PFRMAT TS TARGET T0446 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 Our model 4 comes strictly from our own methods, but the other models METHOD are optimized from other server models, because our models missed the METHOD short strand M8-N10. The metaserver run MQAC1 chose to optimize the METHOD BAKER_ROBETTA_TS2 model, and we combined parts of models from that METHOD lineage with modesl from our own methods. METHOD METHOD Model METHOD 1 T0446.try8-opt3.pdb # < chimera-try7-try5 METHOD chimera-try7-try5: METHOD mostly from T0446.try7-opt3.gromacs0.pdb METHOD D55-I74 from T0446.try5-opt3.pdb METHOD METHOD try7 < chimera-try5-try4 METHOD chimera-try5-try4: METHOD M1-I26 from T0446.try5-opt3.gromacs0.pdb METHOD M27-L124 from try4-opt3.pdb METHOD METHOD 2 T0446.try6-opt3.gromacs0.repack-nonPC.pdb # < chimera-try5-try4 METHOD METHOD 3 T0446.try5-opt3.pdb # < MQAC1-opt3.gromacs0 < BAKER_ROBETTA_TS2 METHOD METHOD 4 T0446.try4-opt3.pdb # < try3-opt3.gromacs0 < try2-opt3 < try1-opt3 < align(3b77A? 2bsqA?) METHOD METHOD 5 T0446.MQAU1-opt3.gromacs0.repack-nonPC.pdb # < SAM-T08-server_TS1 METHOD REMARK 6 REMARK 6 T0446 model 4 Tue Jul 1 14:09:01 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 34.553 11.117 15.073 1.00 0.00 ATOM 2 CA MET 1 33.858 9.907 14.584 1.00 0.00 ATOM 3 CB MET 1 32.988 9.230 15.669 1.00 0.00 ATOM 4 CG MET 1 31.548 9.739 15.776 1.00 0.00 ATOM 5 SD MET 1 30.344 8.744 16.717 1.00 0.00 ATOM 6 CE MET 1 31.198 8.580 18.265 1.00 0.00 ATOM 7 O MET 1 32.868 11.382 12.971 1.00 0.00 ATOM 8 C MET 1 33.013 10.220 13.354 1.00 0.00 ATOM 9 N GLY 2 32.457 9.182 12.736 1.00 0.00 ATOM 10 CA GLY 2 31.603 9.360 11.520 1.00 0.00 ATOM 11 O GLY 2 30.187 11.268 11.189 1.00 0.00 ATOM 12 C GLY 2 30.391 10.233 11.826 1.00 0.00 ATOM 13 N LEU 3 29.619 9.845 12.835 1.00 0.00 ATOM 14 CA LEU 3 28.451 10.600 13.209 1.00 0.00 ATOM 15 CB LEU 3 27.681 9.761 14.217 1.00 0.00 ATOM 16 CG LEU 3 26.388 10.417 14.726 1.00 0.00 ATOM 17 CD1 LEU 3 25.403 10.702 13.602 1.00 0.00 ATOM 18 CD2 LEU 3 25.718 9.455 15.696 1.00 0.00 ATOM 19 O LEU 3 28.159 12.985 13.480 1.00 0.00 ATOM 20 C LEU 3 28.804 11.988 13.805 1.00 0.00 ATOM 21 N LEU 4 29.819 12.035 14.664 1.00 0.00 ATOM 22 CA LEU 4 30.232 13.291 15.278 1.00 0.00 ATOM 23 CB LEU 4 31.321 13.086 16.351 1.00 0.00 ATOM 24 CG LEU 4 30.878 12.211 17.531 1.00 0.00 ATOM 25 CD1 LEU 4 32.033 12.027 18.511 1.00 0.00 ATOM 26 CD2 LEU 4 29.593 12.681 18.199 1.00 0.00 ATOM 27 O LEU 4 30.439 15.495 14.277 1.00 0.00 ATOM 28 C LEU 4 30.723 14.275 14.213 1.00 0.00 ATOM 29 N ASP 5 31.450 13.760 13.217 1.00 0.00 ATOM 30 CA ASP 5 31.944 14.618 12.133 1.00 0.00 ATOM 31 CB ASP 5 32.923 13.867 11.220 1.00 0.00 ATOM 32 CG ASP 5 34.264 13.515 11.891 1.00 0.00 ATOM 33 OD1 ASP 5 34.558 14.011 12.992 1.00 0.00 ATOM 34 OD2 ASP 5 34.932 12.602 11.378 1.00 0.00 ATOM 35 O ASP 5 30.789 16.366 10.965 1.00 0.00 ATOM 36 C ASP 5 30.780 15.191 11.331 1.00 0.00 ATOM 37 N ALA 6 29.781 14.357 11.059 1.00 0.00 ATOM 38 CA ALA 6 28.618 14.797 10.298 1.00 0.00 ATOM 39 CB ALA 6 27.763 13.604 9.942 1.00 0.00 ATOM 40 O ALA 6 27.310 16.808 10.455 1.00 0.00 ATOM 41 C ALA 6 27.819 15.861 11.057 1.00 0.00 ATOM 42 N LEU 7 27.683 15.681 12.367 1.00 0.00 ATOM 43 CA LEU 7 26.944 16.634 13.187 1.00 0.00 ATOM 44 CB LEU 7 26.780 16.138 14.638 1.00 0.00 ATOM 45 CG LEU 7 25.691 15.082 14.759 1.00 0.00 ATOM 46 CD1 LEU 7 25.924 14.283 16.032 1.00 0.00 ATOM 47 CD2 LEU 7 24.295 15.713 14.752 1.00 0.00 ATOM 48 O LEU 7 27.133 19.037 12.990 1.00 0.00 ATOM 49 C LEU 7 27.720 17.962 13.190 1.00 0.00 ATOM 50 N MET 8 29.002 17.900 13.413 1.00 0.00 ATOM 51 CA MET 8 29.838 19.110 13.285 1.00 0.00 ATOM 52 CB MET 8 31.295 18.801 13.614 1.00 0.00 ATOM 53 CG MET 8 31.517 18.260 15.026 1.00 0.00 ATOM 54 SD MET 8 31.135 19.402 16.397 1.00 0.00 ATOM 55 CE MET 8 29.464 18.959 16.804 1.00 0.00 ATOM 56 O MET 8 29.735 20.879 11.652 1.00 0.00 ATOM 57 C MET 8 29.792 19.671 11.854 1.00 0.00 ATOM 58 N GLY 9 29.810 18.781 10.851 1.00 0.00 ATOM 59 CA GLY 9 29.741 19.230 9.451 1.00 0.00 ATOM 60 O GLY 9 28.535 21.121 8.594 1.00 0.00 ATOM 61 C GLY 9 28.476 20.026 9.162 1.00 0.00 ATOM 62 N ASN 10 27.323 19.533 9.605 1.00 0.00 ATOM 63 CA ASN 10 26.060 20.221 9.371 1.00 0.00 ATOM 64 CB ASN 10 24.945 19.243 9.708 1.00 0.00 ATOM 65 CG ASN 10 24.949 18.101 8.699 1.00 0.00 ATOM 66 ND2 ASN 10 25.346 18.383 7.488 1.00 0.00 ATOM 67 OD1 ASN 10 24.610 16.967 9.013 1.00 0.00 ATOM 68 O ASN 10 24.557 21.864 10.206 1.00 0.00 ATOM 69 C ASN 10 25.724 21.470 10.172 1.00 0.00 ATOM 70 N ALA 11 26.628 21.885 11.024 1.00 0.00 ATOM 71 CA ALA 11 26.481 23.047 11.924 1.00 0.00 ATOM 72 CB ALA 11 27.302 22.575 13.008 1.00 0.00 ATOM 73 O ALA 11 27.530 25.143 12.516 1.00 0.00 ATOM 74 C ALA 11 27.469 24.187 11.719 1.00 0.00 ATOM 75 N ALA 12 28.505 23.800 10.985 1.00 0.00 ATOM 76 CA ALA 12 29.663 24.672 10.895 1.00 0.00 ATOM 77 CB ALA 12 30.650 24.143 9.895 1.00 0.00 ATOM 78 O ALA 12 29.857 27.063 10.958 1.00 0.00 ATOM 79 C ALA 12 29.241 26.090 10.522 1.00 0.00 ATOM 80 N GLU 13 28.190 26.204 9.716 1.00 0.00 ATOM 81 CA GLU 13 27.703 27.505 9.300 1.00 0.00 ATOM 82 CB GLU 13 26.716 27.234 8.065 1.00 0.00 ATOM 83 CG GLU 13 27.393 26.703 6.817 1.00 0.00 ATOM 84 CD GLU 13 28.362 27.703 6.208 1.00 0.00 ATOM 85 OE1 GLU 13 27.909 28.638 5.517 1.00 0.00 ATOM 86 OE2 GLU 13 29.583 27.564 6.429 1.00 0.00 ATOM 87 O GLU 13 26.930 29.599 10.243 1.00 0.00 ATOM 88 C GLU 13 27.141 28.403 10.443 1.00 0.00 ATOM 89 N VAL 14 26.913 27.818 11.615 1.00 0.00 ATOM 90 CA VAL 14 26.389 28.571 12.748 1.00 0.00 ATOM 91 CB VAL 14 25.056 28.025 13.283 1.00 0.00 ATOM 92 CG1 VAL 14 24.551 28.913 14.414 1.00 0.00 ATOM 93 CG2 VAL 14 23.990 28.007 12.184 1.00 0.00 ATOM 94 O VAL 14 27.519 27.756 14.706 1.00 0.00 ATOM 95 C VAL 14 27.444 28.651 13.857 1.00 0.00 ATOM 96 N ASN 15 28.020 29.836 13.985 1.00 0.00 ATOM 97 CA ASN 15 28.904 30.108 15.143 1.00 0.00 ATOM 98 CB ASN 15 29.687 31.410 14.993 1.00 0.00 ATOM 99 CG ASN 15 30.761 31.315 13.919 1.00 0.00 ATOM 100 ND2 ASN 15 31.196 32.481 13.508 1.00 0.00 ATOM 101 OD1 ASN 15 31.194 30.274 13.440 1.00 0.00 ATOM 102 O ASN 15 26.881 30.414 16.395 1.00 0.00 ATOM 103 C ASN 15 28.095 30.217 16.432 1.00 0.00 ATOM 104 N LEU 16 