOM 213 O GLN 27 2.756 -5.105 -17.309 1.00 0.00 ATOM 214 C GLN 27 1.856 -4.858 -16.504 1.00 0.00 ATOM 215 N LEU 28 1.910 -5.144 -15.230 1.00 0.00 ATOM 216 CA LEU 28 3.074 -5.860 -14.709 1.00 0.00 ATOM 217 CB LEU 28 3.015 -6.056 -13.194 1.00 0.00 ATOM 218 CG LEU 28 3.045 -4.785 -12.344 1.00 0.00 ATOM 219 CD1 LEU 28 2.862 -5.118 -10.871 1.00 0.00 ATOM 220 CD2 LEU 28 4.372 -4.061 -12.506 1.00 0.00 ATOM 221 O LEU 28 4.317 -7.874 -15.098 1.00 0.00 ATOM 222 C LEU 28 3.286 -7.244 -15.321 1.00 0.00 ATOM 223 N THR 29 2.214 -7.732 -16.093 1.00 0.00 ATOM 224 CA THR 29 2.383 -9.049 -16.697 1.00 0.00 ATOM 225 CB THR 29 1.151 -9.448 -17.533 1.00 0.00 ATOM 226 CG2 THR 29 1.367 -10.805 -18.184 1.00 0.00 ATOM 227 OG1 THR 29 -0.003 -9.517 -16.686 1.00 0.00 ATOM 228 O THR 29 4.460 -9.864 -17.605 1.00 0.00 ATOM 229 C THR 29 3.645 -8.933 -17.561 1.00 0.00 ATOM 230 N GLN 30 3.825 -7.762 -18.190 1.00 0.00 ATOM 231 CA GLN 30 5.017 -7.543 -19.003 1.00 0.00 ATOM 232 CB GLN 30 4.848 -6.175 -19.669 1.00 0.00 ATOM 233 CG GLN 30 3.726 -6.117 -20.692 1.00 0.00 ATOM 234 CD GLN 30 3.513 -4.722 -21.247 1.00 0.00 ATOM 235 OE1 GLN 30 4.140 -3.764 -20.795 1.00 0.00 ATOM 236 NE2 GLN 30 2.629 -4.606 -22.229 1.00 0.00 ATOM 237 O GLN 30 7.255 -8.258 -18.584 1.00 0.00 ATOM 238 C GLN 30 6.295 -7.607 -18.179 1.00 0.00 ATOM 239 N ASP 31 6.285 -6.967 -17.014 1.00 0.00 ATOM 240 CA ASP 31 7.482 -7.003 -16.170 1.00 0.00 ATOM 241 CB ASP 31 7.321 -6.080 -14.961 1.00 0.00 ATOM 242 CG ASP 31 7.357 -4.611 -15.341 1.00 0.00 ATOM 243 OD1 ASP 31 7.749 -4.304 -16.484 1.00 0.00 ATOM 244 OD2 ASP 31 6.992 -3.771 -14.493 1.00 0.00 ATOM 245 O ASP 31 8.911 -8.863 -15.650 1.00 0.00 ATOM 246 C ASP 31 7.759 -8.421 -15.683 1.00 0.00 ATOM 247 N LEU 32 6.716 -9.133 -15.260 1.00 0.00 ATOM 248 CA LEU 32 6.906 -10.501 -14.772 1.00 0.00 ATOM 249 CB LEU 32 5.604 -11.036 -14.204 1.00 0.00 ATOM 250 CG LEU 32 5.046 -10.238 -13.048 1.00 0.00 ATOM 251 CD1 LEU 32 3.658 -10.790 -12.662 1.00 0.00 ATOM 252 CD2 LEU 32 5.989 -10.323 -11.876 1.00 0.00 ATOM 253 O LEU 32 8.332 -12.212 -15.688 1.00 0.00 ATOM 254 C LEU 32 7.435 -11.396 -15.906 1.00 0.00 ATOM 255 N ARG 33 6.891 -11.227 -17.125 1.00 0.00 ATOM 256 CA ARG 33 7.407 -12.016 -18.238 1.00 0.00 ATOM 257 CB ARG 33 6.608 -11.750 -19.515 1.00 0.00 ATOM 258 CG ARG 33 6.997 -12.687 -20.640 1.00 0.00 ATOM 259 CD ARG 33 6.654 -14.112 -20.249 1.00 0.00 ATOM 260 NE ARG 33 7.219 -15.113 -21.147 1.00 0.00 ATOM 261 CZ ARG 33 8.490 -15.504 -21.137 1.00 0.00 ATOM 262 NH1 ARG 33 9.346 -14.976 -20.276 1.00 0.00 ATOM 263 NH2 ARG 33 8.897 -16.446 -21.979 1.00 0.00 ATOM 264 O ARG 33 9.661 -12.561 -18.766 1.00 0.00 ATOM 265 C ARG 33 8.854 -11.676 -18.484 1.00 0.00 ATOM 266 N ALA 34 9.192 -10.388 -18.396 1.00 0.00 ATOM 267 CA ALA 34 10.556 -9.970 -18.581 1.00 0.00 ATOM 268 CB ALA 34 10.641 -8.433 -18.501 1.00 0.00 ATOM 269 O ALA 34 12.622 -10.921 -17.896 1.00 0.00 ATOM 270 C ALA 34 11.506 -10.567 -17.558 1.00 0.00 ATOM 271 N MET 35 11.053 -10.664 -16.316 1.00 0.00 ATOM 272 CA MET 35 11.891 -11.192 -15.225 1.00 0.00 ATOM 273 CB MET 35 11.508 -10.604 -13.864 1.00 0.00 ATOM 274 CG MET 35 11.771 -9.110 -13.687 1.00 0.00 ATOM 275 SD MET 35 11.263 -8.400 -12.137 1.00 0.00 ATOM 276 CE MET 35 12.455 -9.142 -11.028 1.00 0.00 ATOM 277 O MET 35 10.837 -13.331 -15.585 1.00 0.00 ATOM 278 C MET 35 11.832 -12.708 -15.174 1.00 0.00 ATOM 279 N PRO 36 12.871 -13.339 -14.609 1.00 0.00 ATOM 280 CA PRO 36 12.943 -14.806 -14.498 1.00 0.00 ATOM 281 CB PRO 36 14.288 -15.187 -13.840 1.00 0.00 ATOM 282 CG PRO 36 14.700 -13.859 -13.251 1.00 0.00 ATOM 283 CD PRO 36 14.085 -12.738 -14.081 1.00 0.00 ATOM 284 O PRO 36 11.329 -14.695 -12.705 1.00 0.00 ATOM 285 C PRO 36 11.878 -15.378 -13.564 1.00 0.00 ATOM 286 N ASN 37 11.577 -16.680 -13.796 1.00 0.00 ATOM 287 CA ASN 37 10.446 -17.318 -13.134 1.00 0.00 ATOM 288 CB ASN 37 10.281 -18.757 -13.630 1.00 0.00 ATOM 289 CG ASN 37 9.629 -18.830 -14.996 1.00 0.00 ATOM 290 ND2 ASN 37 9.813 -19.954 -15.678 1.00 0.00 ATOM 291 OD1 ASN 37 8.967 -17.888 -15.432 1.00 0.00 ATOM 292 O ASN 37 9.732 -17.386 -10.836 1.00 0.00 ATOM 293 C ASN 37 10.674 -17.405 -11.633 1.00 0.00 ATOM 294 N TRP 38 11.929 -17.449 -11.257 1.00 0.00 ATOM 295 CA TRP 38 12.254 -17.629 -9.841 1.00 0.00 ATOM 296 CB TRP 38 13.723 -17.843 -9.617 1.00 0.00 ATOM 297 CG TRP 38 14.164 -17.814 -8.179 1.00 0.00 ATOM 298 CD1 TRP 38 13.990 -18.796 -7.238 1.00 0.00 ATOM 299 CD2 TRP 38 14.876 -16.757 -7.529 1.00 0.00 ATOM 300 CE2 TRP 38 15.108 -17.163 -6.196 1.00 0.00 ATOM 301 CE3 TRP 38 15.344 -15.502 -7.948 1.00 0.00 ATOM 302 NE1 TRP 38 14.561 -18.411 -6.043 1.00 0.00 ATOM 303 CZ2 TRP 38 15.789 -16.356 -5.276 1.00 0.00 ATOM 304 CZ3 TRP 38 16.021 -14.702 -7.034 1.00 0.00 ATOM 305 CH2 TRP 38 16.236 -15.133 -5.714 1.00 0.00 ATOM 306 O TRP 38 11.301 -16.598 -7.891 1.00 0.00 ATOM 307 C TRP 38 11.819 -16.429 -9.006 1.00 0.00 ATOM 308 N SER 39 12.041 -15.228 -9.528 1.00 0.00 ATOM 309 CA SER 39 11.651 -14.017 -8.819 1.00 0.00 ATOM 310 CB SER 39 12.089 -12.750 -9.575 1.00 0.00 ATOM 