PFRMAT TS TARGET TR429 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 For a REFINEMENT model, the predictions are redone for the sequence METHOD included in the refinement model, then both the automatic model and METHOD supplied model are further optiized, initially taking sheet and helix METHOD constraints from the supplied model to refine. METHOD METHOD In the case of TR429, the supplied model is rather terrible, with bad METHOD breaks and clashes and incompletely formed sheets. The domains were METHOD separately predicted, and predictions were pasted into the supplied model. METHOD Only model 5 was optimized directly from TR429, though model 4 was METHOD constructed from domains separately optimized from TR429. METHOD METHOD The other models submitted have nothing left of the original TR429 METHOD model, except the placement of the two domains, which I believe is METHOD incorrect, as the hydrophobic residues I104, F166, I164 are all METHOD exposed---I believe they should be packed against the other barrel. METHOD METHOD I tried looking for a model (among the server models and METHOD SAM+undertaker models) that would pack the two barrels better, but I METHOD didn't find one. I don't think that I have the time or the tools to METHOD dock the domains against each other properly. METHOD METHOD Model METHOD METHOD 1 TR429.try5-opt3.pdb # < chimera-try4-C4 METHOD chimera-try4-C4: METHOD initially TR429.try4-opt3.gromacs0.pdb METHOD L110-P176 from R100-P176/try4-opt3.gromacs0 < R100-P176/try1-opt3.gromacs0 < align(2f5kA) METHOD try4-opt3 < chimera-N3-try3 METHOD chimera-N3-try3: METHOD E22-A70, Y77-V97 from E22-A101/try3-opt3 < E22-A101/chimera-try1-init METHOD L71-I76, R98-P176 from try3-opt3.gromacs0 METHOD try3-opt3 < chimera-try2-C1 METHOD chimera-try2-C1: METHOD N-terminal region from TR429.try2-opt3.pdb METHOD I105-P176 from R100-P176/try1-opt3 < align(2f5kA) METHOD try2-opt3 < TR429 (initial model) METHOD METHOD E22-A101/chimera-try1-init: METHOD mostly from E22-S101/try1-opt3 < align(1mhnA) METHOD loop K55-I76 from TR429.pdb METHOD METHOD METHOD 2 TR429.try8-opt3.gromacs0.repack-nonPC.pdb # < try7-opt3.gromacs0 < chimera-N4-try5 METHOD # best Rosetta energy METHOD chimera-N4-try5: METHOD E22-V97 from E22-A101/try4-opt3 < try3-opt3 < E22-A101/chimera-try1-init METHOD R98-P176 from TR429.try5-opt3.pdb (see model 1) METHOD METHOD 3 TR429.try4-opt3.gromacs0.pdb # < chimera-N3-try3 METHOD METHOD 4 TR429.try6-opt3.gromacs0.pdb # < chimera-N2-C2 METHOD chimera-N2-C2: METHOD E22-R100 E22-A101/try2-opt3 < TR429 METHOD A101-L110 try4-opt3.gromacs0 METHOD E111-P176 R100-P176/try2-opt3 < TR429 METHOD METHOD 5 TR429.try9-opt3.pdb # < try2-opt3.gromacs0 < TR429 METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 TR429 model 3 Sun Jul 13 16:58:04 2008 MODEL 3 PARENT N/A ATOM 1 N GLU 22 21.837 31.063 30.499 1.00 0.00 ATOM 2 CA GLU 22 22.117 31.237 31.932 1.00 0.00 ATOM 3 CB GLU 22 23.619 31.042 32.124 1.00 0.00 ATOM 4 CG GLU 22 23.968 30.330 33.436 1.00 0.00 ATOM 5 CD GLU 22 25.332 29.633 33.350 1.00 0.00 ATOM 6 OE1 GLU 22 26.338 30.235 33.754 1.00 0.00 ATOM 7 OE2 GLU 22 25.379 28.498 32.841 1.00 0.00 ATOM 8 O GLU 22 21.196 33.425 31.578 1.00 0.00 ATOM 9 C GLU 22 21.488 32.558 32.407 1.00 0.00 ATOM 10 N THR 23 20.964 32.494 33.626 1.00 0.00 ATOM 11 CA THR 23 20.357 33.647 34.336 1.00 0.00 ATOM 12 CB THR 23 19.749 33.269 35.701 1.00 0.00 ATOM 13 CG2 THR 23 18.624 32.250 35.551 1.00 0.00 ATOM 14 OG1 THR 23 20.784 32.757 36.540 1.00 0.00 ATOM 15 O THR 23 21.139 35.913 34.333 1.00 0.00 ATOM 16 C THR 23 21.378 34.743 34.604 1.00 0.00 ATOM 17 N GLU 24 22.596 34.305 34.935 1.00 0.00 ATOM 18 CA GLU 24 23.716 35.220 35.193 1.00 0.00 ATOM 19 CB