28.771 30.089 17.569 1.00 0.00 ATOM 105 CA LEU 16 28.101 30.179 18.853 1.00 0.00 ATOM 106 CB LEU 16 29.108 30.037 19.992 1.00 0.00 ATOM 107 CG LEU 16 29.858 28.709 20.100 1.00 0.00 ATOM 108 CD1 LEU 16 30.634 28.660 21.402 1.00 0.00 ATOM 109 CD2 LEU 16 28.980 27.466 19.983 1.00 0.00 ATOM 110 O LEU 16 26.290 31.526 19.665 1.00 0.00 ATOM 111 C LEU 16 27.335 31.487 19.013 1.00 0.00 ATOM 112 N ASP 17 27.852 32.556 18.416 1.00 0.00 ATOM 113 CA ASP 17 27.195 33.885 18.498 1.00 0.00 ATOM 114 CB ASP 17 27.874 34.874 17.581 1.00 0.00 ATOM 115 CG ASP 17 29.219 35.332 18.120 1.00 0.00 ATOM 116 OD1 ASP 17 29.518 35.070 19.301 1.00 0.00 ATOM 117 OD2 ASP 17 29.979 35.971 17.362 1.00 0.00 ATOM 118 O ASP 17 24.886 34.555 18.419 1.00 0.00 ATOM 119 C ASP 17 25.782 33.886 17.903 1.00 0.00 ATOM 120 N GLU 18 25.589 33.138 16.821 1.00 0.00 ATOM 121 CA GLU 18 24.284 33.064 16.175 1.00 0.00 ATOM 122 CB GLU 18 24.254 32.323 14.839 1.00 0.00 ATOM 123 CG GLU 18 24.979 33.079 13.726 1.00 0.00 ATOM 124 CD GLU 18 24.503 34.538 13.590 1.00 0.00 ATOM 125 OE1 GLU 18 23.279 34.731 13.485 1.00 0.00 ATOM 126 OE2 GLU 18 25.395 35.405 13.485 1.00 0.00 ATOM 127 O GLU 18 22.294 32.974 17.547 1.00 0.00 ATOM 128 C GLU 18 23.310 32.403 17.157 1.00 0.00 ATOM 129 N LEU 19 23.815 31.361 17.800 1.00 0.00 ATOM 130 CA LEU 19 23.021 30.639 18.802 1.00 0.00 ATOM 131 CB LEU 19 23.657 29.278 19.027 1.00 0.00 ATOM 132 CG LEU 19 23.883 28.417 17.773 1.00 0.00 ATOM 133 CD1 LEU 19 24.513 27.077 18.123 1.00 0.00 ATOM 134 CD2 LEU 19 22.567 28.184 17.035 1.00 0.00 ATOM 135 O LEU 19 21.671 31.365 20.670 1.00 0.00 ATOM 136 C LEU 19 22.742 31.465 20.087 1.00 0.00 ATOM 137 N ALA 20 23.676 32.349 20.472 1.00 0.00 ATOM 138 CA ALA 20 23.511 33.285 21.606 1.00 0.00 ATOM 139 CB ALA 20 24.775 34.119 21.822 1.00 0.00 ATOM 140 O ALA 20 21.502 34.443 22.213 1.00 0.00 ATOM 141 C ALA 20 22.360 34.255 21.353 1.00 0.00 ATOM 142 N GLN 21 22.336 34.882 20.182 1.00 0.00 ATOM 143 CA GLN 21 21.293 35.840 19.838 1.00 0.00 ATOM 144 CB GLN 21 21.805 36.603 18.623 1.00 0.00 ATOM 145 CG GLN 21 21.011 37.881 18.323 1.00 0.00 ATOM 146 CD GLN 21 21.034 38.876 19.480 1.00 0.00 ATOM 147 OE1 GLN 21 22.053 39.413 19.891 1.00 0.00 ATOM 148 NE2 GLN 21 19.872 39.183 19.990 1.00 0.00 ATOM 149 O GLN 21 18.956 35.941 19.411 1.00 0.00 ATOM 150 C GLN 21 19.909 35.204 19.611 1.00 0.00 ATOM 151 N GLU 22 19.834 33.876 19.559 1.00 0.00 ATOM 152 CA GLU 22 18.577 33.101 19.468 1.00 0.00 ATOM 153 CB GLU 22 18.746 31.840 18.603 1.00 0.00 ATOM 154 CG GLU 22 18.816 32.117 17.099 1.00 0.00 ATOM 155 CD GLU 22 17.537 32.797 16.579 1.00 0.00 ATOM 156 OE1 GLU 22 16.429 32.402 16.998 1.00 0.00 ATOM 157 OE2 GLU 22 17.670 33.859 15.949 1.00 0.00 ATOM 158 O GLU 22 16.897 32.637 21.117 1.00 0.00 ATOM 159 C GLU 22 18.095 32.617 20.832 1.00 0.00 ATOM 160 N LEU 23 19.029 32.184 21.672 1.00 0.00 ATOM 161 CA LEU 23 18.683 31.697 23.014 1.00 0.00 ATOM 162 CB LEU 23 19.885 30.930 23.570 1.00 0.00 ATOM 163 CG LEU 23 20.132 29.589 22.890 1.00 0.00 ATOM 164 CD1 LEU 23 21.462 29.044 23.392 1.00 0.00 ATOM 165 CD2 LEU 23 18.979 28.637 23.221 1.00 0.00 ATOM 166 O LEU 23 17.578 32.602 24.945 1.00 0.00 ATOM 167 C LEU 23 18.381 32.783 24.041 1.00 0.00 ATOM 168 N GLY 24 19.170 33.852 23.998 1.00 0.00 ATOM 169 CA GLY 24 18.926 35.041 24.843 1.00 0.00 ATOM 170 O GLY 24 16.840 35.826 25.669 1.00 0.00 ATOM 171 C GLY 24 17.497 35.588 24.654 1.00 0.00 ATOM 172 N PRO 25 16.975 35.696 23.418 1.00 0.00 ATOM 173 CA PRO 25 15.613 36.238 23.177 1.00 0.00 ATOM 174 CB PRO 25 15.382 36.118 21.681 1.00 0.00 ATOM 175 CG PRO 25 16.781 36.298 21.128 1.00 0.00 ATOM 176 CD PRO 25 17.667 35.572 22.131 1.00 0.00 ATOM 177 O PRO 25 13.446 35.998 24.156 1.00 0.00 ATOM 178 C PRO 25 14.513 35.451 23.893 1.00 0.00 ATOM 179 N ILE 26 14.788 34.200 24.197 1.00 0.00 ATOM 180 CA ILE 26 13.775 33.375 24.863 1.00 0.00 ATOM 181 CB ILE 26 13.713 31.987 24.239 1.00 0.00 ATOM 182 CG1 ILE 26 15.009 31.237 24.508 1.00 0.00 ATOM 183 CG2 ILE 26 13.430 32.139 22.732 1.00 0.00 ATOM 184 CD1 ILE 26 14.912 29.829 24.000 1.00 0.00 ATOM 185 O ILE 26 13.063 32.852 27.076 1.00 0.00 ATOM 186 C ILE 26 13.940 33.351 26.392 1.00 0.00 ATOM 187 N MET 27 15.040 33.894 26.898 1.00 0.00 ATOM 188 CA MET 27 15.245 34.010 28.358 1.00 0.00 ATOM 189 CB MET 27 16.694 34.407 28.622 1.00 0.00 ATOM 190 CG MET 27 17.078 34.219 30.088 1.00 0.00 ATOM 191 SD MET 27 18.784 34.762 30.453 1.00 0.00 ATOM 192 CE MET 27 18.582 36.528 30.368 1.00 0.00 ATOM 193 O MET 27 14.009 36.071 28.269 1.00 0.00 ATOM 194 C MET 27 14.269 35.057 28.926 1.00 0.00 ATOM 195 N GLY 28 13.753 34.781 30.115 1.00 0.00 ATOM 196 CA GLY 28 12.699 35.631 30.715 1.00 0.00 ATOM 197 O GLY 28 13.831 37.202 32.134 1.00 0.00 ATOM 198 C GLY 28 12.796 36.560 31.913 1.00 0.00 ATOM 199 N ASP 29 11.698 36.635 32.719 1.00 0.00 ATOM 200 CA ASP 29 11.659 37.494 33.907 1.00 0.00 ATOM 201 CB ASP 29 10.281 37.265 34.537 1.00 0.00 ATOM 202 CG ASP 29 10.170 37.813 35.970 1.00 0.00 ATOM 203 OD1 ASP 29 10.776 38.874 36.243 1.00 0.00 ATOM 204 OD2 ASP 29 9.499 37.142 36.785 1.00 0.00 ATOM 205 O ASP 29 12.623 36.233 35.720 1.00 0.00 ATOM 206 C ASP 29 12.724 37.206 34.981 1.00 0.00 ATOM 207 N ASN 30 13.770 38.023 34.954 1.00 0.00 ATOM 208 CA ASN 30 14.984 37.839 35.782 1.00 0.00 ATOM 209 CB ASN 30 14.721 38.010 37.280 1.00 0.00 ATOM 210 CG ASN 30 16.062 38.310 37.937 1.00 0.00 ATOM 211 ND2 ASN 30 16.318 37.567 38.984 1.00 0.00 ATOM 212 OD1 ASN 30 16.902 39.087 37.499 1.00 0.00 ATOM 213 O ASN 30 16.616 36.154 36.289 1.00 0.00 ATOM 214 C ASN 30 15.683 36.502 35.563 1.00 0.00 ATOM 215 N GLU 31 15.233 35.753 34.560 1.00 0.00 ATOM 216 CA GLU 31 15.830 34.451 34.256 1.00 0.00 ATOM 217 CB GLU 31 15.020 33.706 33.208 1.00 0.00 ATOM 218 CG GLU 31 13.762 33.044 33.777 1.00 0.00 ATOM 219 CD GLU 31 13.115 32.158 32.709 1.00 0.00 ATOM 220 OE1 GLU 31 13.828 31.391 32.049 1.00 0.00 ATOM 221 OE2 GLU 31 11.882 32.215 32.587 1.00 0.00 ATOM 222 O GLU 31 17.470 35.683 33.011 1.00 0.00 ATOM 223 C GLU 31 17.251 34.760 33.797 1.00 0.00 ATOM 224 N GLN 32 18.215 33.988 34.288 1.00 0.00 ATOM 225 CA GLN 32 19.597 34.193 33.917 1.00 0.00 ATOM 226 CB GLN 32 20.287 34.612 35.210 1.00 0.00 ATOM 227 CG GLN 32 19.788 35.942 35.740 