311 OG SER 39 11.583 -12.695 -10.905 1.00 0.00 ATOM 312 O SER 39 9.651 -13.587 -7.589 1.00 0.00 ATOM 313 C SER 39 10.146 -14.034 -8.620 1.00 0.00 ATOM 314 N LEU 40 9.415 -14.574 -9.603 1.00 0.00 ATOM 315 CA LEU 40 7.948 -14.640 -9.482 1.00 0.00 ATOM 316 CB LEU 40 7.317 -15.087 -10.782 1.00 0.00 ATOM 317 CG LEU 40 7.621 -14.289 -12.050 1.00 0.00 ATOM 318 CD1 LEU 40 6.826 -14.873 -13.206 1.00 0.00 ATOM 319 CD2 LEU 40 7.265 -12.824 -11.847 1.00 0.00 ATOM 320 O LEU 40 6.892 -15.255 -7.411 1.00 0.00 ATOM 321 C LEU 40 7.632 -15.596 -8.334 1.00 0.00 ATOM 322 N ARG 41 8.225 -16.791 -8.372 1.00 0.00 ATOM 323 CA ARG 41 8.005 -17.808 -7.352 1.00 0.00 ATOM 324 CB ARG 41 9.013 -19.109 -7.687 1.00 0.00 ATOM 325 CG ARG 41 8.419 -20.510 -7.578 1.00 0.00 ATOM 326 CD ARG 41 9.244 -21.516 -8.367 1.00 0.00 ATOM 327 NE ARG 41 10.624 -21.443 -7.923 1.00 0.00 ATOM 328 CZ ARG 41 11.011 -22.101 -6.843 1.00 0.00 ATOM 329 NH1 ARG 41 10.136 -22.859 -6.175 1.00 0.00 ATOM 330 NH2 ARG 41 12.280 -22.010 -6.448 1.00 0.00 ATOM 331 O ARG 41 8.170 -17.940 -4.961 1.00 0.00 ATOM 332 C ARG 41 8.632 -17.496 -5.993 1.00 0.00 ATOM 333 N PHE 42 9.830 -16.789 -5.860 1.00 0.00 ATOM 334 CA PHE 42 10.471 -16.520 -4.555 1.00 0.00 ATOM 335 CB PHE 42 11.907 -16.087 -4.769 1.00 0.00 ATOM 336 CG PHE 42 12.659 -15.860 -3.478 1.00 0.00 ATOM 337 CD1 PHE 42 12.466 -16.698 -2.377 1.00 0.00 ATOM 338 CD2 PHE 42 13.605 -14.844 -3.383 1.00 0.00 ATOM 339 CE1 PHE 42 13.207 -16.520 -1.207 1.00 0.00 ATOM 340 CE2 PHE 42 14.351 -14.656 -2.211 1.00 0.00 ATOM 341 CZ PHE 42 14.150 -15.500 -1.125 1.00 0.00 ATOM 342 O PHE 42 9.234 -14.473 -4.622 1.00 0.00 ATOM 343 C PHE 42 9.634 -15.411 -3.934 1.00 0.00 ATOM 344 N VAL 43 9.255 -15.565 -2.675 1.00 0.00 ATOM 345 CA VAL 43 8.497 -14.548 -1.962 1.00 0.00 ATOM 346 CB VAL 43 7.228 -15.173 -1.351 1.00 0.00 ATOM 347 CG1 VAL 43 6.430 -14.125 -0.592 1.00 0.00 ATOM 348 CG2 VAL 43 6.344 -15.755 -2.443 1.00 0.00 ATOM 349 O VAL 43 9.874 -14.770 -0.031 1.00 0.00 ATOM 350 C VAL 43 9.359 -13.989 -0.856 1.00 0.00 ATOM 351 N TYR 44 9.549 -12.680 -0.840 1.00 0.00 ATOM 352 CA TYR 44 10.233 -12.015 0.273 1.00 0.00 ATOM 353 CB TYR 44 11.343 -11.108 -0.263 1.00 0.00 ATOM 354 CG TYR 44 12.075 -10.334 0.810 1.00 0.00 ATOM 355 CD1 TYR 44 13.024 -10.954 1.611 1.00 0.00 ATOM 356 CD2 TYR 44 11.812 -8.986 1.018 1.00 0.00 ATOM 357 CE1 TYR 44 13.698 -10.253 2.594 1.00 0.00 ATOM 358 CE2 TYR 44 12.475 -8.270 1.996 1.00 0.00 ATOM 359 CZ TYR 44 13.426 -8.916 2.787 1.00 0.00 ATOM 360 OH TYR 44 14.093 -8.217 3.764 1.00 0.00 ATOM 361 O TYR 44 8.674 -10.239 0.566 1.00 0.00 ATOM 362 C TYR 44 9.281 -11.162 1.106 1.00 0.00 ATOM 363 N ILE 45 9.252 -11.478 2.398 1.00 0.00 ATOM 364 CA ILE 45 8.457 -10.624 3.288 1.00 0.00 ATOM 365 CB ILE 45 7.141 -11.304 3.709 1.00 0.00 ATOM 366 CG1 ILE 45 7.426 -12.632 4.411 1.00 0.00 ATOM 367 CG2 ILE 45 6.270 -11.577 2.493 1.00 0.00 ATOM 368 CD1 ILE 45 6.205 -13.268 5.036 1.00 0.00 ATOM 369 O ILE 45 10.213 -11.001 4.864 1.00 0.00 ATOM 370 C ILE 45 9.251 -10.318 4.526 1.00 0.00 ATOM 371 N VAL 46 8.793 -9.275 5.200 1.00 0.00 ATOM 372 CA VAL 46 9.379 -8.762 6.411 1.00 0.00 ATOM 373 CB VAL 46 9.469 -7.226 6.399 1.00 0.00 ATOM 374 CG1 VAL 46 10.012 -6.714 7.724 1.00 0.00 ATOM 375 CG2 VAL 46 10.392 -6.755 5.288 1.00 0.00 ATOM 376 O VAL 46 7.238 -9.301 7.286 1.00 0.00 ATOM 377 C VAL 46 8.443 -9.178 7.518 1.00 0.00 ATOM 378 N ASP 47 8.956 -9.642 8.640 1.00 0.00 ATOM 379 CA ASP 47 8.075 -10.063 9.733 1.00 0.00 ATOM 380 CB ASP 47 8.853 -10.455 10.989 1.00 0.00 ATOM 381 CG ASP 47 9.609 -11.760 10.824 1.00 0.00 ATOM 382 OD1 ASP 47 9.383 -12.452 9.808 1.00 0.00 ATOM 383 OD2 ASP 47 10.426 -12.091 11.709 1.00 0.00 ATOM 384 O ASP 47 7.349 -7.809 10.151 1.00 0.00 ATOM 385 C ASP 47 7.069 -9.015 10.158 1.00 0.00 ATOM 386 N ARG 48 5.880 -9.487 10.518 1.00 0.00 ATOM 387 CA ARG 48 4.836 -8.600 10.951 1.00 0.00 ATOM 388 CB ARG 48 3.557 -9.385 11.251 1.00 0.00 ATOM 389 CG ARG 48 2.872 -9.949 10.016 1.00 0.00 ATOM 390 CD ARG 48 1.607 -10.708 10.385 1.00 0.00 ATOM 391 NE ARG 48 0.954 -11.285 9.212 1.00 0.00 ATOM 392 CZ ARG 48 -0.118 -12.069 9.265 1.00 0.00 ATOM 393 NH1 ARG 48 -0.644 -12.547 8.147 1.00 0.00 ATOM 394 NH2 ARG 48 -0.660 -12.372 10.436 1.00 0.00 ATOM 395 O ARG 48 5.874 -8.408 13.128 1.00 0.00 ATOM 396 C ARG 48 5.233 -7.859 12.218 1.00 0.00 ATOM 397 N ASN 49 4.870 -6.590 12.255 1.00 0.00 ATOM 398 CA ASN 49 5.160 -5.766 13.416 1.00 0.00 ATOM 399 CB ASN 49 5.992 -4.549 13.006 1.00 0.00 ATOM 400 CG ASN 49 7.339 -4.933 12.427 1.00 0.00 ATOM 401 ND2 ASN 49 7.523 -4.674 11.137 1.00 0.00 ATOM 402 OD1 ASN 49 8.201 -5.456 13.133 1.00 0.00 ATOM 403 O ASN 49 2.801 -5.223 13.233 1.00 0.00 ATOM 404 C ASN 49 3.801 -5.333 13.966 1.00 0.00 ATOM 405 N ASN 50 3.754 -5.076 15.258 1.00 0.00 ATOM 406 CA ASN 50 2.510 -4.597 15.854 1.00 0.00 ATOM 407 CB ASN 50 2.294 -5.239 17.226 1.00 0.00 ATOM 408 CG ASN 50 2.047 -6.732 17.136 1.00 0.00 ATOM 409 ND2 ASN 50 2.421 -7.456 18.187 1.00 0.00 ATOM 410 OD1 ASN 50 1.525 -7.227 16.139 1.00 0.00 ATOM 411 O ASN 50 