PFRMAT TS TARGET T0460 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. 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 PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD 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 METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. 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 settings on the SAM alignment software. 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. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. 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 We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD This Pyrococcus protein is an ORFan, with no homology found outside of METHOD Pyrococcus. The lack of homologs gives us little information for METHOD local structure prediction, for contact prediction, or for finding METHOD structurally similar proteins. METHOD METHOD The model quality assessments we did suggested that none of the METHOD servers got up to 30% GDT, and I tend to agree. I'm submitting 5 METHOD quite different and quite junky models---I have no real expectation METHOD that any of them are anything like the real protein. METHOD METHOD Model METHOD 1 T0460.MQAX7-opt3.gromacs0.repack-nonPC.pdb # < BAKER-ROBETTA_TS4 METHOD #best rosetta energy METHOD METHOD 2 T0460.MQAX2-opt3.pdb # < BAKER-ROBETTA_TS5 METHOD METHOD 3 T0460.try3-opt3.pdb # < MQAC1-opt3 < SAM-T08-server_TS1 METHOD METHOD 4 T0460.try5-opt3.pdb # < try4-opt3 < align(2j1dG) METHOD METHOD 5 T0460.try2-opt3.pdb # < align(2j1dG) METHOD REMARK 6 REMARK 6 T0460 model 5 Wed Jul 16 17:44:58 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 19.009 20.192 17.382 1.00 0.00 ATOM 2 CA MET 1 19.253 21.641 17.117 1.00 0.00 ATOM 3 CB MET 1 18.854 22.482 18.331 1.00 0.00 ATOM 4 CG MET 1 17.361 22.487 18.619 1.00 0.00 ATOM 5 SD MET 1 16.393 23.183 17.266 1.00 0.00 ATOM 6 CE MET 1 16.759 24.928 17.451 1.00 0.00 ATOM 7 O MET 1 21.607 21.456 17.543 1.00 0.00 ATOM 8 C MET 1 20.722 21.923 16.824 1.00 0.00 ATOM 9 N ASN 2 20.981 22.687 15.767 1.00 0.00 ATOM 10 CA ASN 2 22.353 23.025 15.393 1.00 0.00 ATOM 11 CB ASN 2 22.468 22.996 13.867 1.00 0.00 ATOM 12 CG ASN 2 22.344 21.596 13.300 1.00 0.00 ATOM 13 ND2 ASN 2 21.853 21.499 12.070 1.00 0.00 ATOM 14 OD1 ASN 2 22.690 20.615 13.959 1.00 0.00 ATOM 15 O ASN 2 21.943 25.359 15.732 1.00 0.00 ATOM 16 C ASN 2 22.714 24.412 15.894 1.00 0.00 ATOM 17 N SER 3 23.887 24.536 16.505 1.00 0.00 ATOM 18 CA SER 3 24.337 25.822 17.024 1.00 0.00 ATOM 19 CB SER 3 25.691 25.644 17.716 1.00 0.00 ATOM 20 OG SER 3 26.693 25.269 16.788 1.00 0.00 ATOM 21 O SER 3 24.075 28.017 16.089 1.00 0.00 ATOM 22 C SER 3 24.460 26.861 15.912 1.00 0.00 ATOM 23 N GLU 4 24.995 26.447 14.769 1.00 0.00 ATOM 24 CA GLU 4 25.158 27.353 13.638 1.00 0.00 ATOM 25 CB GLU 4 25.925 26.678 12.500 1.00 0.00 ATOM 26 CG GLU 4 26.198 27.586 11.311 1.00 0.00 ATOM 27 CD GLU 4 26.988 26.892 10.219 1.00 0.00 ATOM 28 OE1 GLU 4 27.333 25.705 10.397 1.00 0.00 ATOM 29 OE2 GLU 4 27.262 27.536 9.184 1.00 0.00 ATOM 30 O GLU 4 23.654 29.010 12.823 1.00 0.00 ATOM 31 C GLU 4 23.853 27.819 13.058 1.00 0.00 ATOM 32 N VAL 5 22.949 26.875 12.819 1.00 0.00 ATOM 33 CA VAL 5 21.644 27.204 12.255 1.00 0.00 ATOM 34 CB VAL 5 20.834 25.916 12.017 1.00 0.00 ATOM 35 CG1 VAL 5 19.398 26.252 11.649 1.00 0.00 ATOM 36 CG2 VAL 5 21.444 25.105 10.884 1.00 0.00 ATOM 37 O VAL 5 20.103 28.964 12.742 1.00 0.00 ATOM 38 C VAL 5 20.831 28.077 13.196 1.00 0.00 ATOM 39 N ILE 6 20.938 27.780 14.456 1.00 0.00 ATOM 40 CA ILE 6 20.235 28.585 15.440 1.00 0.00 ATOM 41 CB ILE 6 20.227 27.977 16.865 1.00 0.00 ATOM 42 CG1 ILE 6 19.574 26.589 16.849 1.00 0.00 ATOM 43 CG2 ILE 6 19.508 28.930 17.811 1.00 0.00 ATOM 44 CD1 ILE 6 19.632 25.862 18.207 1.00 0.00 ATOM 45 O ILE 6 19.988 30.971 15.469 1.00 0.00 ATOM 46 C ILE 6 20.764 30.015 15.420 1.00 0.00 ATOM 47 N LYS 7 22.083 30.160 15.349 1.00 0.00 ATOM 48 CA LYS 7 22.699 31.484 15.322 1.00 0.00 ATOM 49 CB LYS 7 24.219 31.351 15.215 1.00 0.00 ATOM 50 CG LYS 7 24.959 32.680 15.219 1.00 0.00 ATOM 51 CD LYS 7 26.466 32.472 15.182 1.00 0.00 ATOM 52 CE LYS 7 27.205 33.799 15.136 1.00 0.00 ATOM 53 NZ LYS 7 28.680 33.612 15.077 1.00 0.00 ATOM 54 O LYS 7 21.890 33.425 14.169 1.00 0.00 ATOM 55 C LYS 7 22.240 32.244 14.084 1.00 0.00 ATOM 56 N GLU 8 22.202 31.565 12.947 1.00 0.00 ATOM 57 CA GLU 8 21.728 32.200 11.724 1.00 0.00 ATOM 58 CB GLU 8 21.991 31.322 10.497 1.00 0.00 ATOM 59 CG GLU 8 23.461 31.187 10.136 1.00 0.00 ATOM 60 CD GLU 8 23.691 30.240 8.974 1.00 0.00 ATOM 61 OE1 GLU 8 22.706 29.641 8.493 1.00 0.00 ATOM 62 OE2 GLU 8 24.856 30.097 8.546 1.00 0.00 ATOM 63 O GLU 8 19.854 33.656 11.372 1.00 0.00 ATOM 64 C GLU 8 20.253 32.577 11.811 1.00 0.00 ATOM 65 N PHE 9 19.445 31.686 12.378 1.00 0.00 ATOM 66 CA PHE 9 18.039 31.944 12.513 1.00 0.00 ATOM 67 CB PHE 9 17.371 30.704 13.111 1.00 0.00 ATOM 68 CG PHE 9 15.887 30.847 13.300 1.00 0.00 ATOM 69 CD1 PHE 9 15.021 30.715 12.229 1.00 0.00 ATOM 70 CD2 PHE 9 15.358 31.112 14.552 1.00 0.00 ATOM 71 CE1 PHE 9 13.657 30.847 12.404 1.00 0.00 ATOM 72 CE2 PHE 9 13.993 31.245 14.726 1.00 0.00 ATOM 73 CZ PHE 9 13.144 31.112 13.659 1.00 0.00 ATOM 74 O PHE 9 16.931 33.977 13.170 1.00 0.00 ATOM 75 C PHE 9 17.795 33.142 13.442 1.00 0.00 ATOM 76 N LEU 10 18.553 33.218 14.530 1.00 0.00 ATOM 77 CA LEU 10 18.406 34.316 15.480 1.00 0.00 ATOM 78 CB LEU 10 19.450 34.318 16.561 1.00 0.00 ATOM 79 CG LEU 10 19.386 35.486 17.555 1.00 0.00 ATOM 80 CD1 LEU 10 18.030 35.502 18.262 1.00 0.00 ATOM 81 CD2 LEU 10 20.515 35.345 18.573 1.00 0.00 ATOM 82 O LEU 10 17.896 36.577 14.827 1.00 0.00 ATOM 83 C LEU 10 18.697 35.643 14.760 1.00 0.00 ATOM 84 N GLU 11 19.860 35.744 14.101 1.00 0.00 ATOM 85 CA GLU 11 20.234 36.973 13.410 1.00 0.00 ATOM 86 CB GLU 11 21.588 36.807 12.714 1.00 0.00 ATOM 87 CG GLU 11 22.769 36.730 13.667 1.00 0.00 ATOM 88 CD GLU 11 24.076 36.442 12.952 1.00 0.00 ATOM 89 OE1 GLU 11 24.045 36.229 11.721 1.00 0.00 ATOM 90 OE2 GLU 11 25.129 36.429 13.621 1.00 0.00 ATOM 91 O GLU 11 18.906 38.562 12.198 1.00 0.00 ATOM 92 C GLU 11 19.234 37.383 12.334 1.00 0.00 ATOM 93 N ASP 12 18.750 36.407 11.572 1.00 0.00 ATOM 94 CA ASP 12 