1.00 0.00 ATOM 228 CD GLN 32 20.513 36.303 37.028 1.00 0.00 ATOM 229 OE1 GLN 32 21.357 35.628 37.597 1.00 0.00 ATOM 230 NE2 GLN 32 20.073 37.396 37.592 1.00 0.00 ATOM 231 O GLN 32 20.227 31.879 33.967 1.00 0.00 ATOM 232 C GLN 32 20.342 32.967 33.402 1.00 0.00 ATOM 233 N LEU 33 21.108 33.145 32.330 1.00 0.00 ATOM 234 CA LEU 33 21.877 32.034 31.744 1.00 0.00 ATOM 235 CB LEU 33 22.314 32.393 30.313 1.00 0.00 ATOM 236 CG LEU 33 23.261 31.369 29.678 1.00 0.00 ATOM 237 CD1 LEU 33 22.723 29.936 29.768 1.00 0.00 ATOM 238 CD2 LEU 33 23.454 31.749 28.215 1.00 0.00 ATOM 239 O LEU 33 24.099 32.481 32.529 1.00 0.00 ATOM 240 C LEU 33 23.140 31.707 32.531 1.00 0.00 ATOM 241 N ALA 34 23.141 30.559 33.202 1.00 0.00 ATOM 242 CA ALA 34 24.298 30.143 33.986 1.00 0.00 ATOM 243 CB ALA 34 23.758 29.546 35.336 1.00 0.00 ATOM 244 O ALA 34 26.458 29.176 33.509 1.00 0.00 ATOM 245 C ALA 34 25.270 29.244 33.189 1.00 0.00 ATOM 246 N LEU 35 24.759 28.570 32.164 1.00 0.00 ATOM 247 CA LEU 35 25.590 27.696 31.344 1.00 0.00 ATOM 248 CB LEU 35 26.381 26.521 31.915 1.00 0.00 ATOM 249 CG LEU 35 27.867 26.928 31.978 1.00 0.00 ATOM 250 CD1 LEU 35 28.719 25.829 32.602 1.00 0.00 ATOM 251 CD2 LEU 35 28.446 27.291 30.596 1.00 0.00 ATOM 252 O LEU 35 23.732 27.057 30.036 1.00 0.00 ATOM 253 C LEU 35 24.905 27.434 30.068 1.00 0.00 ATOM 254 N ALA 36 25.629 27.630 28.972 1.00 0.00 ATOM 255 CA ALA 36 25.068 27.405 27.645 1.00 0.00 ATOM 256 CB ALA 36 24.755 28.718 26.938 1.00 0.00 ATOM 257 O ALA 36 27.218 26.724 26.804 1.00 0.00 ATOM 258 C ALA 36 26.005 26.538 26.825 1.00 0.00 ATOM 259 N TYR 37 25.341 25.609 26.166 1.00 0.00 ATOM 260 CA TYR 37 26.018 24.821 25.154 1.00 0.00 ATOM 261 CB TYR 37 26.622 23.476 25.496 1.00 0.00 ATOM 262 CG TYR 37 28.127 23.729 25.638 1.00 0.00 ATOM 263 CD1 TYR 37 28.778 24.829 25.075 1.00 0.00 ATOM 264 CD2 TYR 37 28.852 22.783 26.327 1.00 0.00 ATOM 265 CE1 TYR 37 30.141 25.003 25.212 1.00 0.00 ATOM 266 CE2 TYR 37 30.219 22.959 26.448 1.00 0.00 ATOM 267 CZ TYR 37 30.856 24.048 25.898 1.00 0.00 ATOM 268 OH TYR 37 32.197 24.114 25.903 1.00 0.00 ATOM 269 O TYR 37 24.148 24.582 23.750 1.00 0.00 ATOM 270 C TYR 37 25.344 24.771 23.819 1.00 0.00 ATOM 271 N ARG 38 26.175 25.193 22.875 1.00 0.00 ATOM 272 CA ARG 38 25.661 25.474 21.536 1.00 0.00 ATOM 273 CB ARG 38 25.822 26.961 21.225 1.00 0.00 ATOM 274 CG ARG 38 25.010 27.878 22.127 1.00 0.00 ATOM 275 CD ARG 38 25.202 29.333 21.695 1.00 0.00 ATOM 276 NE ARG 38 26.609 29.728 21.766 1.00 0.00 ATOM 277 CZ ARG 38 27.186 30.068 22.904 1.00 0.00 ATOM 278 NH1 ARG 38 26.443 30.175 23.974 1.00 0.00 ATOM 279 NH2 ARG 38 28.477 30.308 22.986 1.00 0.00 ATOM 280 O ARG 38 27.491 24.470 20.342 1.00 0.00 ATOM 281 C ARG 38 26.271 24.539 20.496 1.00 0.00 ATOM 282 N VAL 39 25.427 23.907 19.782 1.00 0.00 ATOM 283 CA VAL 39 25.889 22.956 18.787 1.00 0.00 ATOM 284 CB VAL 39 25.551 21.485 19.061 1.00 0.00 ATOM 285 CG1 VAL 39 26.401 20.985 20.208 1.00 0.00 ATOM 286 CG2 VAL 39 24.076 21.205 19.323 1.00 0.00 ATOM 287 O VAL 39 23.975 23.781 17.598 1.00 0.00 ATOM 288 C VAL 39 25.049 23.180 17.534 1.00 0.00 ATOM 289 N ILE 40 25.538 22.696 16.397 1.00 0.00 ATOM 290 CA ILE 40 24.806 22.849 15.096 1.00 0.00 ATOM 291 CB ILE 40 24.626 21.257 14.609 1.00 0.00 ATOM 292 CG1 ILE 40 25.617 20.252 15.168 1.00 0.00 ATOM 293 CG2 ILE 40 24.228 20.976 13.152 1.00 0.00 ATOM 294 CD1 ILE 40 24.816 19.045 15.593 1.00 0.00 ATOM 295 O ILE 40 22.697 23.682 14.319 1.00 0.00 ATOM 296 C ILE 40 23.290 22.843 14.999 1.00 0.00 ATOM 297 N ARG 41 22.668 21.906 15.701 1.00 0.00 ATOM 298 CA ARG 41 21.216 21.780 15.664 1.00 0.00 ATOM 299 CB ARG 41 21.032 20.270 15.524 1.00 0.00 ATOM 300 CG ARG 41 21.432 19.749 14.147 1.00 0.00 ATOM 301 CD ARG 41 21.179 18.270 14.121 1.00 0.00 ATOM 302 NE ARG 41 19.745 18.068 13.921 1.00 0.00 ATOM 303 CZ ARG 41 19.212 16.881 13.691 1.00 0.00 ATOM 304 NH1 ARG 41 17.893 16.759 13.661 1.00 0.00 ATOM 305 NH2 ARG 41 19.996 15.830 13.443 1.00 0.00 ATOM 306 O ARG 41 19.298 22.475 16.894 1.00 0.00 ATOM 307 C ARG 41 20.476 22.185 16.926 1.00 0.00 ATOM 308 N ASP 42 21.147 22.125 18.055 1.00 0.00 ATOM 309 CA ASP 42 20.481 22.386 19.337 1.00 0.00 ATOM 310 CB ASP 42 20.432 21.143 20.225 1.00 0.00 ATOM 311 CG ASP 42 19.624 20.011 19.611 1.00 0.00 ATOM 312 OD1 ASP 42 18.431 20.264 19.377 1.00 0.00 ATOM 313 OD2 ASP 42 20.250 18.991 19.278 1.00 0.00 ATOM 314 O ASP 42 22.384 23.684 20.024 1.00 0.00 ATOM 315 C ASP 42 21.172 23.448 20.158 1.00 0.00 ATOM 316 N MET 43 20.346 24.111 20.915 1.00 0.00 ATOM 317 CA MET 43 20.882 24.997 21.934 1.00 0.00 ATOM 318 CB MET 43 20.463 26.371 21.463 1.00 0.00 ATOM 319 CG MET 43 21.061 26.820 20.135 1.00 0.00 ATOM 320 SD MET 43 20.483 28.487 19.684 1.00 0.00 ATOM 321 CE MET 43 18.884 28.128 19.038 1.00 0.00 ATOM 322 O MET 43 19.158 24.750 23.584 1.00 0.00 ATOM 323 C MET 43 20.362 24.683 23.332 1.00 0.00 ATOM 324 N PHE 44 21.271 24.342 24.241 1.00 0.00 ATOM 325 CA PHE 44 20.887 24.019 25.633 1.00 0.00 ATOM 326 CB PHE 44 21.600 22.758 26.137 1.00 0.00 ATOM 327 CG PHE 44 21.148 21.495 25.405 1.00 0.00 ATOM 328 CD1 PHE 44 21.705 21.188 24.176 1.00 0.00 ATOM 329 CD2 PHE 44 20.187 20.646 25.943 1.00 0.00 ATOM 330 CE1 PHE 44 21.308 20.053 23.488 1.00 0.00 ATOM 331 CE2 PHE 44 19.796 19.504 25.261 1.00 0.00 ATOM 332 CZ PHE 44 20.348 19.203 24.026 1.00 0.00 ATOM 333 O PHE 44 22.427 25.525 26.702 1.00 0.00 ATOM 334 C PHE 44 21.251 25.198 26.544 1.00 0.00 ATOM 335 N VAL 45 20.241 25.828 27.137 1.00 0.00 ATOM 336 CA VAL 45 20.474 26.960 28.026 1.00 0.00 ATOM 337 CB VAL 45 19.702 28.201 27.529 1.00 0.00 ATOM 338 CG1 VAL 45 19.862 29.448 28.390 1.00 0.00 ATOM 339 CG2 VAL 45 20.253 28.589 26.179 1.00 0.00 ATOM 340 O VAL 45 18.841 26.361 29.666 1.00 0.00 ATOM 341 C VAL 45 20.022 26.619 29.430 1.00 0.00 ATOM 342 N PHE 46 20.963 26.617 30.369 1.00 0.00 ATOM 343 CA PHE 46 20.644 26.305 31.757 1.00 0.00 ATOM 344 CB PHE 46 21.767 25.424 32.320 1.00 0.00 ATOM 345 CG PHE 46 21.859 24.058 31.626 1.00 0.00 ATOM 346 CD1 PHE 46 22.617 23.904 30.477 1.00 0.00 ATOM 347 CD2 PHE 46 21.220 22.965 32.173 1.00 0.00 ATOM 348 CE1 PHE 46 22.740 22.650 29.881 1.00 0.00 ATOM 349 CE2 PHE 46 21.351 21.697 31.589 1.00 0.00 ATOM 350 CZ PHE 46 22.118 21.545 30.435 