PFRMAT TS TARGET T0411 AUTHOR 4008-1775-0004 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 characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD Model METHOD 1 try6-opt3 optimized from a chimera of metaserver models METHOD and our automatically generated try1 model METHOD The metaserver models were based mainly on Phyre_de_novo_TS1 METHOD METHOD 2 MQAC1-try3 A metaserver model based mainly on Phyre_de_novo_TS1 METHOD METHOD 3 try1-opt3.gromacs0 Our fully automatic model, tweaked by METHOD gromacs to reduce clashes and breaks METHOD METHOD 4 try4-opt3 Optimized from try3-opt3 which was generated from alignments METHOD METHOD 5 try2-opt3 generated from alignments. REMARK 6 REMARK 6 T0411 model 3 Sat Jun 7 10:52:49 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 15.910 4.653 23.412 1.00 0.00 ATOM 2 CA MET 1 15.993 6.022 22.885 1.00 0.00 ATOM 3 CB MET 1 16.168 7.008 24.046 1.00 0.00 ATOM 4 CG MET 1 16.224 8.433 23.524 1.00 0.00 ATOM 5 SD MET 1 16.734 9.625 24.829 1.00 0.00 ATOM 6 CE MET 1 15.400 9.540 26.006 1.00 0.00 ATOM 7 O MET 1 17.064 6.616 20.832 1.00 0.00 ATOM 8 C MET 1 17.209 6.187 21.968 1.00 0.00 ATOM 9 N TRP 2 18.385 5.791 22.466 1.00 0.00 ATOM 10 CA TRP 2 19.641 5.916 21.710 1.00 0.00 ATOM 11 CB TRP 2 20.834 5.382 22.503 1.00 0.00 ATOM 12 CG TRP 2 22.196 5.450 21.797 1.00 0.00 ATOM 13 CD1 TRP 2 22.943 4.385 21.519 1.00 0.00 ATOM 14 CD2 TRP 2 22.900 6.562 21.374 1.00 0.00 ATOM 15 CE2 TRP 2 24.088 6.085 20.827 1.00 0.00 ATOM 16 CE3 TRP 2 22.653 7.923 21.383 1.00 0.00 ATOM 17 NE1 TRP 2 24.080 4.768 20.935 1.00 0.00 ATOM 18 CZ2 TRP 2 25.022 6.964 20.286 1.00 0.00 ATOM 19 CZ3 TRP 2 23.587 8.802 20.843 1.00 0.00 ATOM 20 CH2 TRP 2 24.762 8.324 20.298 1.00 0.00 ATOM 21 O TRP 2 19.980 5.585 19.370 1.00 0.00 ATOM 22 C TRP 2 19.557 5.124 20.416 1.00 0.00 ATOM 23 N LYS 3 18.900 3.976 20.512 1.00 0.00 ATOM 24 CA LYS 3 18.691 3.103 19.348 1.00 0.00 ATOM 25 CB LYS 3 17.924 1.857 19.779 1.00 0.00 ATOM 26 CG LYS 3 17.721 0.908 18.600 1.00 0.00 ATOM 27 CD LYS 3 17.003 -0.337 19.082 1.00 0.00 ATOM 28 CE LYS 3 16.774 -1.213 17.871 1.00 0.00 ATOM 29 NZ LYS 3 16.151 -2.438 18.324 1.00 0.00 ATOM 30 O LYS 3 18.279 3.669 17.065 1.00 0.00 ATOM 31 C LYS 3 17.937 3.816 18.221 1.00 0.00 ATOM 32 N ALA 4 16.912 4.580 18.597 1.00 0.00 ATOM 33 CA ALA 4 16.143 5.358 17.627 1.00 0.00 ATOM 34 CB ALA 4 15.010 6.048 18.378 1.00 0.00 ATOM 35 O ALA 4 17.019 6.467 15.690 1.00 0.00 ATOM 36 C ALA 4 17.023 6.402 16.915 1.00 0.00 ATOM 37 N VAL 5 17.891 7.013 17.710 1.00 0.00 ATOM 38 CA VAL 5 18.892 7.987 17.207 1.00 0.00 ATOM 39 CB VAL 5 19.562 8.625 18.427 1.00 0.00 ATOM 40 CG1 VAL 5 20.857 9.383 18.123 1.00 0.00 ATOM 41 CG2 VAL 5 18.556 9.592 19.046 1.00 0.00 ATOM 42 O VAL 5 20.129 7.738 15.156 1.00 0.00 ATOM 43 C VAL 5 19.894 7.292 16.271 1.00 0.00 ATOM 44 N MET 6 20.348 6.116 16.674 1.00 0.00 ATOM 45 CA MET 6 21.296 5.330 15.859 1.00 0.00 ATOM 46 CB MET 6 21.733 4.084 16.620 1.00 0.00 ATOM 47 CG MET 6 22.581 4.502 17.814 1.00 0.00 ATOM 48 SD MET 6 24.188 5.274 17.396 1.00 0.00 ATOM 49 CE MET 6 25.033 4.011 16.465 1.00 0.00 ATOM 50 O MET 6 21.350 5.021 13.493 1.00 0.00 ATOM 51 C MET 6 20.703 4.907 14.524 1.00 0.00 ATOM 52 N ASN 7 19.443 4.479 14.590 1.00 0.00 ATOM 53 CA ASN 7 18.708 4.073 13.380 1.00 0.00 ATOM 54 CB ASN 7 17.336 3.515 13.687 1.00 0.00 ATOM 55 CG ASN 7 17.467 2.154 14.372 1.00 0.00 ATOM 56 ND2 ASN 7 16.420 1.782 15.055 1.00 0.00 ATOM 57 OD1 ASN 7 18.461 1.452 14.397 1.00 0.00 ATOM 58 O ASN 7 18.920 5.102 11.244 1.00 0.00 ATOM 59 C ASN 7 18.572 5.249 12.413 1.00 0.00 ATOM 60 N ALA 8 18.267 6.406 13.006 1.00 0.00 ATOM 61 CA ALA 8 18.153 7.634 12.240 1.00 0.00 ATOM 62 CB ALA 8 17.656 8.793 13.067 1.00 0.00 ATOM 63 O ALA 8 19.364 7.950 10.376 1.00 0.00 ATOM 64 C ALA 8 19.480 7.960 11.580 1.00 0.00 ATOM 65 N TRP 9 20.621 7.779 12.253 1.00 0.00 ATOM 66 CA TRP 9 21.977 7.894 11.653 1.00 0.00 ATOM 67 CB TRP 9 23.049 7.817 12.752 1.00 0.00 ATOM 68 CG TRP 9 24.485 7.930 12.208 1.00 0.00 ATOM 69 CD1 TRP 9 25.335 6.931 12.050 1.00 0.00 ATOM 70 CD2 TRP 9 25.134 9.065 11.762 1.00 0.00 ATOM 71 CE2 TRP 9 26.384 8.632 11.342 1.00 0.00 ATOM 72 CE3 TRP 9 24.794 10.399 11.748 1.00 0.00 ATOM 73 NE1 TRP 9 26.474 7.332 11.490 1.00 0.00 ATOM 74 CZ2 TRP 9 27.326 9.537 10.927 1.00 0.00 ATOM 75 CZ3 TRP 9 25.740 11.316 11.328 1.00 0.00 ATOM 76 CH2 TRP 9 26.990 10.866 10.945 1.00 0.00 ATOM 77 O TRP 9 21.693 5.715 10.630 1.00 0.00 ATOM 78 C TRP 9 22.233 6.822 10.591 1.00 0.00 ATOM 79 N ASN 10 23.132 7.127 9.661 1.00 0.00 ATOM 80 CA ASN 10 23.513 6.138 8.630 1.00 0.00 ATOM 81 CB ASN 10 24.590 6.753 7.775 1.00 0.00 ATOM 82 CG ASN 10 24.786 6.053 6.437 1.00 0.00 ATOM 83 ND2 ASN 10 25.442 6.710 5.523 1.00 0.00 ATOM 84 OD1 ASN 10 24.307 4.953 6.188 1.00 0.00 ATOM 85 O ASN 10 24.883 5.110 10.264 1.00 0.00 ATOM 86 C ASN 10 24.087 4.929 9.364 1.00 0.00 ATOM 87 N GLY 11 23.777 3.710 8.952 1.00 0.00 ATOM 88 CA GLY 11 24.196 2.490 9.698 1.00 0.00 ATOM 89 O GLY 11 26.305 1.595 10.515 1.00 0.00 ATOM 90 C GLY 11 25.688 2.146 9.593 1.00 0.00 ATOM 91 N THR 12 26.234 2.345 8.408 1.00 0.00 ATOM 92 CA THR 12 27.645 2.007 8.141 1.00 0.00 ATOM 93 CB THR 12 28.003 2.106 6.646 1.00 0.00 ATOM 94 CG2 THR 12 29.448 1.684 6.352 1.00 0.00 ATOM 95 OG1 THR 12 27.137 1.229 5.929 1.00 0.00 ATOM 96 O THR 12 28.360 4.136 9.019 1.00 0.00 ATOM 97 C THR 12 28.548 2.924 8.950 1.00 0.00 ATOM 98 N GLU 13 29.593 2.301 9.481 1.00 0.00 ATOM 99 CA GLU 13 30.600 3.041 10.237 1.00 0.00 ATOM 100 CB GLU 13 31.441 2.023 10.971 1.00 0.00 ATOM 101 CG GLU 13 30.886 1.529 12.291 1.00 0.00 ATOM 102 CD GLU 13 31.778 0.473 12.953 1.00 0.00 ATOM 103 OE1 GLU 13 32.881 0.106 12.496 1.00 0.00 ATOM 104 OE2 GLU 13 31.348 0.076 14.043 1.00 0.00 ATOM 105 O GLU 13 31.837 5.045 9.766 1.00 0.00 ATOM 106 C GLU 13 31.504 3.934 9.371 1.00 0.00 ATOM 107 N SER 14 31.964 3.388 8.253 1.00 0.00 ATOM 108 CA SER 14 32.905 4.099 7.367 1.00 0.00 ATOM 109 CB SER 14 33.847 3.112 6.675 1.00 0.00 ATOM 110 OG SER 14 33.125 2.305 5.744 1.00 0.00 ATOM 111 O SER 14 31.109 4.555 5.803 1.00 0.00 ATOM 112 C SER 14 32.178 4.909 6.299 1.00 0.00 ATOM 113 N GLN 15 32.879 5.933 5.843 1.00 0.00 ATOM 114 CA GLN 15 32.416 6.705 4.684 1.00 0.00 ATOM 115 CB GLN 15 33.195 8.000 4.649 1.00 0.00 ATOM 116 CG GLN 15 32.589 8.905 3.595 1.00 0.00 ATOM 117 CD GLN 15 33.039 10.332 3.826 1.00 0.00 ATOM 118 OE1 GLN 15 33.547 10.758 4.850 1.00 0.00 ATOM 119 NE2 GLN 15 32.931 11.075 2.782 1.00 0.00 ATOM 120 O GLN 15 33.821 5.348 3.309 1.00 0.00 ATOM 121 C GLN 15 32.708 5.878 3.436 1.00 0.00 ATOM 122 N SER 16 31.773 5.936 2.493 1.00 0.00 ATOM 123 CA SER 16 31.866 5.123 1.271 1.00 0.00 ATOM 124 CB SER 16 30.765 4.054 1.217 1.00 0.00 ATOM 125 OG SER 16 29.486 4.574 0.848 1.00 0.00 ATOM 126 O SER 16 31.390 7.046 -0.116 1.00 0.00 ATOM 127 C SER 16 31.934 5.944 -0.011 1.00 0.00 ATOM 128 N LYS 17 32.635 5.385 -0.991 