17.790 36.684 10.521 1.00 0.00 ATOM 95 CB ASP 12 17.580 35.459 9.630 1.00 0.00 ATOM 96 CG ASP 12 18.768 35.181 8.731 1.00 0.00 ATOM 97 OD1 ASP 12 19.644 36.064 8.615 1.00 0.00 ATOM 98 OD2 ASP 12 18.824 34.081 8.142 1.00 0.00 ATOM 99 O ASP 12 15.811 38.037 10.615 1.00 0.00 ATOM 100 C ASP 12 16.436 37.090 11.094 1.00 0.00 ATOM 101 N ILE 13 15.986 36.374 12.119 1.00 0.00 ATOM 102 CA ILE 13 14.716 36.675 12.739 1.00 0.00 ATOM 103 CB ILE 13 14.340 35.613 13.788 1.00 0.00 ATOM 104 CG1 ILE 13 12.849 35.695 14.120 1.00 0.00 ATOM 105 CG2 ILE 13 15.131 35.827 15.069 1.00 0.00 ATOM 106 CD1 ILE 13 12.335 34.519 14.922 1.00 0.00 ATOM 107 O ILE 13 13.671 38.742 13.345 1.00 0.00 ATOM 108 C ILE 13 14.694 38.057 13.368 1.00 0.00 ATOM 109 N GLY 14 15.825 38.469 13.931 1.00 0.00 ATOM 110 CA GLY 14 15.921 39.780 14.563 1.00 0.00 ATOM 111 O GLY 14 14.282 40.792 15.993 1.00 0.00 ATOM 112 C GLY 14 15.032 39.833 15.801 1.00 0.00 ATOM 113 N GLU 15 15.082 38.784 16.614 1.00 0.00 ATOM 114 CA GLU 15 14.281 38.732 17.814 1.00 0.00 ATOM 115 CB GLU 15 13.271 37.620 17.748 1.00 0.00 ATOM 116 CG GLU 15 12.234 37.820 16.639 1.00 0.00 ATOM 117 CD GLU 15 11.428 39.115 16.757 1.00 0.00 ATOM 118 OE1 GLU 15 11.298 39.664 17.878 1.00 0.00 ATOM 119 OE2 GLU 15 10.907 39.578 15.715 1.00 0.00 ATOM 120 O GLU 15 16.221 37.695 18.717 1.00 0.00 ATOM 121 C GLU 15 15.162 38.285 18.936 1.00 0.00 ATOM 122 N ASP 16 14.732 38.561 20.164 1.00 0.00 ATOM 123 CA ASP 16 15.502 38.173 21.340 1.00 0.00 ATOM 124 CB ASP 16 15.061 38.950 22.599 1.00 0.00 ATOM 125 CG ASP 16 15.342 40.437 22.496 1.00 0.00 ATOM 126 OD1 ASP 16 16.048 40.835 21.550 1.00 0.00 ATOM 127 OD2 ASP 16 14.828 41.183 23.372 1.00 0.00 ATOM 128 O ASP 16 14.440 36.036 21.090 1.00 0.00 ATOM 129 C ASP 16 15.209 36.735 21.753 1.00 0.00 ATOM 130 N TYR 17 15.821 36.294 22.847 1.00 0.00 ATOM 131 CA TYR 17 15.612 34.925 23.342 1.00 0.00 ATOM 132 CB TYR 17 16.544 34.619 24.517 1.00 0.00 ATOM 133 CG TYR 17 18.007 34.559 24.140 1.00 0.00 ATOM 134 CD1 TYR 17 18.394 34.445 22.811 1.00 0.00 ATOM 135 CD2 TYR 17 18.995 34.618 25.115 1.00 0.00 ATOM 136 CE1 TYR 17 19.729 34.390 22.458 1.00 0.00 ATOM 137 CE2 TYR 17 20.335 34.565 24.779 1.00 0.00 ATOM 138 CZ TYR 17 20.696 34.450 23.437 1.00 0.00 ATOM 139 OH TYR 17 22.025 34.396 23.087 1.00 0.00 ATOM 140 O TYR 17 13.590 33.659 23.589 1.00 0.00 ATOM 141 C TYR 17 14.173 34.724 23.800 1.00 0.00 ATOM 142 N ILE 18 13.599 35.747 24.426 1.00 0.00 ATOM 143 CA ILE 18 12.196 35.672 24.917 1.00 0.00 ATOM 144 CB ILE 18 11.778 36.945 25.675 1.00 0.00 ATOM 145 CG1 ILE 18 12.547 37.059 26.993 1.00 0.00 ATOM 146 CG2 ILE 18 10.289 36.915 25.986 1.00 0.00 ATOM 147 CD1 ILE 18 12.397 38.402 27.673 1.00 0.00 ATOM 148 O ILE 18 10.356 34.627 23.772 1.00 0.00 ATOM 149 C ILE 18 11.257 35.464 23.721 1.00 0.00 ATOM 150 N GLU 19 11.474 36.226 22.653 1.00 0.00 ATOM 151 CA GLU 19 10.644 36.109 21.460 1.00 0.00 ATOM 152 CB GLU 19 11.017 37.074 20.398 1.00 0.00 ATOM 153 CG GLU 19 10.594 38.467 20.849 1.00 0.00 ATOM 154 CD GLU 19 9.091 38.653 20.976 1.00 0.00 ATOM 155 OE1 GLU 19 8.355 38.106 20.159 1.00 0.00 ATOM 156 OE2 GLU 19 8.676 39.356 21.949 1.00 0.00 ATOM 157 O GLU 19 9.701 34.126 20.493 1.00 0.00 ATOM 158 C GLU 19 10.723 34.712 20.854 1.00 0.00 ATOM 159 N LEU 20 11.932 34.164 20.781 1.00 0.00 ATOM 160 CA LEU 20 12.120 32.844 20.224 1.00 0.00 ATOM 161 CB LEU 20 13.610 32.519 20.107 1.00 0.00 ATOM 162 CG LEU 20 14.398 33.319 19.067 1.00 0.00 ATOM 163 CD1 LEU 20 15.887 33.027 19.178 1.00 0.00 ATOM 164 CD2 LEU 20 13.948 32.961 17.658 1.00 0.00 ATOM 165 O LEU 20 10.855 30.812 20.526 1.00 0.00 ATOM 166 C LEU 20 11.463 31.734 21.071 1.00 0.00 ATOM 167 N GLU 21 11.594 31.832 22.390 1.00 0.00 ATOM 168 CA GLU 21 11.012 30.836 23.283 1.00 0.00 ATOM 169 CB GLU 21 11.160 31.587 24.793 1.00 0.00 ATOM 170 CG GLU 21 9.897 32.380 24.974 1.00 0.00 ATOM 171 CD GLU 21 9.994 33.335 26.175 1.00 0.00 ATOM 172 OE1 GLU 21 9.010 33.419 26.921 1.00 0.00 ATOM 173 OE2 GLU 21 11.052 33.965 26.383 1.00 0.00 ATOM 174 O GLU 21 8.863 29.805 23.181 1.00 0.00 ATOM 175 C GLU 21 9.514 30.848 23.127 1.00 0.00 ATOM 176 N ASN 22 8.954 32.038 22.931 1.00 0.00 ATOM 177 CA ASN 22 7.511 32.175 22.765 1.00 0.00 ATOM 178 CB ASN 22 7.117 33.646 22.612 1.00 0.00 ATOM 179 CG ASN 22 7.212 34.412 23.917 1.00 0.00 ATOM 180 ND2 ASN 22 7.291 35.734 23.821 1.00 0.00 ATOM 181 OD1 ASN 22 7.212 33.822 24.997 1.00 0.00 ATOM 182 O ASN 22 6.077 30.623 21.629 1.00 0.00 ATOM 183 C ASN 22 7.058 31.366 21.555 1.00 0.00 ATOM 184 N GLU 23 7.772 31.507 20.443 1.00 0.00 ATOM 185 CA GLU 23 7.431 30.774 19.217 1.00 0.00 ATOM 186 CB GLU 23 8.362 31.163 18.067 1.00 0.00 ATOM 187 CG GLU 23 8.170 32.584 17.565 1.00 0.00 ATOM 188 CD GLU 23 9.191 32.975 16.514 1.00 0.00 ATOM 189 OE1 GLU 23 10.093 32.159 16.231 1.00 0.00 ATOM 190 OE2 GLU 23 9.087 34.096 15.973 1.00 0.00 ATOM 191 O GLU 23 6.730 28.517 18.902 1.00 0.00 ATOM 192 C GLU 23 7.568 29.285 19.378 1.00 0.00 ATOM 193 N ILE 24 8.630 28.862 20.055 1.00 0.00 ATOM 194 CA ILE 24 8.867 27.440 20.279 1.00 0.00 ATOM 195 CB ILE 24 10.304 27.106 20.718 1.00 0.00 ATOM 196 CG1 ILE 24 10.585 27.679 22.109 1.00 0.00 ATOM 197 CG2 ILE 24 11.311 27.695 19.741 1.00 0.00 ATOM 198 CD1 ILE 24 11.887 27.205 22.713 1.00 0.00 ATOM 199 O ILE 24 7.832 25.581 21.404 1.00 0.00 ATOM 200 C ILE 24 8.003 26.801 21.376 1.00 0.00 ATOM 201 N HIS 25 7.464 27.625 22.269 1.00 0.00 ATOM 202 CA HIS 25 6.626 27.122 23.352 1.00 0.00 ATOM 203 CB HIS 25 5.618 26.092 22.840 1.00 0.00 ATOM 204 CG HIS 25 4.680 26.627 21.803 1.00 0.00 ATOM 205 CD2 HIS 25 4.560 26.517 20.356 1.00 0.00 ATOM 206 ND1 HIS 25 3.612 27.439 22.114 1.00 0.00 ATOM 207 CE1 HIS 25 2.959 27.756 20.981 1.00 0.00 ATOM 208 NE2 HIS 25 3.523 27.206 19.923 1.00 0.00 ATOM 209 O HIS 25 6.995 25.491 25.130 1.00 0.00 ATOM 210 C HIS 25 7.448 26.470 24.452 1.00 0.00 ATOM 211 N LEU 26 8.565 27.069 24.756 1.00 0.00 ATOM 212 CA LEU 26 9.486 26.644 25.812 1.00 0.00 ATOM 213 CB LEU 26 10.747 25.917 25.342 1.00 0.00 ATOM 214 CG LEU 26 10.536 24.552 24.687 1.00 0.00 ATOM 215 CD1 LEU 26 10.168 24.710 23.219 1.00 0.00 ATOM 216 CD2 LEU 26 11.803 23.714 24.770 1.00 0.00 ATOM 217 O LEU 26 9.584 