GLU 24 24.953 34.422 35.531 1.00 0.00 ATOM 20 CG GLU 24 24.864 33.731 36.878 1.00 0.00 ATOM 21 CD GLU 24 26.126 33.010 37.307 1.00 0.00 ATOM 22 OE1 GLU 24 27.019 32.930 36.444 1.00 0.00 ATOM 23 OE2 GLU 24 26.164 32.456 38.421 1.00 0.00 ATOM 24 O GLU 24 24.435 37.221 34.072 1.00 0.00 ATOM 25 C GLU 24 24.053 36.066 33.958 1.00 0.00 ATOM 26 N LEU 25 23.816 35.483 32.790 1.00 0.00 ATOM 27 CA LEU 25 24.039 36.181 31.507 1.00 0.00 ATOM 28 CB LEU 25 24.081 35.185 30.342 1.00 0.00 ATOM 29 CG LEU 25 25.251 34.195 30.398 1.00 0.00 ATOM 30 CD1 LEU 25 25.223 33.190 29.246 1.00 0.00 ATOM 31 CD2 LEU 25 26.635 34.842 30.552 1.00 0.00 ATOM 32 O LEU 25 23.285 38.121 30.365 1.00 0.00 ATOM 33 C LEU 25 22.995 37.247 31.186 1.00 0.00 ATOM 34 N GLY 26 21.779 37.030 31.667 1.00 0.00 ATOM 35 CA GLY 26 20.610 37.830 31.284 1.00 0.00 ATOM 36 O GLY 26 19.874 38.500 29.141 1.00 0.00 ATOM 37 C GLY 26 20.288 37.576 29.821 1.00 0.00 ATOM 38 N LEU 27 20.519 36.347 29.390 1.00 0.00 ATOM 39 CA LEU 27 20.202 35.900 28.031 1.00 0.00 ATOM 40 CB LEU 27 21.478 35.837 27.198 1.00 0.00 ATOM 41 CG LEU 27 22.073 37.221 26.967 1.00 0.00 ATOM 42 CD1 LEU 27 23.209 37.124 25.970 1.00 0.00 ATOM 43 CD2 LEU 27 21.057 38.244 26.443 1.00 0.00 ATOM 44 O LEU 27 19.758 33.544 27.623 1.00 0.00 ATOM 45 C LEU 27 19.366 34.634 28.048 1.00 0.00 ATOM 46 N TYR 28 18.297 34.788 28.813 1.00 0.00 ATOM 47 CA TYR 28 17.354 33.695 29.071 1.00 0.00 ATOM 48 CB TYR 28 17.609 33.151 30.484 1.00 0.00 ATOM 49 CG TYR 28 17.394 34.169 31.579 1.00 0.00 ATOM 50 CD1 TYR 28 16.155 34.319 32.172 1.00 0.00 ATOM 51 CD2 TYR 28 18.470 34.932 31.954 1.00 0.00 ATOM 52 CE1 TYR 28 16.004 35.261 33.161 1.00 0.00 ATOM 53 CE2 TYR 28 18.319 35.863 32.953 1.00 0.00 ATOM 54 CZ TYR 28 17.091 36.032 33.556 1.00 0.00 ATOM 55 OH TYR 28 16.924 37.027 34.457 1.00 0.00 ATOM 56 O TYR 28 14.974 33.517 29.507 1.00 0.00 ATOM 57 C TYR 28 15.872 34.051 28.863 1.00 0.00 ATOM 58 N LYS 29 15.641 35.048 28.034 1.00 0.00 ATOM 59 CA LYS 29 14.267 35.515 27.773 1.00 0.00 ATOM 60 CB LYS 29 14.010 36.867 28.450 1.00 0.00 ATOM 61 CG LYS 29 14.043 36.741 29.967 1.00 0.00 ATOM 62 CD LYS 29 13.855 38.093 30.630 1.00 0.00 ATOM 63 CE LYS 29 14.039 38.105 32.154 1.00 0.00 ATOM 64 NZ LYS 29 13.828 39.439 32.767 1.00 0.00 ATOM 65 O LYS 29 14.943 35.671 25.477 1.00 0.00 ATOM 66 C LYS 29 14.015 35.622 26.277 1.00 0.00 ATOM 67 N VAL 30 12.734 35.561 25.935 1.00 0.00 ATOM 68 CA VAL 30 12.328 35.796 24.531 1.00 0.00 ATOM 69 CB VAL 30 10.806 35.750 24.373 1.00 0.00 ATOM 70 CG1 VAL 30 10.399 36.066 22.942 1.00 0.00 ATOM 71 CG2 VAL 30 10.249 34.362 24.731 1.00 0.00 ATOM 72 O VAL 30 12.814 38.110 24.977 1.00 0.00 ATOM 73 C VAL 30 12.864 37.185 24.154 1.00 0.00 ATOM 74 N ASN 31 13.389 37.258 22.945 1.00 0.00 ATOM 75 CA ASN 31 13.940 38.465 22.301 1.00 0.00 ATOM 76 CB ASN 31 12.699 39.385 22.236 1.00 0.00 ATOM 77 CG ASN 31 12.778 40.631 21.369 1.00 0.00 ATOM 78 ND2 ASN 31 12.096 40.679 20.265 1.00 0.00 ATOM 79 OD1 ASN 31 13.361 41.628 21.688 1.00 0.00 ATOM 80 O ASN 31 15.795 40.005 22.567 1.00 0.00 ATOM 81 C ASN 31 15.251 38.977 22.956 1.00 0.00 ATOM 82 N GLU 32 15.920 38.099 23.724 1.00 0.00 ATOM 83 CA GLU 32 17.299 38.345 24.207 1.00 0.00 ATOM 84 CB GLU 32 17.708 37.418 25.349 1.00 0.00 ATOM 85 CG GLU 32 16.929 37.674 26.642 1.00 0.00 ATOM 86 CD GLU 32 17.077 39.086 27.208 1.00 0.00 ATOM 87 OE1 GLU 32 18.200 39.458 27.569 1.00 0.00 ATOM 88 OE2 GLU 32 16.031 39.726 27.445 1.00 0.00 ATOM 89 O GLU 32 18.014 37.282 22.172 1.00 0.00 ATOM 90 C GLU 32 18.266 38.114 23.045 1.00 0.00 ATOM 91 N TYR 33 19.361 38.848 23.038 1.00 0.00 ATOM 92 CA TYR 33 20.396 38.612 22.022 1.00 0.00 ATOM 93 CB TYR 33 21.056 39.938 21.716 1.00 0.00 ATOM 94 CG TYR 33 20.160 40.936 21.004 1.00 0.00 ATOM 