3.472 -2.558 16.668 1.00 0.00 ATOM 412 C ASN 50 2.545 -3.084 16.052 1.00 0.00 ATOM 413 N GLN 51 1.532 -2.306 15.543 1.00 0.00 ATOM 414 CA GLN 51 1.509 -0.857 15.654 1.00 0.00 ATOM 415 CB GLN 51 1.841 -0.237 14.277 1.00 0.00 ATOM 416 CG GLN 51 3.258 -0.424 13.764 1.00 0.00 ATOM 417 CD GLN 51 4.280 0.330 14.591 1.00 0.00 ATOM 418 OE1 GLN 51 4.065 1.481 14.969 1.00 0.00 ATOM 419 NE2 GLN 51 5.409 -0.313 14.860 1.00 0.00 ATOM 420 O GLN 51 -0.859 -0.741 15.653 1.00 0.00 ATOM 421 C GLN 51 0.167 -0.321 16.162 1.00 0.00 ATOM 422 N ASP 52 0.181 0.635 17.121 1.00 0.00 ATOM 423 CA ASP 52 -1.046 1.215 17.648 1.00 0.00 ATOM 424 CB ASP 52 -0.734 1.581 19.115 1.00 0.00 ATOM 425 CG ASP 52 -0.509 0.365 19.969 1.00 0.00 ATOM 426 OD1 ASP 52 -0.858 -0.749 19.555 1.00 0.00 ATOM 427 OD2 ASP 52 -0.043 0.445 21.129 1.00 0.00 ATOM 428 O ASP 52 -0.347 3.313 16.708 1.00 0.00 ATOM 429 C ASP 52 -1.268 2.534 16.907 1.00 0.00 ATOM 430 N LEU 53 -2.570 2.816 16.499 1.00 0.00 ATOM 431 CA LEU 53 -2.974 4.060 15.881 1.00 0.00 ATOM 432 CB LEU 53 -3.246 4.014 14.377 1.00 0.00 ATOM 433 CG LEU 53 -2.075 3.590 13.489 1.00 0.00 ATOM 434 CD1 LEU 53 -2.521 3.454 12.040 1.00 0.00 ATOM 435 CD2 LEU 53 -0.956 4.617 13.549 1.00 0.00 ATOM 436 O LEU 53 -5.348 3.966 16.376 1.00 0.00 ATOM 437 C LEU 53 -4.259 4.517 16.609 1.00 0.00 ATOM 438 N LEU 54 -4.143 5.535 17.447 1.00 0.00 ATOM 439 CA LEU 54 -5.302 6.017 18.174 1.00 0.00 ATOM 440 CB LEU 54 -6.493 6.180 17.227 1.00 0.00 ATOM 441 CG LEU 54 -6.334 7.215 16.112 1.00 0.00 ATOM 442 CD1 LEU 54 -7.539 7.194 15.184 1.00 0.00 ATOM 443 CD2 LEU 54 -6.204 8.614 16.691 1.00 0.00 ATOM 444 O LEU 54 -4.736 4.714 20.113 1.00 0.00 ATOM 445 C LEU 54 -5.574 4.964 19.228 1.00 0.00 ATOM 446 N LYS 55 -6.706 4.301 19.102 1.00 0.00 ATOM 447 CA LYS 55 -7.022 3.257 20.061 1.00 0.00 ATOM 448 CB LYS 55 -8.304 3.590 20.829 1.00 0.00 ATOM 449 CG LYS 55 -8.166 4.762 21.786 1.00 0.00 ATOM 450 CD LYS 55 -9.473 5.039 22.511 1.00 0.00 ATOM 451 CE LYS 55 -9.371 6.282 23.379 1.00 0.00 ATOM 452 NZ LYS 55 -10.650 6.577 24.082 1.00 0.00 ATOM 453 O LYS 55 -7.951 1.035 20.127 1.00 0.00 ATOM 454 C LYS 55 -7.310 1.880 19.496 1.00 0.00 ATOM 455 N ARG 56 -6.669 1.866 18.079 1.00 0.00 ATOM 456 CA ARG 56 -6.715 0.566 17.435 1.00 0.00 ATOM 457 CB ARG 56 -7.863 0.621 16.380 1.00 0.00 ATOM 458 CG ARG 56 -7.360 1.287 15.092 1.00 0.00 ATOM 459 CD ARG 56 -8.335 2.200 14.502 1.00 0.00 ATOM 460 NE ARG 56 -7.917 2.705 13.195 1.00 0.00 ATOM 461 CZ ARG 56 -7.081 3.725 13.011 1.00 0.00 ATOM 462 NH1 ARG 56 -6.490 4.328 14.042 1.00 0.00 ATOM 463 NH2 ARG 56 -6.836 4.142 11.782 1.00 0.00 ATOM 464 O ARG 56 -4.487 0.728 16.573 1.00 0.00 ATOM 465 C ARG 56 -5.356 -0.004 17.042 1.00 0.00 ATOM 466 N PRO 57 -5.172 -1.299 17.227 1.00 0.00 ATOM 467 CA PRO 57 -3.892 -1.920 16.876 1.00 0.00 ATOM 468 CB PRO 57 -3.590 -2.894 18.017 1.00 0.00 ATOM 469 CG PRO 57 -4.934 -3.338 18.493 1.00 0.00 ATOM 470 CD PRO 57 -5.834 -2.141 18.375 1.00 0.00 ATOM 471 O PRO 57 -5.065 -3.181 15.228 1.00 0.00 ATOM 472 C PRO 57 -4.015 -2.626 15.538 1.00 0.00 ATOM 473 N LEU 58 -2.837 -2.670 14.794 1.00 0.00 ATOM 474 CA LEU 58 -2.702 -3.464 13.560 1.00 0.00 ATOM 475 CB LEU 58 -2.841 -2.582 12.317 1.00 0.00 ATOM 476 CG LEU 58 -1.848 -1.425 12.194 1.00 0.00 ATOM 477 CD1 LEU 58 -0.536 -1.905 11.592 1.00 0.00 ATOM 478 CD2 LEU 58 -2.408 -0.328 11.301 1.00 0.00 ATOM 479 O LEU 58 -0.310 -3.660 13.727 1.00 0.00 ATOM 480 C LEU 58 -1.359 -4.148 13.330 1.00 0.00 ATOM 481 N PRO 59 -1.410 -5.346 12.670 1.00 0.00 ATOM 482 CA PRO 59 -0.162 -5.989 12.275 1.00 0.00 ATOM 483 CB PRO 59 -0.435 -7.478 12.432 1.00 0.00 ATOM 484 CG PRO 59 -1.897 -7.622 12.625 1.00 0.00 ATOM 485 CD PRO 59 -2.490 -6.300 12.998 1.00 0.00 ATOM 486 O PRO 59 -0.519 -5.494 9.970 1.00 0.00 ATOM 487 C PRO 59 0.263 -5.456 10.913 1.00 0.00 ATOM 488 N PRO 60 1.348 -4.716 10.881 1.00 0.00 ATOM 489 CA PRO 60 1.812 -4.188 9.595 1.00 0.00 ATOM 490 CB PRO 60 2.411 -2.852 9.990 1.00 0.00 ATOM 491 CG PRO 60 2.936 -3.082 11.371 1.00 0.00 ATOM 492 CD PRO 60 1.941 -3.955 12.010 1.00 0.00 ATOM 493 O PRO 60 3.622 -5.740 9.792 1.00 0.00 ATOM 494 C PRO 60 2.801 -5.212 9.029 1.00 0.00 ATOM 495 N GLY 61 2.619 -5.455 7.771 1.00 0.00 ATOM 496 CA GLY 61 3.495 -6.403 7.039 1.00 0.00 ATOM 497 O GLY 61 3.263 -4.971 5.110 1.00 0.00 ATOM 498 C GLY 61 3.940 -5.814 5.729 1.00 0.00 ATOM 499 N ILE 62 5.049 -6.330 5.226 1.00 0.00 ATOM 500 CA ILE 62 5.482 -5.897 3.933 1.00 0.00 ATOM 501 CB ILE 62 6.532 -4.746 4.010 1.00 0.00 ATOM 502 CG1 ILE 62 7.770 -5.218 4.772 1.00 0.00 ATOM 503 CG2 ILE 62 5.921 -3.539 4.689 1.00 0.00 ATOM 504 CD1 ILE 62 8.895 -4.217 4.774 1.00 0.00 ATOM 505 O ILE 62 6.633 -8.003 3.782 1.00 0.00 ATOM 506 C ILE 62 6.148 -7.028 3.186 1.00 0.00 ATOM 507 N MET 63 6.223 -6.847 1.909 1.00 0.00 ATOM 508 CA MET 63 6.869 -7.848 1.053 1.00 0.00 ATOM 509 CB MET 63 5.844 -8.903 0.634 1.00 0.00 ATOM 510 CG MET 63 4.704 -8.361 -0.212 1.00 0.00 ATOM 511 SD MET 63 3.525 -9.637 -0.690 1.00 0.00 ATOM 512 CE MET 63 4.468 -10.524 -1.927 1.00 0.00 ATOM 513 O MET 