29.020 26.133 1.00 0.00 ATOM 218 C LEU 26 9.848 27.907 26.587 1.00 0.00 ATOM 219 N LYS 27 10.453 27.732 27.758 1.00 0.00 ATOM 220 CA LYS 27 10.840 28.855 28.567 1.00 0.00 ATOM 221 CB LYS 27 11.356 28.427 29.916 1.00 0.00 ATOM 222 CG LYS 27 11.790 29.567 30.810 1.00 0.00 ATOM 223 CD LYS 27 11.472 29.371 32.266 1.00 0.00 ATOM 224 CE LYS 27 12.186 30.427 33.111 1.00 0.00 ATOM 225 NZ LYS 27 11.551 31.788 33.158 1.00 0.00 ATOM 226 O LYS 27 12.908 29.026 27.305 1.00 0.00 ATOM 227 C LYS 27 12.046 29.595 28.004 1.00 0.00 ATOM 228 N PRO 28 12.184 30.848 28.428 1.00 0.00 ATOM 229 CA PRO 28 13.337 31.664 28.071 1.00 0.00 ATOM 230 CB PRO 28 13.106 32.991 28.724 1.00 0.00 ATOM 231 CG PRO 28 11.626 33.084 28.790 1.00 0.00 ATOM 232 CD PRO 28 11.118 31.717 29.057 1.00 0.00 ATOM 233 O PRO 28 15.667 31.064 28.001 1.00 0.00 ATOM 234 C PRO 28 14.614 31.039 28.635 1.00 0.00 ATOM 235 N GLU 29 14.505 30.485 29.829 1.00 0.00 ATOM 236 CA GLU 29 15.657 29.861 30.466 1.00 0.00 ATOM 237 CB GLU 29 15.280 29.300 31.831 1.00 0.00 ATOM 238 CG GLU 29 16.493 28.749 32.594 1.00 0.00 ATOM 239 CD GLU 29 16.136 28.174 33.956 1.00 0.00 ATOM 240 OE1 GLU 29 15.548 28.905 34.782 1.00 0.00 ATOM 241 OE2 GLU 29 16.454 26.989 34.201 1.00 0.00 ATOM 242 O GLU 29 17.347 28.536 29.405 1.00 0.00 ATOM 243 C GLU 29 16.159 28.699 29.630 1.00 0.00 ATOM 244 N VAL 30 15.208 27.921 29.112 1.00 0.00 ATOM 245 CA VAL 30 15.554 26.719 28.361 1.00 0.00 ATOM 246 CB VAL 30 14.362 25.991 27.799 1.00 0.00 ATOM 247 CG1 VAL 30 14.823 24.840 26.915 1.00 0.00 ATOM 248 CG2 VAL 30 13.514 25.468 28.946 1.00 0.00 ATOM 249 O VAL 30 17.426 26.615 26.871 1.00 0.00 ATOM 250 C VAL 30 16.305 27.085 27.083 1.00 0.00 ATOM 251 N PHE 31 15.742 27.886 26.275 1.00 0.00 ATOM 252 CA PHE 31 16.437 28.232 25.014 1.00 0.00 ATOM 253 CB PHE 31 15.610 29.109 24.122 1.00 0.00 ATOM 254 CG PHE 31 16.278 29.402 22.806 1.00 0.00 ATOM 255 CD1 PHE 31 16.408 28.410 21.850 1.00 0.00 ATOM 256 CD2 PHE 31 16.810 30.641 22.540 1.00 0.00 ATOM 257 CE1 PHE 31 17.057 28.662 20.643 1.00 0.00 ATOM 258 CE2 PHE 31 17.463 30.900 21.342 1.00 0.00 ATOM 259 CZ PHE 31 17.573 29.896 20.392 1.00 0.00 ATOM 260 O PHE 31 18.751 28.760 24.661 1.00 0.00 ATOM 261 C PHE 31 17.736 28.965 25.331 1.00 0.00 ATOM 262 N TYR 32 17.644 29.845 26.316 1.00 0.00 ATOM 263 CA TYR 32 18.839 30.588 26.706 1.00 0.00 ATOM 264 CB TYR 32 18.668 31.141 28.196 1.00 0.00 ATOM 265 CG TYR 32 19.241 32.483 28.639 1.00 0.00 ATOM 266 CD1 TYR 32 18.408 33.607 28.762 1.00 0.00 ATOM 267 CD2 TYR 32 20.544 32.598 29.015 1.00 0.00 ATOM 268 CE1 TYR 32 18.930 34.807 29.192 1.00 0.00 ATOM 269 CE2 TYR 32 21.064 33.782 29.426 1.00 0.00 ATOM 270 CZ TYR 32 20.259 34.881 29.545 1.00 0.00 ATOM 271 OH TYR 32 20.790 36.066 30.016 1.00 0.00 ATOM 272 O TYR 32 21.118 29.876 26.953 1.00 0.00 ATOM 273 C TYR 32 19.931 29.637 27.185 1.00 0.00 ATOM 274 N GLU 33 19.530 28.559 27.851 1.00 0.00 ATOM 275 CA GLU 33 20.500 27.560 28.365 1.00 0.00 ATOM 276 CB GLU 33 19.804 26.532 29.259 1.00 0.00 ATOM 277 CG GLU 33 19.345 27.083 30.598 1.00 0.00 ATOM 278 CD GLU 33 18.554 26.073 31.405 1.00 0.00 ATOM 279 OE1 GLU 33 18.301 24.966 30.886 1.00 0.00 ATOM 280 OE2 GLU 33 18.185 26.390 32.555 1.00 0.00 ATOM 281 O GLU 33 22.400 26.571 27.234 1.00 0.00 ATOM 282 C GLU 33 21.200 26.853 27.197 1.00 0.00 ATOM 283 N VAL 34 20.400 26.556 26.154 1.00 0.00 ATOM 284 CA VAL 34 20.917 25.895 24.963 1.00 0.00 ATOM 285 CB VAL 34 19.817 25.536 23.948 1.00 0.00 ATOM 286 CG1 VAL 34 20.433 25.028 22.653 1.00 0.00 ATOM 287 CG2 VAL 34 18.910 24.450 24.507 1.00 0.00 ATOM 288 O VAL 34 22.988 26.430 23.877 1.00 0.00 ATOM 289 C VAL 34 21.900 26.840 24.279 1.00 0.00 ATOM 290 N TRP 35 21.514 28.106 24.150 1.00 0.00 ATOM 291 CA TRP 35 22.373 29.094 23.516 1.00 0.00 ATOM 292 CB TRP 35 22.000 29.258 22.042 1.00 0.00 ATOM 293 CG TRP 35 22.824 30.285 21.326 1.00 0.00 ATOM 294 CD1 TRP 35 24.103 30.660 21.619 1.00 0.00 ATOM 295 CD2 TRP 35 22.424 31.070 20.196 1.00 0.00 ATOM 296 CE2 TRP 35 23.513 31.899 19.859 1.00 0.00 ATOM 297 CE3 TRP 35 21.254 31.154 19.436 1.00 0.00 ATOM 298 NE1 TRP 35 24.526 31.630 20.743 1.00 0.00 ATOM 299 CZ2 TRP 35 23.465 32.800 18.795 1.00 0.00 ATOM 300 CZ3 TRP 35 21.210 32.048 18.382 1.00 0.00 ATOM 301 CH2 TRP 35 22.307 32.859 18.070 1.00 0.00 ATOM 302 O TRP 35 21.141 30.981 24.281 1.00 0.00 ATOM 303 C TRP 35 22.244 30.454 24.133 1.00 0.00 ATOM 304 N LYS 36 23.379 31.040 24.501 1.00 0.00 ATOM 305 CA LYS 36 23.383 32.365 25.110 1.00 0.00 ATOM 306 CB LYS 36 23.008 32.181 26.581 1.00 0.00 ATOM 307 CG LYS 36 23.996 31.343 27.374 1.00 0.00 ATOM 308 CD LYS 36 23.542 31.169 28.814 1.00 0.00 ATOM 309 CE LYS 36 24.528 30.323 29.606 1.00 0.00 ATOM 310 NZ LYS 36 24.103 30.156 31.023 1.00 0.00 ATOM 311 O LYS 36 25.657 32.680 24.429 1.00 0.00 ATOM 312 C LYS 36 24.710 33.106 25.090 1.00 0.00 ATOM 313 N TYR 37 24.780 34.218 25.816 1.00 0.00 ATOM 314 CA TYR 37 26.003 35.010 25.870 1.00 0.00 ATOM 315 CB TYR 37 25.837 36.301 25.067 1.00 0.00 ATOM 316 CG TYR 37 24.819 37.257 25.648 1.00 0.00 ATOM 317 CD1 TYR 37 25.207 38.261 26.526 1.00 0.00 ATOM 318 CD2 TYR 37 23.475 37.152 25.317 1.00 0.00 ATOM 319 CE1 TYR 37 24.285 39.139 27.062 1.00 0.00 ATOM 320 CE2 TYR 37 22.538 38.020 25.843 1.00 0.00 ATOM 321 CZ TYR 37 22.954 39.021 26.722 1.00 0.00 ATOM 322 OH TYR 37 22.033 39.893 27.253 1.00 0.00 ATOM 323 O TYR 37 25.503 35.548 28.189 1.00 0.00 ATOM 324 C TYR 37 26.366 35.375 27.311 1.00 0.00 ATOM 325 N VAL 38 27.680 35.621 27.462 1.00 0.00 ATOM 326 CA VAL 38 28.119 36.373 28.653 1.00 0.00 ATOM 327 CB VAL 38 29.104 35.581 29.514 1.00 0.00 ATOM 328 CG1 VAL 38 29.561 36.401 30.732 1.00 0.00 ATOM 329 CG2 VAL 38 30.272 35.030 28.713 1.00 0.00 ATOM 330 O VAL 38 29.737 37.505 27.256 1.00 0.00 ATOM 331 C VAL 38 29.013 37.557 28.261 1.00 0.00 ATOM 332 N GLY 39 28.993 38.644 29.025 1.00 0.00 ATOM 333 CA GLY 39 29.928 39.750 28.832 1.00 0.00 ATOM 334 O GLY 39 30.887 39.080 30.955 1.00 0.00 ATOM 335 C GLY 39 31.065 39.684 29.896 1.00 0.00 ATOM 336 N GLU 40 32.205 40.301 29.600 1.00 0.00 ATOM 337 CA GLU 40 33.328 40.299 30.529 1.00 0.00 ATOM 338 CB GLU 40 33.284 41.801 31.249 1.00 0.00 ATOM 339 CG GLU 40 32.697 42.939 30.459 