1.00 0.00 ATOM 129 CA LYS 17 32.774 6.014 -2.318 1.00 0.00 ATOM 130 CB LYS 17 33.643 5.161 -3.236 1.00 0.00 ATOM 131 CG LYS 17 35.120 5.265 -2.891 1.00 0.00 ATOM 132 CD LYS 17 35.905 4.253 -3.703 1.00 0.00 ATOM 133 CE LYS 17 37.378 4.287 -3.331 1.00 0.00 ATOM 134 NZ LYS 17 38.226 3.513 -4.241 1.00 0.00 ATOM 135 O LYS 17 31.049 7.245 -3.550 1.00 0.00 ATOM 136 C LYS 17 31.408 6.218 -2.991 1.00 0.00 ATOM 137 N ASN 18 30.609 5.165 -2.974 1.00 0.00 ATOM 138 CA ASN 18 29.267 5.268 -3.548 1.00 0.00 ATOM 139 CB ASN 18 28.507 3.963 -3.536 1.00 0.00 ATOM 140 CG ASN 18 29.070 3.011 -4.568 1.00 0.00 ATOM 141 ND2 ASN 18 28.778 1.766 -4.330 1.00 0.00 ATOM 142 OD1 ASN 18 29.797 3.304 -5.508 1.00 0.00 ATOM 143 O ASN 18 27.997 7.279 -3.447 1.00 0.00 ATOM 144 C ASN 18 28.436 6.326 -2.831 1.00 0.00 ATOM 145 N VAL 19 28.311 6.173 -1.517 1.00 0.00 ATOM 146 CA VAL 19 27.521 7.126 -0.732 1.00 0.00 ATOM 147 CB VAL 19 26.344 6.398 -0.066 1.00 0.00 ATOM 148 CG1 VAL 19 25.516 7.399 0.735 1.00 0.00 ATOM 149 CG2 VAL 19 25.472 5.672 -1.095 1.00 0.00 ATOM 150 O VAL 19 29.088 7.179 1.110 1.00 0.00 ATOM 151 C VAL 19 28.408 7.813 0.318 1.00 0.00 ATOM 152 N SER 20 28.196 9.117 0.440 1.00 0.00 ATOM 153 CA SER 20 28.741 9.851 1.602 1.00 0.00 ATOM 154 CB SER 20 28.532 11.347 1.401 1.00 0.00 ATOM 155 OG SER 20 28.883 12.044 2.590 1.00 0.00 ATOM 156 O SER 20 26.748 9.243 2.745 1.00 0.00 ATOM 157 C SER 20 27.947 9.418 2.839 1.00 0.00 ATOM 158 N ASN 21 28.636 9.162 3.944 1.00 0.00 ATOM 159 CA ASN 21 27.972 8.812 5.199 1.00 0.00 ATOM 160 CB ASN 21 28.988 8.158 6.130 1.00 0.00 ATOM 161 CG ASN 21 28.317 7.814 7.451 1.00 0.00 ATOM 162 ND2 ASN 21 29.068 7.732 8.501 1.00 0.00 ATOM 163 OD1 ASN 21 27.114 7.789 7.604 1.00 0.00 ATOM 164 O ASN 21 27.824 10.705 6.740 1.00 0.00 ATOM 165 C ASN 21 27.303 10.031 5.857 1.00 0.00 ATOM 166 N ILE 22 26.054 10.229 5.461 1.00 0.00 ATOM 167 CA ILE 22 25.271 11.385 5.917 1.00 0.00 ATOM 168 CB ILE 22 24.842 12.259 4.722 1.00 0.00 ATOM 169 CG1 ILE 22 25.990 12.631 3.775 1.00 0.00 ATOM 170 CG2 ILE 22 24.082 13.494 5.190 1.00 0.00 ATOM 171 CD1 ILE 22 27.042 13.577 4.379 1.00 0.00 ATOM 172 O ILE 22 23.416 9.840 6.137 1.00 0.00 ATOM 173 C ILE 22 24.027 10.819 6.583 1.00 0.00 ATOM 174 N GLN 23 23.556 11.593 7.526 1.00 0.00 ATOM 175 CA GLN 23 22.213 11.267 7.958 1.00 0.00 ATOM 176 CB GLN 23 22.151 10.658 9.332 1.00 0.00 ATOM 177 CG GLN 23 20.760 10.065 9.362 1.00 0.00 ATOM 178 CD GLN 23 20.482 8.971 8.308 1.00 0.00 ATOM 179 OE1 GLN 23 21.112 7.949 8.106 1.00 0.00 ATOM 180 NE2 GLN 23 19.300 9.029 7.768 1.00 0.00 ATOM 181 O GLN 23 20.793 13.262 7.774 1.00 0.00 ATOM 182 C GLN 23 21.082 12.131 7.398 1.00 0.00 ATOM 183 N SER 24 20.627 11.564 6.292 1.00 0.00 ATOM 184 CA SER 24 19.523 12.106 5.476 1.00 0.00 ATOM 185 CB SER 24 19.353 11.276 4.198 1.00 0.00 ATOM 186 OG SER 24 20.524 11.403 3.399 1.00 0.00 ATOM 187 O SER 24 17.834 10.957 6.707 1.00 0.00 ATOM 188 C SER 24 18.201 12.015 6.243 1.00 0.00 ATOM 189 N TYR 25 17.457 13.110 6.248 1.00 0.00 ATOM 190 CA TYR 25 16.094 13.144 6.803 1.00 0.00 ATOM 191 CB TYR 25 16.036 14.049 8.042 1.00 0.00 ATOM 192 CG TYR 25 16.377 13.371 9.374 1.00 0.00 ATOM 193 CD1 TYR 25 16.140 14.092 10.527 1.00 0.00 ATOM 194 CD2 TYR 25 16.931 12.102 9.486 1.00 0.00 ATOM 195 CE1 TYR 25 16.482 13.540 11.748 1.00 0.00 ATOM 196 CE2 TYR 25 17.278 11.562 10.702 1.00 0.00 ATOM 197 CZ TYR 25 17.041 12.283 11.855 1.00 0.00 ATOM 198 OH TYR 25 17.141 11.712 13.075 1.00 0.00 ATOM 199 O TYR 25 15.538 14.234 4.765 1.00 0.00 ATOM 200 C TYR 25 15.112 13.696 5.784 1.00 0.00 ATOM 201 N SER 26 13.836 13.461 6.031 1.00 0.00 ATOM 202 CA SER 26 12.744 14.146 5.307 1.00 0.00 ATOM 203 CB SER 26 11.709 13.162 4.748 1.00 0.00 ATOM 204 OG SER 26 11.014 12.533 5.822 1.00 0.00 ATOM 205 O SER 26 12.063 14.898 7.510 1.00 0.00 ATOM 206 C SER 26 12.026 15.069 6.290 1.00 0.00 ATOM 207 N PHE 27 11.259 15.965 5.690 1.00 0.00 ATOM 208 CA PHE 27 10.335 16.896 6.366 1.00 0.00 ATOM 209 CB PHE 27 9.451 17.508 5.258 1.00 0.00 ATOM 210 CG PHE 27 10.173 17.852 3.951 1.00 0.00 ATOM 211 CD1 PHE 27 10.545 16.841 3.053 1.00 0.00 ATOM 212 CD2 PHE 27 10.503 19.165 3.677 1.00 0.00 ATOM 213 CE1 PHE 27 11.259 17.146 1.917 1.00 0.00 ATOM 214 CE2 PHE 27 11.209 19.468 2.530 1.00 0.00 ATOM 215 CZ PHE 27 11.584 18.459 1.656 1.00 0.00 ATOM 216 O PHE 27 9.373 16.398 8.557 1.00 0.00 ATOM 217 C PHE 27 9.425 16.138 7.348 1.00 0.00 ATOM 218 N GLU 28 8.832 15.078 6.807 1.00 0.00 ATOM 219 CA GLU 28 7.894 14.215 7.554 1.00 0.00 ATOM 220 CB GLU 28 7.274 13.180 6.621 1.00 0.00 ATOM 221 CG GLU 28 6.316 13.740 5.566 1.00 0.00 ATOM 222 CD GLU 28 5.821 12.677 4.576 1.00 0.00 ATOM 223 OE1 GLU 28 6.245 11.504 4.645 1.00 0.00 ATOM 224 OE2 GLU 28 4.907 13.032 3.802 1.00 0.00 ATOM 225 O GLU 28 7.953 13.437 9.815 1.00 0.00 ATOM 226 C GLU 28 8.530 13.455 8.722 1.00 0.00 ATOM 227 N ASP 29 9.733 12.928 8.517 1.00 0.00 ATOM 228 CA ASP 29 10.464 12.199 9.565 1.00 0.00 ATOM 229 CB ASP 29 11.710 11.508 9.021 1.00 0.00 ATOM 230 CG ASP 29 11.353 10.277 8.184 1.00 0.00 ATOM 231 OD1 ASP 29 10.225 9.742 8.347 1.00 0.00 ATOM 232 OD2 ASP 29 12.248 9.829 7.448 1.00 0.00 ATOM 233 O ASP 29 10.616 12.802 11.878 1.00 0.00 ATOM 234 C ASP 29 10.876 13.105 10.723 1.00 0.00 ATOM 235 N MET 30 11.298 14.316 10.362 1.00 0.00 ATOM 236 CA MET 30 11.698 15.288 11.371 1.00 0.00 ATOM 237 CB MET 30 12.332 16.469 10.692 1.00 0.00 ATOM 238 CG MET 30 13.033 17.396 11.671 1.00 0.00 ATOM 239 SD MET 30 14.519 16.660 12.403 1.00 0.00 ATOM 240 CE MET 30 13.743 16.094 13.889 1.00 0.00 ATOM 241 O MET 30 10.613 15.774 13.453 1.00 0.00 ATOM 242 C MET 30 10.523 15.760 12.230 1.00 0.00 ATOM 243 N LYS 31 9.387 15.988 11.575 1.00 0.00 ATOM 244 CA LYS 31 8.148 16.323 12.281 1.00 0.00 ATOM 245 CB LYS 31 7.001 16.504 11.292 1.00 0.00 ATOM 246 CG LYS 31 5.736 16.889 12.050 1.00 0.00 ATOM 247 CD LYS 31 4.592 16.850 11.071 1.00 0.00 ATOM 248 CE LYS 31 3.380 16.205 11.702 1.00 0.00 ATOM 249 NZ LYS 31 2.999 16.808 12.976 1.00 0.00 ATOM 250 O LYS 31 7.568 15.459 14.468 1.00 0.00 ATOM 251 C LYS 31 7.801 15.224 13.288 1.00 0.00 ATOM 252 N ARG 32 7.822 13.981 12.805 1.00 0.00 ATOM 253 CA ARG 32 7.582 12.810 13.656 1.00 0.00 ATOM 254 CB ARG 32 7.728 11.511 12.879 1.00 0.00 ATOM 255 CG ARG 32 6.564 11.330 11.919 1.00 0.00 ATOM 256 CD ARG 32 6.705 10.105 11.058 1.00 0.00 ATOM 257 NE ARG 32 5.596 9.919 10.121 1.00 0.00 ATOM 258 CZ ARG 32 5.515 8.896 9.258 1.00 0.00 ATOM 259 NH1 ARG 32 4.513 8.776 8.428 1.00 0.00 ATOM 260 NH2 ARG 32 6.455 7.972 9.193 1.00 0.00 ATOM 261 O ARG 32 8.118 12.629 15.977 1.00 0.00 ATOM 262 C ARG 32 8.547 12.776 14.841 1.00 0.00 ATOM 263 N ILE 33 9.834 12.988 14.552 1.00 0.00 ATOM 264 CA ILE 33 10.890 12.978 15.577 1.00 0.00 ATOM 265 CB ILE 33 12.280 13.277 14.996 1.00 0.00 ATOM 266 CG1 ILE 33 12.671 12.180 14.012 1.00 0.00 ATOM 267 CG2 ILE 33 13.364 13.347 16.080 1.00 0.00 ATOM 268 CD1 ILE 