95 CD1 TYR 33 19.925 40.919 19.634 1.00 0.00 ATOM 96 CD2 TYR 33 19.568 41.885 21.807 1.00 0.00 ATOM 97 CE1 TYR 33 19.067 41.851 19.078 1.00 0.00 ATOM 98 CE2 TYR 33 18.710 42.818 21.251 1.00 0.00 ATOM 99 CZ TYR 33 18.465 42.791 19.891 1.00 0.00 ATOM 100 OH TYR 33 17.786 43.784 19.287 1.00 0.00 ATOM 101 O TYR 33 21.888 37.981 23.724 1.00 0.00 ATOM 102 C TYR 33 21.456 37.697 22.627 1.00 0.00 ATOM 103 N VAL 34 21.825 36.624 21.963 1.00 0.00 ATOM 104 CA VAL 34 22.819 35.652 22.450 1.00 0.00 ATOM 105 CB VAL 34 22.119 34.371 22.950 1.00 0.00 ATOM 106 CG1 VAL 34 21.088 34.635 24.036 1.00 0.00 ATOM 107 CG2 VAL 34 21.473 33.539 21.827 1.00 0.00 ATOM 108 O VAL 34 23.423 35.609 20.141 1.00 0.00 ATOM 109 C VAL 34 23.754 35.292 21.275 1.00 0.00 ATOM 110 N ASP 35 24.616 34.318 21.549 1.00 0.00 ATOM 111 CA ASP 35 25.285 33.555 20.487 1.00 0.00 ATOM 112 CB ASP 35 26.763 33.919 20.377 1.00 0.00 ATOM 113 CG ASP 35 27.003 35.343 19.887 1.00 0.00 ATOM 114 OD1 ASP 35 26.052 36.022 19.469 1.00 0.00 ATOM 115 OD2 ASP 35 28.193 35.723 19.994 1.00 0.00 ATOM 116 O ASP 35 25.146 31.661 21.940 1.00 0.00 ATOM 117 C ASP 35 25.175 32.066 20.788 1.00 0.00 ATOM 118 N ALA 36 25.316 31.235 19.783 1.00 0.00 ATOM 119 CA ALA 36 25.117 29.781 19.930 1.00 0.00 ATOM 120 CB ALA 36 23.620 29.402 19.880 1.00 0.00 ATOM 121 O ALA 36 26.168 29.621 17.753 1.00 0.00 ATOM 122 C ALA 36 25.843 29.060 18.806 1.00 0.00 ATOM 123 N ARG 37 26.237 27.847 19.148 1.00 0.00 ATOM 124 CA ARG 37 26.931 26.991 18.182 1.00 0.00 ATOM 125 CB ARG 37 27.758 25.953 18.926 1.00 0.00 ATOM 126 CG ARG 37 28.582 25.107 17.963 1.00 0.00 ATOM 127 CD ARG 37 29.353 24.087 18.772 1.00 0.00 ATOM 128 NE ARG 37 30.140 23.229 17.861 1.00 0.00 ATOM 129 CZ ARG 37 30.716 22.084 18.235 1.00 0.00 ATOM 130 NH1 ARG 37 31.427 21.365 17.382 1.00 0.00 ATOM 131 NH2 ARG 37 30.581 21.617 19.460 1.00 0.00 ATOM 132 O ARG 37 24.995 25.628 17.695 1.00 0.00 ATOM 133 C ARG 37 25.895 26.346 17.257 1.00 0.00 ATOM 134 N ASP 38 26.057 26.614 15.974 1.00 0.00 ATOM 135 CA ASP 38 25.187 26.000 14.960 1.00 0.00 ATOM 136 CB ASP 38 25.377 26.679 13.618 1.00 0.00 ATOM 137 CG ASP 38 24.413 26.239 12.515 1.00 0.00 ATOM 138 OD1 ASP 38 23.642 25.295 12.779 1.00 0.00 ATOM 139 OD2 ASP 38 24.555 26.772 11.402 1.00 0.00 ATOM 140 O ASP 38 26.666 24.163 14.512 1.00 0.00 ATOM 141 C ASP 38 25.532 24.521 14.806 1.00 0.00 ATOM 142 N THR 39 24.552 23.679 15.084 1.00 0.00 ATOM 143 CA THR 39 24.725 22.223 14.900 1.00 0.00 ATOM 144 CB THR 39 23.535 21.376 15.370 1.00 0.00 ATOM 145 CG2 THR 39 23.267 21.602 16.854 1.00 0.00 ATOM 146 OG1 THR 39 22.382 21.657 14.580 1.00 0.00 ATOM 147 O THR 39 25.820 20.915 13.237 1.00 0.00 ATOM 148 C THR 39 25.034 21.834 13.448 1.00 0.00 ATOM 149 N ASN 40 24.585 22.647 12.496 1.00 0.00 ATOM 150 CA ASN 40 24.856 22.378 11.070 1.00 0.00 ATOM 151 CB ASN 40 24.110 23.360 10.169 1.00 0.00 ATOM 152 CG ASN 40 22.617 23.080 10.172 1.00 0.00 ATOM 153 ND2 ASN 40 21.869 24.067 9.772 1.00 0.00 ATOM 154 OD1 ASN 40 22.115 21.995 10.427 1.00 0.00 ATOM 155 O ASN 40 26.840 21.506 10.053 1.00 0.00 ATOM 156 C ASN 40 26.349 22.399 10.718 1.00 0.00 ATOM 157 N MET 41 27.067 23.347 11.309 1.00 0.00 ATOM 158 CA MET 41 28.480 23.599 10.939 1.00 0.00 ATOM 159 CB MET 41 28.605 24.923 10.171 1.00 0.00 ATOM 160 CG MET 41 27.870 24.908 8.828 1.00 0.00 ATOM 161 SD MET 41 28.038 26.485 7.926 1.00 0.00 ATOM 162 CE MET 41 29.731 26.350 7.398 1.00 0.00 ATOM 163 O MET 41 30.696 23.687 11.883 1.00 0.00 ATOM 164 C MET 41 29.495 23.588 12.096 1.00 0.00 ATOM 165 N GLY 42 28.971 23.594 13.317 1.00 0.00 ATOM 166 CA GLY 42 29.771 23.672 14.558 1.00 0.00 ATOM 167 O GLY 42 31.420 25.174 15.466 1.00 0.00 ATOM 168 C GLY 42 30.476 25.034 14.691 1.00 0.00 ATOM 169 N ALA 43 29.893 26.018 