1.00 0.00 ATOM 340 CD GLU 40 32.460 44.149 31.310 1.00 0.00 ATOM 341 OE1 GLU 40 33.435 44.894 31.583 1.00 0.00 ATOM 342 OE2 GLU 40 31.272 44.398 31.653 1.00 0.00 ATOM 343 O GLU 40 33.526 38.690 32.321 1.00 0.00 ATOM 344 C GLU 40 33.650 38.927 31.101 1.00 0.00 ATOM 345 N PRO 41 33.997 37.972 30.248 1.00 0.00 ATOM 346 CA PRO 41 34.349 38.276 28.876 1.00 0.00 ATOM 347 CB PRO 41 35.525 37.362 28.533 1.00 0.00 ATOM 348 CG PRO 41 35.286 36.128 29.336 1.00 0.00 ATOM 349 CD PRO 41 34.682 36.585 30.634 1.00 0.00 ATOM 350 O PRO 41 32.249 37.314 28.226 1.00 0.00 ATOM 351 C PRO 41 33.201 38.027 27.903 1.00 0.00 ATOM 352 N GLU 42 33.298 38.592 26.697 1.00 0.00 ATOM 353 CA GLU 42 32.226 38.390 25.657 1.00 0.00 ATOM 354 CB GLU 42 32.312 39.429 24.537 1.00 0.00 ATOM 355 CG GLU 42 31.183 39.342 23.523 1.00 0.00 ATOM 356 CD GLU 42 31.311 40.374 22.419 1.00 0.00 ATOM 357 OE1 GLU 42 32.273 41.169 22.457 1.00 0.00 ATOM 358 OE2 GLU 42 30.449 40.386 21.515 1.00 0.00 ATOM 359 O GLU 42 33.354 36.589 24.546 1.00 0.00 ATOM 360 C GLU 42 32.336 36.964 25.129 1.00 0.00 ATOM 361 N LEU 43 31.323 36.148 25.408 1.00 0.00 ATOM 362 CA LEU 43 31.319 34.755 24.950 1.00 0.00 ATOM 363 CB LEU 43 31.632 33.884 26.168 1.00 0.00 ATOM 364 CG LEU 43 31.555 32.371 25.957 1.00 0.00 ATOM 365 CD1 LEU 43 32.639 31.906 24.996 1.00 0.00 ATOM 366 CD2 LEU 43 31.741 31.634 27.275 1.00 0.00 ATOM 367 O LEU 43 28.955 34.664 25.199 1.00 0.00 ATOM 368 C LEU 43 29.917 34.369 24.452 1.00 0.00 ATOM 369 N LYS 44 29.839 33.711 23.311 1.00 0.00 ATOM 370 CA LYS 44 28.583 33.092 22.810 1.00 0.00 ATOM 371 CB LYS 44 28.386 33.436 21.332 1.00 0.00 ATOM 372 CG LYS 44 28.209 34.920 21.058 1.00 0.00 ATOM 373 CD LYS 44 28.031 35.190 19.572 1.00 0.00 ATOM 374 CE LYS 44 27.834 36.672 19.300 1.00 0.00 ATOM 375 NZ LYS 44 27.574 36.942 17.859 1.00 0.00 ATOM 376 O LYS 44 29.762 31.023 22.584 1.00 0.00 ATOM 377 C LYS 44 28.721 31.602 22.998 1.00 0.00 ATOM 378 N THR 45 27.853 30.867 23.722 1.00 0.00 ATOM 379 CA THR 45 28.063 29.478 24.054 1.00 0.00 ATOM 380 CB THR 45 28.185 29.274 25.577 1.00 0.00 ATOM 381 CG2 THR 45 28.467 27.813 25.898 1.00 0.00 ATOM 382 OG1 THR 45 29.258 30.077 26.085 1.00 0.00 ATOM 383 O THR 45 25.799 29.032 23.446 1.00 0.00 ATOM 384 C THR 45 26.955 28.611 23.510 1.00 0.00 ATOM 385 N TYR 46 27.285 27.367 23.183 1.00 0.00 ATOM 386 CA TYR 46 26.296 26.436 22.649 1.00 0.00 ATOM 387 CB TYR 46 26.608 26.276 21.160 1.00 0.00 ATOM 388 CG TYR 46 26.555 27.570 20.380 1.00 0.00 ATOM 389 CD1 TYR 46 27.697 28.336 20.193 1.00 0.00 ATOM 390 CD2 TYR 46 25.358 28.022 19.834 1.00 0.00 ATOM 391 CE1 TYR 46 27.656 29.521 19.480 1.00 0.00 ATOM 392 CE2 TYR 46 25.300 29.203 19.119 1.00 0.00 ATOM 393 CZ TYR 46 26.462 29.954 18.947 1.00 0.00 ATOM 394 OH TYR 46 26.418 31.131 18.237 1.00 0.00 ATOM 395 O TYR 46 27.438 24.442 23.339 1.00 0.00 ATOM 396 C TYR 46 26.371 25.058 23.297 1.00 0.00 ATOM 397 N VAL 47 25.228 24.550 23.746 1.00 0.00 ATOM 398 CA VAL 47 25.174 23.217 24.390 1.00 0.00 ATOM 399 CB VAL 47 24.538 23.293 25.790 1.00 0.00 ATOM 400 CG1 VAL 47 24.560 21.928 26.460 1.00 0.00 ATOM 401 CG2 VAL 47 25.299 24.272 26.670 1.00 0.00 ATOM 402 O VAL 47 23.114 22.500 23.447 1.00 0.00 ATOM 403 C VAL 47 24.333 22.388 23.419 1.00 0.00 ATOM 404 N ILE 48 24.959 21.697 22.454 1.00 0.00 ATOM 405 CA ILE 48 24.220 21.091 21.333 1.00 0.00 ATOM 406 CB ILE 48 25.073 21.073 20.050 1.00 0.00 ATOM 407 CG1 ILE 48 25.448 22.498 19.639 1.00 0.00 ATOM 408 CG2 ILE 48 24.305 20.427 18.908 1.00 0.00 ATOM 409 CD1 ILE 48 26.467 22.563 18.524 1.00 0.00 ATOM 410 O ILE 48 24.594 18.812 21.964 1.00 0.00 ATOM 411 C ILE 48 23.771 19.686 21.694 1.00 0.00 ATOM 412 N GLU 49 22.459 19.466 21.701 1.00 0.00 ATOM 413 CA GLU 49 21.914 18.155 22.030 1.00 0.00 ATOM 414 CB GLU 49 20.585 18.338 22.767 1.00 0.00 ATOM 415 CG GLU 49 19.424 18.727 21.866 1.00 0.00 ATOM 416 CD GLU 49 19.462 20.188 21.464 1.00 0.00 ATOM 417 OE1 GLU 49 20.376 20.906 21.924 1.00 0.00 ATOM 418 OE2 GLU 49 18.580 20.615 20.691 1.00 0.00 ATOM 419 O GLU 49 21.331 16.069 21.017 1.00 0.00 ATOM 420 C GLU 49 21.623 17.252 20.834 1.00 0.00 ATOM 421 N ASP 50 21.673 17.803 19.627 1.00 0.00 ATOM 422 CA ASP 50 21.156 17.120 18.432 1.00 0.00 ATOM 423 CB ASP 50 21.292 18.019 17.201 1.00 0.00 ATOM 424 CG ASP 50 20.543 17.477 15.999 1.00 0.00 ATOM 425 OD1 ASP 50 19.306 17.332 16.085 1.00 0.00 ATOM 426 OD2 ASP 50 21.195 17.198 14.970 1.00 0.00 ATOM 427 O ASP 50 21.341 14.870 17.651 1.00 0.00 ATOM 428 C ASP 50 21.913 15.827 18.152 1.00 0.00 ATOM 429 N GLU 51 23.203 15.808 18.447 1.00 0.00 ATOM 430 CA GLU 51 24.050 14.671 18.114 1.00 0.00 ATOM 431 CB GLU 51 25.516 15.100 18.044 1.00 0.00 ATOM 432 CG GLU 51 25.835 16.036 16.891 1.00 0.00 ATOM 433 CD GLU 51 27.265 16.538 16.926 1.00 0.00 ATOM 434 OE1 GLU 51 27.996 16.182 17.874 1.00 0.00 ATOM 435 OE2 GLU 51 27.655 17.288 16.004 1.00 0.00 ATOM 436 O GLU 51 24.597 12.493 18.955 1.00 0.00 ATOM 437 C GLU 51 23.997 13.551 19.147 1.00 0.00 ATOM 438 N ILE 52 23.279 13.783 20.241 1.00 0.00 ATOM 439 CA ILE 52 23.155 12.777 21.300 1.00 0.00 ATOM 440 CB ILE 52 22.287 13.296 22.461 1.00 0.00 ATOM 441 CG1 ILE 52 22.888 14.577 23.043 1.00 0.00 ATOM 442 CG2 ILE 52 22.202 12.257 23.569 1.00 0.00 ATOM 443 CD1 ILE 52 24.284 14.400 23.599 1.00 0.00 ATOM 444 O ILE 52 21.643 11.478 19.966 1.00 0.00 ATOM 445 C ILE 52 22.651 11.486 20.672 1.00 0.00 ATOM 446 N VAL 53 23.357 10.386 20.922 1.00 0.00 ATOM 447 CA VAL 53 22.971 9.097 20.373 1.00 0.00 ATOM 448 CB VAL 53 24.192 8.275 19.833 1.00 0.00 ATOM 449 CG1 VAL 53 24.866 9.015 18.688 1.00 0.00 ATOM 450 CG2 VAL 53 25.174 8.020 20.963 1.00 0.00 ATOM 451 O VAL 53 22.548 8.391 22.626 1.00 0.00 ATOM 452 C VAL 53 22.253 8.273 21.437 1.00 0.00 ATOM 453 N GLU 54 21.317 7.433 21.007 1.00 0.00 ATOM 454 CA GLU 54 20.562 6.587 21.941 1.00 0.00 ATOM 455 CB GLU 54 21.458 5.265 22.236 1.00 0.00 ATOM 456 CG GLU 54 22.149 4.578 21.071 1.00 0.00 ATOM 457 CD GLU 54 21.236 3.637 20.314 1.00 0.00 ATOM 458 OE1 GLU 54 20.121 3.372 20.803 1.00 0.00 ATOM 459 OE2 GLU 54 21.637 3.152 19.239 1.00 0.00 ATOM 460 O GLU 54 20.064 7.169 24.244 1.00 0.00 ATOM 461 C GLU 54 19.959 7.469 23.045 1.00 0.00 ATOM 462 N PRO 