33 13.850 12.526 13.115 1.00 0.00 ATOM 269 O ILE 33 10.538 13.562 17.857 1.00 0.00 ATOM 270 C ILE 33 10.584 13.982 16.701 1.00 0.00 ATOM 271 N VAL 34 10.168 15.173 16.277 1.00 0.00 ATOM 272 CA VAL 34 9.896 16.236 17.263 1.00 0.00 ATOM 273 CB VAL 34 9.792 17.643 16.652 1.00 0.00 ATOM 274 CG1 VAL 34 9.362 18.724 17.658 1.00 0.00 ATOM 275 CG2 VAL 34 11.084 18.063 15.964 1.00 0.00 ATOM 276 O VAL 34 8.731 15.906 19.353 1.00 0.00 ATOM 277 C VAL 34 8.692 15.886 18.127 1.00 0.00 ATOM 278 N GLY 35 7.662 15.446 17.430 1.00 0.00 ATOM 279 CA GLY 35 6.414 15.018 18.067 1.00 0.00 ATOM 280 O GLY 35 5.752 13.557 19.822 1.00 0.00 ATOM 281 C GLY 35 6.635 13.868 19.046 1.00 0.00 ATOM 282 N LYS 36 7.653 13.066 18.804 1.00 0.00 ATOM 283 CA LYS 36 7.855 11.913 19.699 1.00 0.00 ATOM 284 CB LYS 36 8.292 10.730 18.831 1.00 0.00 ATOM 285 CG LYS 36 7.821 9.360 19.352 1.00 0.00 ATOM 286 CD LYS 36 7.615 8.325 18.237 1.00 0.00 ATOM 287 CE LYS 36 6.214 8.387 17.622 1.00 0.00 ATOM 288 NZ LYS 36 6.158 7.725 16.312 1.00 0.00 ATOM 289 O LYS 36 9.010 11.344 21.684 1.00 0.00 ATOM 290 C LYS 36 8.727 12.264 20.918 1.00 0.00 ATOM 291 N HIS 37 8.918 13.578 21.160 1.00 0.00 ATOM 292 CA HIS 37 9.631 14.190 22.305 1.00 0.00 ATOM 293 CB HIS 37 9.567 13.359 23.604 1.00 0.00 ATOM 294 CG HIS 37 8.127 13.163 24.106 1.00 0.00 ATOM 295 CD2 HIS 37 7.344 12.077 24.122 1.00 0.00 ATOM 296 ND1 HIS 37 7.480 14.128 24.736 1.00 0.00 ATOM 297 CE1 HIS 37 6.298 13.651 25.131 1.00 0.00 ATOM 298 NE2 HIS 37 6.208 12.380 24.763 1.00 0.00 ATOM 299 O HIS 37 11.767 15.219 22.769 1.00 0.00 ATOM 300 C HIS 37 11.068 14.608 21.952 1.00 0.00 ATOM 301 N ASP 38 11.558 14.100 20.818 1.00 0.00 ATOM 302 CA ASP 38 12.975 14.235 20.366 1.00 0.00 ATOM 303 CB ASP 38 13.301 15.699 20.071 1.00 0.00 ATOM 304 CG ASP 38 12.517 16.234 18.904 1.00 0.00 ATOM 305 OD1 ASP 38 12.635 15.595 17.842 1.00 0.00 ATOM 306 OD2 ASP 38 11.933 17.325 19.082 1.00 0.00 ATOM 307 O ASP 38 15.070 14.298 21.607 1.00 0.00 ATOM 308 C ASP 38 14.010 13.695 21.369 1.00 0.00 ATOM 309 N PRO 39 13.725 12.549 22.002 1.00 0.00 ATOM 310 CA PRO 39 14.634 11.966 22.990 1.00 0.00 ATOM 311 CB PRO 39 13.888 10.674 23.337 1.00 0.00 ATOM 312 CG PRO 39 12.419 10.970 23.197 1.00 0.00 ATOM 313 CD PRO 39 12.528 11.701 21.883 1.00 0.00 ATOM 314 O PRO 39 16.050 11.092 21.264 1.00 0.00 ATOM 315 C PRO 39 15.981 11.678 22.329 1.00 0.00 ATOM 316 N ASN 40 17.055 12.042 23.027 1.00 0.00 ATOM 317 CA ASN 40 18.438 11.865 22.507 1.00 0.00 ATOM 318 CB ASN 40 18.821 10.398 22.314 1.00 0.00 ATOM 319 CG ASN 40 19.790 9.840 23.342 1.00 0.00 ATOM 320 ND2 ASN 40 19.943 8.549 23.326 1.00 0.00 ATOM 321 OD1 ASN 40 20.463 10.499 24.112 1.00 0.00 ATOM 322 O ASN 40 19.471 12.197 20.348 1.00 0.00 ATOM 323 C ASN 40 18.651 12.590 21.167 1.00 0.00 ATOM 324 N VAL 41 17.996 13.732 21.064 1.00 0.00 ATOM 325 CA VAL 41 18.108 14.606 19.893 1.00 0.00 ATOM 326 CB VAL 41 16.903 14.520 18.957 1.00 0.00 ATOM 327 CG1 VAL 41 17.018 15.487 17.775 1.00 0.00 ATOM 328 CG2 VAL 41 16.800 13.140 18.359 1.00 0.00 ATOM 329 O VAL 41 17.611 16.410 21.433 1.00 0.00 ATOM 330 C VAL 41 18.198 16.018 20.418 1.00 0.00 ATOM 331 N VAL 42 19.067 16.713 19.731 1.00 0.00 ATOM 332 CA VAL 42 19.119 18.133 19.927 1.00 0.00 ATOM 333 CB VAL 42 20.409 18.370 20.703 1.00 0.00 ATOM 334 CG1 VAL 42 20.628 17.720 22.055 1.00 0.00 ATOM 335 CG2 VAL 42 21.588 18.484 19.785 1.00 0.00 ATOM 336 O VAL 42 19.602 18.636 17.591 1.00 0.00 ATOM 337 C VAL 42 18.929 18.879 18.598 1.00 0.00 ATOM 338 N LEU 43 17.909 19.735 18.596 1.00 0.00 ATOM 339 CA LEU 43 17.554 20.507 17.391 1.00 0.00 ATOM 340 CB LEU 43 16.038 20.682 17.289 1.00 0.00 ATOM 341 CG LEU 43 15.248 19.366 17.228 1.00 0.00 ATOM 342 CD1 LEU 43 13.763 19.705 17.327 1.00 0.00 ATOM 343 CD2 LEU 43 15.540 18.579 15.958 1.00 0.00 ATOM 344 O LEU 43 17.990 22.643 18.391 1.00 0.00 ATOM 345 C LEU 43 18.226 21.880 17.466 1.00 0.00 ATOM 346 N VAL 44 19.156 22.101 16.547 1.00 0.00 ATOM 347 CA VAL 44 19.943 23.339 16.522 1.00 0.00 ATOM 348 CB VAL 44 21.450 23.048 16.364 1.00 0.00 ATOM 349 CG1 VAL 44 22.287 24.321 16.413 1.00 0.00 ATOM 350 CG2 VAL 44 21.951 22.045 17.410 1.00 0.00 ATOM 351 O VAL 44 19.567 23.926 14.208 1.00 0.00 ATOM 352 C VAL 44 19.461 24.255 15.390 1.00 0.00 ATOM 353 N ASP 45 19.020 25.429 15.789 1.00 0.00 ATOM 354 CA ASP 45 18.642 26.487 14.841 1.00 0.00 ATOM 355 CB ASP 45 17.570 27.327 15.522 1.00 0.00 ATOM 356 CG ASP 45 16.985 28.328 14.541 1.00 0.00 ATOM 357 OD1 ASP 45 17.596 28.787 13.566 1.00 0.00 ATOM 358 OD2 ASP 45 15.824 28.576 14.795 1.00 0.00 ATOM 359 O ASP 45 20.400 27.979 15.521 1.00 0.00 ATOM 360 C ASP 45 19.849 27.388 14.590 1.00 0.00 ATOM 361 N VAL 46 20.296 27.419 13.337 1.00 0.00 ATOM 362 CA VAL 46 21.493 28.200 12.971 1.00 0.00 ATOM 363 CB VAL 46 22.408 27.409 12.012 1.00 0.00 ATOM 364 CG1 VAL 46 22.920 26.122 12.658 1.00 0.00 ATOM 365 CG2 VAL 46 21.738 27.099 10.672 1.00 0.00 ATOM 366 O VAL 46 22.126 30.286 11.909 1.00 0.00 ATOM 367 C VAL 46 21.214 29.595 12.387 1.00 0.00 ATOM 368 N ARG 47 19.930 29.923 12.317 1.00 0.00 ATOM 369 CA ARG 47 19.473 31.175 11.686 1.00 0.00 ATOM 370 CB ARG 47 17.958 31.151 11.488 1.00 0.00 ATOM 371 CG ARG 47 17.568 29.991 10.570 1.00 0.00 ATOM 372 CD ARG 47 16.062 29.824 10.433 1.00 0.00 ATOM 373 NE ARG 47 15.435 29.496 11.719 1.00 0.00 ATOM 374 CZ ARG 47 14.257 29.965 12.125 1.00 0.00 ATOM 375 NH1 ARG 47 13.537 30.794 11.398 1.00 0.00 ATOM 376 NH2 ARG 47 13.805 29.707 13.325 1.00 0.00 ATOM 377 O ARG 47 19.875 32.387 13.758 1.00 0.00 ATOM 378 C ARG 47 19.831 32.407 12.523 1.00 0.00 ATOM 379 N GLU 48 20.065 33.487 11.783 1.00 0.00 ATOM 380 CA GLU 48 20.177 34.833 12.369 1.00 0.00 ATOM 381 CB GLU 48 20.237 35.906 11.281 1.00 0.00 ATOM 382 CG GLU 48 20.480 37.323 11.839 1.00 0.00 ATOM 383 CD GLU 48 20.626 38.411 10.756 1.00 0.00 ATOM 384 OE1 GLU 48 20.600 38.079 9.551 1.00 0.00 ATOM 385 OE2 GLU 48 20.857 39.574 11.134 1.00 0.00 ATOM 386 O GLU 48 17.828 34.669 12.856 1.00 0.00 ATOM 387 C GLU 48 18.931 35.036 13.245 1.00 0.00 ATOM 388 N PRO 49 19.146 35.603 14.435 1.00 0.00 ATOM 389 CA PRO 49 18.084 35.839 15.418 1.00 0.00 ATOM 390 CB PRO 49 18.742 36.739 16.424 1.00 0.00 ATOM 391 CG PRO 49 20.095 36.099 16.454 1.00 0.00 ATOM 392 CD PRO 49 20.450 35.988 14.991 1.00 0.00 ATOM 393 O PRO 49 15.792 36.115 15.114 1.00 0.00 ATOM 394 C PRO 49 16.884 36.526 14.802 1.00 0.00 ATOM 395 N SER 50 17.074 37.382 13.824 1.00 0.00 ATOM 396 CA SER 50 15.939 37.993 13.096 1.00 0.00 ATOM 397 CB SER 50 16.439 38.974 12.065 1.00 0.00 ATOM 398 OG SER 50 17.039 40.026 12.806 1.00 0.00 ATOM 399 O SER 50 13.866 37.229 12.174 1.00 0.00 ATOM 400 C SER 50 15.068 37.016 12.313 1.00 0.00 ATOM 401 N GLU 51 15.715 36.051 11.683 1.00 0.00 ATOM 402 CA GLU 51 14.986 35.009 10.949 1.00 0.00 ATOM 403 CB GLU 51 15.956 34.093 10.201 1.00 0.00 ATOM 404 CG GLU 51 16.693 34.854 9.110 1.00 0.00 ATOM 405 CD GLU 51 17.746 