63 7.082 -6.039 -0.505 1.00 0.00 ATOM 514 C MET 63 7.425 -7.167 -0.181 1.00 0.00 ATOM 515 N VAL 64 8.316 -7.840 -0.927 1.00 0.00 ATOM 516 CA VAL 64 8.827 -7.205 -2.091 1.00 0.00 ATOM 517 CB VAL 64 10.186 -6.531 -1.825 1.00 0.00 ATOM 518 CG1 VAL 64 10.041 -5.443 -0.772 1.00 0.00 ATOM 519 CG2 VAL 64 11.197 -7.553 -1.326 1.00 0.00 ATOM 520 O VAL 64 8.932 -9.440 -2.967 1.00 0.00 ATOM 521 C VAL 64 9.008 -8.220 -3.154 1.00 0.00 ATOM 522 N LEU 65 9.300 -7.766 -4.389 1.00 0.00 ATOM 523 CA LEU 65 9.548 -8.727 -5.459 1.00 0.00 ATOM 524 CB LEU 65 9.601 -8.019 -6.814 1.00 0.00 ATOM 525 CG LEU 65 9.784 -8.913 -8.041 1.00 0.00 ATOM 526 CD1 LEU 65 8.578 -9.821 -8.229 1.00 0.00 ATOM 527 CD2 LEU 65 9.949 -8.076 -9.300 1.00 0.00 ATOM 528 O LEU 65 11.902 -8.887 -5.258 1.00 0.00 ATOM 529 C LEU 65 10.868 -9.481 -5.272 1.00 0.00 ATOM 530 N ALA 66 10.830 -10.823 -5.232 1.00 0.00 ATOM 531 CA ALA 66 12.055 -11.611 -5.060 1.00 0.00 ATOM 532 CB ALA 66 11.751 -13.073 -5.305 1.00 0.00 ATOM 533 O ALA 66 12.707 -11.104 -7.315 1.00 0.00 ATOM 534 C ALA 66 13.068 -11.213 -6.138 1.00 0.00 ATOM 535 N PRO 67 14.303 -10.978 -5.700 1.00 0.00 ATOM 536 CA PRO 67 15.399 -10.587 -6.633 1.00 0.00 ATOM 537 CB PRO 67 16.629 -10.512 -5.740 1.00 0.00 ATOM 538 CG PRO 67 15.997 -10.107 -4.381 1.00 0.00 ATOM 539 CD PRO 67 14.782 -11.039 -4.296 1.00 0.00 ATOM 540 O PRO 67 15.594 -11.257 -8.921 1.00 0.00 ATOM 541 C PRO 67 15.498 -11.628 -7.772 1.00 0.00 ATOM 542 N ARG 68 14.248 -8.740 -7.343 1.00 0.00 ATOM 543 CA ARG 68 14.237 -7.328 -7.669 1.00 0.00 ATOM 544 CB ARG 68 14.351 -6.989 -9.095 1.00 0.00 ATOM 545 CG ARG 68 15.752 -7.274 -9.683 1.00 0.00 ATOM 546 CD ARG 68 16.831 -6.169 -9.357 1.00 0.00 ATOM 547 NE ARG 68 17.071 -6.190 -7.908 1.00 0.00 ATOM 548 CZ ARG 68 17.726 -7.111 -7.201 1.00 0.00 ATOM 549 NH1 ARG 68 17.787 -6.978 -5.863 1.00 0.00 ATOM 550 NH2 ARG 68 18.318 -8.139 -7.804 1.00 0.00 ATOM 551 O ARG 68 12.437 -5.913 -6.891 1.00 0.00 ATOM 552 C ARG 68 13.437 -6.600 -6.606 1.00 0.00 ATOM 553 N LEU 69 13.889 -6.803 -5.381 1.00 0.00 ATOM 554 CA LEU 69 13.191 -6.277 -4.219 1.00 0.00 ATOM 555 CB LEU 69 13.878 -6.776 -2.917 1.00 0.00 ATOM 556 CG LEU 69 13.884 -8.299 -2.666 1.00 0.00 ATOM 557 CD1 LEU 69 14.663 -8.580 -1.405 1.00 0.00 ATOM 558 CD2 LEU 69 12.468 -8.810 -2.508 1.00 0.00 ATOM 559 O LEU 69 12.092 -4.194 -3.762 1.00 0.00 ATOM 560 C LEU 69 13.120 -4.758 -4.170 1.00 0.00 ATOM 561 N THR 70 14.165 -4.147 -4.541 1.00 0.00 ATOM 562 CA THR 70 14.190 -2.692 -4.487 1.00 0.00 ATOM 563 CB THR 70 15.618 -2.131 -4.636 1.00 0.00 ATOM 564 CG2 THR 70 16.525 -2.692 -3.553 1.00 0.00 ATOM 565 OG1 THR 70 16.146 -2.495 -5.918 1.00 0.00 ATOM 566 O THR 70 13.160 -0.851 -5.438 1.00 0.00 ATOM 567 C THR 70 13.354 -2.024 -5.547 1.00 0.00 ATOM 568 N ALA 71 12.848 -2.765 -6.525 1.00 0.00 ATOM 569 CA ALA 71 12.081 -2.202 -7.621 1.00 0.00 ATOM 570 CB ALA 71 12.361 -2.960 -8.909 1.00 0.00 ATOM 571 O ALA 71 9.844 -1.365 -8.088 1.00 0.00 ATOM 572 C ALA 71 10.554 -2.194 -7.498 1.00 0.00 ATOM 573 N LYS 72 10.056 -3.219 -6.825 1.00 0.00 ATOM 574 CA LYS 72 8.603 -3.371 -6.663 1.00 0.00 ATOM 575 CB LYS 72 8.107 -4.472 -7.599 1.00 0.00 ATOM 576 CG LYS 72 8.020 -3.962 -9.032 1.00 0.00 ATOM 577 CD LYS 72 7.720 -5.063 -10.029 1.00 0.00 ATOM 578 CE LYS 72 6.326 -5.654 -9.835 1.00 0.00 ATOM 579 NZ LYS 72 6.022 -6.689 -10.818 1.00 0.00 ATOM 580 O LYS 72 8.951 -4.923 -4.811 1.00 0.00 ATOM 581 C LYS 72 8.370 -3.903 -5.240 1.00 0.00 ATOM 582 N HIS 73 7.547 -3.188 -4.452 1.00 0.00 ATOM 583 CA HIS 73 7.327 -3.576 -3.068 1.00 0.00 ATOM 584 CB HIS 73 8.429 -3.024 -2.129 1.00 0.00 ATOM 585 CG HIS 73 8.532 -1.527 -2.119 1.00 0.00 ATOM 586 CD2 HIS 73 7.806 -0.571 -2.736 1.00 0.00 ATOM 587 ND1 HIS 73 9.513 -0.862 -1.411 1.00 0.00 ATOM 588 CE1 HIS 73 9.384 0.437 -1.600 1.00 0.00 ATOM 589 NE2 HIS 73 8.356 0.641 -2.402 1.00 0.00 ATOM 590 O HIS 73 5.263 -2.406 -3.400 1.00 0.00 ATOM 591 C HIS 73 5.922 -3.129 -2.645 1.00 0.00 ATOM 592 N PRO 74 5.271 -3.988 -1.489 1.00 0.00 ATOM 593 CA PRO 74 3.917 -3.722 -0.980 1.00 0.00 ATOM 594 CB PRO 74 3.141 -4.935 -1.485 1.00 0.00 ATOM 595 CG PRO 74 3.819 -5.354 -2.749 1.00 0.00 ATOM 596 CD PRO 74 5.289 -5.103 -2.482 1.00 0.00 ATOM 597 O PRO 74 4.660 -4.457 1.133 1.00 0.00 ATOM 598 C PRO 74 3.902 -3.751 0.513 1.00 0.00 ATOM 599 N TYR 75 3.024 -2.913 1.118 1.00 0.00 ATOM 600 CA TYR 75 2.848 -2.936 2.557 1.00 0.00 ATOM 601 CB TYR 75 3.295 -1.593 3.081 1.00 0.00 ATOM 602 CG TYR 75 3.241 -1.420 4.581 1.00 0.00 ATOM 603 CD1 TYR 75 4.304 -1.808 5.371 1.00 0.00 ATOM 604 CD2 TYR 75 2.136 -0.815 5.170 1.00 0.00 ATOM 605 CE1 TYR 75 4.258 -1.566 6.767 1.00 0.00 ATOM 606 CE2 TYR 75 2.068 -0.602 6.555 1.00 0.00 ATOM 607 CZ TYR 75 3.119 -0.982 7.310 1.00 0.00 ATOM 608 OH TYR 75 3.023 -0.772 8.691 1.00 0.00 ATOM 609 O TYR 75 0.536 -2.565 1.993 1.00 0.00 ATOM 610 C TYR 75 1.336 -3.037 2.810 1.00 0.00 ATOM 611 N ASP 76 0.999 -3.745 3.882 1.00 0.00 ATOM 612 CA ASP 76 -0.383 -3.897 4.338 1.00 0.00 ATOM 613 CB ASP 76 -0.910 -5.291 3.991 1.00 0.00 ATOM 614 CG ASP 