55 19.353 8.521 22.696 1.00 0.00 ATOM 463 CA PRO 55 18.925 9.498 23.710 1.00 0.00 ATOM 464 CB PRO 55 18.374 10.708 22.916 1.00 0.00 ATOM 465 CG PRO 55 17.862 10.048 21.616 1.00 0.00 ATOM 466 CD PRO 55 18.928 8.973 21.335 1.00 0.00 ATOM 467 O PRO 55 16.806 8.379 24.051 1.00 0.00 ATOM 468 C PRO 55 17.699 9.103 24.521 1.00 0.00 ATOM 469 N GLY 56 17.705 9.584 25.758 1.00 0.00 ATOM 470 CA GLY 56 16.624 9.465 26.719 1.00 0.00 ATOM 471 O GLY 56 17.177 11.589 27.647 1.00 0.00 ATOM 472 C GLY 56 16.303 10.884 27.169 1.00 0.00 ATOM 473 N GLU 57 15.069 11.321 26.966 1.00 0.00 ATOM 474 CA GLU 57 14.658 12.679 27.308 1.00 0.00 ATOM 475 CB GLU 57 14.145 13.440 26.029 1.00 0.00 ATOM 476 CG GLU 57 12.776 12.918 25.563 1.00 0.00 ATOM 477 CD GLU 57 12.280 13.505 24.235 1.00 0.00 ATOM 478 OE1 GLU 57 12.901 14.433 23.681 1.00 0.00 ATOM 479 OE2 GLU 57 11.220 13.043 23.769 1.00 0.00 ATOM 480 O GLU 57 12.653 12.253 28.551 1.00 0.00 ATOM 481 C GLU 57 13.782 12.763 28.542 1.00 0.00 ATOM 482 N TYR 58 14.258 13.437 29.613 1.00 0.00 ATOM 483 CA TYR 58 13.457 13.589 30.806 1.00 0.00 ATOM 484 CB TYR 58 14.323 13.166 31.995 1.00 0.00 ATOM 485 CG TYR 58 14.752 11.717 31.955 1.00 0.00 ATOM 486 CD1 TYR 58 15.947 11.346 31.354 1.00 0.00 ATOM 487 CD2 TYR 58 13.960 10.725 32.520 1.00 0.00 ATOM 488 CE1 TYR 58 16.348 10.023 31.313 1.00 0.00 ATOM 489 CE2 TYR 58 14.345 9.398 32.489 1.00 0.00 ATOM 490 CZ TYR 58 15.550 9.052 31.878 1.00 0.00 ATOM 491 OH TYR 58 15.946 7.736 31.839 1.00 0.00 ATOM 492 O TYR 58 13.897 15.901 31.239 1.00 0.00 ATOM 493 C TYR 58 13.055 15.051 30.965 1.00 0.00 ATOM 494 N ASP 59 11.781 15.366 30.756 1.00 0.00 ATOM 495 CA ASP 59 11.308 16.725 31.031 1.00 0.00 ATOM 496 CB ASP 59 9.832 16.866 30.653 1.00 0.00 ATOM 497 CG ASP 59 9.617 16.896 29.151 1.00 0.00 ATOM 498 OD1 ASP 59 10.615 16.996 28.409 1.00 0.00 ATOM 499 OD2 ASP 59 8.447 16.819 28.718 1.00 0.00 ATOM 500 O ASP 59 11.320 16.208 33.364 1.00 0.00 ATOM 501 C ASP 59 11.448 17.074 32.504 1.00 0.00 ATOM 502 N PRO 60 11.724 18.343 32.796 1.00 0.00 ATOM 503 CA PRO 60 11.926 18.777 34.171 1.00 0.00 ATOM 504 CB PRO 60 12.266 20.231 34.071 1.00 0.00 ATOM 505 CG PRO 60 11.629 20.659 32.779 1.00 0.00 ATOM 506 CD PRO 60 11.965 19.507 31.881 1.00 0.00 ATOM 507 O PRO 60 10.723 18.195 36.174 1.00 0.00 ATOM 508 C PRO 60 10.633 18.488 34.970 1.00 0.00 ATOM 509 N PRO 61 9.465 18.614 34.306 1.00 0.00 ATOM 510 CA PRO 61 8.230 18.237 35.042 1.00 0.00 ATOM 511 CB PRO 61 7.084 18.626 34.132 1.00 0.00 ATOM 512 CG PRO 61 7.709 19.694 33.265 1.00 0.00 ATOM 513 CD PRO 61 9.090 19.239 33.006 1.00 0.00 ATOM 514 O PRO 61 7.409 16.602 36.601 1.00 0.00 ATOM 515 C PRO 61 8.158 16.827 35.649 1.00 0.00 ATOM 516 N GLU 62 8.943 15.894 35.115 1.00 0.00 ATOM 517 CA GLU 62 9.013 14.520 35.633 1.00 0.00 ATOM 518 CB GLU 62 9.557 13.571 34.562 1.00 0.00 ATOM 519 CG GLU 62 8.629 13.379 33.374 1.00 0.00 ATOM 520 CD GLU 62 9.253 12.535 32.279 1.00 0.00 ATOM 521 OE1 GLU 62 10.425 12.133 32.434 1.00 0.00 ATOM 522 OE2 GLU 62 8.570 12.276 31.266 1.00 0.00 ATOM 523 O GLU 62 10.098 13.247 37.353 1.00 0.00 ATOM 524 C GLU 62 9.934 14.357 36.846 1.00 0.00 ATOM 525 N MET 63 10.591 15.433 37.267 1.00 0.00 ATOM 526 CA MET 63 11.587 15.352 38.325 1.00 0.00 ATOM 527 CB MET 63 12.945 15.869 37.842 1.00 0.00 ATOM 528 CG MET 63 13.548 15.060 36.705 1.00 0.00 ATOM 529 SD MET 63 15.177 15.657 36.216 1.00 0.00 ATOM 530 CE MET 63 14.741 17.162 35.350 1.00 0.00 ATOM 531 O MET 63 11.255 17.426 39.471 1.00 0.00 ATOM 532 C MET 63 11.127 16.201 39.512 1.00 0.00 ATOM 533 N LYS 64 10.590 15.565 40.554 1.00 0.00 ATOM 534 CA LYS 64 10.186 16.290 41.766 1.00 0.00 ATOM 535 CB LYS 64 9.666 15.316 42.825 1.00 0.00 ATOM 536 CG LYS 64 8.353 14.644 42.459 1.00 0.00 ATOM 537 CD LYS 64 7.886 13.708 43.561 1.00 0.00 ATOM 538 CE LYS 64 6.582 13.021 43.186 1.00 0.00 ATOM 539 NZ LYS 64 6.131 12.071 44.239 1.00 0.00 ATOM 540 O LYS 64 12.447 16.529 42.498 1.00 0.00 ATOM 541 C LYS 64 11.347 17.070 42.380 1.00 0.00 ATOM 542 N TYR 65 11.090 18.325 42.742 1.00 0.00 ATOM 543 CA TYR 65 12.065 19.210 43.387 1.00 0.00 ATOM 544 CB TYR 65 12.793 18.472 44.514 1.00 0.00 ATOM 545 CG TYR 65 11.879 17.973 45.609 1.00 0.00 ATOM 546 CD1 TYR 65 11.548 16.627 45.700 1.00 0.00 ATOM 547 CD2 TYR 65 11.349 18.848 46.548 1.00 0.00 ATOM 548 CE1 TYR 65 10.714 16.160 46.698 1.00 0.00 ATOM 549 CE2 TYR 65 10.512 18.400 47.553 1.00 0.00 ATOM 550 CZ TYR 65 10.198 17.044 47.621 1.00 0.00 ATOM 551 OH TYR 65 9.366 16.582 48.616 1.00 0.00 ATOM 552 O TYR 65 13.954 20.594 42.885 1.00 0.00 ATOM 553 C TYR 65 13.153 19.757 42.467 1.00 0.00 ATOM 554 N THR 66 13.179 19.296 41.222 1.00 0.00 ATOM 555 CA THR 66 14.022 19.910 40.208 1.00 0.00 ATOM 556 CB THR 66 14.194 18.991 38.984 1.00 0.00 ATOM 557 CG2 THR 66 15.055 19.665 37.928 1.00 0.00 ATOM 558 OG1 THR 66 14.825 17.769 39.386 1.00 0.00 ATOM 559 O THR 66 12.108 21.246 39.675 1.00 0.00 ATOM 560 C THR 66 13.333 21.207 39.789 1.00 0.00 ATOM 561 N ASN 67 14.082 22.285 39.590 1.00 0.00 ATOM 562 CA ASN 67 13.499 23.557 39.204 1.00 0.00 ATOM 563 CB ASN 67 14.494 24.695 39.435 1.00 0.00 ATOM 564 CG ASN 67 14.708 24.993 40.906 1.00 0.00 ATOM 565 ND2 ASN 67 15.844 25.604 41.226 1.00 0.00 ATOM 566 OD1 ASN 67 13.863 24.677 41.743 1.00 0.00 ATOM 567 O ASN 67 12.662 24.746 37.333 1.00 0.00 ATOM 568 C ASN 67 13.076 23.666 37.754 1.00 0.00 ATOM 569 N VAL 68 13.178 22.606 36.952 1.00 0.00 ATOM 570 CA VAL 68 12.675 22.693 35.580 1.00 0.00 ATOM 571 CB VAL 68 14.075 21.658 34.958 1.00 0.00 ATOM 572 CG1 VAL 68 15.350 21.708 35.828 1.00 0.00 ATOM 573 CG2 VAL 68 13.445 20.279 35.013 1.00 0.00 ATOM 574 O VAL 68 10.588 22.600 34.417 1.00 0.00 ATOM 575 C VAL 68 11.173 22.471 35.495 1.00 0.00 ATOM 576 N LYS 69 10.534 22.136 36.611 1.00 0.00 ATOM 577 CA LYS 69 9.092 21.935 36.616 1.00 0.00 ATOM 578 CB LYS 69 8.587 21.703 38.041 1.00 0.00 ATOM 579 CG LYS 69 7.095 21.437 38.137 1.00 0.00 ATOM 580 CD LYS 69 6.676 21.142 39.569 1.00 0.00 ATOM 581 CE LYS 69 5.178 20.907 39.669 1.00 0.00 ATOM 582 NZ LYS 69 4.754 20.611 41.065 1.00 0.00 ATOM 583 O LYS 69 7.439 22.971 35.219 1.00 0.00 ATOM 584 C LYS 69 8.382 23.133 35.994 1.00 0.00 ATOM 585 N LYS 70 8.836 