PFRMAT TS TARGET T0322 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 10 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 O_NOTOR2 an alphabet for predicting chracteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting chracteristics of hydrogen METHOD bonds from the amide nitrogen 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 The automatic prediction for T0322 was pretty good, so we just METHOD reoptimized it in a dimer context (dimer based on 2fs2[AB]). METHOD METHOD Model 1 is chain A from dimer/try3-opt2 (optimized without constraints). METHOD METHOD Model 2 is chain A from dimer/try2-opt2 (optimized with sheet METHOD constraints, including one between the monomers). METHOD METHOD Model 3 is chain A from dimer/try1-opt2 (optimized with sheet METHOD constraints, including one between the monomers). METHOD METHOD Model 4 is try1-opt2, the monomer created automatically. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fs2A. REMARK 6 REMARK 6 T0322 model 5 Tue Jun 27 12:40:06 2006 MODEL 5 PARENT 2fs2_A ATOM 1 N MET 1 -24.084 7.180 -3.838 1.00 0.00 ATOM 2 CA MET 1 -22.671 7.343 -4.283 1.00 0.00 ATOM 3 CB MET 1 -22.147 6.041 -4.890 1.00 0.00 ATOM 4 CG MET 1 -20.676 6.082 -5.273 1.00 0.00 ATOM 5 SD MET 1 -20.100 4.530 -5.987 1.00 0.00 ATOM 6 CE MET 1 -20.856 4.601 -7.609 1.00 0.00 ATOM 7 O MET 1 -23.304 8.478 -6.297 1.00 0.00 ATOM 8 C MET 1 -22.525 8.438 -5.340 1.00 0.00 ATOM 9 N LEU 5 -21.528 9.330 -5.173 1.00 0.00 ATOM 10 CA LEU 5 -21.116 10.197 -6.283 1.00 0.00 ATOM 11 CB LEU 5 -20.007 11.151 -5.834 1.00 0.00 ATOM 12 CG LEU 5 -20.385 12.172 -4.760 1.00 0.00 ATOM 13 CD1 LEU 5 -19.158 12.942 -4.296 1.00 0.00 ATOM 14 CD2 LEU 5 -21.396 13.171 -5.301 1.00 0.00 ATOM 15 O LEU 5 -20.510 8.137 -7.361 1.00 0.00 ATOM 16 C LEU 5 -20.587 9.364 -7.458 1.00 0.00 ATOM 17 N THR 6 -20.239 10.017 -8.562 1.00 0.00 ATOM 18 CA THR 6 -19.724 9.307 -9.731 1.00 0.00 ATOM 19 CB THR 6 -19.386 10.280 -10.877 1.00 0.00 ATOM 20 CG2 THR 6 -20.642 10.989 -11.360 1.00 0.00 ATOM 21 OG1 THR 6 -18.448 11.260 -10.416 1.00 0.00 ATOM 22 O THR 6 -17.706 8.984 -8.486 1.00 0.00 ATOM 23 C THR 6 -18.452 8.547 -9.363 1.00 0.00 ATOM 24 N ASP 7 -18.212 7.413 -10.026 1.00 0.00 ATOM 25 CA ASP 7 -17.022 6.597 -9.755 1.00 0.00 ATOM 26 CB ASP 7 -16.911 5.458 -10.769 1.00 0.00 ATOM 27 CG ASP 7 -17.943 4.370 -10.542 1.00 0.00 ATOM 28 OD1 ASP 7 -18.592 4.384 -9.475 1.00 0.00 ATOM 29 OD2 ASP 7 -18.102 3.507 -11.430 1.00 0.00 ATOM 30 O ASP 7 -14.850 7.287 -8.983 1.00 0.00 ATOM 31 C ASP 7 -15.738 7.425 -9.837 1.00 0.00 ATOM 32 N ALA 8 -15.648 8.284 -10.852 1.00 0.00 ATOM 33 CA ALA 8 -14.459 9.115 -11.068 1.00 0.00 ATOM 34 CB ALA 8 -14.679 10.060 -12.241 1.00 0.00 ATOM 35 O ALA 8 -12.958 10.387 -9.690 1.00 0.00 ATOM 36 C ALA 8 -14.104 9.977 -9.853 1.00 0.00 ATOM 37 N GLN 9 -15.093 10.233 -9.001 1.00 0.00 ATOM 38 CA GLN 9 -14.910 11.066 -7.808 1.00 0.00 ATOM 39 CB GLN 9 -16.249 11.648 -7.353 1.00 0.00 ATOM 40 CG GLN 9 -16.899 12.576 -8.364 1.00 0.00 ATOM 41 CD GLN 9 -16.037 13.781 -8.688 1.00 0.00 ATOM 42 OE1 GLN 9 -15.484 14.419 -7.793 1.00 0.00 ATOM 43 NE2 GLN 9 -15.921 14.097 -9.973 1.00 0.00 ATOM 44 O GLN 9 -13.898 10.816 -5.618 1.00 0.00 ATOM 45 C GLN 9 -14.323 10.256 -6.637 1.00 0.00 ATOM 46 N THR 10 -14.302 8.935 -6.783 1.00 0.00 ATOM 47 CA THR 10 -13.930 8.055 -5.680 1.00 0.00 ATOM 48 CB THR 10 -15.029 7.015 -5.392 1.00 0.00 ATOM 49 CG2 THR 10 -16.327 7.705 -5.003 1.00 0.00 ATOM 50 OG1 THR 10 -15.258 6.221 -6.563 1.00 0.00 ATOM 51 O THR 10 -12.286 6.408 -5.108 1.00 0.00 ATOM 52 C THR 10 -12.654 7.264 -5.927 1.00 0.00 ATOM 53 N ALA 11 -12.008 7.507 -7.062 1.00 0.00 ATOM 54 CA ALA 11 -10.869 6.688 -7.465 1.00 0.00 ATOM 55 CB ALA 11 -11.209 5.881 -8.708 1.00 0.00 ATOM 56 O ALA 11 -9.782 8.761 -7.988 1.00 0.00 ATOM 57 C ALA 11 -9.657 7.551 -7.776 1.00 0.00 ATOM 58 N ALA 12 -8.489 6.925 -7.786 1.00 0.00 ATOM 59 CA ALA 12 -7.241 7.602 -8.143 1.00 0.00 ATOM 60 CB ALA 12 -6.382 7.815 -6.906 1.00 0.00 ATOM 61 O ALA 12 -6.898 5.553 -9.341 1.00 0.00 ATOM 62 C ALA 12 -6.506 6.707 -9.147 1.00 0.00 ATOM 63 N GLU 15 -5.434 7.213 -9.749 1.00 0.00 ATOM 64 CA GLU 15 -4.616 6.387 -10.640 1.00 0.00 ATOM 65 CB GLU 15 -3.397 7.171 -11.129 1.00 0.00 ATOM 66 CG GLU 15 -3.727 8.283 -12.110 1.00 0.00 ATOM 67 CD GLU 15 -2.515 9.115 -12.478 1.00 0.00 ATOM 68 OE1 GLU 15 -1.430 8.868 -11.909 1.00 0.00 ATOM 69 OE2 GLU 15 -2.647 10.014 -13.335 1.00 0.00 ATOM 70 O GLU 15 -4.149 4.033 -10.442 1.00 0.00 ATOM 71 C GLU 15 -4.134 5.139 -9.896 1.00 0.00 ATOM 72 N GLY 16 -3.727 5.314 -8.639 1.00 0.00 ATOM 73 CA GLY 16 -3.206 4.175 -7.893 1.00 0.00 ATOM 74 O GLY 16 -4.077 1.941 -7.638 1.00 0.00 ATOM 75 C GLY 16 -4.299 3.156 -7.535 1.00 0.00 ATOM 76 N PHE 17 -5.483 3.626 -7.148 1.00 0.00 ATOM 77 CA PHE 17 -6.553 2.681 -6.822 1.00 0.00 ATOM 78 CB PHE 17 -7.791 3.426 -6.320 1.00 0.00 ATOM 79 CG PHE 17 -8.940 2.524 -5.969 1.00 0.00 ATOM 80 CD1 PHE 17 -8.960 1.837 -4.768 1.00 0.00 ATOM 81 CD2 PHE 17 -10.003 2.362 -6.841 1.00 0.00 ATOM 82 CE1 PHE 17 -10.017 1.008 -4.446 1.00 0.00 ATOM 83 CE2 PHE 17 -11.060 1.531 -6.519 1.00 0.00 ATOM 84 CZ PHE 17 -11.069 0.856 -5.327 1.00 0.00 ATOM 85 O PHE 17 -7.170 0.699 -8.012 1.00 0.00 ATOM 86 C PHE 17 -6.918 1.888 -8.078 1.00 0.00 ATOM 87 N SER 18 -6.888 2.539 -9.229 1.00 0.00 ATOM 88 CA SER 18 -7.137 1.851 -10.509 1.00 0.00 ATOM 89 CB SER 18 -7.140 2.854 -11.664 1.00 0.00 ATOM 90 OG SER 18 -8.231 3.752 -11.557 1.00 0.00 ATOM 91 O SER 18 -6.438 -0.298 -11.345 1.00 0.00 ATOM 92 C SER 18 -6.094 0.789 -10.851 1.00 0.00 ATOM 93 N GLN 19 -4.830 1.110 -10.579 1.00 0.00 ATOM 94 CA GLN 19 -3.706 0.213 -10.823 1.00 0.00 ATOM 95 CB GLN 19 -2.391 0.875 -10.405 1.00 0.00 ATOM 96 CG GLN 19 -1.956 2.016 -11.310 1.00 0.00 ATOM 97 CD GLN 19 -0.725 2.732 -10.792 1.00 0.00 ATOM 98 OE1 GLN 19 -0.228 2.431 -9.706 1.00 0.00 ATOM 99 NE2 GLN 19 -0.226 3.687 -11.570 1.00 0.00 ATOM 100 O GLN 19 -3.765 -2.181 -10.545 1.00 0.00 ATOM 101 C GLN 19 -3.887 -1.073 -10.019 1.00 0.00 ATOM 102 N LEU 20 -4.194 -0.917 -8.739 1.00 0.00 