76 -1.081 -5.495 2.499 1.00 0.00 ATOM 615 OD1 ASP 76 -1.984 -4.861 1.913 1.00 0.00 ATOM 616 OD2 ASP 76 -0.314 -6.289 1.916 1.00 0.00 ATOM 617 O ASP 76 0.375 -4.170 6.599 1.00 0.00 ATOM 618 C ASP 76 -0.478 -3.699 5.842 1.00 0.00 ATOM 619 N LYS 77 -1.505 -2.993 6.284 1.00 0.00 ATOM 620 CA LYS 77 -1.793 -2.809 7.698 1.00 0.00 ATOM 621 CB LYS 77 -1.470 -1.331 8.105 1.00 0.00 ATOM 622 CG LYS 77 -2.520 -0.338 7.608 1.00 0.00 ATOM 623 CD LYS 77 -2.250 1.085 8.099 1.00 0.00 ATOM 624 CE LYS 77 -3.350 2.029 7.638 1.00 0.00 ATOM 625 NZ LYS 77 -3.111 3.442 8.048 1.00 0.00 ATOM 626 O LYS 77 -4.121 -3.322 7.344 1.00 0.00 ATOM 627 C LYS 77 -3.120 -3.588 7.977 1.00 0.00 ATOM 628 N VAL 78 -3.064 -4.565 8.892 1.00 0.00 ATOM 629 CA VAL 78 -4.241 -5.362 9.217 1.00 0.00 ATOM 630 CB VAL 78 -4.053 -6.824 8.776 1.00 0.00 ATOM 631 CG1 VAL 78 -5.274 -7.652 9.145 1.00 0.00 ATOM 632 CG2 VAL 78 -3.855 -6.907 7.270 1.00 0.00 ATOM 633 O VAL 78 -3.566 -5.431 11.567 1.00 0.00 ATOM 634 C VAL 78 -4.495 -5.304 10.744 1.00 0.00 ATOM 635 N GLN 79 -5.757 -5.150 11.119 1.00 0.00 ATOM 636 CA GLN 79 -6.107 -5.142 12.559 1.00 0.00 ATOM 637 CB GLN 79 -7.254 -4.170 12.840 1.00 0.00 ATOM 638 CG GLN 79 -6.879 -2.705 12.695 1.00 0.00 ATOM 639 CD GLN 79 -8.042 -1.775 12.976 1.00 0.00 ATOM 640 OE1 GLN 79 -9.175 -2.218 13.160 1.00 0.00 ATOM 641 NE2 GLN 79 -7.763 -0.476 13.009 1.00 0.00 ATOM 642 O GLN 79 -7.565 -7.000 12.397 1.00 0.00 ATOM 643 C GLN 79 -6.537 -6.575 12.895 1.00 0.00 ATOM 644 N ASP 80 -5.784 -7.317 13.704 1.00 0.00 ATOM 645 CA ASP 80 -6.213 -8.666 14.068 1.00 0.00 ATOM 646 CB ASP 80 -5.279 -9.333 15.043 1.00 0.00 ATOM 647 CG ASP 80 -4.015 -9.813 14.373 1.00 0.00 ATOM 648 OD1 ASP 80 -4.076 -10.217 13.191 1.00 0.00 ATOM 649 OD2 ASP 80 -2.907 -9.820 14.948 1.00 0.00 ATOM 650 O ASP 80 -8.389 -9.588 14.564 1.00 0.00 ATOM 651 C ASP 80 -7.596 -8.654 14.722 1.00 0.00 ATOM 652 N ARG 81 -7.906 -7.527 15.445 1.00 0.00 ATOM 653 CA ARG 81 -9.186 -7.376 16.122 1.00 0.00 ATOM 654 CB ARG 81 -9.024 -6.121 17.039 1.00 0.00 ATOM 655 CG ARG 81 -9.587 -6.319 18.356 1.00 0.00 ATOM 656 CD ARG 81 -9.528 -5.080 19.228 1.00 0.00 ATOM 657 NE ARG 81 -10.834 -4.871 19.841 1.00 0.00 ATOM 658 CZ ARG 81 -11.287 -5.598 20.847 1.00 0.00 ATOM 659 NH1 ARG 81 -10.525 -6.560 21.367 1.00 0.00 ATOM 660 NH2 ARG 81 -12.489 -5.353 21.353 1.00 0.00 ATOM 661 O ARG 81 -11.412 -7.849 15.424 1.00 0.00 ATOM 662 C ARG 81 -10.412 -7.158 15.240 1.00 0.00 ATOM 663 N ASN 82 -10.325 -6.235 14.279 1.00 0.00 ATOM 664 CA ASN 82 -11.491 -5.952 13.402 1.00 0.00 ATOM 665 CB ASN 82 -11.617 -4.444 13.168 1.00 0.00 ATOM 666 CG ASN 82 -11.978 -3.687 14.431 1.00 0.00 ATOM 667 ND2 ASN 82 -11.524 -2.442 14.522 1.00 0.00 ATOM 668 OD1 ASN 82 -12.655 -4.216 15.312 1.00 0.00 ATOM 669 O ASN 82 -12.420 -6.467 11.252 1.00 0.00 ATOM 670 C ASN 82 -11.444 -6.588 12.024 1.00 0.00 ATOM 671 N ARG 83 -10.223 -7.257 11.811 1.00 0.00 ATOM 672 CA ARG 83 -9.974 -7.924 10.535 1.00 0.00 ATOM 673 CB ARG 83 -10.730 -9.354 10.611 1.00 0.00 ATOM 674 CG ARG 83 -10.371 -10.301 11.764 1.00 0.00 ATOM 675 CD ARG 83 -11.241 -11.582 11.653 1.00 0.00 ATOM 676 NE ARG 83 -10.779 -12.497 12.698 1.00 0.00 ATOM 677 CZ ARG 83 -11.245 -12.577 13.948 1.00 0.00 ATOM 678 NH1 ARG 83 -12.319 -11.891 14.292 1.00 0.00 ATOM 679 NH2 ARG 83 -10.621 -13.405 14.789 1.00 0.00 ATOM 680 O ARG 83 -9.710 -7.331 8.255 1.00 0.00 ATOM 681 C ARG 83 -9.849 -6.913 9.387 1.00 0.00 ATOM 682 N LYS 84 -9.905 -5.604 9.689 1.00 0.00 ATOM 683 CA LYS 84 -9.822 -4.509 8.677 1.00 0.00 ATOM 684 CB LYS 84 -10.254 -3.176 9.290 1.00 0.00 ATOM 685 CG LYS 84 -11.732 -3.100 9.634 1.00 0.00 ATOM 686 CD LYS 84 -12.099 -1.738 10.197 1.00 0.00 ATOM 687 CE LYS 84 -13.567 -1.677 10.586 1.00 0.00 ATOM 688 NZ LYS 84 -13.946 -0.340 11.122 1.00 0.00 ATOM 689 O LYS 84 -7.440 -4.757 8.871 1.00 0.00 ATOM 690 C LYS 84 -8.367 -4.415 8.146 1.00 0.00 ATOM 691 N LEU 85 -8.212 -4.073 6.870 1.00 0.00 ATOM 692 CA LEU 85 -6.859 -3.917 6.248 1.00 0.00 ATOM 693 CB LEU 85 -6.401 -5.196 5.544 1.00 0.00 ATOM 694 CG LEU 85 -7.308 -5.717 4.428 1.00 0.00 ATOM 695 CD1 LEU 85 -7.028 -4.990 3.121 1.00 0.00 ATOM 696 CD2 LEU 85 -7.083 -7.203 4.202 1.00 0.00 ATOM 697 O LEU 85 -7.732 -2.488 4.492 1.00 0.00 ATOM 698 C LEU 85 -6.779 -2.791 5.222 1.00 0.00 ATOM 699 N TYR 86 -5.605 -2.153 5.159 1.00 0.00 ATOM 700 CA TYR 86 -5.342 -1.060 4.196 1.00 0.00 ATOM 701 CB TYR 86 -5.165 0.251 4.926 1.00 0.00 ATOM 702 CG TYR 86 -6.409 0.561 5.642 1.00 0.00 ATOM 703 CD1 TYR 86 -6.557 0.223 6.986 1.00 0.00 ATOM 704 CD2 TYR 86 -7.462 1.179 4.976 1.00 0.00 ATOM 705 CE1 TYR 86 -7.721 0.506 7.686 1.00 0.00 ATOM 706 CE2 TYR 86 -8.675 1.457 5.684 1.00 0.00 ATOM 707 CZ TYR 86 -8.764 1.127 7.023 1.00 0.00 ATOM 708 OH TYR 86 -9.901 1.480 7.716 1.00 0.00 ATOM 709 O TYR 86 -3.211 -2.189 4.180 1.00 0.00 ATOM 710 C TYR 86 -3.964 -1.373 3.611 1.00 0.00 ATOM 711 N GLY 87 -3.664 -0.853 2.431 1.00 0.00 ATOM 712 CA GLY 87 -2.352 -1.158 1.864 1.00 0.00 ATOM 713 O GLY 87 -2.490 0.807 0.538 1.00 0.00 ATOM 714 C GLY 87 -1.797 -0.132 0.937 