14.022 1.00 0.00 ATOM 170 CA ALA 43 30.413 27.384 14.076 1.00 0.00 ATOM 171 CB ALA 43 30.448 27.947 12.668 1.00 0.00 ATOM 172 O ALA 43 28.321 27.865 15.147 1.00 0.00 ATOM 173 C ALA 43 29.473 28.214 14.944 1.00 0.00 ATOM 174 N TRP 44 30.072 29.222 15.563 1.00 0.00 ATOM 175 CA TRP 44 29.324 30.121 16.443 1.00 0.00 ATOM 176 CB TRP 44 30.258 30.662 17.541 1.00 0.00 ATOM 177 CG TRP 44 30.939 29.552 18.372 1.00 0.00 ATOM 178 CD1 TRP 44 32.039 28.895 18.031 1.00 0.00 ATOM 179 CD2 TRP 44 30.534 29.066 19.611 1.00 0.00 ATOM 180 CE2 TRP 44 31.460 28.099 19.962 1.00 0.00 ATOM 181 CE3 TRP 44 29.481 29.347 20.469 1.00 0.00 ATOM 182 NE1 TRP 44 32.358 28.023 18.988 1.00 0.00 ATOM 183 CZ2 TRP 44 31.353 27.403 21.169 1.00 0.00 ATOM 184 CZ3 TRP 44 29.364 28.661 21.677 1.00 0.00 ATOM 185 CH2 TRP 44 30.289 27.684 22.017 1.00 0.00 ATOM 186 O TRP 44 29.389 31.822 14.749 1.00 0.00 ATOM 187 C TRP 44 28.702 31.251 15.600 1.00 0.00 ATOM 188 N PHE 45 27.411 31.463 15.788 1.00 0.00 ATOM 189 CA PHE 45 26.655 32.510 15.060 1.00 0.00 ATOM 190 CB PHE 45 25.574 31.853 14.217 1.00 0.00 ATOM 191 CG PHE 45 26.150 30.992 13.097 1.00 0.00 ATOM 192 CD1 PHE 45 26.313 31.540 11.832 1.00 0.00 ATOM 193 CD2 PHE 45 26.538 29.692 13.346 1.00 0.00 ATOM 194 CE1 PHE 45 26.834 30.767 10.808 1.00 0.00 ATOM 195 CE2 PHE 45 27.069 28.929 12.322 1.00 0.00 ATOM 196 CZ PHE 45 27.202 29.457 11.048 1.00 0.00 ATOM 197 O PHE 45 25.661 32.973 17.172 1.00 0.00 ATOM 198 C PHE 45 25.953 33.425 16.068 1.00 0.00 ATOM 199 N GLU 46 25.719 34.678 15.698 1.00 0.00 ATOM 200 CA GLU 46 24.846 35.549 16.514 1.00 0.00 ATOM 201 CB GLU 46 24.958 37.003 16.052 1.00 0.00 ATOM 202 CG GLU 46 24.139 37.972 16.928 1.00 0.00 ATOM 203 CD GLU 46 24.232 39.436 16.497 1.00 0.00 ATOM 204 OE1 GLU 46 25.024 39.729 15.571 1.00 0.00 ATOM 205 OE2 GLU 46 23.645 40.278 17.226 1.00 0.00 ATOM 206 O GLU 46 22.936 34.566 15.366 1.00 0.00 ATOM 207 C GLU 46 23.385 35.062 16.399 1.00 0.00 ATOM 208 N ALA 47 22.697 35.112 17.530 1.00 0.00 ATOM 209 CA ALA 47 21.266 34.749 17.597 1.00 0.00 ATOM 210 CB ALA 47 21.058 33.324 18.116 1.00 0.00 ATOM 211 O ALA 47 20.959 36.399 19.338 1.00 0.00 ATOM 212 C ALA 47 20.440 35.646 18.522 1.00 0.00 ATOM 213 N GLN 48 19.128 35.510 18.359 1.00 0.00 ATOM 214 CA GLN 48 18.164 36.016 19.349 1.00 0.00 ATOM 215 CB GLN 48 17.282 37.177 18.872 1.00 0.00 ATOM 216 CG GLN 48 18.038 38.379 18.316 1.00 0.00 ATOM 217 CD GLN 48 17.064 39.346 17.638 1.00 0.00 ATOM 218 OE1 GLN 48 15.934 39.592 18.018 1.00 0.00 ATOM 219 NE2 GLN 48 17.527 39.887 16.547 1.00 0.00 ATOM 220 O GLN 48 16.801 34.055 18.963 1.00 0.00 ATOM 221 C GLN 48 17.230 34.878 19.776 1.00 0.00 ATOM 222 N VAL 49 16.991 34.810 21.080 1.00 0.00 ATOM 223 CA VAL 49 16.116 33.778 21.657 1.00 0.00 ATOM 224 CB VAL 49 16.240 33.711 23.191 1.00 0.00 ATOM 225 CG1 VAL 49 15.317 32.658 23.791 1.00 0.00 ATOM 226 CG2 VAL 49 17.674 33.389 23.614 1.00 0.00 ATOM 227 O VAL 49 14.105 35.048 21.756 1.00 0.00 ATOM 228 C VAL 49 14.664 34.079 21.265 1.00 0.00 ATOM 229 N VAL 50 14.012 33.133 20.600 1.00 0.00 ATOM 230 CA VAL 50 12.599 33.294 20.192 1.00 0.00 ATOM 231 CB VAL 50 12.332 32.556 18.871 1.00 0.00 ATOM 232 CG1 VAL 50 10.877 32.688 18.444 1.00 0.00 ATOM 233 CG2 VAL 50 13.174 33.135 17.730 1.00 0.00 ATOM 234 O VAL 50 10.567 33.418 21.479 1.00 0.00 ATOM 235 C VAL 50 11.635 32.837 21.292 1.00 0.00 ATOM 236 N ARG 51 11.953 31.697 21.881 1.00 0.00 ATOM 237 CA ARG 51 11.116 31.080 22.920 1.00 0.00 ATOM 238 CB ARG 51 9.976 30.256 22.306 1.00 0.00 ATOM 239 CG ARG 51 10.522 29.149 21.390 1.00 0.00 ATOM 240 CD ARG 51 9.402 28.335 20.766 1.00 0.00 ATOM 241 NE ARG 51 8.753 27.498 21.787 1.00 0.00 ATOM 242 CZ ARG 51 7.735 26.691 21.558 1.00 0.00 ATOM 243 NH1 ARG 51 7.195 26.004 22.538 