33.989 8.428 1.00 0.00 ATOM 406 OE1 GLU 51 17.812 32.770 8.684 1.00 0.00 ATOM 407 OE2 GLU 51 18.423 34.609 7.583 1.00 0.00 ATOM 408 O GLU 51 12.979 34.089 11.910 1.00 0.00 ATOM 409 C GLU 51 14.211 34.149 11.946 1.00 0.00 ATOM 410 N TYR 52 14.959 33.612 12.899 1.00 0.00 ATOM 411 CA TYR 52 14.407 32.796 13.990 1.00 0.00 ATOM 412 CB TYR 52 15.589 32.173 14.737 1.00 0.00 ATOM 413 CG TYR 52 15.266 31.735 16.169 1.00 0.00 ATOM 414 CD1 TYR 52 14.781 30.493 16.472 1.00 0.00 ATOM 415 CD2 TYR 52 15.432 32.624 17.194 1.00 0.00 ATOM 416 CE1 TYR 52 14.512 30.133 17.775 1.00 0.00 ATOM 417 CE2 TYR 52 15.124 32.301 18.504 1.00 0.00 ATOM 418 CZ TYR 52 14.640 31.036 18.792 1.00 0.00 ATOM 419 OH TYR 52 14.221 30.723 20.035 1.00 0.00 ATOM 420 O TYR 52 12.393 32.960 15.251 1.00 0.00 ATOM 421 C TYR 52 13.404 33.536 14.895 1.00 0.00 ATOM 422 N SER 53 13.619 34.834 15.086 1.00 0.00 ATOM 423 CA SER 53 12.764 35.682 15.949 1.00 0.00 ATOM 424 CB SER 53 13.282 37.111 16.154 1.00 0.00 ATOM 425 OG SER 53 13.328 37.878 14.938 1.00 0.00 ATOM 426 O SER 53 10.404 35.955 16.206 1.00 0.00 ATOM 427 C SER 53 11.329 35.731 15.442 1.00 0.00 ATOM 428 N ILE 54 11.177 35.633 14.114 1.00 0.00 ATOM 429 CA ILE 54 9.838 35.585 13.498 1.00 0.00 ATOM 430 CB ILE 54 9.943 35.645 11.967 1.00 0.00 ATOM 431 CG1 ILE 54 10.602 36.979 11.592 1.00 0.00 ATOM 432 CG2 ILE 54 8.558 35.499 11.307 1.00 0.00 ATOM 433 CD1 ILE 54 11.228 36.974 10.206 1.00 0.00 ATOM 434 O ILE 54 7.872 34.438 14.165 1.00 0.00 ATOM 435 C ILE 54 9.085 34.342 13.989 1.00 0.00 ATOM 436 N VAL 55 9.743 33.196 13.895 1.00 0.00 ATOM 437 CA VAL 55 9.234 31.885 14.340 1.00 0.00 ATOM 438 CB VAL 55 8.098 31.406 13.407 1.00 0.00 ATOM 439 CG1 VAL 55 8.517 31.278 11.931 1.00 0.00 ATOM 440 CG2 VAL 55 7.546 30.067 13.879 1.00 0.00 ATOM 441 O VAL 55 11.280 30.901 13.537 1.00 0.00 ATOM 442 C VAL 55 10.391 30.881 14.386 1.00 0.00 ATOM 443 N HIS 56 10.160 29.843 15.190 1.00 0.00 ATOM 444 CA HIS 56 11.046 28.671 15.227 1.00 0.00 ATOM 445 CB HIS 56 12.149 28.916 16.217 1.00 0.00 ATOM 446 CG HIS 56 11.737 29.090 17.674 1.00 0.00 ATOM 447 CD2 HIS 56 11.187 30.168 18.201 1.00 0.00 ATOM 448 ND1 HIS 56 12.089 28.250 18.639 1.00 0.00 ATOM 449 CE1 HIS 56 11.752 28.821 19.785 1.00 0.00 ATOM 450 NE2 HIS 56 11.195 29.983 19.516 1.00 0.00 ATOM 451 O HIS 56 9.215 27.295 15.920 1.00 0.00 ATOM 452 C HIS 56 10.391 27.343 15.581 1.00 0.00 ATOM 453 N ILE 57 11.211 26.306 15.441 1.00 0.00 ATOM 454 CA ILE 57 10.830 24.962 15.899 1.00 0.00 ATOM 455 CB ILE 57 11.763 23.861 15.376 1.00 0.00 ATOM 456 CG1 ILE 57 11.637 23.809 13.854 1.00 0.00 ATOM 457 CG2 ILE 57 11.370 22.482 15.936 1.00 0.00 ATOM 458 CD1 ILE 57 12.772 23.102 13.103 1.00 0.00 ATOM 459 O ILE 57 11.819 25.372 18.048 1.00 0.00 ATOM 460 C ILE 57 10.823 24.994 17.436 1.00 0.00 ATOM 461 N PRO 58 9.713 24.563 18.030 1.00 0.00 ATOM 462 CA PRO 58 9.615 24.543 19.489 1.00 0.00 ATOM 463 CB PRO 58 8.283 23.891 19.748 1.00 0.00 ATOM 464 CG PRO 58 7.427 24.232 18.539 1.00 0.00 ATOM 465 CD PRO 58 8.439 24.150 17.401 1.00 0.00 ATOM 466 O PRO 58 11.105 22.698 19.551 1.00 0.00 ATOM 467 C PRO 58 10.734 23.732 20.098 1.00 0.00 ATOM 468 N ALA 59 11.298 24.264 21.194 1.00 0.00 ATOM 469 CA ALA 59 12.377 23.607 21.952 1.00 0.00 ATOM 470 CB ALA 59 11.973 22.172 22.330 1.00 0.00 ATOM 471 O ALA 59 14.649 22.795 21.584 1.00 0.00 ATOM 472 C ALA 59 13.742 23.558 21.229 1.00 0.00 ATOM 473 N SER 60 13.864 24.330 20.159 1.00 0.00 ATOM 474 CA SER 60 15.134 24.416 19.423 1.00 0.00 ATOM 475 CB SER 60 14.965 25.030 18.037 1.00 0.00 ATOM 476 OG SER 60 14.240 24.114 17.217 1.00 0.00 ATOM 477 O SER 60 15.812 26.010 21.121 1.00 0.00 ATOM 478 C SER 60 16.145 25.239 20.221 1.00 0.00 ATOM 479 N ILE 61 17.380 25.055 19.824 1.00 0.00 ATOM 480 CA ILE 61 18.446 25.852 20.422 1.00 0.00 ATOM 481 CB ILE 61 19.501 24.957 21.026 1.00 0.00 ATOM 482 CG1 ILE 61 18.958 24.043 22.109 1.00 0.00 ATOM 483 CG2 ILE 61 20.433 25.904 21.703 1.00 0.00 ATOM 484 CD1 ILE 61 18.341 24.547 23.413 1.00 0.00 ATOM 485 O ILE 61 19.531 26.266 18.332 1.00 0.00 ATOM 486 C ILE 61 19.045 26.744 19.361 1.00 0.00 ATOM 487 N ASN 62 19.136 28.008 19.737 1.00 0.00 ATOM 488 CA ASN 62 19.679 29.001 18.816 1.00 0.00 ATOM 489 CB ASN 62 19.042 30.356 19.070 1.00 0.00 ATOM 490 CG ASN 62 19.494 31.354 18.012 1.00 0.00 ATOM 491 ND2 ASN 62 18.674 32.327 17.828 1.00 0.00 ATOM 492 OD1 ASN 62 20.537 31.342 17.379 1.00 0.00 ATOM 493 O ASN 62 21.717 29.562 19.963 1.00 0.00 ATOM 494 C ASN 62 21.194 29.134 18.940 1.00 0.00 ATOM 495 N VAL 63 21.848 28.806 17.832 1.00 0.00 ATOM 496 CA VAL 63 23.268 29.121 17.646 1.00 0.00 ATOM 497 CB VAL 63 24.195 27.959 17.999 1.00 0.00 ATOM 498 CG1 VAL 63 25.662 28.362 17.911 1.00 0.00 ATOM 499 CG2 VAL 63 24.023 27.706 19.475 1.00 0.00 ATOM 500 O VAL 63 23.416 28.752 15.295 1.00 0.00 ATOM 501 C VAL 63 23.473 29.582 16.204 1.00 0.00 ATOM 502 N PRO 64 23.721 30.876 15.995 1.00 0.00 ATOM 503 CA PRO 64 23.916 31.400 14.636 1.00 0.00 ATOM 504 CB PRO 64 24.277 32.876 14.831 1.00 0.00 ATOM 505 CG PRO 64 23.631 33.227 16.172 1.00 0.00 ATOM 506 CD PRO 64 23.822 31.949 16.999 1.00 0.00 ATOM 507 O PRO 64 26.051 30.272 14.608 1.00 0.00 ATOM 508 C PRO 64 25.056 30.615 13.977 1.00 0.00 ATOM 509 N TYR 65 24.951 30.441 12.674 1.00 0.00 ATOM 510 CA TYR 65 25.938 29.632 11.920 1.00 0.00 ATOM 511 CB TYR 65 25.594 29.644 10.424 1.00 0.00 ATOM 512 CG TYR 65 26.627 28.862 9.606 1.00 0.00 ATOM 513 CD1 TYR 65 26.556 27.484 9.564 1.00 0.00 ATOM 514 CD2 TYR 65 27.629 29.513 8.912 1.00 0.00 ATOM 515 CE1 TYR 65 27.481 26.796 8.819 1.00 0.00 ATOM 516 CE2 TYR 65 28.564 28.803 8.162 1.00 0.00 ATOM 517 CZ TYR 65 28.485 27.429 8.125 1.00 0.00 ATOM 518 OH TYR 65 29.406 26.690 7.469 1.00 0.00 ATOM 519 O TYR 65 28.303 29.372 12.355 1.00 0.00 ATOM 520 C TYR 65 27.375 30.135 12.113 1.00 0.00 ATOM 521 N ARG 66 27.491 31.455 12.180 1.00 0.00 ATOM 522 CA ARG 66 28.780 32.139 12.317 1.00 0.00 ATOM 523 CB ARG 66 28.583 33.611 11.975 1.00 0.00 ATOM 524 CG ARG 66 27.626 34.442 12.810 1.00 0.00 ATOM 525 CD ARG 66 27.538 35.791 12.120 1.00 0.00 ATOM 526 NE ARG 66 26.758 36.710 12.954 1.00 0.00 ATOM 527 CZ ARG 66 27.307 37.327 14.000 1.00 0.00 ATOM 528 NH1 ARG 66 28.573 37.158 14.327 1.00 0.00 ATOM 529 NH2 ARG 66 26.608 38.154 14.720 1.00 0.00 ATOM 530 O ARG 66 30.698 32.234 13.762 1.00 0.00 ATOM 531 C ARG 66 29.519 31.910 13.649 1.00 0.00 ATOM 532 N SER 67 28.764 31.494 14.658 1.00 0.00 ATOM 533 CA SER 67 29.297 31.197 16.011 1.00 0.00 ATOM 534 CB SER 67 28.366 31.739 17.087 1.00 0.00 ATOM 535 OG SER 67 27.094 31.104 17.004 1.00 0.00 ATOM 536 O SER 67 29.965 29.306 17.355 1.00 0.00 ATOM 537 C SER 67 29.462 29.692 16.300 1.00 0.00 ATOM 538 N HIS 68 29.068 28.862 15.336 1.00 0.00 ATOM 539 CA HIS 68 28.939 27.393 15.489 1.00 0.00 ATOM 540 CB HIS 68 28.481 26.821 14.138 1.00 0.00 ATOM 541 CG HIS 68 28.328 25.301 14.127 1.00 0.00 ATOM 542 CD2 HIS 