1.00 0.00 ATOM 715 N ARG 88 -0.539 -0.342 0.538 1.00 0.00 ATOM 716 CA ARG 88 0.155 0.550 -0.373 1.00 0.00 ATOM 717 CB ARG 88 1.000 1.534 0.439 1.00 0.00 ATOM 718 CG ARG 88 1.623 2.646 -0.386 1.00 0.00 ATOM 719 CD ARG 88 2.399 3.615 0.489 1.00 0.00 ATOM 720 NE ARG 88 3.144 4.592 -0.301 1.00 0.00 ATOM 721 CZ ARG 88 3.676 5.705 0.193 1.00 0.00 ATOM 722 NH1 ARG 88 4.336 6.536 -0.602 1.00 0.00 ATOM 723 NH2 ARG 88 3.547 5.985 1.483 1.00 0.00 ATOM 724 O ARG 88 1.828 -1.039 -0.819 1.00 0.00 ATOM 725 C ARG 88 1.081 -0.238 -1.305 1.00 0.00 ATOM 726 N HIS 89 0.970 -0.007 -2.597 1.00 0.00 ATOM 727 CA HIS 89 1.854 -0.680 -3.564 1.00 0.00 ATOM 728 CB HIS 89 1.030 -1.359 -4.659 1.00 0.00 ATOM 729 CG HIS 89 0.154 -2.466 -4.158 1.00 0.00 ATOM 730 CD2 HIS 89 -1.242 -2.589 -3.767 1.00 0.00 ATOM 731 ND1 HIS 89 0.617 -3.748 -3.961 1.00 0.00 ATOM 732 CE1 HIS 89 -0.393 -4.513 -3.509 1.00 0.00 ATOM 733 NE2 HIS 89 -1.511 -3.825 -3.390 1.00 0.00 ATOM 734 O HIS 89 2.313 1.411 -4.596 1.00 0.00 ATOM 735 C HIS 89 2.760 0.340 -4.207 1.00 0.00 ATOM 736 N ILE 90 4.051 0.016 -4.379 1.00 0.00 ATOM 737 CA ILE 90 5.018 0.963 -4.992 1.00 0.00 ATOM 738 CB ILE 90 5.898 1.645 -3.876 1.00 0.00 ATOM 739 CG1 ILE 90 5.073 2.358 -2.769 1.00 0.00 ATOM 740 CG2 ILE 90 6.766 2.705 -4.462 1.00 0.00 ATOM 741 CD1 ILE 90 5.368 1.903 -1.382 1.00 0.00 ATOM 742 O ILE 90 6.440 -0.762 -5.856 1.00 0.00 ATOM 743 C ILE 90 5.855 0.295 -6.080 1.00 0.00 ATOM 744 N THR 91 5.918 0.941 -7.243 1.00 0.00 ATOM 745 CA THR 91 6.712 0.459 -8.369 1.00 0.00 ATOM 746 CB THR 91 5.856 0.032 -9.575 1.00 0.00 ATOM 747 CG2 THR 91 6.735 -0.514 -10.688 1.00 0.00 ATOM 748 OG1 THR 91 4.931 -0.987 -9.172 1.00 0.00 ATOM 749 O THR 91 7.214 2.762 -8.913 1.00 0.00 ATOM 750 C THR 91 7.643 1.588 -8.774 1.00 0.00 ATOM 751 N LEU 92 8.914 1.248 -8.915 1.00 0.00 ATOM 752 CA LEU 92 9.919 2.256 -9.278 1.00 0.00 ATOM 753 CB LEU 92 11.196 2.060 -8.441 1.00 0.00 ATOM 754 CG LEU 92 12.434 2.796 -8.941 1.00 0.00 ATOM 755 CD1 LEU 92 12.272 4.257 -8.705 1.00 0.00 ATOM 756 CD2 LEU 92 13.704 2.254 -8.237 1.00 0.00 ATOM 757 O LEU 92 10.621 0.964 -11.131 1.00 0.00 ATOM 758 C LEU 92 10.257 2.084 -10.725 1.00 0.00 ATOM 759 N ASN 93 10.089 3.165 -11.500 1.00 0.00 ATOM 760 CA ASN 93 10.328 3.149 -12.942 1.00 0.00 ATOM 761 CB ASN 93 9.810 4.436 -13.586 1.00 0.00 ATOM 762 CG ASN 93 8.297 4.536 -13.551 1.00 0.00 ATOM 763 ND2 ASN 93 7.784 5.758 -13.633 1.00 0.00 ATOM 764 OD1 ASN 93 7.600 3.526 -13.450 1.00 0.00 ATOM 765 O ASN 93 12.627 3.822 -12.760 1.00 0.00 ATOM 766 C ASN 93 11.799 3.035 -13.249 1.00 0.00 ATOM 767 N ASP 94 12.134 2.022 -14.047 1.00 0.00 ATOM 768 CA ASP 94 13.526 1.784 -14.407 1.00 0.00 ATOM 769 CB ASP 94 13.641 0.560 -15.317 1.00 0.00 ATOM 770 CG ASP 94 13.410 -0.742 -14.576 1.00 0.00 ATOM 771 OD1 ASP 94 13.396 -0.720 -13.327 1.00 0.00 ATOM 772 OD2 ASP 94 13.244 -1.785 -15.243 1.00 0.00 ATOM 773 O ASP 94 15.213 3.441 -14.855 1.00 0.00 ATOM 774 C ASP 94 14.103 2.991 -15.143 1.00 0.00 ATOM 775 N GLY 95 13.120 3.441 -16.059 1.00 0.00 ATOM 776 CA GLY 95 13.476 4.588 -16.882 1.00 0.00 ATOM 777 O GLY 95 14.674 6.663 -16.488 1.00 0.00 ATOM 778 C GLY 95 13.727 5.945 -16.166 1.00 0.00 ATOM 779 N ASN 96 12.881 6.299 -15.206 1.00 0.00 ATOM 780 CA ASN 96 12.991 7.593 -14.522 1.00 0.00 ATOM 781 CB ASN 96 11.679 8.400 -14.733 1.00 0.00 ATOM 782 CG ASN 96 11.390 8.691 -16.192 1.00 0.00 ATOM 783 ND2 ASN 96 10.398 8.004 -16.761 1.00 0.00 ATOM 784 OD1 ASN 96 12.064 9.520 -16.804 1.00 0.00 ATOM 785 O ASN 96 13.677 8.550 -12.445 1.00 0.00 ATOM 786 C ASN 96 13.335 7.538 -13.045 1.00 0.00 ATOM 787 N SER 97 13.174 6.372 -12.448 1.00 0.00 ATOM 788 CA SER 97 13.449 6.240 -11.039 1.00 0.00 ATOM 789 CB SER 97 14.780 6.810 -10.637 1.00 0.00 ATOM 790 OG SER 97 15.781 6.080 -11.352 1.00 0.00 ATOM 791 O SER 97 12.372 6.997 -9.032 1.00 0.00 ATOM 792 C SER 97 12.310 6.872 -10.243 1.00 0.00 ATOM 793 N VAL 98 11.296 7.298 -10.974 1.00 0.00 ATOM 794 CA VAL 98 10.106 7.888 -10.385 1.00 0.00 ATOM 795 CB VAL 98 9.159 8.440 -11.465 1.00 0.00 ATOM 796 CG1 VAL 98 7.851 8.902 -10.842 1.00 0.00 ATOM 797 CG2 VAL 98 9.795 9.623 -12.178 1.00 0.00 ATOM 798 O VAL 98 9.512 5.645 -10.080 1.00 0.00 ATOM 799 C VAL 98 9.471 6.763 -9.614 1.00 0.00 ATOM 800 N LYS 99 8.806 7.144 -8.418 1.00 0.00 ATOM 801 CA LYS 99 8.136 6.078 -7.679 1.00 0.00 ATOM 802 CB LYS 99 8.548 6.108 -6.203 1.00 0.00 ATOM 803 CG LYS 99 10.011 5.780 -5.961 1.00 0.00 ATOM 804 CD LYS 99 10.347 5.817 -4.479 1.00 0.00 ATOM 805 CE LYS 99 11.821 5.533 -4.239 1.00 0.00 ATOM 806 NZ LYS 99 12.169 5.586 -2.793 1.00 0.00 ATOM 807 O LYS 99 6.137 7.371 -7.468 1.00 0.00 ATOM 808 C LYS 99 6.629 6.281 -7.789 1.00 0.00 ATOM 809 N VAL 100 5.883 5.248 -8.236 1.00 0.00 ATOM 810 CA VAL 100 4.434 5.390 -8.403 1.00 0.00 ATOM 811 CB VAL 100 3.962 4.832 -9.758 1.00 0.00 ATOM 812 CG1 VAL 100 2.451 4.956 -9.887 1.00 0.00 ATOM 813 CG2 VAL 100 4.607 5.597 -10.902 1.00 0.00 ATOM 814 O VAL 100 4.113 3.451 -7.000 1.00 0.00 ATOM 815 C VAL 100 3.804 4.625 -7.232 1.00 0.00 ATOM 816 N VAL 101 2.895 