1.00 0.00 ATOM 351 O PHE 46 21.521 28.403 32.555 1.00 0.00 ATOM 352 C PHE 46 20.572 27.619 32.545 1.00 0.00 ATOM 353 N THR 47 19.371 27.902 33.049 1.00 0.00 ATOM 354 CA THR 47 19.129 29.116 33.831 1.00 0.00 ATOM 355 CB THR 47 17.903 29.903 33.319 1.00 0.00 ATOM 356 CG2 THR 47 18.033 30.265 31.829 1.00 0.00 ATOM 357 OG1 THR 47 16.683 29.216 33.602 1.00 0.00 ATOM 358 O THR 47 18.915 27.581 35.683 1.00 0.00 ATOM 359 C THR 47 18.943 28.749 35.309 1.00 0.00 ATOM 360 N ASN 48 18.715 29.770 36.125 1.00 0.00 ATOM 361 CA ASN 48 18.407 29.570 37.560 1.00 0.00 ATOM 362 CB ASN 48 18.414 30.894 38.305 1.00 0.00 ATOM 363 CG ASN 48 19.812 31.443 38.497 1.00 0.00 ATOM 364 ND2 ASN 48 19.871 32.729 38.740 1.00 0.00 ATOM 365 OD1 ASN 48 20.835 30.795 38.405 1.00 0.00 ATOM 366 O ASN 48 16.769 28.307 38.791 1.00 0.00 ATOM 367 C ASN 48 17.018 28.952 37.771 1.00 0.00 ATOM 368 N LYS 49 16.124 29.150 36.807 1.00 0.00 ATOM 369 CA LYS 49 14.775 28.605 36.903 1.00 0.00 ATOM 370 CB LYS 49 13.775 29.688 36.491 1.00 0.00 ATOM 371 CG LYS 49 13.824 30.947 37.370 1.00 0.00 ATOM 372 CD LYS 49 13.435 30.647 38.816 1.00 0.00 ATOM 373 CE LYS 49 13.343 31.946 39.625 1.00 0.00 ATOM 374 NZ LYS 49 13.048 31.658 41.036 1.00 0.00 ATOM 375 O LYS 49 13.443 26.707 36.312 1.00 0.00 ATOM 376 C LYS 49 14.460 27.368 36.055 1.00 0.00 ATOM 377 N ARG 50 15.187 27.175 34.956 1.00 0.00 ATOM 378 CA ARG 50 14.802 26.164 33.948 1.00 0.00 ATOM 379 CB ARG 50 13.575 26.649 33.157 1.00 0.00 ATOM 380 CG ARG 50 13.888 27.873 32.296 1.00 0.00 ATOM 381 CD ARG 50 12.609 28.453 31.709 1.00 0.00 ATOM 382 NE ARG 50 11.828 29.067 32.788 1.00 0.00 ATOM 383 CZ ARG 50 10.629 29.592 32.625 1.00 0.00 ATOM 384 NH1 ARG 50 10.023 30.156 33.644 1.00 0.00 ATOM 385 NH2 ARG 50 9.987 29.533 31.472 1.00 0.00 ATOM 386 O ARG 50 17.042 26.269 33.025 1.00 0.00 ATOM 387 C ARG 50 15.928 25.728 33.005 1.00 0.00 ATOM 388 N LEU 51 15.573 24.749 32.171 1.00 0.00 ATOM 389 CA LEU 51 16.344 24.422 30.964 1.00 0.00 ATOM 390 CB LEU 51 16.671 22.931 30.916 1.00 0.00 ATOM 391 CG LEU 51 17.273 22.396 29.611 1.00 0.00 ATOM 392 CD1 LEU 51 18.714 22.866 29.490 1.00 0.00 ATOM 393 CD2 LEU 51 17.207 20.877 29.552 1.00 0.00 ATOM 394 O LEU 51 14.477 24.290 29.470 1.00 0.00 ATOM 395 C LEU 51 15.558 24.822 29.724 1.00 0.00 ATOM 396 N ILE 52 16.071 25.802 29.028 1.00 0.00 ATOM 397 CA ILE 52 15.417 26.303 27.827 1.00 0.00 ATOM 398 CB ILE 52 15.523 27.842 27.812 1.00 0.00 ATOM 399 CG1 ILE 52 14.809 28.502 28.990 1.00 0.00 ATOM 400 CG2 ILE 52 14.743 28.301 26.615 1.00 0.00 ATOM 401 CD1 ILE 52 15.052 30.023 29.117 1.00 0.00 ATOM 402 O ILE 52 17.408 25.783 26.588 1.00 0.00 ATOM 403 C ILE 52 16.192 25.640 26.684 1.00 0.00 ATOM 404 N LEU 53 15.472 24.923 25.834 1.00 0.00 ATOM 405 CA LEU 53 16.072 24.124 24.752 1.00 0.00 ATOM 406 CB LEU 53 15.992 22.628 25.071 1.00 0.00 ATOM 407 CG LEU 53 16.420 21.723 23.901 1.00 0.00 ATOM 408 CD1 LEU 53 17.919 21.835 23.619 1.00 0.00 ATOM 409 CD2 LEU 53 16.050 20.267 24.144 1.00 0.00 ATOM 410 O LEU 53 14.216 24.272 23.228 1.00 0.00 ATOM 411 C LEU 53 15.422 24.402 23.399 1.00 0.00 ATOM 412 N ILE 54 16.210 24.905 22.482 1.00 0.00 ATOM 413 CA ILE 54 15.713 25.181 21.115 1.00 0.00 ATOM 414 CB ILE 54 16.219 26.547 20.630 1.00 0.00 ATOM 415 CG1 ILE 54 15.808 27.684 21.563 1.00 0.00 ATOM 416 CG2 ILE 54 15.651 26.851 19.248 1.00 0.00 ATOM 417 CD1 ILE 54 16.274 29.081 21.126 1.00 0.00 ATOM 418 O ILE 54 17.399 23.929 19.980 1.00 0.00 ATOM 419 C ILE 54 16.208 24.016 20.255 1.00 0.00 ATOM 420 N ASP 55 15.295 23.094 19.958 1.00 0.00 ATOM 421 CA ASP 55 15.678 21.815 19.332 1.00 0.00 ATOM 422 CB ASP 55 14.897 20.643 19.960 1.00 0.00 ATOM 423 CG ASP 55 15.220 19.253 19.390 1.00 0.00 ATOM 424 OD1 ASP 55 15.803 19.147 18.293 1.00 0.00 ATOM 425 OD2 ASP 55 14.747 18.273 20.003 1.00 0.00 ATOM 426 O ASP 55 14.275 21.643 17.392 1.00 0.00 ATOM 427 C ASP 55 15.423 21.723 17.831 1.00 0.00 ATOM 428 N LYS 56 16.495 21.736 17.045 1.00 0.00 ATOM 429 CA LYS 56 16.379 21.649 15.548 1.00 0.00 ATOM 430 CB LYS 56 17.642 21.226 14.829 1.00 0.00 ATOM 431 CG LYS 56 17.664 21.661 13.373 1.00 0.00 ATOM 432 CD LYS 56 18.952 21.095 12.793 1.00 0.00 ATOM 433 CE LYS 56 19.328 21.612 11.423 1.00 0.00 ATOM 434 NZ LYS 56 20.628 21.240 10.895 1.00 0.00 ATOM 435 O LYS 56 14.583 20.827 14.178 1.00 0.00 ATOM 436 C LYS 56 15.412 20.570 15.053 1.00 0.00 ATOM 437 N GLN 57 15.520 19.369 15.614 1.00 0.00 ATOM 438 CA GLN 57 14.647 18.270 15.219 1.00 0.00 ATOM 439 CB GLN 57 15.102 17.010 15.953 1.00 0.00 ATOM 440 CG GLN 57 14.291 15.789 15.515 1.00 0.00 ATOM 441 CD GLN 57 14.872 14.484 16.050 1.00 0.00 ATOM 442 OE1 GLN 57 16.007 14.368 16.489 1.00 0.00 ATOM 443 NE2 GLN 57 14.066 13.462 16.046 1.00 0.00 ATOM 444 O GLN 57 12.783 18.760 16.693 1.00 0.00 ATOM 445 C GLN 57 13.177 18.574 15.546 1.00 0.00 ATOM 446 N GLY 58 12.419 18.710 14.459 1.00 0.00 ATOM 447 CA GLY 58 10.975 18.960 14.510 1.00 0.00 ATOM 448 O GLY 58 9.356 20.640 15.072 1.00 0.00 ATOM 449 C GLY 58 10.536 20.387 14.823 1.00 0.00 ATOM 450 N VAL 59 11.485 21.317 14.808 1.00 0.00 ATOM 451 CA VAL 59 11.180 22.746 15.093 1.00 0.00 ATOM 452 CB VAL 59 12.207 23.668 15.719 1.00 0.00 ATOM 453 CG1 VAL 59 12.113 23.607 17.241 1.00 0.00 ATOM 454 CG2 VAL 59 13.558 23.450 15.037 1.00 0.00 ATOM 455 O VAL 59 11.265 22.671 12.697 1.00 0.00 ATOM 456 C VAL 59 10.958 23.320 13.698 1.00 0.00 ATOM 457 N THR 60 10.427 24.536 13.634 1.00 0.00 ATOM 458 CA THR 60 10.174 25.183 12.354 1.00 0.00 ATOM 459 CB THR 60 9.648 26.613 12.573 1.00 0.00 ATOM 460 CG2 THR 60 9.545 27.449 11.302 1.00 0.00 ATOM 461 OG1 THR 60 8.340 26.476 13.123 1.00 0.00 ATOM 462 O THR 60 12.444 25.366 11.599 1.00 0.00 ATOM 463 C THR 60 11.294 25.013 11.333 1.00 0.00 ATOM 464 N GLY 61 10.957 24.474 10.166 1.00 0.00 ATOM 465 CA GLY 61 11.958 24.262 9.097 1.00 0.00 ATOM 466 O GLY 61 13.884 25.551 8.461 1.00 0.00 ATOM 467 C GLY 61 12.665 25.541 8.640 1.00 0.00 ATOM 468 N LYS 62 11.900 26.611 8.454 1.00 0.00 ATOM 469 CA LYS 62 12.469 27.881 8.022 1.00 0.00 ATOM 470 CB LYS 62 11.366 28.889 7.704 1.00 0.00 ATOM 471 CG LYS 62 10.588 28.495 6.451 1.00 0.00 ATOM 472 CD LYS 62 9.494 29.538 6.196 1.00 0.00 ATOM 473 CE LYS 62 8.672 29.287 4.931 1.00 0.00 ATOM 474 NZ LYS 62 9.515 