ATOM 103 CA LEU 20 -4.340 -2.082 -7.873 1.00 0.00 ATOM 104 CB LEU 20 -4.473 -1.648 -6.411 1.00 0.00 ATOM 105 CG LEU 20 -4.495 -2.771 -5.372 1.00 0.00 ATOM 106 CD1 LEU 20 -3.213 -3.586 -5.432 1.00 0.00 ATOM 107 CD2 LEU 20 -4.630 -2.199 -3.967 1.00 0.00 ATOM 108 O LEU 20 -5.633 -4.123 -8.064 1.00 0.00 ATOM 109 C LEU 20 -5.593 -2.895 -8.248 1.00 0.00 ATOM 110 N ASN 21 -6.605 -2.203 -8.771 1.00 0.00 ATOM 111 CA ASN 21 -7.870 -2.823 -9.165 1.00 0.00 ATOM 112 CB ASN 21 -7.684 -4.326 -9.389 1.00 0.00 ATOM 113 CG ASN 21 -6.864 -4.634 -10.626 1.00 0.00 ATOM 114 ND2 ASN 21 -6.234 -5.802 -10.640 1.00 0.00 ATOM 115 OD1 ASN 21 -6.801 -3.830 -11.556 1.00 0.00 ATOM 116 O ASN 21 -9.919 -3.467 -8.080 1.00 0.00 ATOM 117 C ASN 21 -8.970 -2.664 -8.129 1.00 0.00 ATOM 118 N LEU 33 -8.859 -1.612 -7.315 1.00 0.00 ATOM 119 CA LEU 33 -9.842 -1.346 -6.264 1.00 0.00 ATOM 120 CB LEU 33 -9.318 -0.285 -5.293 1.00 0.00 ATOM 121 CG LEU 33 -8.089 -0.670 -4.467 1.00 0.00 ATOM 122 CD1 LEU 33 -7.609 0.510 -3.637 1.00 0.00 ATOM 123 CD2 LEU 33 -8.416 -1.815 -3.521 1.00 0.00 ATOM 124 O LEU 33 -11.091 -0.025 -7.807 1.00 0.00 ATOM 125 C LEU 33 -11.124 -0.849 -6.908 1.00 0.00 ATOM 126 N PHE 34 -12.242 -1.271 -6.352 1.00 0.00 ATOM 127 CA PHE 34 -13.509 -1.031 -6.970 1.00 0.00 ATOM 128 CB PHE 34 -13.999 -2.288 -7.694 1.00 0.00 ATOM 129 CG PHE 34 -15.231 -2.068 -8.523 1.00 0.00 ATOM 130 CD1 PHE 34 -15.135 -1.596 -9.821 1.00 0.00 ATOM 131 CD2 PHE 34 -16.488 -2.332 -8.007 1.00 0.00 ATOM 132 CE1 PHE 34 -16.269 -1.394 -10.585 1.00 0.00 ATOM 133 CE2 PHE 34 -17.622 -2.130 -8.770 1.00 0.00 ATOM 134 CZ PHE 34 -17.517 -1.663 -10.053 1.00 0.00 ATOM 135 O PHE 34 -14.962 -1.512 -5.123 1.00 0.00 ATOM 136 C PHE 34 -14.513 -0.645 -5.873 1.00 0.00 ATOM 137 N GLU 35 -14.855 0.661 -5.757 1.00 0.00 ATOM 138 CA GLU 35 -15.838 1.058 -4.730 1.00 0.00 ATOM 139 CB GLU 35 -16.128 2.558 -4.817 1.00 0.00 ATOM 140 CG GLU 35 -17.088 3.067 -3.755 1.00 0.00 ATOM 141 CD GLU 35 -17.311 4.563 -3.840 1.00 0.00 ATOM 142 OE1 GLU 35 -16.714 5.204 -4.732 1.00 0.00 ATOM 143 OE2 GLU 35 -18.082 5.098 -3.014 1.00 0.00 ATOM 144 O GLU 35 -17.573 0.101 -6.061 1.00 0.00 ATOM 145 C GLU 35 -17.151 0.307 -4.917 1.00 0.00 ATOM 146 N HIS 36 -17.761 -0.115 -3.808 1.00 0.00 ATOM 147 CA HIS 36 -19.020 -0.875 -3.827 1.00 0.00 ATOM 148 CB HIS 36 -18.892 -2.141 -2.976 1.00 0.00 ATOM 149 CG HIS 36 -20.101 -3.024 -3.023 1.00 0.00 ATOM 150 CD2 HIS 36 -21.171 -3.369 -2.098 1.00 0.00 ATOM 151 ND1 HIS 36 -20.437 -3.766 -4.134 1.00 0.00 ATOM 152 CE1 HIS 36 -21.564 -4.455 -3.875 1.00 0.00 ATOM 153 NE2 HIS 36 -22.009 -4.220 -2.655 1.00 0.00 ATOM 154 O HIS 36 -21.248 0.038 -3.898 1.00 0.00 ATOM 155 C HIS 36 -20.176 -0.046 -3.271 1.00 0.00 ATOM 156 N ARG 37 -19.976 0.560 -2.100 1.00 0.00 ATOM 157 CA ARG 37 -21.033 1.357 -1.476 1.00 0.00 ATOM 158 CB ARG 37 -22.010 0.454 -0.720 1.00 0.00 ATOM 159 CG ARG 37 -21.393 -0.275 0.464 1.00 0.00 ATOM 160 CD ARG 37 -22.425 -1.119 1.191 1.00 0.00 ATOM 161 NE ARG 37 -21.822 -1.934 2.244 1.00 0.00 ATOM 162 CZ ARG 37 -21.591 -1.503 3.481 1.00 0.00 ATOM 163 NH1 ARG 37 -21.039 -2.315 4.373 1.00 0.00 ATOM 164 NH2 ARG 37 -21.911 -0.263 3.823 1.00 0.00 ATOM 165 O ARG 37 -19.339 2.272 -0.046 1.00 0.00 ATOM 166 C ARG 37 -20.485 2.369 -0.481 1.00 0.00 ATOM 167 N GLU 38 -21.326 3.334 -0.140 1.00 0.00 ATOM 168 CA GLU 38 -21.033 4.333 0.883 1.00 0.00 ATOM 169 CB GLU 38 -20.643 5.664 0.236 1.00 0.00 ATOM 170 CG GLU 38 -19.348 5.611 -0.558 1.00 0.00 ATOM 171 CD GLU 38 -18.986 6.947 -1.175 1.00 0.00 ATOM 172 OE1 GLU 38 -19.798 7.478 -1.962 1.00 0.00 ATOM 173 OE2 GLU 38 -17.892 7.467 -0.869 1.00 0.00 ATOM 174 O GLU 38 -23.399 4.554 1.219 1.00 0.00 ATOM 175 C GLU 38 -22.272 4.536 1.737 1.00 0.00 ATOM 176 N GLY 39 -22.059 4.710 3.034 1.00 0.00 ATOM 177 CA GLY 39 -23.120 5.030 3.968 1.00 0.00 ATOM 178 O GLY 39 -21.881 7.034 4.290 1.00 0.00 ATOM 179 C GLY 39 -22.689 6.249 4.755 1.00 0.00 ATOM 180 N PRO 40 -23.252 6.415 5.937 1.00 0.00 ATOM 181 CA PRO 40 -22.950 7.565 6.766 1.00 0.00 ATOM 182 CB PRO 40 -24.204 7.743 7.625 1.00 0.00 ATOM 183 CG PRO 40 -24.796 6.376 7.709 1.00 0.00 ATOM 184 CD PRO 40 -24.440 5.686 6.423 1.00 0.00 ATOM 185 O PRO 40 -21.831 6.652 8.679 1.00 0.00 ATOM 186 C PRO 40 -21.714 7.229 7.587 1.00 0.00 ATOM 187 N GLY 41 -20.543 7.588 7.061 1.00 0.00 ATOM 188 CA GLY 41 -19.268 7.301 7.738 1.00 0.00 ATOM 189 O GLY 41 -18.141 5.308 8.417 1.00 0.00 ATOM 190 C GLY 41 -18.857 5.844 7.583 1.00 0.00 ATOM 191 N GLN 42 -19.318 5.211 6.508 1.00 0.00 ATOM 192 CA GLN 42 -18.994 3.811 6.221 1.00 0.00 ATOM 193 CB GLN 42 -20.111 2.892 6.718 1.00 0.00 ATOM 194 CG GLN 42 -19.832 1.411 6.515 1.00 0.00 ATOM 195 CD GLN 42 -20.942 0.530 7.053 1.00 0.00 ATOM 196 OE1 GLN 42 -21.898 1.018 7.657 1.00 0.00 ATOM 197 NE2 GLN 42 -20.819 -0.774 6.835 1.00 0.00 ATOM 198 O GLN 42 -19.547 4.260 3.914 1.00 0.00 ATOM 199 C GLN 42 -18.831 3.632 4.705 1.00 0.00 ATOM 200 N ALA 43 -17.872 2.800 4.307 1.00 0.00 ATOM 201 CA ALA 43 -17.643 2.507 2.899 1.00 0.00 ATOM 202 CB ALA 43 -16.521 3.378 2.351 1.00 0.00 ATOM 203 O ALA 43 -16.727 0.425 3.617 1.00 0.00 ATOM 204 C ALA 43 -17.256 1.058 2.701 1.00 0.00 ATOM 205 N ARG 44 -17.537 0.537 1.512 1.00 0.00 ATOM 206 CA ARG 44 -17.108 -0.802 1.140 1.00 0.00 ATOM 207 CB ARG 44 -18.307 -1.750 1.070 1.00 0.00 ATOM 208 CG ARG 44 -17.940 -3.195 0.780 1.00 0.00 ATOM 209 CD ARG 44 -19.177 -4.075 0.705 1.00 0.00 ATOM 210 NE ARG 44 -19.805 -4.250 2.013 1.00 0.00 ATOM 211 CZ ARG 44 -21.034 -4.721 2.194 1.00 0.00 ATOM 212 NH1 ARG 44 -21.523 -4.844 3.421 1.00 0.00 ATOM 213 NH2 ARG 44 -21.772 -5.070 1.150 1.00 0.00 ATOM 214 O ARG 44 -16.947 -0.085 -1.138 1.00 0.00 ATOM 215 C ARG 44 -16.438 -0.735 -0.220 1.00 0.00 ATOM 216 N LEU 45 -15.307 -1.425 -0.332 1.00 0.00 ATOM 217 CA LEU 45 -14.534 -1.505 -1.575 1.00 0.00 ATOM 218 CB LEU 45 -13.252 -0.679 -1.464 1.00 0.00 ATOM 219 CG LEU 45 -13.421 0.841 -1.474 1.00 0.00 ATOM 220 CD1 LEU 45 -13.902 1.339 -0.119 1.00 0.00 ATOM 221 CD2 LEU 45 -12.101 1.527 -1.792 1.00 0.00 ATOM 222 O LEU 45 -13.891 -3.708 -0.876 1.00 0.00 