5.286 -6.458 1.00 0.00 ATOM 817 CA VAL 101 2.234 4.637 -5.334 1.00 0.00 ATOM 818 CB VAL 101 2.189 5.528 -4.075 1.00 0.00 ATOM 819 CG1 VAL 101 1.336 4.854 -3.010 1.00 0.00 ATOM 820 CG2 VAL 101 3.602 5.802 -3.609 1.00 0.00 ATOM 821 O VAL 101 0.062 5.312 -6.128 1.00 0.00 ATOM 822 C VAL 101 0.751 4.419 -5.627 1.00 0.00 ATOM 823 N THR 102 0.263 3.228 -5.280 1.00 0.00 ATOM 824 CA THR 102 -1.167 2.945 -5.439 1.00 0.00 ATOM 825 CB THR 102 -1.392 1.865 -6.524 1.00 0.00 ATOM 826 CG2 THR 102 -0.630 2.195 -7.796 1.00 0.00 ATOM 827 OG1 THR 102 -0.930 0.604 -6.027 1.00 0.00 ATOM 828 O THR 102 -1.196 1.743 -3.401 1.00 0.00 ATOM 829 C THR 102 -1.697 2.658 -4.081 1.00 0.00 ATOM 830 N ILE 103 -2.681 3.467 -3.617 1.00 0.00 ATOM 831 CA ILE 103 -3.224 3.255 -2.270 1.00 0.00 ATOM 832 CB ILE 103 -3.732 4.587 -1.688 1.00 0.00 ATOM 833 CG1 ILE 103 -2.602 5.623 -1.677 1.00 0.00 ATOM 834 CG2 ILE 103 -4.257 4.361 -0.271 1.00 0.00 ATOM 835 CD1 ILE 103 -1.451 5.294 -0.731 1.00 0.00 ATOM 836 O ILE 103 -5.238 2.324 -3.220 1.00 0.00 ATOM 837 C ILE 103 -4.318 2.179 -2.381 1.00 0.00 ATOM 838 N SER 104 -4.279 1.145 -1.564 1.00 0.00 ATOM 839 CA SER 104 -5.331 0.136 -1.495 1.00 0.00 ATOM 840 CB SER 104 -4.654 -1.220 -1.286 1.00 0.00 ATOM 841 OG SER 104 -5.607 -2.267 -1.264 1.00 0.00 ATOM 842 O SER 104 -5.858 0.398 0.889 1.00 0.00 ATOM 843 C SER 104 -6.196 0.580 -0.277 1.00 0.00 ATOM 844 N ALA 105 -7.246 1.342 -0.582 1.00 0.00 ATOM 845 CA ALA 105 -8.146 1.868 0.472 1.00 0.00 ATOM 846 CB ALA 105 -8.287 3.379 0.358 1.00 0.00 ATOM 847 O ALA 105 -10.116 1.155 1.635 1.00 0.00 ATOM 848 C ALA 105 -9.590 1.403 0.539 1.00 0.00 ATOM 849 N GLY 106 -10.337 1.243 -0.643 1.00 0.00 ATOM 850 CA GLY 106 -11.724 0.791 -0.666 1.00 0.00 ATOM 851 O GLY 106 -13.889 1.272 0.270 1.00 0.00 ATOM 852 C GLY 106 -12.669 1.226 0.464 1.00 0.00 ATOM 853 N ARG 107 -12.100 1.584 1.617 1.00 0.00 ATOM 854 CA ARG 107 -12.867 1.980 2.800 1.00 0.00 ATOM 855 CB ARG 107 -12.721 0.899 3.883 1.00 0.00 ATOM 856 CG ARG 107 -13.395 -0.446 3.452 1.00 0.00 ATOM 857 CD ARG 107 -13.420 -1.360 4.729 1.00 0.00 ATOM 858 NE ARG 107 -12.098 -1.706 5.222 1.00 0.00 ATOM 859 CZ ARG 107 -11.406 -1.151 6.209 1.00 0.00 ATOM 860 NH1 ARG 107 -11.918 -0.155 6.984 1.00 0.00 ATOM 861 NH2 ARG 107 -10.177 -1.551 6.559 1.00 0.00 ATOM 862 O ARG 107 -13.398 4.010 4.030 1.00 0.00 ATOM 863 C ARG 107 -12.696 3.476 3.163 1.00 0.00 ATOM 864 N ASP 108 -11.756 4.150 2.515 1.00 0.00 ATOM 865 CA ASP 108 -11.530 5.560 2.820 1.00 0.00 ATOM 866 CB ASP 108 -12.771 6.363 2.426 1.00 0.00 ATOM 867 CG ASP 108 -12.937 6.481 0.923 1.00 0.00 ATOM 868 OD1 ASP 108 -11.971 6.173 0.194 1.00 0.00 ATOM 869 OD2 ASP 108 -14.033 6.879 0.477 1.00 0.00 ATOM 870 O ASP 108 -11.528 6.833 4.861 1.00 0.00 ATOM 871 C ASP 108 -11.284 5.751 4.317 1.00 0.00 ATOM 872 N GLU 109 -10.758 4.686 4.975 1.00 0.00 ATOM 873 CA GLU 109 -10.474 4.750 6.406 1.00 0.00 ATOM 874 CB GLU 109 -10.911 3.461 7.086 1.00 0.00 ATOM 875 CG GLU 109 -12.412 3.230 7.054 1.00 0.00 ATOM 876 CD GLU 109 -13.192 4.395 7.637 1.00 0.00 ATOM 877 OE1 GLU 109 -12.773 4.927 8.687 1.00 0.00 ATOM 878 OE2 GLU 109 -14.228 4.777 7.053 1.00 0.00 ATOM 879 O GLU 109 -8.708 5.339 7.909 1.00 0.00 ATOM 880 C GLU 109 -9.047 5.183 6.739 1.00 0.00 ATOM 881 N GLY 110 -8.190 5.247 5.628 1.00 0.00 ATOM 882 CA GLY 110 -6.781 5.518 5.863 1.00 0.00 ATOM 883 O GLY 110 -6.405 4.476 3.758 1.00 0.00 ATOM 884 C GLY 110 -5.899 4.998 4.745 1.00 0.00 ATOM 885 N PRO 111 -4.587 5.104 4.913 1.00 0.00 ATOM 886 CA PRO 111 -3.927 5.684 6.082 1.00 0.00 ATOM 887 CB PRO 111 -2.463 5.283 5.925 1.00 0.00 ATOM 888 CG PRO 111 -2.298 4.788 4.496 1.00 0.00 ATOM 889 CD PRO 111 -3.649 4.440 3.979 1.00 0.00 ATOM 890 O PRO 111 -3.978 7.827 5.003 1.00 0.00 ATOM 891 C PRO 111 -3.940 7.188 6.054 1.00 0.00 ATOM 892 N ASP 112 -3.837 7.758 7.243 1.00 0.00 ATOM 893 CA ASP 112 -3.687 9.181 7.461 1.00 0.00 ATOM 894 CB ASP 112 -3.670 9.491 8.960 1.00 0.00 ATOM 895 CG ASP 112 -3.737 10.977 9.248 1.00 0.00 ATOM 896 OD1 ASP 112 -3.918 11.760 8.292 1.00 0.00 ATOM 897 OD2 ASP 112 -3.609 11.360 10.431 1.00 0.00 ATOM 898 O ASP 112 -1.520 8.748 6.442 1.00 0.00 ATOM 899 C ASP 112 -2.342 9.597 6.816 1.00 0.00 ATOM 900 N ARG 113 -1.745 10.883 6.508 1.00 0.00 ATOM 901 CA ARG 113 -0.506 11.339 5.873 1.00 0.00 ATOM 902 CB ARG 113 -0.395 12.838 5.859 1.00 0.00 ATOM 903 CG ARG 113 0.788 13.351 5.054 1.00 0.00 ATOM 904 CD ARG 113 0.783 14.871 4.902 1.00 0.00 ATOM 905 NE ARG 113 1.394 15.569 6.032 1.00 0.00 ATOM 906 CZ ARG 113 0.825 15.733 7.223 1.00 0.00 ATOM 907 NH1 ARG 113 -0.387 15.251 7.462 1.00 0.00 ATOM 908 NH2 ARG 113 1.474 16.386 8.179 1.00 0.00 ATOM 909 O ARG 113 1.664 10.305 6.133 1.00 0.00 ATOM 910 C ARG 113 0.690 10.900 6.674 1.00 0.00 ATOM 911 N ASP 114 0.633 11.090 7.984 1.00 0.00 ATOM 912 CA ASP 114 1.736 10.666 8.837 1.00 0.00 ATOM 913 CB ASP 114 1.497 11.111 10.282 1.00 0.00 ATOM 914 CG ASP 114 1.662 12.607 10.465 1.00 0.00 ATOM 915 OD1 ASP 114 2.197 13.263 9.547 1.00 0.00 ATOM 916 OD2 ASP 114 1.258 13.122 11.529 1.00 