24.335 36.335 1.00 0.00 ATOM 586 CA LYS 70 8.228 25.585 35.791 1.00 0.00 ATOM 587 CB LYS 70 8.098 26.647 36.885 1.00 0.00 ATOM 588 CG LYS 70 7.371 27.907 36.444 1.00 0.00 ATOM 589 CD LYS 70 7.308 28.930 37.567 1.00 0.00 ATOM 590 CE LYS 70 6.572 30.187 37.129 1.00 0.00 ATOM 591 NZ LYS 70 6.500 31.196 38.221 1.00 0.00 ATOM 592 O LYS 70 10.294 26.418 34.914 1.00 0.00 ATOM 593 C LYS 70 9.130 26.093 34.679 1.00 0.00 ATOM 594 N VAL 71 8.592 26.162 33.466 1.00 0.00 ATOM 595 CA VAL 71 9.364 26.637 32.323 1.00 0.00 ATOM 596 CB VAL 71 10.094 25.409 31.651 1.00 0.00 ATOM 597 CG1 VAL 71 10.921 24.636 32.675 1.00 0.00 ATOM 598 CG2 VAL 71 9.037 24.507 31.019 1.00 0.00 ATOM 599 O VAL 71 7.376 27.236 31.072 1.00 0.00 ATOM 600 C VAL 71 8.522 27.538 31.418 1.00 0.00 ATOM 601 N LYS 72 8.611 25.278 29.473 1.00 0.00 ATOM 602 CA LYS 72 9.123 23.916 29.589 1.00 0.00 ATOM 603 CB LYS 72 8.434 22.951 28.648 1.00 0.00 ATOM 604 CG LYS 72 6.930 22.803 28.949 1.00 0.00 ATOM 605 CD LYS 72 6.735 22.034 30.250 1.00 0.00 ATOM 606 CE LYS 72 5.250 21.738 30.494 1.00 0.00 ATOM 607 NZ LYS 72 4.960 21.476 31.956 1.00 0.00 ATOM 608 O LYS 72 10.964 24.634 28.228 1.00 0.00 ATOM 609 C LYS 72 10.580 23.897 29.138 1.00 0.00 ATOM 610 N ILE 73 11.388 23.055 29.773 1.00 0.00 ATOM 611 CA ILE 73 12.826 22.946 29.421 1.00 0.00 ATOM 612 CB ILE 73 13.698 22.708 30.607 1.00 0.00 ATOM 613 CG1 ILE 73 13.621 24.005 31.501 1.00 0.00 ATOM 614 CG2 ILE 73 15.114 22.552 30.097 1.00 0.00 ATOM 615 CD1 ILE 73 14.381 23.755 32.818 1.00 0.00 ATOM 616 O ILE 73 12.143 20.742 28.845 1.00 0.00 ATOM 617 C ILE 73 12.844 21.715 28.564 1.00 0.00 ATOM 618 N LYS 74 13.520 21.805 27.424 1.00 0.00 ATOM 619 CA LYS 74 13.611 20.673 26.508 1.00 0.00 ATOM 620 CB LYS 74 13.333 21.134 25.086 1.00 0.00 ATOM 621 CG LYS 74 13.348 20.028 24.054 1.00 0.00 ATOM 622 CD LYS 74 13.364 20.667 22.680 1.00 0.00 ATOM 623 CE LYS 74 13.270 19.647 21.577 1.00 0.00 ATOM 624 NZ LYS 74 13.839 20.277 20.343 1.00 0.00 ATOM 625 O LYS 74 16.000 20.846 26.416 1.00 0.00 ATOM 626 C LYS 74 15.015 20.118 26.580 1.00 0.00 ATOM 627 N LYS 75 14.080 19.613 28.502 1.00 0.00 ATOM 628 CA LYS 75 14.444 18.203 28.659 1.00 0.00 ATOM 629 CB LYS 75 14.210 17.384 27.362 1.00 0.00 ATOM 630 CG LYS 75 12.729 17.270 27.014 1.00 0.00 ATOM 631 CD LYS 75 12.536 16.467 25.734 1.00 0.00 ATOM 632 CE LYS 75 11.096 15.997 25.641 1.00 0.00 ATOM 633 NZ LYS 75 10.845 15.330 24.324 1.00 0.00 ATOM 634 O LYS 75 16.742 18.845 28.862 1.00 0.00 ATOM 635 C LYS 75 15.874 18.029 29.154 1.00 0.00 ATOM 636 N VAL 76 16.103 16.957 29.907 1.00 0.00 ATOM 637 CA VAL 76 17.440 16.431 30.123 1.00 0.00 ATOM 638 CB VAL 76 17.762 16.288 31.634 1.00 0.00 ATOM 639 CG1 VAL 76 17.585 17.621 32.371 1.00 0.00 ATOM 640 CG2 VAL 76 16.865 15.229 32.253 1.00 0.00 ATOM 641 O VAL 76 16.898 14.287 29.201 1.00 0.00 ATOM 642 C VAL 76 17.688 15.223 29.207 1.00 0.00 ATOM 643 N TYR 77 18.702 15.296 28.381 1.00 0.00 ATOM 644 CA TYR 77 19.030 14.197 27.491 1.00 0.00 ATOM 645 CB TYR 77 19.414 14.766 26.142 1.00 0.00 ATOM 646 CG TYR 77 18.197 15.287 25.414 1.00 0.00 ATOM 647 CD1 TYR 77 17.379 14.428 24.678 1.00 0.00 ATOM 648 CD2 TYR 77 17.848 16.638 25.479 1.00 0.00 ATOM 649 CE1 TYR 77 16.252 14.901 24.016 1.00 0.00 ATOM 650 CE2 TYR 77 16.722 17.119 24.823 1.00 0.00 ATOM 651 CZ TYR 77 15.929 16.246 24.094 1.00 0.00 ATOM 652 OH TYR 77 14.814 16.723 23.447 1.00 0.00 ATOM 653 O TYR 77 21.330 14.086 28.163 1.00 0.00 ATOM 654 C TYR 77 20.277 13.471 27.982 1.00 0.00 ATOM 655 N PHE 78 20.160 12.164 28.196 1.00 0.00 ATOM 656 CA PHE 78 21.291 11.370 28.663 1.00 0.00 ATOM 657 CB PHE 78 20.890 10.514 29.866 1.00 0.00 ATOM 658 CG PHE 78 20.584 11.310 31.102 1.00 0.00 ATOM 659 CD1 PHE 78 19.286 11.699 31.388 1.00 0.00 ATOM 660 CD2 PHE 78 21.592 11.670 31.979 1.00 0.00 ATOM 661 CE1 PHE 78 19.004 12.432 32.525 1.00 0.00 ATOM 662 CE2 PHE 78 21.309 12.404 33.117 1.00 0.00 ATOM 663 CZ PHE 78 20.021 12.784 33.390 1.00 0.00 ATOM 664 O PHE 78 20.875 9.981 26.768 1.00 0.00 ATOM 665 C PHE 78 21.705 10.439 27.553 1.00 0.00 ATOM 666 N GLU 79 23.001 10.152 27.479 1.00 0.00 ATOM 667 CA GLU 79 23.520 9.260 26.448 1.00 0.00 ATOM 668 CB GLU 79 23.543 9.315 25.223 1.00 0.00 ATOM 669 CG GLU 79 22.542 8.226 24.781 1.00 0.00 ATOM 670 CD GLU 79 22.677 6.911 25.570 1.00 0.00 ATOM 671 OE1 GLU 79 23.825 6.414 25.651 1.00 0.00 ATOM 672 OE2 GLU 79 21.654 6.371 26.087 1.00 0.00 ATOM 673 O GLU 79 25.647 9.708 27.438 1.00 0.00 ATOM 674 C GLU 79 25.025 9.376 26.428 1.00 0.00 ATOM 675 N THR 80 25.622 9.106 25.271 1.00 0.00 ATOM 676 CA THR 80 27.070 9.187 25.130 1.00 0.00 ATOM 677 CB THR 80 27.742 7.829 24.859 1.00 0.00 ATOM 678 CG2 THR 80 27.429 6.847 25.979 1.00 0.00 ATOM 679 OG1 THR 80 27.257 7.290 23.622 1.00 0.00 ATOM 680 O THR 80 26.777 10.138 22.950 1.00 0.00 ATOM 681 C THR 80 27.442 10.106 23.976 1.00 0.00 ATOM 682 N LEU 81 28.491 10.898 24.174 1.00 0.00 ATOM 683 CA LEU 81 29.077 11.683 23.099 1.00 0.00 ATOM 684 CB LEU 81 28.998 13.174 23.430 1.00 0.00 ATOM 685 CG LEU 81 29.631 14.128 22.414 1.00 0.00 ATOM 686 CD1 LEU 81 28.864 14.099 21.101 1.00 0.00 ATOM 687 CD2 LEU 81 29.622 15.556 22.938 1.00 0.00 ATOM 688 O LEU 81 31.256 11.229 23.992 1.00 0.00 ATOM 689 C LEU 81 30.528 11.226 23.000 1.00 0.00 ATOM 690 N ASP 82 30.947 10.835 21.800 1.00 0.00 ATOM 691 CA ASP 82 32.290 10.389 21.602 1.00 0.00 ATOM 692 CB ASP 82 33.276 11.551 21.747 1.00 0.00 ATOM 693 CG ASP 82 33.078 12.618 20.689 1.00 0.00 ATOM 694 OD1 ASP 82 32.998 12.263 19.494 1.00 0.00 ATOM 695 OD2 ASP 82 33.004 13.811 21.055 1.00 0.00 ATOM 696 O ASP 82 33.749 9.272 23.143 1.00 0.00 ATOM 697 C ASP 82 32.630 9.316 22.630 1.00 0.00 ATOM 698 N ASN 83 31.647 8.490 22.973 1.00 0.00 ATOM 699 CA ASN 83 31.858 7.405 23.962 1.00 0.00 ATOM 700 CB ASN 83 33.276 6.843 23.830 1.00 0.00 ATOM 701 CG ASN 83 33.493 6.112 22.520 1.00 0.00 ATOM 702 ND2 ASN 83 34.725 6.140 22.025 1.00 0.00 ATOM 703 OD1 ASN 83 32.563 5.530 21.961 1.00 0.00 ATOM 704 O ASN 83 31.858 6.842 26.313 1.00 0.00 ATOM 705 C ASN 83 31.784 7.740 25.473 1.00 0.00 ATOM 706 N VAL 84 31.639 9.021 25.798 1.00 0.00 ATOM 707 CA VAL 84 31.556 9.442 27.192 1.00 0.00 ATOM 708 CB VAL 84 32.374 10.731 27.382 