ATOM 223 C LEU 45 -14.175 -2.974 -1.832 1.00 0.00 ATOM 224 N ALA 46 -14.191 -3.407 -3.096 1.00 0.00 ATOM 225 CA ALA 46 -13.820 -4.789 -3.434 1.00 0.00 ATOM 226 CB ALA 46 -14.880 -5.420 -4.323 1.00 0.00 ATOM 227 O ALA 46 -12.125 -3.802 -4.809 1.00 0.00 ATOM 228 C ALA 46 -12.493 -4.799 -4.170 1.00 0.00 ATOM 229 N PHE 47 -11.791 -5.925 -4.080 1.00 0.00 ATOM 230 CA PHE 47 -10.503 -6.122 -4.743 1.00 0.00 ATOM 231 CB PHE 47 -9.353 -5.845 -3.773 1.00 0.00 ATOM 232 CG PHE 47 -7.996 -5.874 -4.416 1.00 0.00 ATOM 233 CD1 PHE 47 -7.520 -4.779 -5.115 1.00 0.00 ATOM 234 CD2 PHE 47 -7.195 -6.999 -4.321 1.00 0.00 ATOM 235 CE1 PHE 47 -6.271 -4.808 -5.707 1.00 0.00 ATOM 236 CE2 PHE 47 -5.946 -7.027 -4.913 1.00 0.00 ATOM 237 CZ PHE 47 -5.483 -5.939 -5.603 1.00 0.00 ATOM 238 O PHE 47 -10.245 -8.470 -4.410 1.00 0.00 ATOM 239 C PHE 47 -10.422 -7.563 -5.225 1.00 0.00 ATOM 240 N ARG 48 -10.563 -7.775 -6.546 1.00 0.00 ATOM 241 CA ARG 48 -10.382 -9.119 -7.096 1.00 0.00 ATOM 242 CB ARG 48 -10.987 -9.209 -8.498 1.00 0.00 ATOM 243 CG ARG 48 -12.501 -9.071 -8.532 1.00 0.00 ATOM 244 CD ARG 48 -13.031 -9.145 -9.954 1.00 0.00 ATOM 245 NE ARG 48 -12.637 -7.983 -10.746 1.00 0.00 ATOM 246 CZ ARG 48 -12.754 -7.907 -12.068 1.00 0.00 ATOM 247 NH1 ARG 48 -12.370 -6.809 -12.705 1.00 0.00 ATOM 248 NH2 ARG 48 -13.255 -8.927 -12.750 1.00 0.00 ATOM 249 O ARG 48 -8.066 -8.601 -7.512 1.00 0.00 ATOM 250 C ARG 48 -8.903 -9.475 -7.193 1.00 0.00 ATOM 251 N VAL 49 -8.568 -10.739 -6.908 1.00 0.00 ATOM 252 CA VAL 49 -7.191 -11.219 -7.107 1.00 0.00 ATOM 253 CB VAL 49 -7.052 -12.706 -6.729 1.00 0.00 ATOM 254 CG1 VAL 49 -7.406 -12.920 -5.265 1.00 0.00 ATOM 255 CG2 VAL 49 -7.983 -13.561 -7.577 1.00 0.00 ATOM 256 O VAL 49 -7.628 -11.175 -9.491 1.00 0.00 ATOM 257 C VAL 49 -6.795 -11.056 -8.576 1.00 0.00 ATOM 258 N GLU 50 -5.516 -10.767 -8.797 1.00 0.00 ATOM 259 CA GLU 50 -4.958 -10.729 -10.133 1.00 0.00 ATOM 260 CB GLU 50 -5.100 -9.328 -10.734 1.00 0.00 ATOM 261 CG GLU 50 -6.538 -8.896 -10.965 1.00 0.00 ATOM 262 CD GLU 50 -7.215 -9.687 -12.067 1.00 0.00 ATOM 263 OE1 GLU 50 -6.505 -10.387 -12.819 1.00 0.00 ATOM 264 OE2 GLU 50 -8.458 -9.606 -12.178 1.00 0.00 ATOM 265 O GLU 50 -2.905 -11.011 -8.954 1.00 0.00 ATOM 266 C GLU 50 -3.486 -11.102 -10.030 1.00 0.00 ATOM 267 N GLU 51 -2.897 -11.488 -11.158 1.00 0.00 ATOM 268 CA GLU 51 -1.512 -11.954 -11.187 1.00 0.00 ATOM 269 CB GLU 51 -1.051 -12.169 -12.630 1.00 0.00 ATOM 270 CG GLU 51 0.364 -12.712 -12.754 1.00 0.00 ATOM 271 CD GLU 51 0.764 -12.972 -14.194 1.00 0.00 ATOM 272 OE1 GLU 51 -0.073 -12.750 -15.093 1.00 0.00 ATOM 273 OE2 GLU 51 1.915 -13.399 -14.422 1.00 0.00 ATOM 274 O GLU 51 0.316 -11.296 -9.759 1.00 0.00 ATOM 275 C GLU 51 -0.579 -10.926 -10.532 1.00 0.00 ATOM 276 N HIS 52 -0.788 -9.643 -10.837 1.00 0.00 ATOM 277 CA HIS 52 0.122 -8.599 -10.375 1.00 0.00 ATOM 278 CB HIS 52 -0.091 -7.310 -11.170 1.00 0.00 ATOM 279 CG HIS 52 0.279 -7.425 -12.616 1.00 0.00 ATOM 280 CD2 HIS 52 -0.447 -7.428 -13.877 1.00 0.00 ATOM 281 ND1 HIS 52 1.583 -7.566 -13.041 1.00 0.00 ATOM 282 CE1 HIS 52 1.599 -7.642 -14.384 1.00 0.00 ATOM 283 NE2 HIS 52 0.385 -7.560 -14.893 1.00 0.00 ATOM 284 O HIS 52 0.658 -7.331 -8.409 1.00 0.00 ATOM 285 C HIS 52 -0.041 -8.227 -8.899 1.00 0.00 ATOM 286 N HIS 53 -0.946 -8.907 -8.190 1.00 0.00 ATOM 287 CA HIS 53 -1.092 -8.731 -6.739 1.00 0.00 ATOM 288 CB HIS 53 -2.566 -8.812 -6.336 1.00 0.00 ATOM 289 CG HIS 53 -3.411 -7.723 -6.917 1.00 0.00 ATOM 290 CD2 HIS 53 -4.485 -7.652 -7.897 1.00 0.00 ATOM 291 ND1 HIS 53 -3.279 -6.401 -6.548 1.00 0.00 ATOM 292 CE1 HIS 53 -4.169 -5.664 -7.235 1.00 0.00 ATOM 293 NE2 HIS 53 -4.896 -6.408 -8.045 1.00 0.00 ATOM 294 O HIS 53 -0.303 -9.727 -4.707 1.00 0.00 ATOM 295 C HIS 53 -0.342 -9.798 -5.937 1.00 0.00 ATOM 296 N THR 54 0.266 -10.772 -6.623 1.00 0.00 ATOM 297 CA THR 54 0.885 -11.885 -5.902 1.00 0.00 ATOM 298 CB THR 54 1.173 -13.074 -6.839 1.00 0.00 ATOM 299 CG2 THR 54 -0.119 -13.600 -7.446 1.00 0.00 ATOM 300 OG1 THR 54 2.045 -12.652 -7.896 1.00 0.00 ATOM 301 O THR 54 3.025 -10.733 -5.829 1.00 0.00 ATOM 302 C THR 54 2.220 -11.490 -5.257 1.00 0.00 ATOM 303 N ASN 55 2.423 -11.981 -4.038 1.00 0.00 ATOM 304 CA ASN 55 3.723 -11.838 -3.387 1.00 0.00 ATOM 305 CB ASN 55 3.556 -11.760 -1.868 1.00 0.00 ATOM 306 CG ASN 55 3.056 -13.060 -1.269 1.00 0.00 ATOM 307 ND2 ASN 55 2.688 -13.019 0.007 1.00 0.00 ATOM 308 OD1 ASN 55 3.000 -14.085 -1.947 1.00 0.00 ATOM 309 O ASN 55 4.207 -13.848 -4.625 1.00 0.00 ATOM 310 C ASN 55 4.583 -13.066 -3.750 1.00 0.00 ATOM 311 N GLY 56 5.729 -13.231 -3.100 1.00 0.00 ATOM 312 CA GLY 56 6.618 -14.342 -3.461 1.00 0.00 ATOM 313 O GLY 56 6.334 -16.716 -3.761 1.00 0.00 ATOM 314 C GLY 56 5.996 -15.709 -3.132 1.00 0.00 ATOM 315 N LEU 57 5.075 -15.722 -2.167 1.00 0.00 ATOM 316 CA LEU 57 4.348 -16.941 -1.786 1.00 0.00 ATOM 317 CB LEU 57 3.851 -16.838 -0.343 1.00 0.00 ATOM 318 CG LEU 57 4.928 -16.727 0.739 1.00 0.00 ATOM 319 CD1 LEU 57 4.296 -16.523 2.108 1.00 0.00 ATOM 320 CD2 LEU 57 5.773 -17.991 0.788 1.00 0.00 ATOM 321 O LEU 57 2.404 -18.205 -2.433 1.00 0.00 ATOM 322 C LEU 57 3.128 -17.221 -2.649 1.00 0.00 ATOM 323 N GLY 58 2.886 -16.360 -3.627 1.00 0.00 ATOM 324 CA GLY 58 1.775 -16.542 -4.557 1.00 0.00 ATOM 325 O GLY 58 -0.617 -16.497 -4.628 1.00 0.00 ATOM 326 C GLY 58 0.409 -16.149 -4.019 1.00 0.00 ATOM 327 N ASN 59 0.381 -15.420 -2.900 1.00 0.00 ATOM 328 CA ASN 59 -0.878 -14.922 -2.316 1.00 0.00 ATOM 329 CB ASN 59 -0.974 -15.309 -0.839 1.00 0.00 ATOM 330 CG ASN 59 -1.105 -16.807 -0.638 1.00 0.00 ATOM 331 ND2 ASN 59 -0.600 -17.297 0.489 1.00 0.00 ATOM 332 OD1 ASN 59 -1.653 -17.511 -1.485 1.00 0.00 ATOM 333 O ASN 59 -0.015 -12.712 -2.747 1.00 0.00 ATOM 334 C ASN 59 -0.987 -13.390 -2.403 1.00 0.00 ATOM 335 N CYS 60 -2.155 -12.841 -2.081 1.00 0.00 ATOM 336 CA CYS 60 -2.342 -11.393 -2.184 1.00 0.00 ATOM 337 CB CYS 60 -3.748 -11.000 -1.731 1.00 0.00 ATOM 338 SG CYS 60 -4.095 -9.227 -1.821 1.00 0.00 ATOM 339 O CYS 60 -1.200 -10.951 -0.113 1.00 0.00 ATOM 340 C CYS 60 -1.328 -10.666 -1.305 1.00 0.00 ATOM 341 N HIS 61 -0.596 -9.741 -1.906 1.00 0.00 ATOM 342 CA HIS 61 0.488 -9.058 -1.208 1.00 0.00 ATOM 343 CB HIS 61 1.269 -8.164 -2.174 1.00 0.00 ATOM 344 CG HIS 61 2.540 -7.620 -1.599 1.00 0.00 ATOM 345 CD2 HIS 61 3.953 -7.947 -1.709 1.00 0.00 ATOM 346 ND1 HIS 61 2.566 -6.547 -0.735 1.00 0.00 ATOM 347 CE1 HIS 61 3.841 -6.291 -0.392 1.00 0.00 ATOM 348 NE2 HIS 61 4.679 -7.128 -0.973 1.00 0.00 ATOM 349 O HIS 61 -1.127 -7.558 -0.226 1.00 0.00 ATOM 350 C HIS 61 -0.069 -8.183 -0.081 1.00 0.00 ATOM 351 N GLY 62 0.628 -8.168 1.049 1.00 0.00 ATOM 352 CA GLY 62 0.241 -7.314 2.167 1.00 0.00 ATOM 353 O GLY 62 -0.740 -5.137 2.336 1.00 0.00 ATOM 354 C GLY 62 0.092 -5.848 1.774 1.00 0.00 ATOM 355 N GLY 63 0.907 -5.389 0.823 1.00 0.00 ATOM 356 CA GLY 63 0.791 -4.018 0.352 1.00 0.00 ATOM 357 O GLY 63 -1.106 -2.681 -0.266 1.00 0.00 ATOM 358 C GLY 63 -0.529 -3.768 -0.367 1.00 0.00 ATOM 359 N MET 64 -0.996 -4.764 -1.129 1.00 0.00 ATOM 360 CA MET 64 -2.273 -4.622 -1.849 1.00 0.00 ATOM 361 CB MET 64 -2.480 -5.797 -2.808 1.00 0.00 ATOM 362 CG MET 64 -1.506 -5.826 -3.974 1.00 0.00 ATOM 363 SD MET 64 -1.647 -4.375 -5.033 1.00 0.00 ATOM 364 CE MET 64 -0.327 -3.352 -4.385 1.00 0.00 ATOM 365 O MET 64 -4.363 -3.782 -1.003 1.00 0.00 ATOM 366 C MET 64 -3.436 -4.590 -0.870 1.00 0.00 ATOM 367 N LEU 65 -3.364 -5.450 0.138 1.00 0.00 ATOM 368 CA LEU 65 -4.373 -5.435 1.203 1.00 0.00 ATOM 369 CB LEU 65 -4.095 -6.544 2.219 1.00 0.00 ATOM 370 CG LEU 65 -4.315 -7.978 1.736 1.00 0.00 ATOM 371 CD1 LEU 65 -3.833 -8.977 2.776 1.00 0.00 ATOM 372 CD2 LEU 65 -5.792 -8.237 1.477 1.00 0.00 ATOM 373 O LEU 65 -5.463 -3.555 2.235 1.00 0.00 ATOM 374 C LEU 65 -4.385 -4.102 1.957 1.00 0.00 ATOM 375 N MET 66 -3.209 -3.571 2.278 1.00 0.00 ATOM 376 CA MET 66 -3.164 -2.283 2.942 1.00 0.00 ATOM 377 CB MET 66 -1.723 -1.915 3.303 1.00 0.00 ATOM 378 CG MET 66 -1.123 -2.770 4.407 1.00 0.00 ATOM 379 SD MET 66 0.606 -2.371 4.732 1.00 0.00 ATOM 380 CE MET 66 0.446 -0.741 5.455 1.00 0.00 ATOM 381 O MET 66 -4.449 -0.307 2.513 1.00 0.00 ATOM 382 C MET 66 -3.728 -1.181 2.038 1.00 0.00 ATOM 383 N SER 67 -3.389 -1.210 0.749 1.00 0.00 ATOM 384 CA SER 67 -3.862 -0.200 -0.202 1.00 0.00 ATOM 385 CB SER 67 -3.324 -0.491 -1.604 1.00 0.00 ATOM 386 OG SER 67 -1.916 -0.336 -1.653 1.00 0.00 ATOM 387 O SER 67 -6.027 0.820 -0.177 1.00 0.00 ATOM 388 C SER 67 -5.387 -0.215 -0.243 1.00 0.00 ATOM 389 N PHE 68 -5.958 -1.410 -0.314 1.00 0.00 ATOM 390 CA PHE 68 -7.394 -1.570 -0.224 1.00 0.00 ATOM 391 CB PHE 68 -7.767 -3.053 -0.191 1.00 0.00 ATOM 392 CG PHE 68 -9.242 -3.303 -0.051 1.00 0.00 ATOM 393 CD1 PHE 68 -10.079 -3.230 -1.150 1.00 0.00 ATOM 394 CD2 PHE 68 -9.792 -3.613 1.181 1.00 0.00 ATOM 395 CE1 PHE 68 -11.435 -3.462 -1.023 1.00 0.00 ATOM 396 CE2 PHE 68 -11.148 -3.845 1.309 1.00 0.00 ATOM 397 CZ PHE 68 -11.969 -3.770 0.214 1.00 0.00 ATOM 398 O PHE 68 -8.886 -0.095 0.980 1.00 0.00 ATOM 399 C PHE 68 -7.937 -0.910 1.045 1.00 0.00 ATOM 400 N ALA 69 -7.326 -1.223 2.191 1.00 0.00 ATOM 401 CA ALA 69 -7.790 -0.659 3.447 1.00 0.00 ATOM 402 CB ALA 69 -6.953 -1.183 4.605 1.00 0.00 ATOM 403 O ALA 69 -8.660 1.544 3.843 1.00 0.00 ATOM 404 C ALA 69 -7.702 0.876 3.477 1.00 0.00 ATOM 405 N ASP 70 -6.558 1.422 3.077 1.00 0.00 ATOM 406 CA ASP 70 -6.367 2.882 3.098 1.00 0.00 ATOM 407 CB ASP 70 -4.980 3.249 2.568 1.00 0.00 ATOM 408 CG ASP 70 -4.685 4.731 2.684 1.00 0.00 ATOM 409 OD1 ASP 70 -4.659 5.245 3.822 1.00 0.00 ATOM 410 OD2 ASP 70 -4.479 5.379 1.636 1.00 0.00 ATOM 411 O ASP 70 -8.020 4.608 2.617 1.00 0.00 ATOM 412 C ASP 70 -7.420 3.588 2.220 1.00 0.00 ATOM 413 N MET 71 -7.668 3.040 1.032 1.00 0.00 ATOM 414 CA MET 71 -8.661 3.622 0.136 1.00 0.00 ATOM 415 CB MET 71 -8.693 2.864 -1.193 1.00 0.00 ATOM 416 CG MET 71 -7.466 3.085 -2.062 1.00 0.00 ATOM 417 SD MET 71 -7.273 4.803 -2.574 1.00 0.00 ATOM 418 CE MET 71 -8.666 4.982 -3.685 1.00 0.00 ATOM 419 O MET 71 -10.800 4.563 0.671 1.00 0.00 ATOM 420 C MET 71 -10.071 3.574 0.729 1.00 0.00 ATOM 421 N ALA 72 -10.448 2.422 1.279 1.00 0.00 ATOM 422 CA ALA 72 -11.769 2.269 1.899 1.00 0.00 ATOM 423 CB ALA 72 -11.950 0.849 2.415 1.00 0.00 ATOM 424 O ALA 72 -12.987 3.853 3.238 1.00 0.00 ATOM 425 C ALA 72 -11.942 3.233 3.083 1.00 0.00 ATOM 426 N TRP 73 -10.910 3.342 3.919 1.00 0.00 ATOM 427 CA TRP 73 -10.936 4.293 5.034 1.00 0.00 ATOM 428 CB TRP 73 -9.637 4.211 5.839 1.00 0.00 ATOM 429 CG TRP 73 -9.502 2.947 6.632 1.00 0.00 ATOM 430 CD1 TRP 73 -10.476 2.021 6.868 1.00 0.00 ATOM 431 CD2 TRP 73 -8.324 2.472 7.295 1.00 0.00 ATOM 432 CE2 TRP 73 -8.658 1.250 7.912 1.00 0.00 ATOM 433 CE3 TRP 73 -7.020 2.959 7.425 1.00 0.00 ATOM 434 NE1 TRP 73 -9.978 0.996 7.637 1.00 0.00 ATOM 435 CZ2 TRP 73 -7.736 0.508 8.649 1.00 0.00 ATOM 436 CZ3 TRP 73 -6.109 2.220 8.157 1.00 0.00 ATOM 437 CH2 TRP 73 -6.468 1.009 8.760 1.00 0.00 ATOM 438 O TRP 73 -11.860 6.488 5.121 1.00 0.00 ATOM 439 C TRP 73 -11.092 5.738 4.547 1.00 0.00 ATOM 440 N GLY 74 -10.385 6.118 3.479 1.00 0.00 ATOM 441 CA GLY 74 -10.525 7.465 2.912 1.00 0.00 ATOM 442 O GLY 74 -12.473 8.861 2.668 1.00 0.00 ATOM 443 C GLY 74 -11.951 7.759 2.455 1.00 0.00 ATOM 444 N ARG 75 -12.570 6.766 1.818 1.00 0.00 ATOM 445 CA ARG 75 -13.941 6.882 1.329 1.00 0.00 ATOM 446 CB ARG 75 -14.309 5.669 0.474 1.00 0.00 ATOM 447 CG ARG 75 -13.612 5.627 -0.877 1.00 0.00 ATOM 448 CD ARG 75 -13.964 4.361 -1.640 1.00 0.00 ATOM 449 NE ARG 75 -13.297 4.302 -2.940 1.00 0.00 ATOM 450 CZ ARG 75 -13.371 3.268 -3.770 1.00 0.00 ATOM 451 NH1 ARG 75 -12.732 3.303 -4.931 1.00 0.00 ATOM 452 NH2 ARG 75 -14.084 2.199 -3.438 1.00 0.00 ATOM 453 O ARG 75 -15.914 7.717 2.419 1.00 0.00 ATOM 454 C ARG 75 -14.943 6.966 2.482 1.00 0.00 ATOM 455 N ILE 76 -14.703 6.196 3.549 1.00 0.00 ATOM 456 CA ILE 76 -15.519 6.306 4.759 1.00 0.00 ATOM 457 CB ILE 76 -15.059 5.313 5.843 1.00 0.00 ATOM 458 CG1 ILE 76 -15.344 3.874 5.405 1.00 0.00 ATOM 459 CG2 ILE 76 -15.792 5.571 7.149 1.00 0.00 ATOM 460 CD1 ILE 76 -14.690 2.829 6.280 1.00 0.00 ATOM 461 O ILE 76 -16.433 8.302 5.699 1.00 0.00 ATOM 462 C ILE 76 -15.421 7.716 5.336 1.00 0.00 ATOM 463 N ILE 77 -14.209 8.274 5.381 1.00 0.00 ATOM 