1.00 0.00 ATOM 244 NH2 ARG 51 7.237 26.500 20.347 1.00 0.00 ATOM 245 O ARG 51 13.014 29.690 23.505 1.00 0.00 ATOM 246 C ARG 51 11.964 30.216 23.859 1.00 0.00 ATOM 247 N VAL 52 11.438 30.083 25.056 1.00 0.00 ATOM 248 CA VAL 52 12.045 29.296 26.141 1.00 0.00 ATOM 249 CB VAL 52 12.346 30.188 27.354 1.00 0.00 ATOM 250 CG1 VAL 52 13.082 29.380 28.421 1.00 0.00 ATOM 251 CG2 VAL 52 13.044 31.505 26.996 1.00 0.00 ATOM 252 O VAL 52 9.915 28.604 26.978 1.00 0.00 ATOM 253 C VAL 52 11.033 28.248 26.585 1.00 0.00 ATOM 254 N THR 53 11.529 27.038 26.791 1.00 0.00 ATOM 255 CA THR 53 10.724 25.956 27.363 1.00 0.00 ATOM 256 CB THR 53 10.566 24.785 26.404 1.00 0.00 ATOM 257 CG2 THR 53 9.623 23.742 27.005 1.00 0.00 ATOM 258 OG1 THR 53 10.069 25.286 25.154 1.00 0.00 ATOM 259 O THR 53 12.216 24.604 28.743 1.00 0.00 ATOM 260 C THR 53 11.424 25.522 28.654 1.00 0.00 ATOM 261 N ARG 54 11.013 26.254 29.671 1.00 0.00 ATOM 262 CA ARG 54 11.568 26.289 31.025 1.00 0.00 ATOM 263 CB ARG 54 10.754 27.351 31.803 1.00 0.00 ATOM 264 CG ARG 54 10.019 28.354 30.902 1.00 0.00 ATOM 265 CD ARG 54 9.561 29.617 31.587 1.00 0.00 ATOM 266 NE ARG 54 9.899 30.742 30.712 1.00 0.00 ATOM 267 CZ ARG 54 11.076 31.363 30.756 1.00 0.00 ATOM 268 NH1 ARG 54 11.324 32.318 29.890 1.00 0.00 ATOM 269 NH2 ARG 54 11.969 31.138 31.713 1.00 0.00 ATOM 270 O ARG 54 12.374 24.433 32.367 1.00 0.00 ATOM 271 C ARG 54 11.450 24.918 31.721 1.00 0.00 ATOM 272 N LYS 55 10.312 24.293 31.483 1.00 0.00 ATOM 273 CA LYS 55 9.953 23.044 32.166 1.00 0.00 ATOM 274 CB LYS 55 8.505 22.650 31.912 1.00 0.00 ATOM 275 CG LYS 55 7.581 23.573 32.693 1.00 0.00 ATOM 276 CD LYS 55 6.143 23.169 32.438 1.00 0.00 ATOM 277 CE LYS 55 5.271 24.090 33.266 1.00 0.00 ATOM 278 NZ LYS 55 3.907 23.674 33.087 1.00 0.00 ATOM 279 O LYS 55 11.024 20.989 32.706 1.00 0.00 ATOM 280 C LYS 55 10.841 21.847 31.840 1.00 0.00 ATOM 281 N ALA 56 11.252 21.723 30.581 1.00 0.00 ATOM 282 CA ALA 56 11.912 20.492 30.127 1.00 0.00 ATOM 283 CB ALA 56 10.893 19.339 30.087 1.00 0.00 ATOM 284 O ALA 56 12.009 21.477 27.967 1.00 0.00 ATOM 285 C ALA 56 12.507 20.640 28.726 1.00 0.00 ATOM 286 N PRO 57 13.475 19.805 28.367 1.00 0.00 ATOM 287 CA PRO 57 14.094 19.901 27.043 1.00 0.00 ATOM 288 CB PRO 57 15.315 19.001 27.099 1.00 0.00 ATOM 289 CG PRO 57 15.054 18.087 28.278 1.00 0.00 ATOM 290 CD PRO 57 14.241 18.912 29.260 1.00 0.00 ATOM 291 O PRO 57 12.448 20.640 25.453 1.00 0.00 ATOM 292 C PRO 57 13.175 19.724 25.826 1.00 0.00 ATOM 293 N SER 58 13.358 18.655 25.052 1.00 0.00 ATOM 294 CA SER 58 12.559 18.447 23.837 1.00 0.00 ATOM 295 CB SER 58 13.267 19.090 22.625 1.00 0.00 ATOM 296 OG SER 58 14.511 18.439 22.367 1.00 0.00 ATOM 297 O SER 58 12.531 16.183 24.610 1.00 0.00 ATOM 298 C SER 58 12.323 16.953 23.673 1.00 0.00 ATOM 299 N ARG 59 12.033 16.572 22.435 1.00 0.00 ATOM 300 CA ARG 59 11.699 15.173 22.130 1.00 0.00 ATOM 301 CB ARG 59 11.367 15.049 20.661 1.00 0.00 ATOM 302 CG ARG 59 10.012 15.677 20.374 1.00 0.00 ATOM 303 CD ARG 59 9.820 15.483 18.886 1.00 0.00 ATOM 304 NE ARG 59 8.550 16.083 18.513 1.00 0.00 ATOM 305 CZ ARG 59 8.152 16.163 17.265 1.00 0.00 ATOM 306 NH1 ARG 59 7.027 16.719 16.992 1.00 0.00 ATOM 307 NH2 ARG 59 8.795 15.619 16.261 1.00 0.00 ATOM 308 O ARG 59 13.966 14.788 22.786 1.00 0.00 ATOM 309 C ARG 59 12.894 14.275 22.458 1.00 0.00 ATOM 310 N ASP 60 12.732 12.994 22.167 1.00 0.00 ATOM 311 CA ASP 60 13.845 12.023 22.277 1.00 0.00 ATOM 312 CB ASP 60 13.263 10.614 22.366 1.00 0.00 ATOM 313 CG ASP 60 14.244 9.608 22.992 1.00 0.00 ATOM 314 OD1 ASP 60 15.053 10.057 23.834 1.00 0.00 ATOM 315 OD2 ASP 60 14.009 8.383 22.837 1.00 0.00 ATOM 316 O ASP 60 15.118 11.263 20.340 1.00 0.00 ATOM 317 C ASP 60 14.801 12.204 21.068 1.00 0.00 ATOM 318 N GLU 61 15.134 13.460 