1.00 0.00 ATOM 709 CG1 VAL 84 32.272 11.221 28.820 1.00 0.00 ATOM 710 CG2 VAL 84 33.841 10.485 27.062 1.00 0.00 ATOM 711 O VAL 84 29.322 10.212 26.778 1.00 0.00 ATOM 712 C VAL 84 30.105 9.702 27.580 1.00 0.00 ATOM 713 N ARG 85 29.748 9.353 28.813 1.00 0.00 ATOM 714 CA ARG 85 28.375 9.560 29.299 1.00 0.00 ATOM 715 CB ARG 85 28.137 8.758 30.579 1.00 0.00 ATOM 716 CG ARG 85 26.713 8.834 31.103 1.00 0.00 ATOM 717 CD ARG 85 26.548 8.021 32.377 1.00 0.00 ATOM 718 NE ARG 85 26.700 6.588 32.133 1.00 0.00 ATOM 719 CZ ARG 85 25.739 5.806 31.654 1.00 0.00 ATOM 720 NH1 ARG 85 25.968 4.514 31.465 1.00 0.00 ATOM 721 NH2 ARG 85 24.550 6.317 31.366 1.00 0.00 ATOM 722 O ARG 85 28.954 11.735 30.155 1.00 0.00 ATOM 723 C ARG 85 28.137 11.062 29.526 1.00 0.00 ATOM 724 N VAL 86 27.023 11.573 29.015 1.00 0.00 ATOM 725 CA VAL 86 26.697 12.986 29.175 1.00 0.00 ATOM 726 CB VAL 86 26.934 13.816 27.899 1.00 0.00 ATOM 727 CG1 VAL 86 28.411 13.824 27.535 1.00 0.00 ATOM 728 CG2 VAL 86 26.154 13.233 26.731 1.00 0.00 ATOM 729 O VAL 86 24.393 12.334 29.215 1.00 0.00 ATOM 730 C VAL 86 25.225 13.185 29.502 1.00 0.00 ATOM 731 N VAL 87 24.938 14.296 30.152 1.00 0.00 ATOM 732 CA VAL 87 23.576 14.788 30.293 1.00 0.00 ATOM 733 CB VAL 87 23.146 14.788 31.771 1.00 0.00 ATOM 734 CG1 VAL 87 24.073 15.667 32.598 1.00 0.00 ATOM 735 CG2 VAL 87 21.726 15.317 31.914 1.00 0.00 ATOM 736 O VAL 87 24.441 17.005 30.038 1.00 0.00 ATOM 737 C VAL 87 23.578 16.189 29.711 1.00 0.00 ATOM 738 N THR 88 22.611 16.471 28.843 1.00 0.00 ATOM 739 CA THR 88 22.514 17.786 28.221 1.00 0.00 ATOM 740 CB THR 88 22.359 17.653 26.715 1.00 0.00 ATOM 741 CG2 THR 88 22.242 18.999 26.031 1.00 0.00 ATOM 742 OG1 THR 88 23.565 17.035 26.249 1.00 0.00 ATOM 743 O THR 88 20.159 17.858 28.599 1.00 0.00 ATOM 744 C THR 88 21.227 18.439 28.687 1.00 0.00 ATOM 745 N ASP 89 20.769 18.058 31.268 1.00 0.00 ATOM 746 CA ASP 89 21.223 18.694 32.508 1.00 0.00 ATOM 747 CB ASP 89 21.807 17.651 33.462 1.00 0.00 ATOM 748 CG ASP 89 22.223 18.247 34.792 1.00 0.00 ATOM 749 OD1 ASP 89 22.157 19.486 34.936 1.00 0.00 ATOM 750 OD2 ASP 89 22.616 17.474 35.693 1.00 0.00 ATOM 751 O ASP 89 23.395 19.304 31.701 1.00 0.00 ATOM 752 C ASP 89 22.282 19.694 32.063 1.00 0.00 ATOM 753 N TYR 90 21.893 20.968 31.950 1.00 0.00 ATOM 754 CA TYR 90 22.822 21.958 31.390 1.00 0.00 ATOM 755 CB TYR 90 22.173 23.343 31.355 1.00 0.00 ATOM 756 CG TYR 90 22.026 23.987 32.715 1.00 0.00 ATOM 757 CD1 TYR 90 23.025 24.807 33.224 1.00 0.00 ATOM 758 CD2 TYR 90 20.890 23.771 33.485 1.00 0.00 ATOM 759 CE1 TYR 90 22.900 25.399 34.468 1.00 0.00 ATOM 760 CE2 TYR 90 20.748 24.355 34.729 1.00 0.00 ATOM 761 CZ TYR 90 21.765 25.174 35.217 1.00 0.00 ATOM 762 OH TYR 90 21.639 25.763 36.454 1.00 0.00 ATOM 763 O TYR 90 25.167 22.396 31.648 1.00 0.00 ATOM 764 C TYR 90 24.107 22.099 32.200 1.00 0.00 ATOM 765 N SER 91 24.010 21.884 33.508 1.00 0.00 ATOM 766 CA SER 91 25.185 21.989 34.392 1.00 0.00 ATOM 767 CB SER 91 24.842 21.772 35.867 1.00 0.00 ATOM 768 OG SER 91 24.459 20.430 36.110 1.00 0.00 ATOM 769 O SER 91 27.529 21.520 34.184 1.00 0.00 ATOM 770 C SER 91 26.378 21.126 33.994 1.00 0.00 ATOM 771 N GLU 92 26.101 19.949 33.442 1.00 0.00 ATOM 772 CA GLU 92 27.187 19.008 33.005 1.00 0.00 ATOM 773 CB GLU 92 26.626 17.685 32.481 1.00 0.00 ATOM 774 CG GLU 92 27.689 16.669 32.093 1.00 0.00 ATOM 775 CD GLU 92 28.491 16.183 33.284 1.00 0.00 ATOM 776 OE1 GLU 92 28.093 16.478 34.430 1.00 0.00 ATOM 777 OE2 GLU 92 29.520 15.507 33.070 1.00 0.00 ATOM 778 O GLU 92 29.246 19.578 31.915 1.00 0.00 ATOM 779 C GLU 92 28.016 19.656 31.904 1.00 0.00 ATOM 780 N PHE 93 27.343 20.297 30.954 1.00 0.00 ATOM 781 CA PHE 93 28.033 20.957 29.853 1.00 0.00 ATOM 782 CB PHE 93 26.995 21.297 28.742 1.00 0.00 ATOM 783 CG PHE 93 27.600 21.585 27.371 1.00 0.00 ATOM 784 CD1 PHE 93 28.055 22.845 27.062 1.00 0.00 ATOM 785 CD2 PHE 93 27.686 20.573 26.392 1.00 0.00 ATOM 786 CE1 PHE 93 28.563 23.123 25.804 1.00 0.00 ATOM 787 CE2 PHE 93 28.180 20.845 25.156 1.00 0.00 ATOM 788 CZ PHE 93 28.611 22.125 24.846 1.00 0.00 ATOM 789 O PHE 93 29.934 22.421 29.887 1.00 0.00 ATOM 790 C PHE 93 28.802 22.190 30.315 1.00 0.00 ATOM 791 N GLN 94 28.175 22.997 31.164 1.00 0.00 ATOM 792 CA GLN 94 28.828 24.253 31.701 1.00 0.00 ATOM 793 CB GLN 94 27.873 25.036 32.605 1.00 0.00 ATOM 794 CG GLN 94 26.735 25.717 31.863 1.00 0.00 ATOM 795 CD GLN 94 25.767 26.418 32.796 1.00 0.00 ATOM 796 OE1 GLN 94 25.919 26.366 34.017 1.00 0.00 ATOM 797 NE2 GLN 94 24.768 27.078 32.223 1.00 0.00 ATOM 798 O GLN 94 31.150 24.530 32.340 1.00 0.00 ATOM 799 C GLN 94 30.122 23.864 32.476 1.00 0.00 ATOM 800 N LYS 95 30.068 22.769 33.230 1.00 0.00 ATOM 801 CA LYS 95 31.227 22.319 33.993 1.00 0.00 ATOM 802 CB LYS 95 30.880 21.171 34.943 1.00 0.00 ATOM 803 CG LYS 95 30.017 21.584 36.124 1.00 0.00 ATOM 804 CD LYS 95 29.715 20.399 37.027 1.00 0.00 ATOM 805 CE LYS 95 28.824 20.804 38.190 1.00 0.00 ATOM 806 NZ LYS 95 28.500 19.648 39.071 1.00 0.00 ATOM 807 O LYS 95 33.511 22.135 33.242 1.00 0.00 ATOM 808 C LYS 95 32.305 21.841 33.045 1.00 0.00 ATOM 809 N ILE 96 31.931 21.168 31.944 1.00 0.00 ATOM 810 CA ILE 96 32.890 20.721 30.940 1.00 0.00 ATOM 811 CB ILE 96 32.208 19.878 29.845 1.00 0.00 ATOM 812 CG1 ILE 96 31.719 18.548 30.421 1.00 0.00 ATOM 813 CG2 ILE 96 33.183 19.585 28.716 1.00 0.00 ATOM 814 CD1 ILE 96 30.810 17.777 29.491 1.00 0.00 ATOM 815 O ILE 96 34.804 21.990 30.167 1.00 0.00 ATOM 816 C ILE 96 33.576 21.942 30.304 1.00 0.00 ATOM 817 N LEU 97 32.777 22.960 29.955 1.00 0.00 ATOM 818 CA LEU 97 33.328 24.169 29.358 1.00 0.00 ATOM 819 CB LEU 97 32.197 25.134 28.991 1.00 0.00 ATOM 820 CG LEU 97 31.286 24.705 27.842 1.00 0.00 ATOM 821 CD1 LEU 97 30.108 25.658 27.705 1.00 0.00 ATOM 822 CD2 LEU 97 32.047 24.699 26.525 1.00 0.00 ATOM 823 O LEU 97 35.412 25.249 29.851 1.00 0.00 ATOM 824 C LEU 97 34.328 24.854 30.281 1.00 0.00 ATOM 825 N LYS 98 33.963 24.995 31.552 1.00 0.00 ATOM 826 CA LYS 98 34.864 25.660 32.571 1.00 0.00 ATOM 827 CB LYS 98 34.173 25.710 33.936 1.00 0.00 ATOM 828 CG LYS 98 34.956 26.465 34.998 1.00 0.00 ATOM 829 CD LYS 98 34.173 26.557 36.299 1.00 0.00 ATOM 830 CE LYS 98 34.965 27.290 37.369 1.00 0.00 ATOM 831 