464 CA ILE 77 -14.031 9.656 5.846 1.00 0.00 ATOM 465 CB ILE 77 -12.549 10.074 5.818 1.00 0.00 ATOM 466 CG1 ILE 77 -11.753 9.287 6.860 1.00 0.00 ATOM 467 CG2 ILE 77 -12.410 11.557 6.125 1.00 0.00 ATOM 468 CD1 ILE 77 -10.254 9.434 6.722 1.00 0.00 ATOM 469 O ILE 77 -15.508 11.483 5.481 1.00 0.00 ATOM 470 C ILE 77 -14.798 10.630 4.974 1.00 0.00 ATOM 471 N SER 78 -14.678 10.472 3.661 1.00 0.00 ATOM 472 CA SER 78 -15.401 11.328 2.735 1.00 0.00 ATOM 473 CB SER 78 -15.081 10.946 1.289 1.00 0.00 ATOM 474 OG SER 78 -13.716 11.182 0.989 1.00 0.00 ATOM 475 O SER 78 -17.633 12.213 2.742 1.00 0.00 ATOM 476 C SER 78 -16.912 11.224 2.914 1.00 0.00 ATOM 477 N LEU 79 -17.407 10.046 3.288 1.00 0.00 ATOM 478 CA LEU 79 -18.854 9.900 3.471 1.00 0.00 ATOM 479 CB LEU 79 -19.237 8.420 3.550 1.00 0.00 ATOM 480 CG LEU 79 -19.033 7.598 2.276 1.00 0.00 ATOM 481 CD1 LEU 79 -19.337 6.130 2.528 1.00 0.00 ATOM 482 CD2 LEU 79 -19.949 8.090 1.166 1.00 0.00 ATOM 483 O LEU 79 -20.500 10.879 4.913 1.00 0.00 ATOM 484 C LEU 79 -19.317 10.578 4.759 1.00 0.00 ATOM 485 N GLN 80 -18.375 10.829 5.666 1.00 0.00 ATOM 486 CA GLN 80 -18.648 11.518 6.927 1.00 0.00 ATOM 487 CB GLN 80 -17.621 11.121 7.988 1.00 0.00 ATOM 488 CG GLN 80 -17.766 9.692 8.488 1.00 0.00 ATOM 489 CD GLN 80 -19.114 9.437 9.135 1.00 0.00 ATOM 490 OE1 GLN 80 -19.887 8.598 8.671 1.00 0.00 ATOM 491 NE2 GLN 80 -19.399 10.162 10.212 1.00 0.00 ATOM 492 O GLN 80 -19.535 13.743 7.142 1.00 0.00 ATOM 493 C GLN 80 -18.587 13.036 6.763 1.00 0.00 ATOM 494 N LYS 81 -17.880 14.899 0.223 1.00 0.00 ATOM 495 CA LYS 81 -16.867 14.886 -0.839 1.00 0.00 ATOM 496 CB LYS 81 -17.409 14.192 -2.090 1.00 0.00 ATOM 497 CG LYS 81 -17.566 12.687 -1.945 1.00 0.00 ATOM 498 CD LYS 81 -18.104 12.062 -3.222 1.00 0.00 ATOM 499 CE LYS 81 -18.107 10.544 -3.136 1.00 0.00 ATOM 500 NZ LYS 81 -19.047 10.050 -2.091 1.00 0.00 ATOM 501 O LYS 81 -15.494 16.463 -2.026 1.00 0.00 ATOM 502 C LYS 81 -16.437 16.291 -1.246 1.00 0.00 ATOM 503 N SER 82 -17.123 17.291 -0.691 1.00 0.00 ATOM 504 CA SER 82 -16.762 18.694 -0.872 1.00 0.00 ATOM 505 CB SER 82 -17.981 19.592 -0.657 1.00 0.00 ATOM 506 OG SER 82 -18.418 19.547 0.690 1.00 0.00 ATOM 507 O SER 82 -15.225 20.268 0.106 1.00 0.00 ATOM 508 C SER 82 -15.677 19.119 0.122 1.00 0.00 ATOM 509 N TYR 83 -15.314 18.203 1.017 1.00 0.00 ATOM 510 CA TYR 83 -14.218 18.421 1.957 1.00 0.00 ATOM 511 CB TYR 83 -14.739 18.422 3.395 1.00 0.00 ATOM 512 CG TYR 83 -15.693 19.554 3.702 1.00 0.00 ATOM 513 CD1 TYR 83 -17.062 19.395 3.530 1.00 0.00 ATOM 514 CD2 TYR 83 -15.222 20.779 4.158 1.00 0.00 ATOM 515 CE1 TYR 83 -17.943 20.424 3.808 1.00 0.00 ATOM 516 CE2 TYR 83 -16.087 21.819 4.440 1.00 0.00 ATOM 517 CZ TYR 83 -17.457 21.632 4.261 1.00 0.00 ATOM 518 OH TYR 83 -18.332 22.657 4.536 1.00 0.00 ATOM 519 O TYR 83 -13.481 16.264 1.213 1.00 0.00 ATOM 520 C TYR 83 -13.188 17.309 1.804 1.00 0.00 ATOM 521 N SER 84 -11.985 17.539 2.327 1.00 0.00 ATOM 522 CA SER 84 -10.900 16.577 2.172 1.00 0.00 ATOM 523 CB SER 84 -9.754 17.188 1.364 1.00 0.00 ATOM 524 OG SER 84 -10.173 17.517 0.051 1.00 0.00 ATOM 525 O SER 84 -10.387 16.879 4.496 1.00 0.00 ATOM 526 C SER 84 -10.337 16.136 3.516 1.00 0.00 ATOM 527 N TRP 85 -9.816 14.910 3.542 1.00 0.00 ATOM 528 CA TRP 85 -9.016 14.412 4.659 1.00 0.00 ATOM 529 CB TRP 85 -9.862 13.518 5.567 1.00 0.00 ATOM 530 CG TRP 85 -11.025 14.227 6.191 1.00 0.00 ATOM 531 CD1 TRP 85 -11.051 14.848 7.406 1.00 0.00 ATOM 532 CD2 TRP 85 -12.334 14.388 5.629 1.00 0.00 ATOM 533 CE2 TRP 85 -13.100 15.116 6.559 1.00 0.00 ATOM 534 CE3 TRP 85 -12.932 13.987 4.431 1.00 0.00 ATOM 535 NE1 TRP 85 -12.294 15.386 7.638 1.00 0.00 ATOM 536 CZ2 TRP 85 -14.433 15.452 6.330 1.00 0.00 ATOM 537 CZ3 TRP 85 -14.254 14.322 4.207 1.00 0.00 ATOM 538 CH2 TRP 85 -14.992 15.047 5.148 1.00 0.00 ATOM 539 O TRP 85 -7.940 13.140 2.930 1.00 0.00 ATOM 540 C TRP 85 -7.859 13.612 4.072 1.00 0.00 ATOM 541 N VAL 86 -6.783 13.471 4.846 1.00 0.00 ATOM 542 CA VAL 86 -5.622 12.688 4.417 1.00 0.00 ATOM 543 CB VAL 86 -4.443 13.597 4.025 1.00 0.00 ATOM 544 CG1 VAL 86 -4.814 14.468 2.835 1.00 0.00 ATOM 545 CG2 VAL 86 -4.061 14.505 5.184 1.00 0.00 ATOM 546 O VAL 86 -5.354 12.133 6.737 1.00 0.00 ATOM 547 C VAL 86 -5.179 11.783 5.562 1.00 0.00 ATOM 548 N THR 87 -4.630 10.625 5.214 1.00 0.00 ATOM 549 CA THR 87 -4.156 9.685 6.221 1.00 0.00 ATOM 550 CB THR 87 -3.693 8.361 5.583 1.00 0.00 ATOM 551 CG2 THR 87 -3.233 7.386 6.655 1.00 0.00 ATOM 552 OG1 THR 87 -4.779 7.774 4.855 1.00 0.00 ATOM 553 O THR 87 -1.958 10.682 6.394 1.00 0.00 ATOM 554 C THR 87 -2.969 10.262 7.002 1.00 0.00 ATOM 555 N VAL 88 -3.083 10.322 8.331 1.00 0.00 ATOM 556 CA VAL 88 -1.920 10.615 9.167 1.00 0.00 ATOM 557 CB VAL 88 -2.338 11.211 10.525 1.00 0.00 ATOM 558 CG1 VAL 88 -1.126 11.380 11.427 1.00 0.00 ATOM 559 CG2 VAL 88 -2.987 12.572 10.331 1.00 0.00 ATOM 560 O VAL 88 0.107 9.327 9.370 1.00 0.00 ATOM 561 C VAL 88 -1.125 9.331 9.435 1.00 0.00 ATOM 562 N ARG 89 -1.836 8.259 9.784 1.00 0.00 ATOM 563 CA ARG 89 -1.179 6.994 10.134 1.00 0.00 ATOM 564 CB ARG 89 -0.619 7.056 11.557 1.00 0.00 ATOM 565 CG ARG 89 -1.682 7.196 12.636 1.00 0.00 ATOM 566 CD ARG 89 -1.059 7.211 14.023 1.00 0.00 ATOM 567 NE ARG 89 -2.049 7.482 15.063 1.00 0.00 ATOM 568 CZ ARG 89 -2.812 6.553 15.630 1.00 0.00 ATOM 569 NH1 ARG 89 -3.685 6.893 16.568 1.00 0.00 ATOM 570 NH2 ARG 89 -2.700 5.286 15.256 1.00 0.00 ATOM 571 O ARG 89 -3.380 6.111 10.097 1.00 0.00 ATOM 572 C ARG 89 -2.186 5.869 10.048 1.00 0.00 ATOM 573 N LEU 90 -1.698 4.644 9.950 1.00 0.00 ATOM 574 CA LEU 90 -2.573 3.468 9.943 1.00 0.00 ATOM 575 CB LEU 90 -3.076 3.182 8.525 1.00 0.00 ATOM 576 CG LEU 90 -2.004 2.920 7.466 1.00 0.00 ATOM 577 CD1 LEU 90 -1.595 1.454 7.466 1.00 0.00 ATOM 578 CD2 LEU 90 -2.521 3.268 6.078 1.00 0.00 ATOM 579 O LEU 90 -0.574 2.207 10.264 1.00 0.00 ATOM 580 C LEU 90 -1.796 2.274 10.443 1.00 0.00 ATOM 581 N MET 91 -2.513 1.318 11.030 1.00 0.00 ATOM 582 CA MET 91 -1.924 0.095 11.562 1.00 0.00 ATOM 583 CB MET 91 -1.881 0.141 13.092 1.00 0.00 ATOM 584 CG MET 91 -1.310 -1.112 13.734 1.00 0.00 ATOM 