29.186 3.729 1.00 0.00 ATOM 475 O LYS 62 14.460 28.963 8.814 1.00 0.00 ATOM 476 C LYS 62 13.380 28.446 9.107 1.00 0.00 ATOM 477 N LYS 63 12.946 28.346 10.359 1.00 0.00 ATOM 478 CA LYS 63 13.749 28.859 11.510 1.00 0.00 ATOM 479 CB LYS 63 13.332 30.294 11.855 1.00 0.00 ATOM 480 CG LYS 63 13.465 31.260 10.680 1.00 0.00 ATOM 481 CD LYS 63 12.968 32.677 10.961 1.00 0.00 ATOM 482 CE LYS 63 11.513 32.710 11.380 1.00 0.00 ATOM 483 NZ LYS 63 11.109 34.076 11.754 1.00 0.00 ATOM 484 O LYS 63 12.318 27.738 13.097 1.00 0.00 ATOM 485 C LYS 63 13.474 28.009 12.769 1.00 0.00 ATOM 486 N VAL 64 14.531 27.637 13.484 1.00 0.00 ATOM 487 CA VAL 64 14.383 26.836 14.692 1.00 0.00 ATOM 488 CB VAL 64 15.772 26.275 15.069 1.00 0.00 ATOM 489 CG1 VAL 64 16.852 27.317 15.357 1.00 0.00 ATOM 490 CG2 VAL 64 15.749 25.362 16.285 1.00 0.00 ATOM 491 O VAL 64 14.240 28.652 16.302 1.00 0.00 ATOM 492 C VAL 64 13.726 27.612 15.887 1.00 0.00 ATOM 493 N SER 65 12.619 27.096 16.410 1.00 0.00 ATOM 494 CA SER 65 11.936 27.745 17.524 1.00 0.00 ATOM 495 CB SER 65 10.429 27.847 17.260 1.00 0.00 ATOM 496 OG SER 65 9.920 28.914 18.070 1.00 0.00 ATOM 497 O SER 65 13.032 25.980 18.744 1.00 0.00 ATOM 498 C SER 65 12.213 26.900 18.787 1.00 0.00 ATOM 499 N TYR 66 11.428 27.076 19.827 1.00 0.00 ATOM 500 CA TYR 66 11.816 26.461 21.109 1.00 0.00 ATOM 501 CB TYR 66 12.474 27.580 21.891 1.00 0.00 ATOM 502 CG TYR 66 11.529 28.620 22.447 1.00 0.00 ATOM 503 CD1 TYR 66 10.872 28.438 23.642 1.00 0.00 ATOM 504 CD2 TYR 66 11.290 29.735 21.691 1.00 0.00 ATOM 505 CE1 TYR 66 9.954 29.380 24.060 1.00 0.00 ATOM 506 CE2 TYR 66 10.395 30.696 22.144 1.00 0.00 ATOM 507 CZ TYR 66 9.726 30.525 23.344 1.00 0.00 ATOM 508 OH TYR 66 8.992 31.532 23.878 1.00 0.00 ATOM 509 O TYR 66 9.750 25.434 21.805 1.00 0.00 ATOM 510 C TYR 66 10.958 25.588 22.009 1.00 0.00 ATOM 511 N HIS 67 11.748 24.956 23.068 1.00 0.00 ATOM 512 CA HIS 67 11.108 24.127 24.079 1.00 0.00 ATOM 513 CB HIS 67 11.679 22.704 24.030 1.00 0.00 ATOM 514 CG HIS 67 11.127 21.883 22.874 1.00 0.00 ATOM 515 CD2 HIS 67 11.768 21.560 21.753 1.00 0.00 ATOM 516 ND1 HIS 67 9.933 21.284 22.860 1.00 0.00 ATOM 517 CE1 HIS 67 9.840 20.591 21.739 1.00 0.00 ATOM 518 NE2 HIS 67 10.966 20.754 21.065 1.00 0.00 ATOM 519 O HIS 67 12.645 25.240 25.548 1.00 0.00 ATOM 520 C HIS 67 11.538 24.715 25.419 1.00 0.00 ATOM 521 N SER 68 10.662 24.625 26.415 1.00 0.00 ATOM 522 CA SER 68 10.969 25.152 27.746 1.00 0.00 ATOM 523 CB SER 68 10.405 26.543 27.970 1.00 0.00 ATOM 524 OG SER 68 10.505 27.032 29.309 1.00 0.00 ATOM 525 O SER 68 9.386 23.705 28.797 1.00 0.00 ATOM 526 C SER 68 10.545 24.123 28.766 1.00 0.00 ATOM 527 N VAL 69 11.484 23.707 29.609 1.00 0.00 ATOM 528 CA VAL 69 11.189 22.717 30.640 1.00 0.00 ATOM 529 CB VAL 69 11.649 21.297 30.252 1.00 0.00 ATOM 530 CG1 VAL 69 10.895 20.274 31.097 1.00 0.00 ATOM 531 CG2 VAL 69 11.451 20.936 28.779 1.00 0.00 ATOM 532 O VAL 69 12.798 23.550 32.237 1.00 0.00 ATOM 533 C VAL 69 11.626 23.287 32.001 1.00 0.00 ATOM 534 N PRO 70 10.643 23.796 32.768 1.00 0.00 ATOM 535 CA PRO 70 10.932 24.304 34.122 1.00 0.00 ATOM 536 CB PRO 70 9.569 24.628 34.750 1.00 0.00 ATOM 537 CG PRO 70 8.654 24.846 33.556 1.00 0.00 ATOM 538 CD PRO 70 9.217 23.955 32.441 1.00 0.00 ATOM 539 O PRO 70 11.452 22.018 34.638 1.00 0.00 ATOM 540 C PRO 70 11.623 23.202 34.930 1.00 0.00 ATOM 541 N TYR 71 12.500 23.550 35.824 1.00 0.00 ATOM 542 CA TYR 71 13.249 22.581 36.614 1.00 0.00 ATOM 543 CB TYR 71 14.499 23.791 37.181 1.00 0.00 ATOM 544 CG TYR 71 14.139 24.039 38.635 1.00 0.00 ATOM 545 CD1 TYR 71 15.088 23.844 39.641 1.00 0.00 ATOM 546 CD2 TYR 71 12.879 24.515 39.002 1.00 0.00 ATOM 547 CE1 TYR 71 14.794 24.124 40.974 1.00 0.00 ATOM 548 CE2 TYR 71 12.573 24.795 40.334 1.00 0.00 ATOM 549 CZ TYR 71 13.537 24.597 41.310 1.00 0.00 ATOM 550 OH TYR 71 13.245 24.867 42.628 1.00 0.00 ATOM 551 O TYR 71 13.163 21.224 38.580 1.00 0.00 ATOM 552 C TYR 71 12.519 21.813 37.706 1.00 0.00 ATOM 553 N LYS 72 11.187 21.738 37.640 1.00 0.00 ATOM 554 CA LYS 72 10.431 20.986 38.627 1.00 0.00 ATOM 555 CB LYS 72 8.965 21.040 38.218 1.00 0.00 ATOM 556 CG LYS 72 8.057 20.222 39.096 1.00 0.00 ATOM 557 CD LYS 72 6.623 20.439 38.690 1.00 0.00 ATOM 558 CE LYS 72 5.637 19.784 39.669 1.00 0.00 ATOM 559 NZ LYS 72 5.779 18.291 39.700 1.00 0.00 ATOM 560 O LYS 72 11.239 18.902 39.518 1.00 0.00 ATOM 561 C LYS 72 11.044 19.590 38.498 1.00 0.00 ATOM 562 N ALA 73 11.570 19.281 37.279 1.00 0.00 ATOM 563 CA ALA 73 12.315 18.031 37.103 1.00 0.00 ATOM 564 CB ALA 73 11.330 16.809 37.133 1.00 0.00 ATOM 565 O ALA 73 13.050 17.713 34.821 1.00 0.00 ATOM 566 C ALA 73 13.389 17.967 35.972 1.00 0.00 ATOM 567 N ILE 74 14.684 18.005 36.328 1.00 0.00 ATOM 568 CA ILE 74 15.855 17.638 35.469 1.00 0.00 ATOM 569 CB ILE 74 16.840 18.841 35.376 1.00 0.00 ATOM 570 CG1 ILE 74 16.215 20.032 34.632 1.00 0.00 ATOM 571 CG2 ILE 74 18.145 18.419 34.712 1.00 0.00 ATOM 572 CD1 ILE 74 16.899 21.398 34.686 1.00 0.00 ATOM 573 O ILE 74 16.989 16.707 37.298 1.00 0.00 ATOM 574 C ILE 74 16.570 16.453 36.189 1.00 0.00 ATOM 575 N THR 75 16.827 15.273 35.608 1.00 0.00 ATOM 576 CA THR 75 17.365 14.063 36.300 1.00 0.00 ATOM 577 CB THR 75 16.172 13.113 36.596 1.00 0.00 ATOM 578 CG2 THR 75 15.162 13.723 37.511 1.00 0.00 ATOM 579 OG1 THR 75 15.592 12.613 35.387 1.00 0.00 ATOM 580 O THR 75 18.394 13.424 34.229 1.00 0.00 ATOM 581 C THR 75 18.297 13.217 35.439 1.00 0.00 ATOM 582 N HIS 76 18.981 12.265 36.065 1.00 0.00 ATOM 583 CA HIS 76 19.939 11.353 35.325 1.00 0.00 ATOM 584 CB HIS 76 19.084 10.399 34.479 1.00 0.00 ATOM 585 CG HIS 76 18.133 9.550 35.320 1.00 0.00 ATOM 586 CD2 HIS 76 16.806 9.520 35.264 1.00 0.00 ATOM 587 ND1 HIS 76 18.534 8.693 36.241 1.00 0.00 ATOM 588 CE1 HIS 76 17.454 8.110 36.741 1.00 0.00 ATOM 589 NE2 HIS 76 16.387 8.621 36.140 1.00 0.00 ATOM 590 O HIS 76 21.268 11.585 33.297 1.00 0.00 ATOM 591 C HIS 76 20.985 12.015 34.420 1.00 0.00 ATOM 592 N PHE 77 21.663 13.011 34.991 1.00 0.00 ATOM 593 CA PHE 77 22.711 13.664 34.202 1.00 0.00 ATOM 594 CB PHE 77 23.165 14.991 34.743 1.00 0.00 ATOM 595 CG PHE 77 22.982 15.871 33.526 1.00 0.00 ATOM 596 CD1 PHE 77 23.826 15.801 32.423 1.00 0.00 ATOM 597 CD2 PHE 77 21.896 16.716 33.541 1.00 0.00 ATOM 598 