NZ LYS 98 34.219 27.368 38.655 1.00 0.00 ATOM 832 O LYS 98 37.250 25.523 32.777 1.00 0.00 ATOM 833 C LYS 98 36.184 24.909 32.715 1.00 0.00 ATOM 834 N LYS 99 36.112 23.584 32.767 1.00 0.00 ATOM 835 CA LYS 99 37.304 22.774 32.899 1.00 0.00 ATOM 836 CB LYS 99 36.937 21.296 33.051 1.00 0.00 ATOM 837 CG LYS 99 36.238 20.961 34.358 1.00 0.00 ATOM 838 CD LYS 99 35.875 19.487 34.427 1.00 0.00 ATOM 839 CE LYS 99 35.207 19.144 35.749 1.00 0.00 ATOM 840 NZ LYS 99 34.831 17.705 35.827 1.00 0.00 ATOM 841 O LYS 99 39.416 22.666 31.758 1.00 0.00 ATOM 842 C LYS 99 38.207 22.911 31.682 1.00 0.00 ATOM 843 N ARG 100 37.632 23.338 30.530 1.00 0.00 ATOM 844 CA ARG 100 38.408 23.530 29.307 1.00 0.00 ATOM 845 CB ARG 100 37.496 23.353 28.092 1.00 0.00 ATOM 846 CG ARG 100 37.002 21.930 27.886 1.00 0.00 ATOM 847 CD ARG 100 36.058 21.838 26.701 1.00 0.00 ATOM 848 NE ARG 100 35.526 20.489 26.527 1.00 0.00 ATOM 849 CZ ARG 100 34.596 20.161 25.637 1.00 0.00 ATOM 850 NH1 ARG 100 34.172 18.908 25.550 1.00 0.00 ATOM 851 NH2 ARG 100 34.089 21.088 24.835 1.00 0.00 ATOM 852 O ARG 100 39.576 25.312 28.179 1.00 0.00 ATOM 853 C ARG 100 38.982 24.954 29.197 1.00 0.00 ATOM 854 N GLY 101 38.800 25.755 30.243 1.00 0.00 ATOM 855 CA GLY 101 39.305 27.123 30.244 1.00 0.00 ATOM 856 O GLY 101 38.680 29.411 30.025 1.00 0.00 ATOM 857 C GLY 101 38.341 28.229 29.869 1.00 0.00 ATOM 858 N THR 102 37.083 27.908 29.529 1.00 0.00 ATOM 859 CA THR 102 36.145 28.937 29.068 1.00 0.00 ATOM 860 CB THR 102 35.036 28.335 28.185 1.00 0.00 ATOM 861 CG2 THR 102 34.062 29.416 27.742 1.00 0.00 ATOM 862 OG1 THR 102 35.621 27.731 27.024 1.00 0.00 ATOM 863 O THR 102 35.077 28.920 31.203 1.00 0.00 ATOM 864 C THR 102 35.403 29.579 30.215 1.00 0.00 ATOM 865 N LYS 103 35.129 30.874 30.090 1.00 0.00 ATOM 866 CA LYS 103 34.416 31.600 31.135 1.00 0.00 ATOM 867 CB LYS 103 34.626 33.108 30.990 1.00 0.00 ATOM 868 CG LYS 103 36.086 33.530 30.959 1.00 0.00 ATOM 869 CD LYS 103 36.786 33.195 32.264 1.00 0.00 ATOM 870 CE LYS 103 38.212 33.721 32.278 1.00 0.00 ATOM 871 NZ LYS 103 38.904 33.417 33.561 1.00 0.00 ATOM 872 O LYS 103 32.209 31.439 30.228 1.00 0.00 ATOM 873 C LYS 103 32.934 31.303 31.214 1.00 0.00 ATOM 874 N LEU 104 32.476 30.896 32.394 1.00 0.00 ATOM 875 CA LEU 104 31.065 30.583 32.590 1.00 0.00 ATOM 876 CB LEU 104 31.201 28.890 32.600 1.00 0.00 ATOM 877 CG LEU 104 30.017 28.025 32.229 1.00 0.00 ATOM 878 CD1 LEU 104 30.445 27.341 30.953 1.00 0.00 ATOM 879 CD2 LEU 104 29.615 26.999 33.323 1.00 0.00 ATOM 880 O LEU 104 29.372 31.047 34.244 1.00 0.00 ATOM 881 C LEU 104 30.389 31.445 33.676 1.00 0.00 ATOM 882 N GLU 105 30.958 32.615 33.953 1.00 0.00 ATOM 883 CA GLU 105 30.399 33.508 34.960 1.00 0.00 ATOM 884 CB GLU 105 31.158 34.834 35.037 1.00 0.00 ATOM 885 CG GLU 105 32.559 34.714 35.612 1.00 0.00 ATOM 886 CD GLU 105 33.325 36.022 35.559 1.00 0.00 ATOM 887 OE1 GLU 105 32.786 37.003 35.003 1.00 0.00 ATOM 888 OE2 GLU 105 34.463 36.066 36.070 1.00 0.00 ATOM 889 O GLU 105 28.074 33.667 35.554 1.00 0.00 ATOM 890 C GLU 105 28.919 33.779 34.665 1.00 0.00 ATOM 891 N HIS 106 28.615 34.135 33.422 1.00 0.00 ATOM 892 CA HIS 106 27.238 34.415 33.030 1.00 0.00 ATOM 893 CB HIS 106 27.135 34.772 31.595 1.00 0.00 ATOM 894 CG HIS 106 25.727 34.958 31.122 1.00 0.00 ATOM 895 CD2 HIS 106 24.914 34.145 30.406 1.00 0.00 ATOM 896 ND1 HIS 106 24.987 36.085 31.407 1.00 0.00 ATOM 897 CE1 HIS 106 23.778 35.958 30.885 1.00 0.00 ATOM 898 NE2 HIS 106 23.709 34.790 30.274 1.00 0.00 ATOM 899 O HIS 106 25.203 33.302 33.642 1.00 0.00 ATOM 900 C HIS 106 26.349 33.189 33.204 1.00 0.00 ATOM 901 N HIS 107 26.877 32.018 32.860 1.00 0.00 ATOM 902 CA HIS 107 26.111 30.759 32.987 1.00 0.00 ATOM 903 CB HIS 107 27.136 29.662 32.693 1.00 0.00 ATOM 904 CG HIS 107 27.469 29.519 31.240 1.00 0.00 ATOM 905 CD2 HIS 107 27.019 28.664 30.151 1.00 0.00 ATOM 906 ND1 HIS 107 28.409 30.307 30.612 1.00 0.00 ATOM 907 CE1 HIS 107 28.486 29.946 29.319 1.00 0.00 ATOM 908 NE2 HIS 107 27.656 28.962 29.036 1.00 0.00 ATOM 909 O HIS 107 24.635 29.767 34.584 1.00 0.00 ATOM 910 C HIS 107 25.636 30.460 34.390 1.00 0.00 ATOM 911 N HIS 108 26.353 30.983 35.380 1.00 0.00 ATOM 912 CA HIS 108 25.989 30.765 36.776 1.00 0.00 ATOM 913 CB HIS 108 27.187 31.107 37.663 1.00 0.00 ATOM 914 CG HIS 108 28.340 30.165 37.511 1.00 0.00 ATOM 915 CD2 HIS 108 28.568 28.906 36.814 1.00 0.00 ATOM 916 ND1 HIS 108 29.563 30.383 38.106 1.00 0.00 ATOM 917 CE1 HIS 108 30.392 29.372 37.788 1.00 0.00 ATOM 918 NE2 HIS 108 29.801 28.482 37.014 1.00 0.00 ATOM 919 O HIS 108 24.247 31.182 38.357 1.00 0.00 ATOM 920 C HIS 108 24.796 31.550 37.320 1.00 0.00 ATOM 921 N HIS 109 24.398 32.610 36.604 1.00 0.00 ATOM 922 CA HIS 109 23.207 33.352 37.007 1.00 0.00 ATOM 923 CB HIS 109 23.186 34.732 36.346 1.00 0.00 ATOM 924 CG HIS 109 24.229 35.669 36.867 1.00 0.00 ATOM 925 CD2 HIS 109 25.508 36.171 36.385 1.00 0.00 ATOM 926 ND1 HIS 109 24.121 36.302 38.087 1.00 0.00 ATOM 927 CE1 HIS 109 25.205 37.075 38.277 1.00 0.00 ATOM 928 NE2 HIS 109 26.042 37.001 37.261 1.00 0.00 ATOM 929 O HIS 109 22.095 31.640 35.751 1.00 0.00 ATOM 930 C HIS 109 21.988 32.550 36.573 1.00 0.00 ATOM 931 N HIS 110 20.827 32.890 37.125 1.00 0.00 ATOM 932 CA HIS 110 19.593 32.192 36.781 1.00 0.00 ATOM 933 CB HIS 110 18.515 32.479 37.827 1.00 0.00 ATOM 934 CG HIS 110 18.851 31.974 39.195 1.00 0.00 ATOM 935 CD2 HIS 110 19.264 32.579 40.454 1.00 0.00 ATOM 936 ND1 HIS 110 18.813 30.636 39.526 1.00 0.00 ATOM 937 CE1 HIS 110 19.163 30.494 40.816 1.00 0.00 ATOM 938 NE2 HIS 110 19.434 31.655 41.380 1.00 0.00 ATOM 939 O HIS 110 18.075 31.866 34.987 1.00 0.00 ATOM 940 C HIS 110 19.083 32.450 35.387 1.00 0.00 ATOM 941 N HIS 111 19.717 33.359 34.624 1.00 0.00 ATOM 942 CA HIS 111 19.258 33.604 33.251 1.00 0.00 ATOM 943 CB HIS 111 19.807 34.963 32.814 1.00 0.00 ATOM 944 CG HIS 111 19.323 36.117 33.640 1.00 0.00 ATOM 945 CD2 HIS 111 20.003 37.045 34.355 1.00 0.00 ATOM 946 ND1 HIS 111 17.990 36.455 33.743 1.00 0.00 ATOM 947 CE1 HIS 111 17.870 37.543 34.482 1.00 0.00 ATOM 948 NE2 HIS 111 19.076 37.922 34.865 1.00 0.00 ATOM 949 O HIS 111 20.194 31.464 32.615 1.00 0.00 ATOM 950 C HIS 111 19.711 32.540 32.243 1.00 0.00 TER END