585 SD MET 91 -1.127 -0.955 15.521 1.00 0.00 ATOM 586 CE MET 91 -2.841 -0.980 16.040 1.00 0.00 ATOM 587 O MET 91 -4.010 -0.961 11.216 1.00 0.00 ATOM 588 C MET 91 -2.798 -1.045 11.095 1.00 0.00 ATOM 589 N CYS 92 -2.175 -2.105 10.588 1.00 0.00 ATOM 590 CA CYS 92 -2.909 -3.247 10.033 1.00 0.00 ATOM 591 CB CYS 92 -2.743 -3.303 8.512 1.00 0.00 ATOM 592 SG CYS 92 -3.429 -1.880 7.633 1.00 0.00 ATOM 593 O CYS 92 -1.177 -4.660 10.882 1.00 0.00 ATOM 594 C CYS 92 -2.379 -4.545 10.631 1.00 0.00 ATOM 595 N ASP 93 -3.272 -5.515 10.865 1.00 0.00 ATOM 596 CA ASP 93 -2.883 -6.894 11.181 1.00 0.00 ATOM 597 CB ASP 93 -3.563 -7.362 12.469 1.00 0.00 ATOM 598 CG ASP 93 -3.116 -6.572 13.683 1.00 0.00 ATOM 599 OD1 ASP 93 -1.891 -6.450 13.894 1.00 0.00 ATOM 600 OD2 ASP 93 -3.990 -6.073 14.423 1.00 0.00 ATOM 601 O ASP 93 -4.427 -7.654 9.542 1.00 0.00 ATOM 602 C ASP 93 -3.307 -7.779 10.039 1.00 0.00 ATOM 603 N PHE 94 -2.421 -8.686 9.655 1.00 0.00 ATOM 604 CA PHE 94 -2.718 -9.674 8.615 1.00 0.00 ATOM 605 CB PHE 94 -1.504 -9.873 7.704 1.00 0.00 ATOM 606 CG PHE 94 -1.172 -8.670 6.868 1.00 0.00 ATOM 607 CD1 PHE 94 -0.275 -7.719 7.323 1.00 0.00 ATOM 608 CD2 PHE 94 -1.754 -8.491 5.625 1.00 0.00 ATOM 609 CE1 PHE 94 0.030 -6.612 6.554 1.00 0.00 ATOM 610 CE2 PHE 94 -1.447 -7.384 4.856 1.00 0.00 ATOM 611 CZ PHE 94 -0.559 -6.448 5.315 1.00 0.00 ATOM 612 O PHE 94 -2.277 -11.512 10.085 1.00 0.00 ATOM 613 C PHE 94 -3.062 -10.981 9.284 1.00 0.00 ATOM 614 N LEU 95 -4.226 -11.511 8.957 1.00 0.00 ATOM 615 CA LEU 95 -4.717 -12.668 9.707 1.00 0.00 ATOM 616 CB LEU 95 -6.198 -12.496 10.049 1.00 0.00 ATOM 617 CG LEU 95 -6.850 -13.638 10.833 1.00 0.00 ATOM 618 CD1 LEU 95 -6.189 -13.804 12.192 1.00 0.00 ATOM 619 CD2 LEU 95 -8.329 -13.362 11.053 1.00 0.00 ATOM 620 O LEU 95 -4.067 -14.963 9.435 1.00 0.00 ATOM 621 C LEU 95 -4.570 -13.954 8.915 1.00 0.00 ATOM 622 N SER 96 -5.013 -13.948 7.665 1.00 0.00 ATOM 623 CA SER 96 -4.695 -15.094 6.805 1.00 0.00 ATOM 624 CB SER 96 -5.800 -16.150 6.890 1.00 0.00 ATOM 625 OG SER 96 -7.014 -15.663 6.346 1.00 0.00 ATOM 626 O SER 96 -4.998 -13.631 4.954 1.00 0.00 ATOM 627 C SER 96 -4.552 -14.709 5.348 1.00 0.00 ATOM 628 N GLY 97 -3.940 -15.609 4.577 1.00 0.00 ATOM 629 CA GLY 97 -3.582 -15.339 3.186 1.00 0.00 ATOM 630 O GLY 97 -5.631 -16.402 2.502 1.00 0.00 ATOM 631 C GLY 97 -4.772 -15.534 2.263 1.00 0.00 ATOM 632 N ALA 98 -4.791 -14.754 1.189 1.00 0.00 ATOM 633 CA ALA 98 -5.799 -14.868 0.137 1.00 0.00 ATOM 634 CB ALA 98 -6.458 -13.520 -0.115 1.00 0.00 ATOM 635 O ALA 98 -4.181 -14.728 -1.625 1.00 0.00 ATOM 636 C ALA 98 -5.121 -15.348 -1.158 1.00 0.00 ATOM 637 N LYS 99 -5.592 -16.460 -1.721 1.00 0.00 ATOM 638 CA LYS 99 -4.951 -17.043 -2.913 1.00 0.00 ATOM 639 CB LYS 99 -4.795 -18.557 -2.751 1.00 0.00 ATOM 640 CG LYS 99 -3.903 -18.967 -1.589 1.00 0.00 ATOM 641 CD LYS 99 -3.767 -20.479 -1.506 1.00 0.00 ATOM 642 CE LYS 99 -2.869 -20.889 -0.350 1.00 0.00 ATOM 643 NZ LYS 99 -2.804 -22.369 -0.196 1.00 0.00 ATOM 644 O LYS 99 -5.200 -16.896 -5.304 1.00 0.00 ATOM 645 C LYS 99 -5.748 -16.810 -4.197 1.00 0.00 ATOM 646 N GLY 101 -7.039 -16.522 -4.059 1.00 0.00 ATOM 647 CA GLY 101 -7.879 -16.309 -5.235 1.00 0.00 ATOM 648 O GLY 101 -9.483 -15.404 -3.701 1.00 0.00 ATOM 649 C GLY 101 -9.197 -15.642 -4.882 1.00 0.00 ATOM 650 N ASP 102 -9.999 -15.366 -5.906 1.00 0.00 ATOM 651 CA ASP 102 -11.319 -14.777 -5.721 1.00 0.00 ATOM 652 CB ASP 102 -12.054 -15.460 -4.566 1.00 0.00 ATOM 653 CG ASP 102 -11.339 -15.292 -3.241 1.00 0.00 ATOM 654 OD1 ASP 102 -10.281 -14.628 -3.214 1.00 0.00 ATOM 655 OD2 ASP 102 -11.836 -15.824 -2.226 1.00 0.00 ATOM 656 O ASP 102 -10.248 -12.647 -5.887 1.00 0.00 ATOM 657 C ASP 102 -11.178 -13.299 -5.407 1.00 0.00 ATOM 658 N TRP 103 -12.083 -12.763 -4.604 1.00 0.00 ATOM 659 CA TRP 103 -11.985 -11.357 -4.248 1.00 0.00 ATOM 660 CB TRP 103 -13.080 -10.549 -4.948 1.00 0.00 ATOM 661 CG TRP 103 -14.466 -10.911 -4.509 1.00 0.00 ATOM 662 CD1 TRP 103 -15.195 -10.314 -3.522 1.00 0.00 ATOM 663 CD2 TRP 103 -15.290 -11.954 -5.045 1.00 0.00 ATOM 664 CE2 TRP 103 -16.506 -11.930 -4.332 1.00 0.00 ATOM 665 CE3 TRP 103 -15.121 -12.904 -6.055 1.00 0.00 ATOM 666 NE1 TRP 103 -16.423 -10.919 -3.408 1.00 0.00 ATOM 667 CZ2 TRP 103 -17.546 -12.821 -4.599 1.00 0.00 ATOM 668 CZ3 TRP 103 -16.153 -13.784 -6.316 1.00 0.00 ATOM 669 CH2 TRP 103 -17.350 -13.739 -5.593 1.00 0.00 ATOM 670 O TRP 103 -12.682 -11.983 -2.031 1.00 0.00 ATOM 671 C TRP 103 -12.137 -11.137 -2.752 1.00 0.00 ATOM 672 N VAL 104 -11.684 -9.973 -2.311 1.00 0.00 ATOM 673 CA VAL 104 -11.895 -9.567 -0.926 1.00 0.00 ATOM 674 CB VAL 104 -10.560 -9.290 -0.208 1.00 0.00 ATOM 675 CG1 VAL 104 -9.708 -10.551 -0.163 1.00 0.00 ATOM 676 CG2 VAL 104 -9.777 -8.209 -0.937 1.00 0.00 ATOM 677 O VAL 104 -12.764 -7.514 -1.837 1.00 0.00 ATOM 678 C VAL 104 -12.730 -8.295 -0.872 1.00 0.00 ATOM 679 N GLU 105 -13.403 -8.104 0.262 1.00 0.00 ATOM 680 CA GLU 105 -14.183 -6.904 0.522 1.00 0.00 ATOM 681 CB GLU 105 -15.650 -7.261 0.763 1.00 0.00 ATOM 682 CG GLU 105 -16.361 -7.827 -0.455 1.00 0.00 ATOM 683 CD GLU 105 -17.830 -8.097 -0.200 1.00 0.00 ATOM 684 OE1 GLU 105 -18.299 -7.817 0.923 1.00 0.00 ATOM 685 OE2 GLU 105 -18.511 -8.590 -1.123 1.00 0.00 ATOM 686 O GLU 105 -13.325 -6.904 2.726 1.00 0.00 ATOM 687 C GLU 105 -13.613 -6.237 1.746 1.00 0.00 ATOM 688 N GLY 106 -13.442 -4.925 1.663 1.00 0.00 ATOM 689 CA GLY 106 -13.070 -4.125 2.824 1.00 0.00 ATOM 690 O GLY 106 -14.827 -2.564 2.342 1.00 0.00 ATOM 691 C GLY 106 -14.241 -3.239 3.203 1.00 0.00 ATOM 692 N GLU 107 -14.600 -3.262 4.486 1.00 0.00 ATOM 693 CA GLU 107 -15.581 -2.321 5.025 1.00 0.00 ATOM 694 CB GLU 107 -16.749 -3.072 5.666 1.00 0.00 ATOM 695 CG GLU 107 -17.822 -2.169 6.250 1.00 0.00 ATOM 696 CD GLU 107 -18.979 -2.947 6.844 1.00 0.00 ATOM 697 OE1 GLU 107 -18.914 -4.194 6.853 1.00 0.00 ATOM 698 OE2 GLU 107 -19.952 -2.309 7.301 1.00 0.00 ATOM 699 O GLU 107 -14.248 -2.003 7.000 1.00 0.00 ATOM 700 C GLU 107 -14.878 -1.463 6.077 1.00 0.00 ATOM 701 N GLY 108 -14.972 -0.142 5.918 1.00 0.00 ATOM 702 CA GLY 108 -14.365 0.789 6.852 1.00 