0.00 ATOM 917 O ASP 114 2.996 8.629 8.631 1.00 0.00 ATOM 918 C ASP 114 1.890 9.144 8.799 1.00 0.00 ATOM 919 N ILE 115 0.773 8.431 8.888 1.00 0.00 ATOM 920 CA ILE 115 0.797 6.972 8.844 1.00 0.00 ATOM 921 CB ILE 115 -0.572 6.376 9.226 1.00 0.00 ATOM 922 CG1 ILE 115 -0.876 6.644 10.702 1.00 0.00 ATOM 923 CG2 ILE 115 -0.580 4.873 8.999 1.00 0.00 ATOM 924 CD1 ILE 115 -2.302 6.327 11.098 1.00 0.00 ATOM 925 O ILE 115 1.944 5.498 7.342 1.00 0.00 ATOM 926 C ILE 115 1.209 6.478 7.458 1.00 0.00 ATOM 927 N ILE 116 0.756 7.166 6.349 1.00 0.00 ATOM 928 CA ILE 116 1.160 6.760 5.003 1.00 0.00 ATOM 929 CB ILE 116 0.511 7.662 3.937 1.00 0.00 ATOM 930 CG1 ILE 116 -1.009 7.486 3.946 1.00 0.00 ATOM 931 CG2 ILE 116 1.028 7.309 2.553 1.00 0.00 ATOM 932 CD1 ILE 116 -1.748 8.520 3.124 1.00 0.00 ATOM 933 O ILE 116 3.311 5.878 4.390 1.00 0.00 ATOM 934 C ILE 116 2.681 6.821 4.871 1.00 0.00 ATOM 935 N TRP 117 3.276 7.913 5.338 1.00 0.00 ATOM 936 CA TRP 117 4.726 8.045 5.273 1.00 0.00 ATOM 937 CB TRP 117 5.164 9.423 5.774 1.00 0.00 ATOM 938 CG TRP 117 6.647 9.625 5.757 1.00 0.00 ATOM 939 CD1 TRP 117 7.476 9.703 6.838 1.00 0.00 ATOM 940 CD2 TRP 117 7.480 9.774 4.600 1.00 0.00 ATOM 941 CE2 TRP 117 8.803 9.939 5.058 1.00 0.00 ATOM 942 CE3 TRP 117 7.237 9.783 3.224 1.00 0.00 ATOM 943 NE1 TRP 117 8.773 9.892 6.430 1.00 0.00 ATOM 944 CZ2 TRP 117 9.879 10.111 4.188 1.00 0.00 ATOM 945 CZ3 TRP 117 8.307 9.955 2.365 1.00 0.00 ATOM 946 CH2 TRP 117 9.611 10.116 2.846 1.00 0.00 ATOM 947 O TRP 117 6.421 6.415 5.738 1.00 0.00 ATOM 948 C TRP 117 5.402 6.979 6.131 1.00 0.00 ATOM 949 N GLU 118 4.890 6.769 7.338 1.00 0.00 ATOM 950 CA GLU 118 5.464 5.769 8.234 1.00 0.00 ATOM 951 CB GLU 118 4.661 5.688 9.532 1.00 0.00 ATOM 952 CG GLU 118 5.217 4.703 10.547 1.00 0.00 ATOM 953 CD GLU 118 4.414 4.674 11.833 1.00 0.00 ATOM 954 OE1 GLU 118 3.429 5.435 11.936 1.00 0.00 ATOM 955 OE2 GLU 118 4.770 3.890 12.738 1.00 0.00 ATOM 956 O GLU 118 6.418 3.655 7.603 1.00 0.00 ATOM 957 C GLU 118 5.433 4.396 7.578 1.00 0.00 ATOM 958 N MET 119 4.311 4.074 6.939 1.00 0.00 ATOM 959 CA MET 119 4.142 2.795 6.267 1.00 0.00 ATOM 960 CB MET 119 2.859 2.702 5.496 1.00 0.00 ATOM 961 CG MET 119 1.627 2.615 6.365 1.00 0.00 ATOM 962 SD MET 119 0.089 2.660 5.386 1.00 0.00 ATOM 963 CE MET 119 0.433 1.468 4.131 1.00 0.00 ATOM 964 O MET 119 5.806 1.616 4.992 1.00 0.00 ATOM 965 C MET 119 5.114 2.632 5.091 1.00 0.00 ATOM 966 N PHE 120 5.187 3.630 4.260 1.00 0.00 ATOM 967 CA PHE 120 6.082 3.552 3.114 1.00 0.00 ATOM 968 CB PHE 120 5.812 4.765 2.132 1.00 0.00 ATOM 969 CG PHE 120 6.884 4.853 1.029 1.00 0.00 ATOM 970 CD1 PHE 120 6.784 4.042 -0.083 1.00 0.00 ATOM 971 CD2 PHE 120 7.957 5.737 1.105 1.00 0.00 ATOM 972 CE1 PHE 120 7.740 4.072 -1.088 1.00 0.00 ATOM 973 CE2 PHE 120 8.940 5.748 0.124 1.00 0.00 ATOM 974 CZ PHE 120 8.826 4.919 -0.975 1.00 0.00 ATOM 975 O PHE 120 8.313 2.802 2.906 1.00 0.00 ATOM 976 C PHE 120 7.545 3.548 3.474 1.00 0.00 ATOM 977 N LEU 121 7.957 4.347 4.479 1.00 0.00 ATOM 978 CA LEU 121 9.334 4.383 4.871 1.00 0.00 ATOM 979 CB LEU 121 9.559 5.468 5.926 1.00 0.00 ATOM 980 CG LEU 121 11.001 5.669 6.397 1.00 0.00 ATOM 981 CD1 LEU 121 11.894 6.069 5.231 1.00 0.00 ATOM 982 CD2 LEU 121 11.077 6.762 7.451 1.00 0.00 ATOM 983 O LEU 121 10.749 2.451 4.951 1.00 0.00 ATOM 984 C LEU 121 9.731 2.996 5.370 1.00 0.00 ATOM 985 N GLU 122 8.916 2.422 6.232 1.00 0.00 ATOM 986 CA GLU 122 9.208 1.094 6.766 1.00 0.00 ATOM 987 CB GLU 122 8.226 0.719 7.879 1.00 0.00 ATOM 988 CG GLU 122 8.377 1.545 9.145 1.00 0.00 ATOM 989 CD GLU 122 7.312 1.231 10.177 1.00 0.00 ATOM 990 OE1 GLU 122 6.412 0.419 9.873 1.00 0.00 ATOM 991 OE2 GLU 122 7.375 1.795 11.288 1.00 0.00 ATOM 992 O GLU 122 9.975 -0.847 5.573 1.00 0.00 ATOM 993 C GLU 122 9.136 0.051 5.652 1.00 0.00 ATOM 994 N ASN 123 8.165 0.212 4.748 1.00 0.00 ATOM 995 CA ASN 123 8.023 -0.726 3.652 1.00 0.00 ATOM 996 CB ASN 123 6.760 -0.419 2.845 1.00 0.00 ATOM 997 CG ASN 123 6.450 -1.489 1.818 1.00 0.00 ATOM 998 ND2 ASN 123 6.479 -1.112 0.544 1.00 0.00 ATOM 999 OD1 ASN 123 6.189 -2.642 2.166 1.00 0.00 ATOM 1000 O ASN 123 9.549 -1.726 2.132 1.00 0.00 ATOM 1001 C ASN 123 9.207 -0.686 2.707 1.00 0.00 ATOM 1002 N LEU 124 9.785 0.458 2.466 1.00 0.00 ATOM 1003 CA LEU 124 10.890 0.598 1.566 1.00 0.00 ATOM 1004 CB LEU 124 11.293 2.068 1.439 1.00 0.00 ATOM 1005 CG LEU 124 12.448 2.373 0.482 1.00 0.00 ATOM 1006 CD1 LEU 124 12.094 1.958 -0.938 1.00 0.00 ATOM 1007 CD2 LEU 124 12.763 3.862 0.477 1.00 0.00 ATOM 1008 O LEU 124 12.762 -0.877 1.304 1.00 0.00 ATOM 1009 C LEU 124 12.093 -0.208 2.086 1.00 0.00 ATOM 1010 N GLU 125 12.349 -0.165 3.387 1.00 0.00 ATOM 1011 CA GLU 125 13.477 -0.935 3.944 1.00 0.00 ATOM 1012 CB GLU 125 13.636 -0.647 5.439 1.00 0.00 ATOM 1013 CG GLU 125 13.986 0.799 5.758 1.00 0.00 ATOM 1014 CD GLU 125 14.045 1.067 7.249 1.00 0.00 ATOM 1015 OE1 GLU 125 13.794 0.128 8.033 1.00 0.00 ATOM 1016 OE2 GLU 125 14.343 2.217 7.634 1.00 0.00 ATOM 1017 O GLU 125 14.206 -3.171 3.462 1.00 0.00 ATOM 1018 C GLU 125 13.260 -2.424 3.773 1.00 0.00 TER END