20.807 1.00 0.00 ATOM 319 CA GLU 61 15.944 13.880 19.654 1.00 0.00 ATOM 320 CB GLU 61 15.191 14.921 18.815 1.00 0.00 ATOM 321 CG GLU 61 13.859 14.375 18.300 1.00 0.00 ATOM 322 CD GLU 61 14.085 13.034 17.605 1.00 0.00 ATOM 323 OE1 GLU 61 13.463 12.054 18.040 1.00 0.00 ATOM 324 OE2 GLU 61 14.810 13.060 16.594 1.00 0.00 ATOM 325 O GLU 61 17.361 15.692 20.333 1.00 0.00 ATOM 326 C GLU 61 17.266 14.467 20.150 1.00 0.00 ATOM 327 N PRO 62 18.284 13.614 20.349 1.00 0.00 ATOM 328 CA PRO 62 19.578 14.029 20.902 1.00 0.00 ATOM 329 CB PRO 62 20.461 12.785 20.846 1.00 0.00 ATOM 330 CG PRO 62 19.448 11.703 21.108 1.00 0.00 ATOM 331 CD PRO 62 18.253 12.156 20.266 1.00 0.00 ATOM 332 O PRO 62 20.774 14.998 19.063 1.00 0.00 ATOM 333 C PRO 62 20.223 15.169 20.140 1.00 0.00 ATOM 334 N CYS 63 20.109 16.353 20.704 1.00 0.00 ATOM 335 CA CYS 63 20.775 17.546 20.153 1.00 0.00 ATOM 336 CB CYS 63 20.216 18.811 20.803 1.00 0.00 ATOM 337 SG CYS 63 18.400 18.859 20.564 1.00 0.00 ATOM 338 O CYS 63 22.894 16.816 19.393 1.00 0.00 ATOM 339 C CYS 63 22.277 17.321 20.334 1.00 0.00 ATOM 340 N SER 64 22.646 17.230 21.604 1.00 0.00 ATOM 341 CA SER 64 23.993 16.857 22.090 1.00 0.00 ATOM 342 CB SER 64 25.203 16.958 21.135 1.00 0.00 ATOM 343 OG SER 64 25.172 18.125 20.291 1.00 0.00 ATOM 344 O SER 64 24.987 18.590 23.441 1.00 0.00 ATOM 345 C SER 64 24.298 17.576 23.388 1.00 0.00 ATOM 346 N SER 65 23.912 16.886 24.450 1.00 0.00 ATOM 347 CA SER 65 24.318 17.313 25.783 1.00 0.00 ATOM 348 CB SER 65 23.251 16.929 26.802 1.00 0.00 ATOM 349 OG SER 65 23.116 15.532 27.027 1.00 0.00 ATOM 350 O SER 65 26.151 16.906 27.284 1.00 0.00 ATOM 351 C SER 65 25.698 16.753 26.151 1.00 0.00 ATOM 352 N THR 66 26.360 16.179 25.136 1.00 0.00 ATOM 353 CA THR 66 27.695 15.528 25.233 1.00 0.00 ATOM 354 CB THR 66 28.835 16.533 25.482 1.00 0.00 ATOM 355 CG2 THR 66 28.852 17.625 24.432 1.00 0.00 ATOM 356 OG1 THR 66 28.728 17.176 26.760 1.00 0.00 ATOM 357 O THR 66 28.654 14.364 27.109 1.00 0.00 ATOM 358 C THR 66 27.719 14.434 26.310 1.00 0.00 ATOM 359 N SER 67 26.618 13.688 26.398 1.00 0.00 ATOM 360 CA SER 67 26.391 12.657 27.451 1.00 0.00 ATOM 361 CB SER 67 27.378 11.496 27.281 1.00 0.00 ATOM 362 OG SER 67 27.125 10.895 26.014 1.00 0.00 ATOM 363 O SER 67 26.373 12.464 29.871 1.00 0.00 ATOM 364 C SER 67 26.452 13.194 28.887 1.00 0.00 ATOM 365 N ARG 68 26.413 14.522 28.980 1.00 0.00 ATOM 366 CA ARG 68 26.346 15.254 30.238 1.00 0.00 ATOM 367 CB ARG 68 27.276 16.452 30.124 1.00 0.00 ATOM 368 CG ARG 68 28.744 16.075 30.072 1.00 0.00 ATOM 369 CD ARG 68 29.512 17.351 29.728 1.00 0.00 ATOM 370 NE ARG 68 30.956 17.215 29.956 1.00 0.00 ATOM 371 CZ ARG 68 31.814 16.511 29.226 1.00 0.00 ATOM 372 NH1 ARG 68 31.456 15.723 28.230 1.00 0.00 ATOM 373 NH2 ARG 68 33.100 16.655 29.471 1.00 0.00 ATOM 374 O ARG 68 24.583 16.697 29.567 1.00 0.00 ATOM 375 C ARG 68 24.899 15.752 30.293 1.00 0.00 ATOM 376 N PRO 69 24.024 15.055 31.021 1.00 0.00 ATOM 377 CA PRO 69 22.575 15.353 31.059 1.00 0.00 ATOM 378 CB PRO 69 21.961 14.184 31.818 1.00 0.00 ATOM 379 CG PRO 69 23.090 13.749 32.725 1.00 0.00 ATOM 380 CD PRO 69 24.358 13.926 31.909 1.00 0.00 ATOM 381 O PRO 69 21.105 16.868 32.238 1.00 0.00 ATOM 382 C PRO 69 22.186 16.687 31.692 1.00 0.00 ATOM 383 N ALA 70 23.017 17.691 31.427 1.00 0.00 ATOM 384 CA ALA 70 22.647 19.066 31.680 1.00 0.00 ATOM 385 CB ALA 70 23.908 19.936 31.768 1.00 0.00 ATOM 386 O ALA 70 20.752 20.318 31.351 1.00 0.00 ATOM 387 C ALA 70 21.509 19.580 30.786 1.00 0.00 ATOM 388 N LEU 71 21.366 19.200 29.500 1.00 0.00 ATOM 389 CA LEU 71 20.280 19.428 28.484 1.00 0.00 ATOM 390 CB LEU 71 20.667 19.181 26.982 1.00 0.00 ATOM 391 CG LEU 71 19.642 19.273 25.809 1.00 0.00 ATOM 392 CD1 LEU 71 19.102 20.665 25.530 1.00 0.00 ATOM 393 