0.00 ATOM 703 O GLY 108 -16.486 1.923 6.856 1.00 0.00 ATOM 704 C GLY 108 -15.468 1.625 7.494 1.00 0.00 ATOM 705 N GLU 109 -15.252 1.989 8.758 1.00 0.00 ATOM 706 CA GLU 109 -16.241 2.698 9.547 1.00 0.00 ATOM 707 CB GLU 109 -16.953 1.738 10.501 1.00 0.00 ATOM 708 CG GLU 109 -18.016 2.398 11.365 1.00 0.00 ATOM 709 CD GLU 109 -18.792 1.397 12.199 1.00 0.00 ATOM 710 OE1 GLU 109 -18.556 0.181 12.040 1.00 0.00 ATOM 711 OE2 GLU 109 -19.637 1.829 13.012 1.00 0.00 ATOM 712 O GLU 109 -14.622 3.501 11.115 1.00 0.00 ATOM 713 C GLU 109 -15.558 3.786 10.360 1.00 0.00 ATOM 714 N LEU 110 -16.018 5.021 10.205 1.00 0.00 ATOM 715 CA LEU 110 -15.547 6.127 11.036 1.00 0.00 ATOM 716 CB LEU 110 -16.089 7.460 10.515 1.00 0.00 ATOM 717 CG LEU 110 -15.621 8.717 11.250 1.00 0.00 ATOM 718 CD1 LEU 110 -14.125 8.917 11.074 1.00 0.00 ATOM 719 CD2 LEU 110 -16.332 9.949 10.713 1.00 0.00 ATOM 720 O LEU 110 -17.248 5.779 12.738 1.00 0.00 ATOM 721 C LEU 110 -16.031 5.917 12.482 1.00 0.00 ATOM 722 N ILE 111 -15.082 5.887 13.414 1.00 0.00 ATOM 723 CA ILE 111 -15.395 5.705 14.845 1.00 0.00 ATOM 724 CB ILE 111 -14.292 4.910 15.567 1.00 0.00 ATOM 725 CG1 ILE 111 -14.097 3.543 14.904 1.00 0.00 ATOM 726 CG2 ILE 111 -14.664 4.689 17.027 1.00 0.00 ATOM 727 CD1 ILE 111 -15.357 2.709 14.848 1.00 0.00 ATOM 728 O ILE 111 -16.221 7.146 16.583 1.00 0.00 ATOM 729 C ILE 111 -15.534 7.041 15.558 1.00 0.00 ATOM 730 N SER 112 -14.839 8.050 15.045 1.00 0.00 ATOM 731 CA SER 112 -14.954 9.403 15.570 1.00 0.00 ATOM 732 CB SER 112 -13.995 9.605 16.744 1.00 0.00 ATOM 733 OG SER 112 -14.072 10.929 17.241 1.00 0.00 ATOM 734 O SER 112 -13.636 10.272 13.772 1.00 0.00 ATOM 735 C SER 112 -14.616 10.417 14.493 1.00 0.00 ATOM 736 N GLU 113 -15.452 11.438 14.385 1.00 0.00 ATOM 737 CA GLU 113 -15.201 12.535 13.451 1.00 0.00 ATOM 738 CB GLU 113 -16.338 12.641 12.433 1.00 0.00 ATOM 739 CG GLU 113 -16.143 13.738 11.398 1.00 0.00 ATOM 740 CD GLU 113 -17.246 13.759 10.357 1.00 0.00 ATOM 741 OE1 GLU 113 -18.206 12.971 10.492 1.00 0.00 ATOM 742 OE2 GLU 113 -17.151 14.563 9.406 1.00 0.00 ATOM 743 O GLU 113 -16.126 14.391 14.635 1.00 0.00 ATOM 744 C GLU 113 -15.106 13.825 14.245 1.00 0.00 ATOM 745 N GLU 114 -13.880 14.256 14.532 1.00 0.00 ATOM 746 CA GLU 114 -13.644 15.503 15.249 1.00 0.00 ATOM 747 CB GLU 114 -12.407 15.382 16.141 1.00 0.00 ATOM 748 CG GLU 114 -12.543 14.357 17.255 1.00 0.00 ATOM 749 CD GLU 114 -11.333 14.325 18.169 1.00 0.00 ATOM 750 OE1 GLU 114 -10.199 14.272 17.650 1.00 0.00 ATOM 751 OE2 GLU 114 -11.519 14.353 19.404 1.00 0.00 ATOM 752 O GLU 114 -13.391 16.407 13.055 1.00 0.00 ATOM 753 C GLU 114 -13.424 16.637 14.266 1.00 0.00 ATOM 754 N ASP 115 -13.261 17.858 14.776 1.00 0.00 ATOM 755 CA ASP 115 -13.012 19.008 13.900 1.00 0.00 ATOM 756 CB ASP 115 -13.028 20.309 14.707 1.00 0.00 ATOM 757 CG ASP 115 -14.426 20.711 15.134 1.00 0.00 ATOM 758 OD1 ASP 115 -15.398 20.130 14.608 1.00 0.00 ATOM 759 OD2 ASP 115 -14.549 21.609 15.994 1.00 0.00 ATOM 760 O ASP 115 -11.487 19.402 12.084 1.00 0.00 ATOM 761 C ASP 115 -11.650 18.911 13.202 1.00 0.00 ATOM 762 N MET 116 -10.693 18.239 13.836 1.00 0.00 ATOM 763 CA MET 116 -9.332 18.179 13.301 1.00 0.00 ATOM 764 CB MET 116 -8.326 18.685 14.336 1.00 0.00 ATOM 765 CG MET 116 -8.456 20.165 14.657 1.00 0.00 ATOM 766 SD MET 116 -7.279 20.712 15.908 1.00 0.00 ATOM 767 CE MET 116 -5.746 20.640 14.983 1.00 0.00 ATOM 768 O MET 116 -7.975 16.646 12.048 1.00 0.00 ATOM 769 C MET 116 -8.861 16.783 12.899 1.00 0.00 ATOM 770 N LEU 117 -9.450 15.754 13.494 1.00 0.00 ATOM 771 CA LEU 117 -9.064 14.394 13.145 1.00 0.00 ATOM 772 CB LEU 117 -8.049 13.851 14.153 1.00 0.00 ATOM 773 CG LEU 117 -6.700 14.573 14.213 1.00 0.00 ATOM 774 CD1 LEU 117 -5.890 14.102 15.411 1.00 0.00 ATOM 775 CD2 LEU 117 -5.890 14.302 12.955 1.00 0.00 ATOM 776 O LEU 117 -11.268 13.677 13.767 1.00 0.00 ATOM 777 C LEU 117 -10.236 13.434 13.131 1.00 0.00 ATOM 778 N PHE 118 -10.061 12.350 12.385 1.00 0.00 ATOM 779 CA PHE 118 -11.021 11.270 12.349 1.00 0.00 ATOM 780 CB PHE 118 -11.659 11.166 10.962 1.00 0.00 ATOM 781 CG PHE 118 -12.432 12.389 10.557 1.00 0.00 ATOM 782 CD1 PHE 118 -11.825 13.400 9.831 1.00 0.00 ATOM 783 CD2 PHE 118 -13.764 12.529 10.901 1.00 0.00 ATOM 784 CE1 PHE 118 -12.536 14.525 9.460 1.00 0.00 ATOM 785 CE2 PHE 118 -14.475 13.653 10.529 1.00 0.00 ATOM 786 CZ PHE 118 -13.868 14.649 9.812 1.00 0.00 ATOM 787 O PHE 118 -9.155 9.773 12.272 1.00 0.00 ATOM 788 C PHE 118 -10.298 9.970 12.672 1.00 0.00 ATOM 789 N THR 119 -10.969 9.097 13.416 1.00 0.00 ATOM 790 CA THR 119 -10.468 7.755 13.663 1.00 0.00 ATOM 791 CB THR 119 -10.492 7.411 15.164 1.00 0.00 ATOM 792 CG2 THR 119 -9.981 5.998 15.395 1.00 0.00 ATOM 793 OG1 THR 119 -9.657 8.330 15.880 1.00 0.00 ATOM 794 O THR 119 -12.605 6.871 12.962 1.00 0.00 ATOM 795 C THR 119 -11.358 6.775 12.910 1.00 0.00 ATOM 796 N VAL 120 -10.721 5.828 12.232 1.00 0.00 ATOM 797 CA VAL 120 -11.438 4.895 11.357 1.00 0.00 ATOM 798 CB VAL 120 -11.250 5.256 9.873 1.00 0.00 ATOM 799 CG1 VAL 120 -11.971 4.252 8.985 1.00 0.00 ATOM 800 CG2 VAL 120 -11.812 6.640 9.585 1.00 0.00 ATOM 801 O VAL 120 -9.712 3.313 11.834 1.00 0.00 ATOM 802 C VAL 120 -10.914 3.485 11.579 1.00 0.00 ATOM 803 N ARG 121 -11.811 2.491 11.551 1.00 0.00 ATOM 804 CA ARG 121 -11.384 1.095 11.585 1.00 0.00 ATOM 805 CB ARG 121 -12.023 0.368 12.769 1.00 0.00 ATOM 806 CG ARG 121 -11.596 0.898 14.128 1.00 0.00 ATOM 807 CD ARG 121 -12.358 0.215 15.252 1.00 0.00 ATOM 808 NE ARG 121 -11.921 0.677 16.567 1.00 0.00 ATOM 809 CZ ARG 121 -12.507 0.335 17.711 1.00 0.00 ATOM 810 NH1 ARG 121 -12.041 0.803 18.861 1.00 0.00 ATOM 811 NH2 ARG 121 -13.556 -0.476 17.702 1.00 0.00 ATOM 812 O ARG 121 -12.684 0.966 9.586 1.00 0.00 ATOM 813 C ARG 121 -11.815 0.436 10.291 1.00 0.00 ATOM 814 N GLY 122 -11.208 -0.701 9.962 1.00 0.00 ATOM 815 CA GLY 122 -11.600 -1.421 8.747 1.00 0.00 ATOM 816 O GLY 122 -10.421 -3.284 9.661 1.00 0.00 ATOM 817 C GLY 122 -11.301 -2.896 8.889 1.00 0.00 ATOM 818 N ARG 123 -12.069 -3.722 8.185 1.00 0.00 ATOM 819 CA ARG 123 -11.795 -5.145 8.127 1.00 0.00 ATOM 