68 28.413 24.496 13.070 1.00 0.00 ATOM 543 ND1 HIS 68 28.007 24.549 15.177 1.00 0.00 ATOM 544 CE1 HIS 68 27.881 23.303 14.771 1.00 0.00 ATOM 545 NE2 HIS 68 28.135 23.254 13.467 1.00 0.00 ATOM 546 O HIS 68 30.146 25.927 16.960 1.00 0.00 ATOM 547 C HIS 68 30.225 26.696 15.995 1.00 0.00 ATOM 548 N PRO 69 31.395 26.960 15.398 1.00 0.00 ATOM 549 CA PRO 69 32.658 26.334 15.835 1.00 0.00 ATOM 550 CB PRO 69 33.716 26.841 14.862 1.00 0.00 ATOM 551 CG PRO 69 32.919 27.088 13.590 1.00 0.00 ATOM 552 CD PRO 69 31.645 27.725 14.151 1.00 0.00 ATOM 553 O PRO 69 33.623 25.847 17.973 1.00 0.00 ATOM 554 C PRO 69 33.023 26.671 17.280 1.00 0.00 ATOM 555 N ASP 70 32.452 27.770 17.777 1.00 0.00 ATOM 556 CA ASP 70 32.693 28.139 19.171 1.00 0.00 ATOM 557 CB ASP 70 33.227 29.561 19.222 1.00 0.00 ATOM 558 CG ASP 70 34.724 29.602 18.861 1.00 0.00 ATOM 559 OD1 ASP 70 35.342 28.515 18.729 1.00 0.00 ATOM 560 OD2 ASP 70 35.280 30.709 18.721 1.00 0.00 ATOM 561 O ASP 70 31.554 28.074 21.286 1.00 0.00 ATOM 562 C ASP 70 31.513 27.834 20.084 1.00 0.00 ATOM 563 N ALA 71 30.651 26.967 19.568 1.00 0.00 ATOM 564 CA ALA 71 29.505 26.459 20.314 1.00 0.00 ATOM 565 CB ALA 71 28.242 26.560 19.465 1.00 0.00 ATOM 566 O ALA 71 28.797 24.481 21.378 1.00 0.00 ATOM 567 C ALA 71 29.723 25.015 20.780 1.00 0.00 ATOM 568 N PHE 72 30.710 24.297 20.258 1.00 0.00 ATOM 569 CA PHE 72 31.048 22.966 20.800 1.00 0.00 ATOM 570 CB PHE 72 31.753 22.127 19.730 1.00 0.00 ATOM 571 CG PHE 72 30.942 21.730 18.505 1.00 0.00 ATOM 572 CD1 PHE 72 29.617 21.401 18.638 1.00 0.00 ATOM 573 CD2 PHE 72 31.537 21.724 17.258 1.00 0.00 ATOM 574 CE1 PHE 72 28.869 21.087 17.517 1.00 0.00 ATOM 575 CE2 PHE 72 30.817 21.401 16.126 1.00 0.00 ATOM 576 CZ PHE 72 29.478 21.094 16.277 1.00 0.00 ATOM 577 O PHE 72 31.709 22.385 23.047 1.00 0.00 ATOM 578 C PHE 72 31.974 23.004 22.017 1.00 0.00 ATOM 579 N ALA 73 33.008 23.814 21.898 1.00 0.00 ATOM 580 CA ALA 73 34.061 23.798 22.907 1.00 0.00 ATOM 581 CB ALA 73 35.380 24.163 22.214 1.00 0.00 ATOM 582 O ALA 73 33.279 25.774 24.059 1.00 0.00 ATOM 583 C ALA 73 33.639 24.617 24.139 1.00 0.00 ATOM 584 N LEU 74 33.573 23.951 25.281 1.00 0.00 ATOM 585 CA LEU 74 33.175 24.588 26.556 1.00 0.00 ATOM 586 CB LEU 74 32.857 23.451 27.543 1.00 0.00 ATOM 587 CG LEU 74 32.488 23.763 28.998 1.00 0.00 ATOM 588 CD1 LEU 74 31.418 24.811 29.257 1.00 0.00 ATOM 589 CD2 LEU 74 32.050 22.451 29.648 1.00 0.00 ATOM 590 O LEU 74 33.693 26.570 27.839 1.00 0.00 ATOM 591 C LEU 74 34.095 25.733 27.027 1.00 0.00 ATOM 592 N ASP 75 35.281 25.830 26.425 1.00 0.00 ATOM 593 CA ASP 75 36.251 26.929 26.647 1.00 0.00 ATOM 594 CB ASP 75 37.697 26.446 26.520 1.00 0.00 ATOM 595 CG ASP 75 38.108 25.358 27.526 1.00 0.00 ATOM 596 OD1 ASP 75 37.759 25.458 28.701 1.00 0.00 ATOM 597 OD2 ASP 75 38.676 24.347 27.077 1.00 0.00 ATOM 598 O ASP 75 36.774 29.136 25.871 1.00 0.00 ATOM 599 C ASP 75 36.031 28.155 25.731 1.00 0.00 ATOM 600 N PRO 76 35.339 28.039 24.585 1.00 0.00 ATOM 601 CA PRO 76 34.816 29.261 23.972 1.00 0.00 ATOM 602 CB PRO 76 34.273 28.913 22.591 1.00 0.00 ATOM 603 CG PRO 76 34.792 27.505 22.325 1.00 0.00 ATOM 604 CD PRO 76 35.789 27.218 23.456 1.00 0.00 ATOM 605 O PRO 76 32.875 29.599 25.383 1.00 0.00 ATOM 606 C PRO 76 33.800 30.080 24.737 1.00 0.00 ATOM 607 N LEU 77 33.970 31.370 24.480 1.00 0.00 ATOM 608 CA LEU 77 33.064 32.404 24.990 1.00 0.00 ATOM 609 CB LEU 77 33.571 33.798 24.600 1.00 0.00 ATOM 610 CG LEU 77 34.894 34.153 25.278 1.00 0.00 ATOM 611 CD1 LEU 77 35.307 35.499 24.741 1.00 0.00 ATOM 612 CD2 LEU 77 34.836 34.307 26.796 1.00 0.00 ATOM 613 O LEU 77 30.647 32.494 25.111 1.00 0.00 ATOM 614 C LEU 77 31.646 32.239 24.446 1.00 0.00 ATOM 615 N GLU 78 31.552 31.806 23.187 1.00 0.00 ATOM 616 CA GLU 78 30.258 31.600 22.517 1.00 0.00 ATOM 617 CB GLU 78 30.381 31.447 21.011 1.00 0.00 ATOM 618 CG GLU 78 30.982 32.677 20.334 1.00 0.00 ATOM 619 CD GLU 78 32.515 32.789 20.465 1.00 0.00 ATOM 620 OE1 GLU 78 33.171 31.898 21.042 1.00 0.00 ATOM 621 OE2 GLU 78 32.970 33.862 20.030 1.00 0.00 ATOM 622 O GLU 78 28.373 30.512 23.463 1.00 0.00 ATOM 623 C GLU 78 29.542 30.385 23.093 1.00 0.00 ATOM 624 N PHE 79 30.294 29.331 23.346 1.00 0.00 ATOM 625 CA PHE 79 29.727 28.132 23.976 1.00 0.00 ATOM 626 CB PHE 79 30.754 27.010 23.981 1.00 0.00 ATOM 627 CG PHE 79 30.276 25.765 24.708 1.00 0.00 ATOM 628 CD1 PHE 79 29.817 24.693 23.986 1.00 0.00 ATOM 629 CD2 PHE 79 30.276 25.644 26.067 1.00 0.00 ATOM 630 CE1 PHE 79 29.335 23.514 24.514 1.00 0.00 ATOM 631 CE2 PHE 79 29.766 24.473 26.607 1.00 0.00 ATOM 632 CZ PHE 79 29.305 23.407 25.877 1.00 0.00 ATOM 633 O PHE 79 28.292 27.893 25.887 1.00 0.00 ATOM 634 C PHE 79 29.294 28.414 25.411 1.00 0.00 ATOM 635 N GLU 80 30.062 29.274 26.088 1.00 0.00 ATOM 636 CA GLU 80 29.736 29.688 27.456 1.00 0.00 ATOM 637 CB GLU 80 30.820 30.641 27.936 1.00 0.00 ATOM 638 CG GLU 80 30.553 31.103 29.360 1.00 0.00 ATOM 639 CD GLU 80 31.522 32.183 29.826 1.00 0.00 ATOM 640 OE1 GLU 80 32.488 32.521 29.101 1.00 0.00 ATOM 641 OE2 GLU 80 31.211 32.697 30.905 1.00 0.00 ATOM 642 O GLU 80 27.516 30.131 28.311 1.00 0.00 ATOM 643 C GLU 80 28.381 30.399 27.473 1.00 0.00 ATOM 644 N LYS 81 28.238 31.331 26.528 1.00 0.00 ATOM 645 CA LYS 81 27.005 32.110 26.383 1.00 0.00 ATOM 646 CB LYS 81 27.133 33.202 25.331 1.00 0.00 ATOM 647 CG LYS 81 28.026 34.338 25.814 1.00 0.00 ATOM 648 CD LYS 81 28.060 35.414 24.746 1.00 0.00 ATOM 649 CE LYS 81 29.011 36.543 25.114 1.00 0.00 ATOM 650 NZ LYS 81 29.094 37.555 24.042 1.00 0.00 ATOM 651 O LYS 81 24.796 31.313 26.674 1.00 0.00 ATOM 652 C LYS 81 25.832 31.207 26.028 1.00 0.00 ATOM 653 N GLN 82 26.046 30.347 25.031 1.00 0.00 ATOM 654 CA GLN 82 24.973 29.515 24.459 1.00 0.00 ATOM 655 CB GLN 82 24.271 30.269 23.324 1.00 0.00 ATOM 656 CG GLN 82 23.599 31.576 23.761 1.00 0.00 ATOM 657 CD GLN 82 22.546 31.374 24.852 1.00 0.00 ATOM 658 OE1 GLN 82 22.001 30.298 25.035 1.00 0.00 ATOM 659 NE2 GLN 82 22.398 32.355 25.734 1.00 0.00 ATOM 660 O GLN 82 26.738 28.016 23.734 1.00 0.00 ATOM 661 C GLN 82 25.542 28.190 23.933 1.00 0.00 ATOM 662 N ILE 83 24.643 27.277 23.638 1.00 0.00 ATOM 663 CA ILE 83 25.058 25.964 23.102 1.00 0.00 ATOM 664 CB ILE 83 25.140 24.913 24.249 1.00 0.00 ATOM 665 CG1 ILE 83 25.355 23.492 23.743 1.00 0.00 ATOM 666 CG2 ILE 83 23.925 24.906 25.185 1.00 0.00 ATOM 667 CD1 ILE 83 26.633 23.294 22.949 1.00 0.00 ATOM 668 O ILE 83 22.909 25.627 22.481 1.00 0.00 ATOM 669 C ILE 83 24.029 25.570 22.070 1.00 0.00 ATOM 670 N GLY 84 24.420 25.073 20.902 1.00 0.00 ATOM 671 CA GLY 84 23.507 24.581 19.854 1.00 0.00 ATOM 672 O GLY 84 21.586 23.216 20.097 1.00 0.00 ATOM 673 C GLY 84 22.784 23.340 20.304 1.00 0.00 ATOM 674 N ILE 85 23.574 22.452 20.868 1.00 0.00 ATOM 675 CA ILE 85 23.113 21.177 21.425 1.00 0.00 ATOM 676 CB ILE 85 24.311 20.300 21.829 1.00 0.00 ATOM 677 CG1 ILE 85 25.217 20.031 20.612 1.00 0.00 ATOM 678 CG2 ILE 85 23.852 18.991 22.485 