CE1 PHE 77 23.581 16.612 31.327 1.00 0.00 ATOM 599 CE2 PHE 77 21.707 17.577 32.469 1.00 0.00 ATOM 600 CZ PHE 77 22.557 17.531 31.369 1.00 0.00 ATOM 601 O PHE 77 24.410 12.117 34.894 1.00 0.00 ATOM 602 C PHE 77 23.909 12.751 33.964 1.00 0.00 ATOM 603 N GLU 78 24.367 12.683 32.718 1.00 0.00 ATOM 604 CA GLU 78 25.490 11.856 32.388 1.00 0.00 ATOM 605 CB GLU 78 24.987 10.562 31.747 1.00 0.00 ATOM 606 CG GLU 78 24.230 9.597 32.665 1.00 0.00 ATOM 607 CD GLU 78 23.940 8.256 31.963 1.00 0.00 ATOM 608 OE1 GLU 78 24.288 8.100 30.762 1.00 0.00 ATOM 609 OE2 GLU 78 23.357 7.383 32.634 1.00 0.00 ATOM 610 O GLU 78 26.019 13.346 30.584 1.00 0.00 ATOM 611 C GLU 78 26.437 12.516 31.392 1.00 0.00 ATOM 612 N VAL 79 27.713 12.147 31.451 1.00 0.00 ATOM 613 CA VAL 79 28.718 12.715 30.538 1.00 0.00 ATOM 614 CB VAL 79 29.632 13.699 31.287 1.00 0.00 ATOM 615 CG1 VAL 79 30.398 13.038 32.435 1.00 0.00 ATOM 616 CG2 VAL 79 30.628 14.373 30.332 1.00 0.00 ATOM 617 O VAL 79 30.019 10.709 30.647 1.00 0.00 ATOM 618 C VAL 79 29.633 11.654 29.956 1.00 0.00 ATOM 619 N GLU 80 29.984 11.807 28.684 1.00 0.00 ATOM 620 CA GLU 80 30.863 10.851 28.022 1.00 0.00 ATOM 621 CB GLU 80 30.003 10.004 27.104 1.00 0.00 ATOM 622 CG GLU 80 30.768 8.940 26.326 1.00 0.00 ATOM 623 CD GLU 80 29.785 8.082 25.503 1.00 0.00 ATOM 624 OE1 GLU 80 28.552 8.185 25.731 1.00 0.00 ATOM 625 OE2 GLU 80 30.264 7.123 24.881 1.00 0.00 ATOM 626 O GLU 80 31.581 12.555 26.495 1.00 0.00 ATOM 627 C GLU 80 31.915 11.657 27.269 1.00 0.00 ATOM 628 N THR 81 33.185 11.336 27.496 1.00 0.00 ATOM 629 CA THR 81 34.272 12.040 26.828 1.00 0.00 ATOM 630 CB THR 81 35.567 11.980 27.648 1.00 0.00 ATOM 631 CG2 THR 81 35.323 12.667 28.986 1.00 0.00 ATOM 632 OG1 THR 81 36.013 10.637 27.861 1.00 0.00 ATOM 633 O THR 81 33.899 10.411 25.097 1.00 0.00 ATOM 634 C THR 81 34.505 11.426 25.441 1.00 0.00 ATOM 635 N ALA 82 35.382 12.042 24.655 1.00 0.00 ATOM 636 CA ALA 82 35.681 11.542 23.318 1.00 0.00 ATOM 637 CB ALA 82 35.720 12.713 22.348 1.00 0.00 ATOM 638 O ALA 82 38.008 11.386 23.882 1.00 0.00 ATOM 639 C ALA 82 37.060 10.891 23.272 1.00 0.00 ATOM 640 N GLY 83 37.170 9.784 22.544 1.00 0.00 ATOM 641 CA GLY 83 38.454 9.068 22.422 1.00 0.00 ATOM 642 O GLY 83 38.994 10.964 21.054 1.00 0.00 ATOM 643 C GLY 83 39.329 9.845 21.444 1.00 0.00 ATOM 644 N THR 84 40.450 9.249 21.048 1.00 0.00 ATOM 645 CA THR 84 41.347 9.894 20.122 1.00 0.00 ATOM 646 CB THR 84 42.601 9.056 19.895 1.00 0.00 ATOM 647 CG2 THR 84 43.550 9.751 18.915 1.00 0.00 ATOM 648 OG1 THR 84 43.278 8.801 21.130 1.00 0.00 ATOM 649 O THR 84 40.864 11.139 18.105 1.00 0.00 ATOM 650 C THR 84 40.667 10.105 18.744 1.00 0.00 ATOM 651 N PHE 85 39.879 9.128 18.307 1.00 0.00 ATOM 652 CA PHE 85 39.190 9.227 17.026 1.00 0.00 ATOM 653 CB PHE 85 38.733 7.857 16.512 1.00 0.00 ATOM 654 CG PHE 85 39.898 6.985 16.046 1.00 0.00 ATOM 655 CD1 PHE 85 40.393 5.999 16.890 1.00 0.00 ATOM 656 CD2 PHE 85 40.420 7.125 14.776 1.00 0.00 ATOM 657 CE1 PHE 85 41.403 5.159 16.476 1.00 0.00 ATOM 658 CE2 PHE 85 41.448 6.290 14.353 1.00 0.00 ATOM 659 CZ PHE 85 41.934 5.302 15.202 1.00 0.00 ATOM 660 O PHE 85 37.459 10.518 15.957 1.00 0.00 ATOM 661 C PHE 85 37.951 10.131 17.026 1.00 0.00 ATOM 662 N ASP 86 37.412 10.419 18.205 1.00 0.00 ATOM 663 CA ASP 86 36.148 11.181 18.320 1.00 0.00 ATOM 664 CB ASP 86 35.380 10.771 19.568 1.00 0.00 ATOM 665 CG ASP 86 34.845 9.342 19.518 1.00 0.00 ATOM 666 OD1 ASP 86 34.771 8.774 18.395 1.00 0.00 ATOM 667 OD2 ASP 86 34.591 8.821 20.616 1.00 0.00 ATOM 668 O ASP 86 37.102 13.172 19.180 1.00 0.00 ATOM 669 C ASP 86 36.345 12.690 18.343 1.00 0.00 ATOM 670 N MET 87 35.373 13.390 17.775 1.00 0.00 ATOM 671 CA MET 87 35.363 14.867 17.722 1.00 0.00 ATOM 672 CB MET 87 34.918 15.355 16.338 1.00 0.00 ATOM 673 CG MET 87 35.917 14.977 15.247 1.00 0.00 ATOM 674 SD MET 87 37.586 15.719 15.437 1.00 0.00 ATOM 675 CE MET 87 37.184 17.450 15.240 1.00 0.00 ATOM 676 O MET 87 34.527 16.756 18.901 1.00 0.00 ATOM 677 C MET 87 34.444 15.537 18.734 1.00 0.00 ATOM 678 N ASP 88 33.678 14.726 19.466 1.00 0.00 ATOM 679 CA ASP 88 32.663 15.260 20.390 1.00 0.00 ATOM 680 CB ASP 88 31.245 15.144 19.749 1.00 0.00 ATOM 681 CG ASP 88 31.083 16.060 18.497 1.00 0.00 ATOM 682 OD1 ASP 88 31.900 17.006 18.283 1.00 0.00 ATOM 683 OD2 ASP 88 30.132 15.898 17.708 1.00 0.00 ATOM 684 O ASP 88 33.008 13.416 21.921 1.00 0.00 ATOM 685 C ASP 88 32.619 14.560 21.761 1.00 0.00 ATOM 686 N ALA 89 32.197 15.353 22.732 1.00 0.00 ATOM 687 CA ALA 89 31.808 14.868 24.069 1.00 0.00 ATOM 688 CB ALA 89 32.397 15.789 25.135 1.00 0.00 ATOM 689 O ALA 89 29.646 15.702 23.422 1.00 0.00 ATOM 690 C ALA 89 30.281 14.894 24.106 1.00 0.00 ATOM 691 N GLU 90 29.704 13.933 24.819 1.00 0.00 ATOM 692 CA GLU 90 28.241 13.804 24.909 1.00 0.00 ATOM 693 CB GLU 90 27.799 12.445 24.409 1.00 0.00 ATOM 694 CG GLU 90 28.199 12.288 22.950 1.00 0.00 ATOM 695 CD GLU 90 27.809 10.910 22.506 1.00 0.00 ATOM 696 OE1 GLU 90 26.658 10.843 22.028 1.00 0.00 ATOM 697 OE2 GLU 90 28.594 9.967 22.749 1.00 0.00 ATOM 698 O GLU 90 28.273 13.473 27.300 1.00 0.00 ATOM 699 C GLU 90 27.735 14.032 26.330 1.00 0.00 ATOM 700 N LEU 91 26.672 14.817 26.428 1.00 0.00 ATOM 701 CA LEU 91 26.005 15.091 27.705 1.00 0.00 ATOM 702 CB LEU 91 26.078 16.578 28.087 1.00 0.00 ATOM 703 CG LEU 91 27.258 16.895 29.017 1.00 0.00 ATOM 704 CD1 LEU 91 28.594 16.491 28.399 1.00 0.00 ATOM 705 CD2 LEU 91 27.234 18.374 29.381 1.00 0.00 ATOM 706 O LEU 91 23.999 14.667 26.459 1.00 0.00 ATOM 707 C LEU 91 24.588 14.553 27.535 1.00 0.00 ATOM 708 N LYS 92 24.071 13.902 28.572 1.00 0.00 ATOM 709 CA LYS 92 22.736 13.351 28.517 1.00 0.00 ATOM 710 CB LYS 92 22.694 11.849 28.266 1.00 0.00 ATOM 711 CG LYS 92 23.215 11.556 26.866 1.00 0.00 ATOM 712 CD LYS 92 23.069 10.111 26.442 1.00 0.00 ATOM 713 CE LYS 92 24.274 9.599 25.650 1.00 0.00 ATOM 714 NZ LYS 92 25.199 8.877 26.524 1.00 0.00 ATOM 715 O LYS 92 22.542 13.685 30.867 1.00 0.00 ATOM 716 C LYS 92 21.970 13.630 29.778 1.00 0.00 ATOM 717 N LEU 93 20.656 13.773 29.646 1.00 0.00 ATOM 718 CA LEU 93 19.805 14.044 30.800 1.00 0.00 ATOM 719 CB LEU 93 19.834 15.519 31.202 1.00 0.00 ATOM 720 CG LEU 93 19.266 16.509 30.173 1.00 0.00 ATOM 721 CD1 LEU 93 18.945 17.824 30.857 1.00 0.00 ATOM 