CD2 LEU 71 20.156 18.780 24.463 1.00 0.00 ATOM 394 O LEU 71 17.951 19.099 28.601 1.00 0.00 ATOM 395 C LEU 71 19.047 18.568 28.725 1.00 0.00 ATOM 396 N GLU 72 19.263 17.270 28.934 1.00 0.00 ATOM 397 CA GLU 72 18.190 16.344 29.345 1.00 0.00 ATOM 398 CB GLU 72 18.742 14.959 29.683 1.00 0.00 ATOM 399 CG GLU 72 18.961 14.115 28.443 1.00 0.00 ATOM 400 CD GLU 72 19.475 12.720 28.803 1.00 0.00 ATOM 401 OE1 GLU 72 19.421 11.888 27.889 1.00 0.00 ATOM 402 OE2 GLU 72 20.113 12.544 29.865 1.00 0.00 ATOM 403 O GLU 72 16.240 16.777 30.648 1.00 0.00 ATOM 404 C GLU 72 17.459 16.841 30.593 1.00 0.00 ATOM 405 N GLU 73 18.230 17.520 31.443 1.00 0.00 ATOM 406 CA GLU 73 17.660 18.016 32.702 1.00 0.00 ATOM 407 CB GLU 73 18.170 17.127 33.859 1.00 0.00 ATOM 408 CG GLU 73 18.064 15.592 33.688 1.00 0.00 ATOM 409 CD GLU 73 16.671 15.021 33.356 1.00 0.00 ATOM 410 OE1 GLU 73 15.662 15.677 33.712 1.00 0.00 ATOM 411 OE2 GLU 73 16.576 13.897 32.825 1.00 0.00 ATOM 412 O GLU 73 17.327 19.876 34.130 1.00 0.00 ATOM 413 C GLU 73 17.735 19.536 33.025 1.00 0.00 ATOM 414 N ASP 74 18.038 20.454 32.075 1.00 0.00 ATOM 415 CA ASP 74 17.997 21.938 32.303 1.00 0.00 ATOM 416 CB ASP 74 19.386 22.562 32.547 1.00 0.00 ATOM 417 CG ASP 74 19.697 23.007 33.986 1.00 0.00 ATOM 418 OD1 ASP 74 19.085 22.462 34.925 1.00 0.00 ATOM 419 OD2 ASP 74 20.571 23.887 34.135 1.00 0.00 ATOM 420 O ASP 74 16.398 22.293 30.498 1.00 0.00 ATOM 421 C ASP 74 17.232 22.785 31.249 1.00 0.00 ATOM 422 N VAL 75 17.470 24.114 31.266 1.00 0.00 ATOM 423 CA VAL 75 16.766 25.095 30.403 1.00 0.00 ATOM 424 CB VAL 75 17.106 26.541 30.819 1.00 0.00 ATOM 425 CG1 VAL 75 16.307 27.590 30.044 1.00 0.00 ATOM 426 CG2 VAL 75 16.808 26.748 32.295 1.00 0.00 ATOM 427 O VAL 75 18.201 24.905 28.455 1.00 0.00 ATOM 428 C VAL 75 17.063 24.848 28.906 1.00 0.00 ATOM 429 N ILE 76 15.961 24.868 28.166 1.00 0.00 ATOM 430 CA ILE 76 16.000 24.702 26.696 1.00 0.00 ATOM 431 CB ILE 76 15.408 23.358 26.246 1.00 0.00 ATOM 432 CG1 ILE 76 15.625 23.153 24.735 1.00 0.00 ATOM 433 CG2 ILE 76 13.948 23.235 26.653 1.00 0.00 ATOM 434 CD1 ILE 76 15.319 21.750 24.208 1.00 0.00 ATOM 435 O ILE 76 14.168 26.273 26.393 1.00 0.00 ATOM 436 C ILE 76 15.278 25.887 26.030 1.00 0.00 ATOM 437 N TYR 77 15.954 26.344 24.995 1.00 0.00 ATOM 438 CA TYR 77 15.493 27.463 24.153 1.00 0.00 ATOM 439 CB TYR 77 16.527 28.589 24.111 1.00 0.00 ATOM 440 CG TYR 77 16.755 29.166 25.478 1.00 0.00 ATOM 441 CD1 TYR 77 15.915 30.147 25.965 1.00 0.00 ATOM 442 CD2 TYR 77 17.844 28.717 26.187 1.00 0.00 ATOM 443 CE1 TYR 77 16.167 30.698 27.211 1.00 0.00 ATOM 444 CE2 TYR 77 18.054 29.299 27.415 1.00 0.00 ATOM 445 CZ TYR 77 17.246 30.259 27.940 1.00 0.00 ATOM 446 OH TYR 77 17.507 30.659 29.190 1.00 0.00 ATOM 447 O TYR 77 16.132 26.217 22.226 1.00 0.00 ATOM 448 C TYR 77 15.401 27.088 22.693 1.00 0.00 ATOM 449 N HIS 78 14.735 27.994 21.986 1.00 0.00 ATOM 450 CA HIS 78 14.846 28.098 20.520 1.00 0.00 ATOM 451 CB HIS 78 13.495 27.937 19.828 1.00 0.00 ATOM 452 CG HIS 78 12.823 26.592 20.114 1.00 0.00 ATOM 453 CD2 HIS 78 12.611 25.589 19.253 1.00 0.00 ATOM 454 ND1 HIS 78 12.285 26.240 21.275 1.00 0.00 ATOM 455 CE1 HIS 78 11.781 25.027 21.145 1.00 0.00 ATOM 456 NE2 HIS 78 11.971 24.613 19.900 1.00 0.00 ATOM 457 O HIS 78 14.984 30.504 20.647 1.00 0.00 ATOM 458 C HIS 78 15.454 29.465 20.178 1.00 0.00 ATOM 459 N VAL 79 16.523 29.421 19.407 1.00 0.00 ATOM 460 CA VAL 79 17.228 30.660 19.006 1.00 0.00 ATOM 461 CB VAL 79 18.626 30.802 19.645 1.00 0.00 ATOM 462 CG1 VAL 79 18.559 30.666 21.167 1.00 0.00 ATOM 463 CG2 VAL 79 19.692 29.862 19.077 1.00 0.00 ATOM 464 O VAL 79 17.320 29.868 16.722 1.00 0.00 ATOM 465 C VAL 79 17.216 30.836 17.489 1.00 0.00 ATOM 466 N LYS 80 17.018 32.071 17.066 1.00 0.00 ATOM 467 CA LYS 80 