820 CB ARG 123 -12.834 -5.925 8.937 1.00 0.00 ATOM 821 CG ARG 123 -12.813 -5.620 10.426 1.00 0.00 ATOM 822 CD ARG 123 -13.905 -6.383 11.160 1.00 0.00 ATOM 823 NE ARG 123 -13.886 -6.118 12.597 1.00 0.00 ATOM 824 CZ ARG 123 -14.753 -6.632 13.463 1.00 0.00 ATOM 825 NH1 ARG 123 -14.659 -6.336 14.752 1.00 0.00 ATOM 826 NH2 ARG 123 -15.714 -7.441 13.037 1.00 0.00 ATOM 827 O ARG 123 -12.606 -5.014 5.870 1.00 0.00 ATOM 828 C ARG 123 -11.853 -5.585 6.674 1.00 0.00 ATOM 829 N ILE 124 -11.009 -6.548 6.334 1.00 0.00 ATOM 830 CA ILE 124 -11.019 -7.160 5.011 1.00 0.00 ATOM 831 CB ILE 124 -9.624 -7.121 4.362 1.00 0.00 ATOM 832 CG1 ILE 124 -9.149 -5.675 4.203 1.00 0.00 ATOM 833 CG2 ILE 124 -9.657 -7.770 2.987 1.00 0.00 ATOM 834 CD1 ILE 124 -7.698 -5.549 3.794 1.00 0.00 ATOM 835 O ILE 124 -10.952 -9.291 6.094 1.00 0.00 ATOM 836 C ILE 124 -11.461 -8.595 5.203 1.00 0.00 ATOM 840 N GLY 127 -15.966 -13.584 2.405 1.00 0.00 ATOM 841 CA GLY 127 -17.070 -14.259 3.094 1.00 0.00 ATOM 842 O GLY 127 -16.633 -13.239 5.217 1.00 0.00 ATOM 843 C GLY 127 -16.862 -14.283 4.600 1.00 0.00 ATOM 844 N GLU 128 -16.918 -15.488 5.172 1.00 0.00 ATOM 845 CA GLU 128 -16.718 -15.708 6.614 1.00 0.00 ATOM 846 CB GLU 128 -17.471 -16.959 7.075 1.00 0.00 ATOM 847 CG GLU 128 -18.980 -16.862 6.933 1.00 0.00 ATOM 848 CD GLU 128 -19.693 -18.108 7.418 1.00 0.00 ATOM 849 OE1 GLU 128 -19.003 -19.051 7.863 1.00 0.00 ATOM 850 OE2 GLU 128 -20.939 -18.145 7.355 1.00 0.00 ATOM 851 O GLU 128 -14.926 -16.456 8.060 1.00 0.00 ATOM 852 C GLU 128 -15.239 -15.905 6.996 1.00 0.00 ATOM 853 N ARG 129 -14.339 -15.466 6.123 1.00 0.00 ATOM 854 CA ARG 129 -12.917 -15.484 6.436 1.00 0.00 ATOM 855 CB ARG 129 -12.115 -16.041 5.257 1.00 0.00 ATOM 856 CG ARG 129 -12.385 -17.508 4.962 1.00 0.00 ATOM 857 CD ARG 129 -11.651 -17.963 3.711 1.00 0.00 ATOM 858 NE ARG 129 -11.882 -19.376 3.425 1.00 0.00 ATOM 859 CZ ARG 129 -11.295 -20.045 2.437 1.00 0.00 ATOM 860 NH1 ARG 129 -11.565 -21.329 2.253 1.00 0.00 ATOM 861 NH2 ARG 129 -10.439 -19.426 1.635 1.00 0.00 ATOM 862 O ARG 129 -12.485 -13.196 5.858 1.00 0.00 ATOM 863 C ARG 129 -12.433 -14.068 6.732 1.00 0.00 ATOM 864 N THR 130 -11.954 -13.836 7.957 1.00 0.00 ATOM 865 CA THR 130 -11.314 -12.558 8.280 1.00 0.00 ATOM 866 CB THR 130 -11.286 -12.308 9.800 1.00 0.00 ATOM 867 CG2 THR 130 -10.620 -10.976 10.107 1.00 0.00 ATOM 868 OG1 THR 130 -12.625 -12.284 10.307 1.00 0.00 ATOM 869 O THR 130 -9.075 -13.421 8.167 1.00 0.00 ATOM 870 C THR 130 -9.886 -12.571 7.766 1.00 0.00 ATOM 871 N LEU 131 -9.591 -11.640 6.868 1.00 0.00 ATOM 872 CA LEU 131 -8.278 -11.582 6.222 1.00 0.00 ATOM 873 CB LEU 131 -8.420 -11.177 4.753 1.00 0.00 ATOM 874 CG LEU 131 -9.212 -12.134 3.860 1.00 0.00 ATOM 875 CD1 LEU 131 -9.384 -11.550 2.467 1.00 0.00 ATOM 876 CD2 LEU 131 -8.493 -13.468 3.732 1.00 0.00 ATOM 877 O LEU 131 -6.156 -10.845 7.118 1.00 0.00 ATOM 878 C LEU 131 -7.352 -10.564 6.898 1.00 0.00 ATOM 879 N ILE 132 -7.880 -9.379 7.193 1.00 0.00 ATOM 880 CA ILE 132 -7.045 -8.328 7.827 1.00 0.00 ATOM 881 CB ILE 132 -6.270 -7.512 6.775 1.00 0.00 ATOM 882 CG1 ILE 132 -5.215 -6.634 7.451 1.00 0.00 ATOM 883 CG2 ILE 132 -7.218 -6.613 5.996 1.00 0.00 ATOM 884 CD1 ILE 132 -4.180 -6.079 6.498 1.00 0.00 ATOM 885 O ILE 132 -9.137 -7.311 8.391 1.00 0.00 ATOM 886 C ILE 132 -7.931 -7.376 8.614 1.00 0.00 ATOM 887 N THR 133 -7.329 -6.666 9.560 1.00 0.00 ATOM 888 CA THR 133 -8.074 -5.721 10.388 1.00 0.00 ATOM 889 CB THR 133 -8.497 -6.355 11.726 1.00 0.00 ATOM 890 CG2 THR 133 -9.298 -5.363 12.556 1.00 0.00 ATOM 891 OG1 THR 133 -9.309 -7.511 11.474 1.00 0.00 ATOM 892 O THR 133 -5.923 -4.755 10.802 1.00 0.00 ATOM 893 C THR 133 -7.134 -4.556 10.632 1.00 0.00 ATOM 894 N GLY 134 -7.669 -3.339 10.614 1.00 0.00 ATOM 895 CA GLY 134 -6.816 -2.172 10.910 1.00 0.00 ATOM 896 O GLY 134 -8.774 -0.981 11.575 1.00 0.00 ATOM 897 C GLY 134 -7.540 -0.988 11.497 1.00 0.00 ATOM 898 N THR 135 -6.750 0.014 11.877 1.00 0.00 ATOM 899 CA THR 135 -7.236 1.215 12.538 1.00 0.00 ATOM 900 CB THR 135 -7.253 1.049 14.069 1.00 0.00 ATOM 901 CG2 THR 135 -5.840 0.857 14.599 1.00 0.00 ATOM 902 OG1 THR 135 -7.820 2.218 14.674 1.00 0.00 ATOM 903 O THR 135 -5.078 2.106 12.126 1.00 0.00 ATOM 904 C THR 135 -6.289 2.320 12.144 1.00 0.00 ATOM 905 N GLY 136 -6.833 3.484 11.814 1.00 0.00 ATOM 906 CA GLY 136 -5.998 4.629 11.399 1.00 0.00 ATOM 907 O GLY 136 -7.735 6.049 12.277 1.00 0.00 ATOM 908 C GLY 136 -6.589 5.966 11.784 1.00 0.00 ATOM 909 N VAL 137 -5.815 7.017 11.531 1.00 0.00 ATOM 910 CA VAL 137 -6.167 8.359 11.947 1.00 0.00 ATOM 911 CB VAL 137 -5.247 8.859 13.077 1.00 0.00 ATOM 912 CG1 VAL 137 -5.613 10.282 13.471 1.00 0.00 ATOM 913 CG2 VAL 137 -5.379 7.972 14.303 1.00 0.00 ATOM 914 O VAL 137 -4.988 9.139 10.016 1.00 0.00 ATOM 915 C VAL 137 -6.007 9.220 10.717 1.00 0.00 ATOM 916 N PHE 138 -7.018 10.042 10.462 1.00 0.00 ATOM 917 CA PHE 138 -7.018 10.976 9.334 1.00 0.00 ATOM 918 CB PHE 138 -8.259 10.767 8.465 1.00 0.00 ATOM 919 CG PHE 138 -8.293 9.438 7.765 1.00 0.00 ATOM 920 CD1 PHE 138 -8.936 8.355 8.337 1.00 0.00 ATOM 921 CD2 PHE 138 -7.679 9.270 6.536 1.00 0.00 ATOM 922 CE1 PHE 138 -8.967 7.132 7.695 1.00 0.00 ATOM 923 CE2 PHE 138 -7.709 8.047 5.893 1.00 0.00 ATOM 924 CZ PHE 138 -8.351 6.981 6.468 1.00 0.00 ATOM 925 O PHE 138 -7.552 12.694 10.935 1.00 0.00 ATOM 926 C PHE 138 -7.016 12.405 9.853 1.00 0.00 ATOM 927 N LYS 139 -6.405 13.315 9.092 1.00 0.00 ATOM 928 CA LYS 139 -6.418 14.722 9.460 1.00 0.00 ATOM 929 CB LYS 139 -5.063 15.366 9.159 1.00 0.00 ATOM 930 CG LYS 139 -4.966 16.827 9.570 1.00 0.00 ATOM 931 CD LYS 139 -3.606 17.409 9.220 1.00 0.00 ATOM 932 CE LYS 139 -3.516 18.875 9.613 1.00 0.00 ATOM 933 NZ LYS 139 -2.180 19.452 9.299 1.00 0.00 ATOM 934 O LYS 139 -7.590 15.159 7.409 1.00 0.00 ATOM 935 C LYS 139 -7.518 15.370 8.626 1.00 0.00 ATOM 936 N ALA 140 -8.416 16.080 9.301 1.00 0.00 ATOM 937 CA ALA 140 -9.496 16.807 8.636 1.00 0.00 ATOM 938 CB ALA 140 -10.574 17.189 9.638 1.00 0.00 ATOM 939 O ALA 140 -8.365 18.917 8.718 1.00 0.00 ATOM 940 C ALA 140 -8.912 18.067 8.009 1.00 0.00 TER END