722 CD2 LEU 93 20.280 16.790 29.067 1.00 0.00 ATOM 723 O LEU 93 18.105 13.328 29.253 1.00 0.00 ATOM 724 C LEU 93 18.381 13.712 30.388 1.00 0.00 ATOM 725 N TRP 94 17.531 13.715 31.396 1.00 0.00 ATOM 726 CA TRP 94 16.104 13.504 31.194 1.00 0.00 ATOM 727 CB TRP 94 15.699 12.118 31.696 1.00 0.00 ATOM 728 CG TRP 94 16.285 10.974 30.928 1.00 0.00 ATOM 729 CD1 TRP 94 17.543 10.425 31.060 1.00 0.00 ATOM 730 CD2 TRP 94 15.613 10.190 29.939 1.00 0.00 ATOM 731 CE2 TRP 94 16.521 9.195 29.496 1.00 0.00 ATOM 732 CE3 TRP 94 14.322 10.227 29.386 1.00 0.00 ATOM 733 NE1 TRP 94 17.691 9.357 30.196 1.00 0.00 ATOM 734 CZ2 TRP 94 16.172 8.240 28.527 1.00 0.00 ATOM 735 CZ3 TRP 94 13.979 9.277 28.416 1.00 0.00 ATOM 736 CH2 TRP 94 14.907 8.310 27.990 1.00 0.00 ATOM 737 O TRP 94 15.529 14.841 33.085 1.00 0.00 ATOM 738 C TRP 94 15.427 14.683 31.868 1.00 0.00 ATOM 739 N ILE 95 14.657 15.444 31.105 1.00 0.00 ATOM 740 CA ILE 95 13.938 16.577 31.670 1.00 0.00 ATOM 741 CB ILE 95 14.484 17.903 31.119 1.00 0.00 ATOM 742 CG1 ILE 95 14.024 18.990 32.086 1.00 0.00 ATOM 743 CG2 ILE 95 14.148 18.108 29.635 1.00 0.00 ATOM 744 CD1 ILE 95 14.448 20.408 31.739 1.00 0.00 ATOM 745 O ILE 95 11.942 16.178 30.398 1.00 0.00 ATOM 746 C ILE 95 12.445 16.304 31.516 1.00 0.00 ATOM 747 N SER 96 11.738 16.216 32.638 1.00 0.00 ATOM 748 CA SER 96 10.298 15.960 32.610 1.00 0.00 ATOM 749 CB SER 96 9.500 17.273 32.681 1.00 0.00 ATOM 750 OG SER 96 8.102 17.068 32.902 1.00 0.00 ATOM 751 O SER 96 8.822 14.728 31.169 1.00 0.00 ATOM 752 C SER 96 9.894 14.740 31.776 1.00 0.00 ATOM 753 N GLY 97 10.705 13.688 31.826 1.00 0.00 ATOM 754 CA GLY 97 10.414 12.474 31.074 1.00 0.00 ATOM 755 O GLY 97 10.974 11.339 29.039 1.00 0.00 ATOM 756 C GLY 97 11.016 12.389 29.681 1.00 0.00 ATOM 757 N GLN 98 11.578 13.499 29.210 1.00 0.00 ATOM 758 CA GLN 98 12.188 13.533 27.885 1.00 0.00 ATOM 759 CB GLN 98 11.691 14.837 27.311 1.00 0.00 ATOM 760 CG GLN 98 10.183 14.936 27.189 1.00 0.00 ATOM 761 CD GLN 98 9.574 14.040 26.128 1.00 0.00 ATOM 762 OE1 GLN 98 10.089 13.812 25.064 1.00 0.00 ATOM 763 NE2 GLN 98 8.405 13.522 26.365 1.00 0.00 ATOM 764 O GLN 98 14.400 13.980 28.691 1.00 0.00 ATOM 765 C GLN 98 13.697 13.338 27.910 1.00 0.00 ATOM 766 N LYS 99 14.204 12.521 26.992 1.00 0.00 ATOM 767 CA LYS 99 15.638 12.262 26.921 1.00 0.00 ATOM 768 CB LYS 99 15.855 10.899 26.225 1.00 0.00 ATOM 769 CG LYS 99 17.329 10.500 26.075 1.00 0.00 ATOM 770 CD LYS 99 17.458 9.143 25.388 1.00 0.00 ATOM 771 CE LYS 99 18.906 8.742 25.158 1.00 0.00 ATOM 772 NZ LYS 99 19.022 7.408 24.551 1.00 0.00 ATOM 773 O LYS 99 16.049 13.491 24.902 1.00 0.00 ATOM 774 C LYS 99 16.401 13.263 26.060 1.00 0.00 ATOM 775 N ASP 100 17.443 13.862 26.628 1.00 0.00 ATOM 776 CA ASP 100 18.223 14.814 25.906 1.00 0.00 ATOM 777 CB ASP 100 18.123 16.187 26.533 1.00 0.00 ATOM 778 CG ASP 100 16.732 16.781 26.544 1.00 0.00 ATOM 779 OD1 ASP 100 16.096 16.787 25.482 1.00 0.00 ATOM 780 OD2 ASP 100 16.345 17.247 27.635 1.00 0.00 ATOM 781 O ASP 100 20.400 14.384 26.862 1.00 0.00 ATOM 782 C ASP 100 19.700 14.445 25.840 1.00 0.00 ATOM 783 N PRO 101 20.102 14.171 24.606 1.00 0.00 ATOM 784 CA PRO 101 21.528 13.921 24.364 1.00 0.00 ATOM 785 CB PRO 101 21.439 12.499 23.838 1.00 0.00 ATOM 786 CG PRO 101 20.161 12.411 23.024 1.00 0.00 ATOM 787 CD PRO 101 19.277 13.536 23.568 1.00 0.00 ATOM 788 O PRO 101 21.538 15.433 22.501 1.00 0.00 ATOM 789 C PRO 101 22.101 15.064 23.532 1.00 0.00 ATOM 790 N LEU 102 23.220 15.623 23.981 1.00 0.00 ATOM 791 CA LEU 102 23.869 16.736 23.259 1.00 0.00 ATOM 792 CB LEU 102 24.010 17.978 24.149 1.00 0.00 ATOM 793 CG LEU 102 24.904 19.055 23.538 1.00 0.00 ATOM 794 CD1 LEU 102 24.298 19.536 22.236 1.00 0.00 ATOM 795 CD2 LEU 102 25.086 20.243 24.488 1.00 0.00 ATOM 796 O LEU 102 26.047 15.841 23.721 1.00 0.00 ATOM 797 C LEU 102 25.295 16.344 22.885 1.00 0.00 ATOM 798 N VAL 103 25.665 16.576 21.630 1.00 0.00 ATOM 799 CA VAL 103 27.006 16.243 21.164 1.00 0.00 ATOM 800 CB VAL 103 26.951 15.294 19.965 1.00 0.00 ATOM 801 CG1 VAL 103 26.247 13.975 20.330 1.00 0.00 ATOM 802 CG2 VAL 103 26.248 15.923 18.769 1.00 0.00 ATOM 803 O VAL 103 27.429 18.250 19.915 1.00 0.00 ATOM 804 C VAL 103 27.753 17.543 20.871 1.00 0.00 ATOM 805 N LYS 104 28.750 17.854 21.692 1.00 0.00 ATOM 806 CA LYS 104 29.532 19.070 21.505 1.00 0.00 ATOM 807 CB LYS 104 29.351 19.922 22.751 1.00 0.00 ATOM 808 CG LYS 104 29.824 21.372 22.738 1.00 0.00 ATOM 809 CD LYS 104 28.934 22.285 21.907 1.00 0.00 ATOM 810 CE LYS 104 29.550 23.684 21.883 1.00 0.00 ATOM 811 NZ LYS 104 30.891 23.689 21.286 1.00 0.00 ATOM 812 O LYS 104 31.611 17.893 21.809 1.00 0.00 ATOM 813 C LYS 104 31.010 18.777 21.214 1.00 0.00 ATOM 814 N GLU 105 31.598 19.687 20.443 1.00 0.00 ATOM 815 CA GLU 105 33.009 19.591 20.045 1.00 0.00 ATOM 816 CB GLU 105 33.415 20.913 19.399 1.00 0.00 ATOM 817 CG GLU 105 34.806 20.904 18.757 1.00 0.00 ATOM 818 CD GLU 105 35.163 22.251 18.091 1.00 0.00 ATOM 819 OE1 GLU 105 34.284 23.148 18.077 1.00 0.00 ATOM 820 OE2 GLU 105 36.364 22.454 17.820 1.00 0.00 ATOM 821 O GLU 105 33.753 19.952 22.298 1.00 0.00 ATOM 822 C GLU 105 33.855 19.274 21.274 1.00 0.00 ATOM 823 N LEU 106 34.689 18.244 21.172 1.00 0.00 ATOM 824 CA LEU 106 35.558 17.845 22.294 1.00 0.00 ATOM 825 CB LEU 106 36.358 16.682 21.685 1.00 0.00 ATOM 826 CG LEU 106 37.621 17.117 20.922 1.00 0.00 ATOM 827 CD1 LEU 106 38.770 17.189 21.921 1.00 0.00 ATOM 828 CD2 LEU 106 37.994 16.217 19.759 1.00 0.00 ATOM 829 O LEU 106 36.975 19.012 23.860 1.00 0.00 ATOM 830 C LEU 106 36.528 18.971 22.713 1.00 0.00 ATOM 831 N LYS 107 36.841 19.869 21.785 1.00 0.00 ATOM 832 CA LYS 107 37.747 20.974 22.078 1.00 0.00 ATOM 833 CB LYS 107 38.085 21.664 20.753 1.00 0.00 ATOM 834 CG LYS 107 38.885 20.732 19.832 1.00 0.00 ATOM 835 CD LYS 107 39.249 21.378 18.491 1.00 0.00 ATOM 836 CE LYS 107 40.133 22.623 18.623 1.00 0.00 ATOM 837 NZ LYS 107 41.415 22.278 19.239 1.00 0.00 ATOM 838 O LYS 107 38.058 22.664 23.786 1.00 0.00 ATOM 839 C LYS 107 37.260 21.917 23.219 1.00 0.00 ATOM 840 N LYS 108 35.971 21.866 23.535 1.00 0.00 ATOM 841 CA LYS 108 35.417 22.705 24.590 1.00 0.00 ATOM 842 CB LYS 108 34.423 23.708 23.997 1.00 0.00 ATOM 843 CG LYS 108 35.133 25.007 23.591 1.00 0.00 ATOM 844 CD