1.00 0.00 ATOM 679 CD1 ILE 85 26.552 19.354 20.962 1.00 0.00 ATOM 680 O ILE 85 22.631 21.972 23.642 1.00 0.00 ATOM 681 C ILE 85 22.180 21.471 22.616 1.00 0.00 ATOM 682 N PRO 86 20.878 21.146 22.491 1.00 0.00 ATOM 683 CA PRO 86 19.920 21.227 23.605 1.00 0.00 ATOM 684 CB PRO 86 18.649 20.555 23.071 1.00 0.00 ATOM 685 CG PRO 86 18.629 20.933 21.595 1.00 0.00 ATOM 686 CD PRO 86 20.102 21.222 21.247 1.00 0.00 ATOM 687 O PRO 86 20.127 21.320 25.981 1.00 0.00 ATOM 688 C PRO 86 20.364 20.688 24.961 1.00 0.00 ATOM 689 N LYS 87 21.001 19.525 25.018 1.00 0.00 ATOM 690 CA LYS 87 21.531 19.000 26.279 1.00 0.00 ATOM 691 CB LYS 87 21.781 17.536 26.054 1.00 0.00 ATOM 692 CG LYS 87 22.441 16.813 27.219 1.00 0.00 ATOM 693 CD LYS 87 21.452 16.374 28.283 1.00 0.00 ATOM 694 CE LYS 87 22.132 15.287 29.103 1.00 0.00 ATOM 695 NZ LYS 87 22.552 14.218 28.192 1.00 0.00 ATOM 696 O LYS 87 23.760 19.538 25.714 1.00 0.00 ATOM 697 C LYS 87 22.907 19.621 26.588 1.00 0.00 ATOM 698 N PRO 88 23.182 19.917 27.865 1.00 0.00 ATOM 699 CA PRO 88 24.533 20.322 28.303 1.00 0.00 ATOM 700 CB PRO 88 24.365 20.812 29.738 1.00 0.00 ATOM 701 CG PRO 88 23.058 20.177 30.200 1.00 0.00 ATOM 702 CD PRO 88 22.202 20.111 28.950 1.00 0.00 ATOM 703 O PRO 88 25.121 18.000 28.448 1.00 0.00 ATOM 704 C PRO 88 25.506 19.145 28.185 1.00 0.00 ATOM 705 N ASP 89 26.680 19.440 27.644 1.00 0.00 ATOM 706 CA ASP 89 27.695 18.392 27.347 1.00 0.00 ATOM 707 CB ASP 89 28.282 18.189 28.801 1.00 0.00 ATOM 708 CG ASP 89 29.566 17.456 29.259 1.00 0.00 ATOM 709 OD1 ASP 89 30.619 17.760 28.676 1.00 0.00 ATOM 710 OD2 ASP 89 29.485 16.675 30.254 1.00 0.00 ATOM 711 O ASP 89 28.003 16.228 26.960 1.00 0.00 ATOM 712 C ASP 89 27.305 17.082 26.525 1.00 0.00 ATOM 713 N SER 90 26.775 16.679 25.301 1.00 0.00 ATOM 714 CA SER 90 25.927 15.424 25.072 1.00 0.00 ATOM 715 CB SER 90 24.511 15.909 24.828 1.00 0.00 ATOM 716 OG SER 90 23.493 14.924 25.094 1.00 0.00 ATOM 717 O SER 90 26.089 14.495 22.819 1.00 0.00 ATOM 718 C SER 90 26.023 14.243 24.017 1.00 0.00 ATOM 719 N ALA 91 25.512 13.028 24.356 1.00 0.00 ATOM 720 CA ALA 91 25.369 11.801 23.516 1.00 0.00 ATOM 721 CB ALA 91 25.591 10.551 24.379 1.00 0.00 ATOM 722 O ALA 91 23.138 10.862 23.106 1.00 0.00 ATOM 723 C ALA 91 24.020 11.663 22.756 1.00 0.00 ATOM 724 N LYS 92 23.864 12.523 21.765 1.00 0.00 ATOM 725 CA LYS 92 22.587 12.706 21.036 1.00 0.00 ATOM 726 CB LYS 92 21.849 13.928 21.612 1.00 0.00 ATOM 727 CG LYS 92 21.434 13.712 23.065 1.00 0.00 ATOM 728 CD LYS 92 20.619 14.912 23.532 1.00 0.00 ATOM 729 CE LYS 92 20.217 14.873 25.003 1.00 0.00 ATOM 730 NZ LYS 92 19.328 15.971 25.429 1.00 0.00 ATOM 731 O LYS 92 23.909 13.194 19.069 1.00 0.00 ATOM 732 C LYS 92 22.804 12.970 19.533 1.00 0.00 ATOM 733 N GLU 93 21.746 12.798 18.778 1.00 0.00 ATOM 734 CA GLU 93 21.724 13.329 17.405 1.00 0.00 ATOM 735 CB GLU 93 20.540 12.772 16.649 1.00 0.00 ATOM 736 CG GLU 93 21.261 11.714 15.856 1.00 0.00 ATOM 737 CD GLU 93 20.547 11.216 14.630 1.00 0.00 ATOM 738 OE1 GLU 93 19.834 12.024 13.997 1.00 0.00 ATOM 739 OE2 GLU 93 20.854 10.069 14.276 1.00 0.00 ATOM 740 O GLU 93 20.732 15.384 18.066 1.00 0.00 ATOM 741 C GLU 93 21.592 14.835 17.366 1.00 0.00 ATOM 742 N LEU 94 22.365 15.459 16.492 1.00 0.00 ATOM 743 CA LEU 94 22.279 16.916 16.326 1.00 0.00 ATOM 744 CB LEU 94 23.627 17.636 16.511 1.00 0.00 ATOM 745 CG LEU 94 24.621 17.051 17.541 1.00 0.00 ATOM 746 CD1 LEU 94 25.878 17.916 17.586 1.00 0.00 ATOM 747 CD2 LEU 94 24.159 16.981 18.979 1.00 0.00 ATOM 748 O LEU 94 22.319 16.947 13.910 1.00 0.00 ATOM 749 C LEU 94 21.705 17.220 14.949 1.00 0.00 ATOM 750 N ILE 95 20.503 17.784 14.972 1.00 0.00 ATOM 751 CA ILE 95 19.764 18.137 13.735 1.00 0.00 ATOM 752 CB ILE 95 18.315 17.643 13.782 1.00 0.00 ATOM 753 CG1 ILE 95 18.328 16.128 14.047 1.00 0.00 ATOM 754 CG2 ILE 95 17.588 18.002 12.473 1.00 0.00 ATOM 755 CD1 ILE 95 16.993 15.559 14.460 1.00 0.00 ATOM 756 O ILE 95 19.183 20.392 14.349 1.00 0.00 ATOM 757 C ILE 95 19.803 19.654 13.583 1.00 0.00 ATOM 758 N PHE 96 20.540 20.091 12.568 1.00 0.00 ATOM 759 CA PHE 96 20.713 21.527 12.286 1.00 0.00 ATOM 760 CB PHE 96 22.106 21.797 11.697 1.00 0.00 ATOM 761 CG PHE 96 23.214 21.420 12.673 1.00 0.00 ATOM 762 CD1 PHE 96 23.691 22.352 13.591 1.00 0.00 ATOM 763 CD2 PHE 96 23.758 20.136 12.643 1.00 0.00 ATOM 764 CE1 PHE 96 24.693 22.004 14.485 1.00 0.00 ATOM 765 CE2 PHE 96 24.764 19.799 13.532 1.00 0.00 ATOM 766 CZ PHE 96 25.235 20.725 14.446 1.00 0.00 ATOM 767 O PHE 96 19.358 21.332 10.305 1.00 0.00 ATOM 768 C PHE 96 19.669 22.015 11.286 1.00 0.00 ATOM 769 N TYR 97 19.155 23.213 11.533 1.00 0.00 ATOM 770 CA TYR 97 18.259 23.839 10.559 1.00 0.00 ATOM 771 CB TYR 97 16.787 23.520 10.838 1.00 0.00 ATOM 772 CG TYR 97 16.155 24.350 11.961 1.00 0.00 ATOM 773 CD1 TYR 97 15.449 25.495 11.638 1.00 0.00 ATOM 774 CD2 TYR 97 16.284 23.975 13.282 1.00 0.00 ATOM 775 CE1 TYR 97 14.884 26.243 12.655 1.00 0.00 ATOM 776 CE2 TYR 97 15.682 24.719 14.293 1.00 0.00 ATOM 777 CZ TYR 97 14.951 25.850 13.989 1.00 0.00 ATOM 778 OH TYR 97 14.120 26.366 14.930 1.00 0.00 ATOM 779 O TYR 97 18.917 26.030 11.331 1.00 0.00 ATOM 780 C TYR 97 18.492 25.336 10.403 1.00 0.00 ATOM 781 N CYS 98 18.270 25.778 9.182 1.00 0.00 ATOM 782 CA CYS 98 18.329 27.207 8.846 1.00 0.00 ATOM 783 CB CYS 98 19.556 27.448 7.966 1.00 0.00 ATOM 784 SG CYS 98 19.439 26.589 6.365 1.00 0.00 ATOM 785 O CYS 98 15.953 27.048 8.488 1.00 0.00 ATOM 786 C CYS 98 16.996 27.653 8.230 1.00 0.00 ATOM 787 N ALA 99 17.020 28.651 7.355 1.00 0.00 ATOM 788 CA ALA 99 15.779 29.094 6.671 1.00 0.00 ATOM 789 CB ALA 99 15.960 30.455 6.069 1.00 0.00 ATOM 790 O ALA 99 14.168 28.017 5.312 1.00 0.00 ATOM 791 C ALA 99 15.348 28.295 5.454 1.00 0.00 ATOM 792 N SER 100 16.341 27.835 4.689 1.00 0.00 ATOM 793 CA SER 100 16.109 27.114 3.412 1.00 0.00 ATOM 794 CB SER 100 16.456 28.024 2.255 1.00 0.00 ATOM 795 OG SER 100 17.853 28.346 2.273 1.00 0.00 ATOM 796 O SER 100 16.680 25.126 2.173 1.00 0.00 ATOM 797 C SER 100 16.830 25.770 3.208 1.00 0.00 ATOM 798 N GLY 101 17.763 25.460 4.106 1.00 0.00 ATOM 799 CA GLY 101 18.522 24.209 4.042 1.00 0.00 ATOM 800 O GLY 101 20.567 23.160 3.781 1.00 0.00 ATOM 801 C GLY 101 20.012 24.237 3.626 1.00 0.00 ATOM 802 N LYS 102 20.701 25.392 3.442 1.00 0.00 ATOM 803 CA LYS 102 22.078 25.487 2.873 1.00 0.00 ATOM 804 CB LYS 102 22.180 26.629 1.835 1.00 0.00 ATOM 805 CG LYS 102 23.560 26.792 1.177 1.00 0.00 ATOM 806 CD LYS 102 23.587 27.962 0.186 1.00 0.00 ATOM 807 CE LYS 102 24.978 28.185 -0.398 1.00 0.00 ATOM 808 NZ LYS 102 24.929 29.301 -1.361 1.00 0.00 ATOM 809 O LYS 102 24.133 24.852 3.973 1.00 0.00 ATOM 810 C LYS 102 23.197 25.647 3.913 1.00 0.00 ATOM 811 N ARG 103 23.071 26.704 4.707 1.00 0.00 ATOM 812 CA ARG 103 24.009 26.974 5.821 1.00 0.00 ATOM 813 CB ARG 103 23.538 28.136 6.682 1.00 0.00 ATOM 814 CG ARG 103 23.686 29.474 5.974 1.00 0.00 ATOM 815 CD ARG 103 23.157 30.555 6.877 1.00 0.00 ATOM 816 NE ARG 103 23.212 31.844 6.191 1.00 0.00 ATOM 817 CZ ARG 103 22.606 32.931 6.627 1.00 0.00 ATOM 818 NH1 ARG 103 22.738 34.066 5.969 1.00 0.00 ATOM 819 NH2 ARG 103 21.951 32.918 7.787 1.00 0.00 ATOM 820 O ARG 103 25.215 25.401 7.197 1.00 0.00 ATOM 821 C ARG 103 24.129 25.767 6.758 1.00 0.00 ATOM 822 N GLY 104 22.993 25.099 6.968 1.00 0.00 ATOM 823 CA GLY 104 22.877 23.894 7.807 1.00 0.00 ATOM 824 O GLY 104 24.324 22.007 8.058 1.00 0.00 ATOM 825 C GLY 104 23.710 22.718 7.279 1.00 0.00 ATOM 826 N GLY 105 23.749 22.571 5.952 1.00 0.00 ATOM 827 CA GLY 105 24.616 21.559 5.320 1.00 0.00 ATOM 828 O GLY 105 26.811 20.898 6.056 1.00 0.00 ATOM 829 C GLY 105 26.099 21.802 5.610 1.00 0.00 ATOM 830 N GLU 106 26.482 23.060 5.471 1.00 0.00 ATOM 831 CA GLU 106 27.863 23.478 5.777 1.00 0.00 ATOM 832 CB GLU 106 28.072 24.933 5.403 1.00 0.00 ATOM 833 CG GLU 106 28.122 25.220 3.901 1.00 0.00 ATOM 834 CD GLU 106 28.246 26.732 3.631 1.00 0.00 ATOM 835 OE1 GLU 106 28.236 27.555 4.574 1.00 0.00 ATOM 836 OE2 GLU 106 28.309 27.077 2.434 1.00 0.00 ATOM 837 O GLU 106 29.221 22.754 7.604 1.00 0.00 ATOM 838 C GLU 106 28.178 23.317 7.265 1.00 0.00 ATOM 839 N ALA 107 27.187 23.587 8.110 1.00 0.00 ATOM 840 CA ALA 107 27.314 23.494 9.583 1.00 0.00 ATOM 841 CB ALA 107 26.102 24.081 10.307 1.00 0.00 ATOM 842 O ALA 107 28.376 21.729 10.811 1.00 0.00 ATOM 843 C ALA 107 27.478 22.056 10.027 1.00 0.00 ATOM 844 N GLN 108 26.655 21.203 9.428 1.00 0.00 ATOM 845 CA GLN 108 26.675 19.764 9.705 1.00 0.00 ATOM 846 CB GLN 108 25.541 19.108 8.922 1.00 0.00 ATOM 847 CG GLN 108 25.508 17.611 9.183 1.00 0.00 ATOM 848 CD GLN 108 24.349 16.936 8.465 1.00 0.00 ATOM 849 OE1 GLN 108 23.630 17.479 7.631 1.00 0.00 ATOM 850 NE2 GLN 108 24.174 15.680 8.758 1.00 0.00 ATOM 851 O GLN 108 28.643 18.470 10.125 1.00 0.00 ATOM 852 C GLN 108 28.032 19.163 9.309 1.00 0.00 ATOM 853 N LYS 109 28.532 19.555 8.140 1.00 0.00 ATOM 854 CA LYS 109 29.840 19.098 7.643 1.00 0.00 ATOM 855 CB LYS 109 30.039 19.633 6.216 1.00 0.00 ATOM 856 CG LYS 109 31.267 19.082 5.477 1.00 0.00 ATOM 857 CD LYS 109 31.613 20.086 4.383 1.00 0.00 ATOM 858 CE LYS 109 31.935 19.446 3.023 1.00 0.00 ATOM 859 NZ LYS 109 33.351 19.531 2.684 1.00 0.00 ATOM 860 O LYS 109 31.822 18.784 8.936 1.00 0.00 ATOM 861 C LYS 109 30.972 19.588 8.560 1.00 0.00 ATOM 862 N VAL 110 30.900 20.848 8.991 1.00 0.00 ATOM 863 CA VAL 110 31.903 21.435 9.925 1.00 0.00 ATOM 864 CB VAL 110 31.606 22.907 10.239 1.00 0.00 ATOM 865 CG1 VAL 110 32.517 23.487 11.334 1.00 0.00 ATOM 866 CG2 VAL 110 31.817 23.796 9.009 1.00 0.00 ATOM 867 O VAL 110 33.014 20.171 11.637 1.00 0.00 ATOM 868 C VAL 110 31.945 20.614 11.222 1.00 0.00 ATOM 869 N ALA 111 30.765 20.419 11.794 1.00 0.00 ATOM 870 CA ALA 111 30.593 19.674 13.050 1.00 0.00 ATOM 871 CB ALA 111 29.101 19.557 13.334 1.00 0.00 ATOM 872 O ALA 111 31.905 17.782 13.788 1.00 0.00 ATOM 873 C ALA 111 31.148 18.250 12.937 1.00 0.00 ATOM 874 N SER 112 30.828 17.610 11.816 1.00 0.00 ATOM 875 CA SER 112 31.280 16.236 11.562 1.00 0.00 ATOM 876 CB SER 112 30.605 15.678 10.312 1.00 0.00 ATOM 877 OG SER 112 29.195 15.736 10.489 1.00 0.00 ATOM 878 O SER 112 33.488 15.379 11.970 1.00 0.00 ATOM 879 C SER 112 32.801 16.190 11.370 1.00 0.00 ATOM 880 N SER 113 33.344 17.152 10.647 1.00 0.00 ATOM 881 CA SER 113 34.798 17.267 10.455 1.00 0.00 ATOM 882 CB SER 113 35.126 18.482 9.604 1.00 0.00 ATOM 883 OG SER 113 34.577 18.303 8.301 1.00 0.00 ATOM 884 O SER 113 36.684 16.887 11.882 1.00 0.00 ATOM 885 C SER 113 35.576 17.401 11.767 1.00 0.00 ATOM 886 N HIS 114 34.961 18.074 12.731 1.00 0.00 ATOM 887 CA HIS 114 35.556 18.265 14.069 1.00 0.00 ATOM 888 CB HIS 114 34.827 19.374 14.837 1.00 0.00 ATOM 889 CG HIS 114 34.954 20.788 14.245 1.00 0.00 ATOM 890 CD2 HIS 114 35.834 21.260 13.358 1.00 0.00 ATOM 891 ND1 HIS 114 34.163 21.780 14.617 1.00 0.00 ATOM 892 CE1 HIS 114 34.568 22.886 13.994 1.00 0.00 ATOM 893 NE2 HIS 114 35.579 22.554 13.202 1.00 0.00 ATOM 894 O HIS 114 36.299 16.871 15.878 1.00 0.00 ATOM 895 C HIS 114 35.542 16.983 14.910 1.00 0.00 ATOM 896 N GLY 115 34.616 16.096 14.589 1.00 0.00 ATOM 897 CA GLY 115 34.434 14.830 15.315 1.00 0.00 ATOM 898 O GLY 115 32.787 13.645 16.563 1.00 0.00 ATOM 899 C GLY 115 33.066 14.697 15.979 1.00 0.00 ATOM 900 N TYR 116 32.196 15.701 15.875 1.00 0.00 ATOM 901 CA TYR 116 30.837 15.503 16.396 1.00 0.00 ATOM 902 CB TYR 116 29.974 16.717 16.614 1.00 0.00 ATOM 903 CG TYR 116 30.111 16.955 18.100 1.00 0.00 ATOM 904 CD1 TYR 116 29.568 16.084 19.055 1.00 0.00 ATOM 905 CD2 TYR 116 30.737 18.119 18.472 1.00 0.00 ATOM 906 CE1 TYR 116 29.622 16.450 20.387 1.00 0.00 ATOM 907 CE2 TYR 116 30.790 18.474 19.797 1.00 0.00 ATOM 908 CZ TYR 116 30.214 17.652 20.754 1.00 0.00 ATOM 909 OH TYR 116 30.144 18.045 22.044 1.00 0.00 ATOM 910 O TYR 116 30.039 14.570 14.358 1.00 0.00 ATOM 911 C TYR 116 30.049 14.517 15.578 1.00 0.00 ATOM 912 N SER 117 29.407 13.632 16.323 1.00 0.00 ATOM 913 CA SER 117 28.773 12.531 15.604 1.00 0.00 ATOM 914 CB SER 117 29.656 11.279 15.722 1.00 0.00 ATOM 915 OG SER 117 29.109 10.192 14.971 1.00 0.00 ATOM 916 O SER 117 26.618 13.081 16.542 1.00 0.00 ATOM 917 C SER 117 27.258 12.391 15.756 1.00 0.00 ATOM 918 N ASN 118 26.748 11.750 14.710 1.00 0.00 ATOM 919 CA ASN 118 25.308 11.581 14.424 1.00 0.00 ATOM 920 CB ASN 118 24.651 10.577 15.398 1.00 0.00 ATOM 921 CG ASN 118 25.564 9.409 15.798 1.00 0.00 ATOM 922 ND2 ASN 118 25.513 9.095 17.062 1.00 0.00 ATOM 923 OD1 ASN 118 26.344 8.810 15.056 1.00 0.00 ATOM 924 O ASN 118 24.095 13.569 15.207 1.00 0.00 ATOM 925 C ASN 118 24.581 12.930 14.266 1.00 0.00 ATOM 926 N THR 119 24.753 13.478 13.073 1.00 0.00 ATOM 927 CA THR 119 24.199 14.777 12.663 1.00 0.00 ATOM 928 CB THR 119 25.302 15.787 12.311 1.00 0.00 ATOM 929 CG2 THR 119 26.238 16.041 13.500 1.00 0.00 ATOM 930 OG1 THR 119 26.065 15.354 11.184 1.00 0.00 ATOM 931 O THR 119 23.419 13.678 10.645 1.00 0.00 ATOM 932 C THR 119 23.267 14.605 11.455 1.00 0.00 ATOM 933 N SER 120 22.406 15.592 11.301 1.00 0.00 ATOM 934 CA SER 120 21.484 15.695 10.166 1.00 0.00 ATOM 935 CB SER 120 20.241 14.807 10.372 1.00 0.00 ATOM 936 OG SER 120 19.415 15.359 11.384 1.00 0.00 ATOM 937 O SER 120 21.353 18.021 10.822 1.00 0.00 ATOM 938 C SER 120 21.046 17.155 10.000 1.00 0.00 ATOM 939 N LEU 121 20.449 17.426 8.849 1.00 0.00 ATOM 940 CA LEU 121 19.758 18.702 8.635 1.00 0.00 ATOM 941 CB LEU 121 20.590 19.616 7.724 1.00 0.00 ATOM 942 CG LEU 121 20.806 19.044 6.322 1.00 0.00 ATOM 943 CD1 LEU 121 19.658 19.336 5.358 1.00 0.00 ATOM 944 CD2 LEU 121 22.065 19.637 5.732 1.00 0.00 ATOM 945 O LEU 121 18.068 17.395 7.529 1.00 0.00 ATOM 946 C LEU 121 18.346 18.445 8.114 1.00 0.00 ATOM 947 N TYR 122 17.539 19.494 8.198 1.00 0.00 ATOM 948 CA TYR 122 16.144 19.432 7.743 1.00 0.00 ATOM 949 CB TYR 122 15.294 20.327 8.624 1.00 0.00 ATOM 950 CG TYR 122 13.798 20.124 8.376 