LYS 108 36.068 24.807 22.398 1.00 0.00 ATOM 845 CE LYS 108 36.999 25.985 22.212 1.00 0.00 ATOM 846 NZ LYS 108 36.272 27.194 21.821 1.00 0.00 ATOM 847 O LYS 108 34.037 22.288 26.508 1.00 0.00 ATOM 848 C LYS 108 34.948 21.881 25.784 1.00 0.00 ATOM 849 N GLY 109 35.529 20.698 25.956 1.00 0.00 ATOM 850 CA GLY 109 35.158 19.810 27.082 1.00 0.00 ATOM 851 O GLY 109 34.471 20.183 29.380 1.00 0.00 ATOM 852 C GLY 109 35.261 20.490 28.487 1.00 0.00 ATOM 853 N THR 110 36.223 21.393 28.652 1.00 0.00 ATOM 854 CA THR 110 36.399 22.084 29.924 1.00 0.00 ATOM 855 CB THR 110 37.503 23.139 29.788 1.00 0.00 ATOM 856 CG2 THR 110 37.780 23.891 31.081 1.00 0.00 ATOM 857 OG1 THR 110 38.703 22.499 29.349 1.00 0.00 ATOM 858 O THR 110 34.680 22.691 31.476 1.00 0.00 ATOM 859 C THR 110 35.120 22.799 30.331 1.00 0.00 ATOM 860 N ASP 111 34.472 23.448 29.369 1.00 0.00 ATOM 861 CA ASP 111 33.233 24.166 29.644 1.00 0.00 ATOM 862 CB ASP 111 33.011 25.308 28.652 1.00 0.00 ATOM 863 CG ASP 111 34.209 26.229 28.481 1.00 0.00 ATOM 864 OD1 ASP 111 34.898 26.517 29.488 1.00 0.00 ATOM 865 OD2 ASP 111 34.536 26.463 27.290 1.00 0.00 ATOM 866 O ASP 111 31.033 23.531 30.343 1.00 0.00 ATOM 867 C ASP 111 32.031 23.230 29.688 1.00 0.00 ATOM 868 N VAL 112 32.060 22.120 28.909 1.00 0.00 ATOM 869 CA VAL 112 30.964 21.163 28.914 1.00 0.00 ATOM 870 CB VAL 112 31.177 20.039 27.882 1.00 0.00 ATOM 871 CG1 VAL 112 31.969 18.788 28.287 1.00 0.00 ATOM 872 CG2 VAL 112 29.803 19.645 27.391 1.00 0.00 ATOM 873 O VAL 112 29.759 20.291 30.786 1.00 0.00 ATOM 874 C VAL 112 30.854 20.510 30.288 1.00 0.00 ATOM 875 N VAL 113 31.994 20.277 30.900 1.00 0.00 ATOM 876 CA VAL 113 32.000 19.691 32.233 1.00 0.00 ATOM 877 CB VAL 113 33.419 19.215 32.601 1.00 0.00 ATOM 878 CG1 VAL 113 33.449 18.566 33.985 1.00 0.00 ATOM 879 CG2 VAL 113 33.868 18.121 31.640 1.00 0.00 ATOM 880 O VAL 113 30.664 20.277 34.148 1.00 0.00 ATOM 881 C VAL 113 31.375 20.678 33.219 1.00 0.00 ATOM 882 N GLY 114 31.589 21.990 32.982 1.00 0.00 ATOM 883 CA GLY 114 31.008 23.003 33.847 1.00 0.00 ATOM 884 O GLY 114 28.861 22.944 34.921 1.00 0.00 ATOM 885 C GLY 114 29.496 22.869 33.865 1.00 0.00 ATOM 886 N ILE 115 28.901 22.565 32.699 1.00 0.00 ATOM 887 CA ILE 115 27.449 22.407 32.567 1.00 0.00 ATOM 888 CB ILE 115 27.044 22.229 31.085 1.00 0.00 ATOM 889 CG1 ILE 115 27.119 23.578 30.370 1.00 0.00 ATOM 890 CG2 ILE 115 25.608 21.723 30.949 1.00 0.00 ATOM 891 CD1 ILE 115 26.867 23.559 28.866 1.00 0.00 ATOM 892 O ILE 115 25.912 21.304 34.068 1.00 0.00 ATOM 893 C ILE 115 26.947 21.217 33.407 1.00 0.00 ATOM 894 N GLN 116 27.650 20.090 33.269 1.00 0.00 ATOM 895 CA GLN 116 27.244 18.861 33.972 1.00 0.00 ATOM 896 CB GLN 116 28.219 17.732 33.716 1.00 0.00 ATOM 897 CG GLN 116 27.709 16.399 34.261 1.00 0.00 ATOM 898 CD GLN 116 28.801 15.351 34.438 1.00 0.00 ATOM 899 OE1 GLN 116 28.564 14.214 34.818 1.00 0.00 ATOM 900 NE2 GLN 116 30.029 15.728 34.160 1.00 0.00 ATOM 901 O GLN 116 26.196 18.851 36.132 1.00 0.00 ATOM 902 C GLN 116 27.194 19.138 35.470 1.00 0.00 ATOM 903 N LYS 117 28.236 19.757 35.962 1.00 0.00 ATOM 904 CA LYS 117 28.326 20.071 37.384 1.00 0.00 ATOM 905 CB LYS 117 29.631 20.726 37.740 1.00 0.00 ATOM 906 CG LYS 117 30.816 19.762 37.750 1.00 0.00 ATOM 907 CD LYS 117 30.640 18.667 38.794 1.00 0.00 ATOM 908 CE LYS 117 31.834 17.722 38.802 1.00 0.00 ATOM 909 NZ LYS 117 31.717 16.705 39.881 1.00 0.00 ATOM 910 O LYS 117 26.557 20.861 38.799 1.00 0.00 ATOM 911 C LYS 117 27.237 21.059 37.791 1.00 0.00 ATOM 912 N THR 118 27.076 22.121 37.008 1.00 0.00 ATOM 913 CA THR 118 26.046 23.153 37.301 1.00 0.00 ATOM 914 CB THR 118 26.105 24.233 36.212 1.00 0.00 ATOM 915 CG2 THR 118 25.117 25.369 36.437 1.00 0.00 ATOM 916 OG1 THR 118 27.407 24.803 36.168 1.00 0.00 ATOM 917 O THR 118 23.860 22.918 38.284 1.00 0.00 ATOM 918 C THR 118 24.625 22.591 37.368 1.00 0.00 ATOM 919 N ILE 119 24.238 21.821 36.360 1.00 0.00 ATOM 920 CA ILE 119 22.896 21.240 36.325 1.00 0.00 ATOM 921 CB ILE 119 22.627 20.564 34.977 1.00 0.00 ATOM 922 CG1 ILE 119 21.155 20.183 34.888 1.00 0.00 ATOM 923 CG2 ILE 119 23.486 19.314 34.783 1.00 0.00 ATOM 924 CD1 ILE 119 20.260 21.422 34.850 1.00 0.00 ATOM 925 O ILE 119 21.539 20.125 37.958 1.00 0.00 ATOM 926 C ILE 119 22.656 20.251 37.476 1.00 0.00 ATOM 927 N ALA 120 23.691 19.475 37.773 1.00 0.00 ATOM 928 CA ALA 120 23.579 18.465 38.829 1.00 0.00 ATOM 929 CB ALA 120 24.901 17.770 38.930 1.00 0.00 ATOM 930 O ALA 120 22.338 18.855 40.813 1.00 0.00 ATOM 931 C ALA 120 23.319 19.160 40.158 1.00 0.00 ATOM 932 N ASN 121 24.006 20.275 40.352 1.00 0.00 ATOM 933 CA ASN 121 23.777 21.120 41.529 1.00 0.00 ATOM 934 CB ASN 121 24.943 22.101 41.552 1.00 0.00 ATOM 935 CG ASN 121 24.736 23.195 42.577 1.00 0.00 ATOM 936 ND2 ASN 121 24.748 22.813 43.837 1.00 0.00 ATOM 937 OD1 ASN 121 24.570 24.335 42.200 1.00 0.00 ATOM 938 O ASN 121 21.749 21.877 42.604 1.00 0.00 ATOM 939 C ASN 121 22.370 21.771 41.546 1.00 0.00 ATOM 940 N PHE 122 21.893 22.201 40.382 1.00 0.00 ATOM 941 CA PHE 122 20.578 22.825 40.290 1.00 0.00 ATOM 942 CB PHE 122 20.318 23.390 38.886 1.00 0.00 ATOM 943 CG PHE 122 21.189 24.603 38.551 1.00 0.00 ATOM 944 CD1 PHE 122 21.834 25.322 39.549 1.00 0.00 ATOM 945 CD2 PHE 122 21.260 25.030 37.237 1.00 0.00 ATOM 946 CE1 PHE 122 22.560 26.448 39.223 1.00 0.00 ATOM 947 CE2 PHE 122 21.979 26.176 36.905 1.00 0.00 ATOM 948 CZ PHE 122 22.636 26.883 37.899 1.00 0.00 ATOM 949 O PHE 122 18.573 22.076 41.372 1.00 0.00 ATOM 950 C PHE 122 19.499 21.796 40.610 1.00 0.00 ATOM 951 N SER 123 19.610 20.614 40.015 1.00 0.00 ATOM 952 CA SER 123 18.646 19.571 40.250 1.00 0.00 ATOM 953 CB SER 123 18.865 18.399 39.289 1.00 0.00 ATOM 954 OG SER 123 20.144 17.786 39.472 1.00 0.00 ATOM 955 O SER 123 17.639 18.914 42.347 1.00 0.00 ATOM 956 C SER 123 18.687 19.123 41.734 1.00 0.00 ATOM 957 N LEU 124 19.880 19.081 42.317 1.00 0.00 ATOM 958 CA LEU 124 20.027 18.674 43.709 1.00 0.00 ATOM 959 CB LEU 124 21.507 18.423 44.059 1.00 0.00 ATOM 960 CG LEU 124 22.185 17.294 43.261 1.00 0.00 ATOM 961 CD1 LEU 124 23.663 17.185 43.650 1.00 0.00 ATOM 962 CD2 LEU 124 21.550 15.922 43.470 1.00 0.00 ATOM 963 O LEU 124 18.934 20.764 44.192 1.00 0.00 ATOM 964 C LEU 124 19.426 19.723 44.679 1.00 0.00 TER END