1.00 0.00 ATOM 951 CD1 TYR 122 13.138 18.988 8.786 1.00 0.00 ATOM 952 CD2 TYR 122 13.068 21.134 7.772 1.00 0.00 ATOM 953 CE1 TYR 122 11.772 18.858 8.609 1.00 0.00 ATOM 954 CE2 TYR 122 11.700 21.003 7.571 1.00 0.00 ATOM 955 CZ TYR 122 11.048 19.856 7.984 1.00 0.00 ATOM 956 OH TYR 122 9.739 19.661 7.690 1.00 0.00 ATOM 957 O TYR 122 16.278 21.069 5.981 1.00 0.00 ATOM 958 C TYR 122 16.017 19.897 6.287 1.00 0.00 ATOM 959 N PRO 123 15.546 19.007 5.396 1.00 0.00 ATOM 960 CA PRO 123 15.344 19.338 3.974 1.00 0.00 ATOM 961 CB PRO 123 14.722 18.100 3.357 1.00 0.00 ATOM 962 CG PRO 123 15.217 16.984 4.267 1.00 0.00 ATOM 963 CD PRO 123 15.240 17.592 5.670 1.00 0.00 ATOM 964 O PRO 123 13.302 20.508 4.462 1.00 0.00 ATOM 965 C PRO 123 14.351 20.491 3.824 1.00 0.00 ATOM 966 N GLY 124 14.826 21.504 3.112 1.00 0.00 ATOM 967 CA GLY 124 14.071 22.737 2.809 1.00 0.00 ATOM 968 O GLY 124 13.300 24.770 3.875 1.00 0.00 ATOM 969 C GLY 124 13.908 23.699 3.999 1.00 0.00 ATOM 970 N SER 125 14.526 23.337 5.132 1.00 0.00 ATOM 971 CA SER 125 14.574 24.131 6.374 1.00 0.00 ATOM 972 CB SER 125 15.319 25.370 6.040 1.00 0.00 ATOM 973 OG SER 125 16.627 25.390 6.558 1.00 0.00 ATOM 974 O SER 125 12.199 23.979 6.728 1.00 0.00 ATOM 975 C SER 125 13.240 24.576 6.990 1.00 0.00 ATOM 976 N MET 126 13.276 25.684 7.737 1.00 0.00 ATOM 977 CA MET 126 12.106 26.258 8.394 1.00 0.00 ATOM 978 CB MET 126 12.519 27.455 9.246 1.00 0.00 ATOM 979 CG MET 126 11.343 27.944 10.104 1.00 0.00 ATOM 980 SD MET 126 10.659 26.637 11.173 1.00 0.00 ATOM 981 CE MET 126 11.884 26.811 12.434 1.00 0.00 ATOM 982 O MET 126 9.832 26.545 7.692 1.00 0.00 ATOM 983 C MET 126 11.021 26.654 7.390 1.00 0.00 ATOM 984 N ASN 127 11.429 27.088 6.207 1.00 0.00 ATOM 985 CA ASN 127 10.472 27.409 5.139 1.00 0.00 ATOM 986 CB ASN 127 11.262 27.837 3.924 1.00 0.00 ATOM 987 CG ASN 127 11.813 29.256 4.042 1.00 0.00 ATOM 988 ND2 ASN 127 12.692 29.582 3.143 1.00 0.00 ATOM 989 OD1 ASN 127 11.509 30.018 4.931 1.00 0.00 ATOM 990 O ASN 127 8.363 26.346 4.854 1.00 0.00 ATOM 991 C ASN 127 9.575 26.228 4.762 1.00 0.00 ATOM 992 N ASP 128 10.219 25.085 4.562 1.00 0.00 ATOM 993 CA ASP 128 9.463 23.867 4.241 1.00 0.00 ATOM 994 CB ASP 128 10.324 22.893 3.439 1.00 0.00 ATOM 995 CG ASP 128 9.929 22.999 1.955 1.00 0.00 ATOM 996 OD1 ASP 128 9.206 23.937 1.558 1.00 0.00 ATOM 997 OD2 ASP 128 10.351 22.101 1.195 1.00 0.00 ATOM 998 O ASP 128 7.531 22.910 5.309 1.00 0.00 ATOM 999 C ASP 128 8.708 23.263 5.429 1.00 0.00 ATOM 1000 N TRP 129 9.276 23.460 6.618 1.00 0.00 ATOM 1001 CA TRP 129 8.619 23.146 7.907 1.00 0.00 ATOM 1002 CB TRP 129 9.562 23.447 9.077 1.00 0.00 ATOM 1003 CG TRP 129 8.895 23.174 10.432 1.00 0.00 ATOM 1004 CD1 TRP 129 8.413 24.079 11.282 1.00 0.00 ATOM 1005 CD2 TRP 129 8.714 21.940 11.022 1.00 0.00 ATOM 1006 CE2 TRP 129 8.117 22.155 12.250 1.00 0.00 ATOM 1007 CE3 TRP 129 8.961 20.652 10.586 1.00 0.00 ATOM 1008 NE1 TRP 129 7.954 23.458 12.362 1.00 0.00 ATOM 1009 CZ2 TRP 129 7.768 21.087 13.058 1.00 0.00 ATOM 1010 CZ3 TRP 129 8.616 19.579 11.364 1.00 0.00 ATOM 1011 CH2 TRP 129 8.027 19.823 12.574 1.00 0.00 ATOM 1012 O TRP 129 6.230 23.366 8.281 1.00 0.00 ATOM 1013 C TRP 129 7.304 23.934 8.066 1.00 0.00 ATOM 1014 N VAL 130 7.369 25.243 7.843 1.00 0.00 ATOM 1015 CA VAL 130 6.193 26.136 7.885 1.00 0.00 ATOM 1016 CB VAL 130 6.594 27.615 7.683 1.00 0.00 ATOM 1017 CG1 VAL 130 5.401 28.554 7.529 1.00 0.00 ATOM 1018 CG2 VAL 130 7.426 28.113 8.874 1.00 0.00 ATOM 1019 O VAL 130 3.956 25.712 7.126 1.00 0.00 ATOM 1020 C VAL 130 5.156 25.729 6.834 1.00 0.00 ATOM 1021 N SER 131 5.627 25.490 5.615 1.00 0.00 ATOM 1022 CA SER 131 4.763 25.106 4.483 1.00 0.00 ATOM 1023 CB SER 131 5.563 24.883 3.208 1.00 0.00 ATOM 1024 OG SER 131 6.181 26.114 2.821 1.00 0.00 ATOM 1025 O SER 131 2.844 23.700 4.381 1.00 0.00 ATOM 1026 C SER 131 4.001 23.817 4.762 1.00 0.00 ATOM 1027 N HIS 132 4.630 22.891 5.480 1.00 0.00 ATOM 1028 CA HIS 132 3.973 21.620 5.811 1.00 0.00 ATOM 1029 CB HIS 132 4.999 20.489 5.640 1.00 0.00 ATOM 1030 CG HIS 132 5.071 20.041 4.166 1.00 0.00 ATOM 1031 CD2 HIS 132 6.138 19.993 3.357 1.00 0.00 ATOM 1032 ND1 HIS 132 4.033 19.623 3.474 1.00 0.00 ATOM 1033 CE1 HIS 132 4.409 19.321 2.244 1.00 0.00 ATOM 1034 NE2 HIS 132 5.710 19.556 2.175 1.00 0.00 ATOM 1035 O HIS 132 2.554 20.718 7.544 1.00 0.00 ATOM 1036 C HIS 132 3.173 21.687 7.128 1.00 0.00 ATOM 1037 N GLY 133 3.066 22.905 7.697 1.00 0.00 ATOM 1038 CA GLY 133 2.293 23.205 8.908 1.00 0.00 ATOM 1039 O GLY 133 2.062 22.239 11.114 1.00 0.00 ATOM 1040 C GLY 133 2.823 22.588 10.206 1.00 0.00 ATOM 1041 N GLY 134 4.147 22.578 10.285 1.00 0.00 ATOM 1042 CA GLY 134 4.865 22.053 11.448 1.00 0.00 ATOM 1043 O GLY 134 4.288 24.107 12.525 1.00 0.00 ATOM 1044 C GLY 134 4.662 22.941 12.658 1.00 0.00 ATOM 1045 N ASP 135 4.956 22.360 13.820 1.00 0.00 ATOM 1046 CA ASP 135 4.890 23.107 15.090 1.00 0.00 ATOM 1047 CB ASP 135 5.322 22.239 16.264 1.00 0.00 ATOM 1048 CG ASP 135 4.308 21.134 16.620 1.00 0.00 ATOM 1049 OD1 ASP 135 3.169 21.138 16.096 1.00 0.00 ATOM 1050 OD2 ASP 135 4.702 20.248 17.387 1.00 0.00 ATOM 1051 O ASP 135 6.900 24.338 14.605 1.00 0.00 ATOM 1052 C ASP 135 5.759 24.359 15.045 1.00 0.00 ATOM 1053 N LYS 136 5.147 25.491 15.364 1.00 0.00 ATOM 1054 CA LYS 136 5.851 26.779 15.352 1.00 0.00 ATOM 1055 CB LYS 136 5.185 27.707 14.351 1.00 0.00 ATOM 1056 CG LYS 136 5.521 27.316 12.911 1.00 0.00 ATOM 1057 CD LYS 136 5.081 28.455 11.993 1.00 0.00 ATOM 1058 CE LYS 136 4.272 27.960 10.812 1.00 0.00 ATOM 1059 NZ LYS 136 3.350 29.010 10.359 1.00 0.00 ATOM 1060 O LYS 136 4.746 27.238 17.371 1.00 0.00 ATOM 1061 C LYS 136 5.741 27.441 16.709 1.00 0.00 ATOM 1062 N LEU 137 6.735 28.221 17.078 1.00 0.00 ATOM 1063 CA LEU 137 6.639 29.016 18.314 1.00 0.00 ATOM 1064 CB LEU 137 7.802 28.761 19.262 1.00 0.00 ATOM 1065 CG LEU 137 7.799 27.372 19.883 1.00 0.00 ATOM 1066 CD1 LEU 137 8.998 27.312 20.820 1.00 0.00 ATOM 1067 CD2 LEU 137 6.542 27.063 20.711 1.00 0.00 ATOM 1068 O LEU 137 7.345 30.880 17.039 1.00 0.00 ATOM 1069 C LEU 137 6.624 30.501 17.956 1.00 0.00 ATOM 1070 N ASP 138 6.025 31.238 18.875 1.00 0.00 ATOM 1071 CA ASP 138 5.874 32.694 18.758 1.00 0.00 ATOM 1072 CB ASP 138 4.879 33.235 19.785 1.00 0.00 ATOM 1073 CG ASP 138 3.460 32.687 19.583 1.00 0.00 ATOM 1074 OD1 ASP 138 3.026 32.499 18.434 1.00 0.00 ATOM 1075 OD2 ASP 138 2.772 32.470 20.602 1.00 0.00 ATOM 1076 O ASP 138 7.285 34.577 18.318 1.00 0.00 ATOM 1077 C ASP 138 7.200 33.456 18.805 1.00 0.00 ATOM 1078 N LEU 139 8.199 32.830 19.416 1.00 0.00 ATOM 1079 CA LEU 139 9.546 33.432 19.498 1.00 0.00 ATOM 1080 CB LEU 139 10.482 32.606 20.391 1.00 0.00 ATOM 1081 CG LEU 139 10.314 32.574 21.905 1.00 0.00 ATOM 1082 CD1 LEU 139 8.875 32.814 22.381 1.00 0.00 ATOM 1083 CD2 LEU 139 10.767 31.209 22.424 1.00 0.00 ATOM 1084 O LEU 139 9.572 33.172 17.122 1.00 0.00 ATOM 1085 C LEU 139 10.191 33.603 18.116 1.00 0.00 TER END