16.991 32.394 15.635 1.00 0.00 ATOM 468 CB LYS 80 15.786 33.292 15.318 1.00 0.00 ATOM 469 CG LYS 80 15.658 33.667 13.853 1.00 0.00 ATOM 470 CD LYS 80 14.522 34.670 13.696 1.00 0.00 ATOM 471 CE LYS 80 14.486 35.154 12.260 1.00 0.00 ATOM 472 NZ LYS 80 13.461 36.185 12.117 1.00 0.00 ATOM 473 O LYS 80 18.782 33.988 15.826 1.00 0.00 ATOM 474 C LYS 80 18.314 33.019 15.221 1.00 0.00 ATOM 475 N TYR 81 18.928 32.364 14.246 1.00 0.00 ATOM 476 CA TYR 81 20.222 32.813 13.698 1.00 0.00 ATOM 477 CB TYR 81 20.824 31.808 12.712 1.00 0.00 ATOM 478 CG TYR 81 21.196 30.505 13.393 1.00 0.00 ATOM 479 CD1 TYR 81 20.374 29.403 13.284 1.00 0.00 ATOM 480 CD2 TYR 81 22.396 30.396 14.096 1.00 0.00 ATOM 481 CE1 TYR 81 20.750 28.203 13.848 1.00 0.00 ATOM 482 CE2 TYR 81 22.773 29.195 14.679 1.00 0.00 ATOM 483 CZ TYR 81 21.949 28.084 14.550 1.00 0.00 ATOM 484 OH TYR 81 22.259 26.932 15.179 1.00 0.00 ATOM 485 O TYR 81 19.294 34.221 11.988 1.00 0.00 ATOM 486 C TYR 81 20.038 34.147 12.967 1.00 0.00 ATOM 487 N ASP 82 20.607 35.185 13.569 1.00 0.00 ATOM 488 CA ASP 82 20.541 36.534 12.983 1.00 0.00 ATOM 489 CB ASP 82 21.382 37.524 13.809 1.00 0.00 ATOM 490 CG ASP 82 21.229 38.952 13.280 1.00 0.00 ATOM 491 OD1 ASP 82 20.351 39.154 12.402 1.00 0.00 ATOM 492 OD2 ASP 82 21.653 39.878 13.986 1.00 0.00 ATOM 493 O ASP 82 22.126 36.066 11.248 1.00 0.00 ATOM 494 C ASP 82 21.042 36.575 11.524 1.00 0.00 ATOM 495 N ASP 83 20.112 36.898 10.623 1.00 0.00 ATOM 496 CA ASP 83 20.395 37.090 9.180 1.00 0.00 ATOM 497 CB ASP 83 21.636 37.961 8.908 1.00 0.00 ATOM 498 CG ASP 83 21.588 39.333 9.554 1.00 0.00 ATOM 499 OD1 ASP 83 20.486 39.931 9.503 1.00 0.00 ATOM 500 OD2 ASP 83 22.685 39.752 9.998 1.00 0.00 ATOM 501 O ASP 83 21.024 35.814 7.253 1.00 0.00 ATOM 502 C ASP 83 20.678 35.791 8.433 1.00 0.00 ATOM 503 N TYR 84 20.418 34.662 9.074 1.00 0.00 ATOM 504 CA TYR 84 20.527 33.340 8.437 1.00 0.00 ATOM 505 CB TYR 84 21.698 32.554 9.040 1.00 0.00 ATOM 506 CG TYR 84 23.046 33.270 8.908 1.00 0.00 ATOM 507 CD1 TYR 84 23.611 33.873 10.028 1.00 0.00 ATOM 508 CD2 TYR 84 23.721 33.312 7.700 1.00 0.00 ATOM 509 CE1 TYR 84 24.840 34.498 9.929 1.00 0.00 ATOM 510 CE2 TYR 84 24.960 33.918 7.601 1.00 0.00 ATOM 511 CZ TYR 84 25.515 34.511 8.721 1.00 0.00 ATOM 512 OH TYR 84 26.757 35.014 8.678 1.00 0.00 ATOM 513 O TYR 84 19.166 31.421 8.993 1.00 0.00 ATOM 514 C TYR 84 19.197 32.575 8.546 1.00 0.00 ATOM 515 N PRO 85 18.068 33.214 8.167 1.00 0.00 ATOM 516 CA PRO 85 16.722 32.617 8.332 1.00 0.00 ATOM 517 CB PRO 85 15.762 33.632 7.725 1.00 0.00 ATOM 518 CG PRO 85 16.596 34.291 6.627 1.00 0.00 ATOM 519 CD PRO 85 17.975 34.392 7.286 1.00 0.00 ATOM 520 O PRO 85 15.642 30.503 7.996 1.00 0.00 ATOM 521 C PRO 85 16.537 31.269 7.630 1.00 0.00 ATOM 522 N GLU 86 17.340 31.035 6.597 1.00 0.00 ATOM 523 CA GLU 86 17.260 29.809 5.792 1.00 0.00 ATOM 524 CB GLU 86 18.155 29.911 4.564 1.00 0.00 ATOM 525 CG GLU 86 17.915 31.034 3.559 1.00 0.00 ATOM 526 CD GLU 86 18.593 32.348 3.953 1.00 0.00 ATOM 527 OE1 GLU 86 19.107 32.481 5.081 1.00 0.00 ATOM 528 OE2 GLU 86 18.618 33.206 3.046 1.00 0.00 ATOM 529 O GLU 86 17.181 27.457 6.185 1.00 0.00 ATOM 530 C GLU 86 17.607 28.543 6.566 1.00 0.00 ATOM 531 N ASN 87 18.350 28.685 7.672 1.00 0.00 ATOM 532 CA ASN 87 18.720 27.517 8.497 1.00 0.00 ATOM 533 CB ASN 87 20.016 27.756 9.275 1.00 0.00 ATOM 534 CG ASN 87 21.215 27.707 8.327 1.00 0.00 ATOM 535 ND2 ASN 87 22.262 28.378 8.721 1.00 0.00 ATOM 536 OD1 ASN 87 21.246 27.057 7.293 1.00 0.00 ATOM 537 O ASN 87 17.825 25.946 10.031 1.00 0.00 ATOM 538 C ASN 87 17.637 27.005 9.433 1.00 0.00 ATOM 539 N GLY 88 16.535 27.740 9.536 1.00 0.00 ATOM 540 CA GLY 88 15.433 27.428 10.468 1.00 0.00 ATOM 541 O GLY 88 16.907 26.686 12.218 1.00 0.00 ATOM 542 C GLY 88 15.972 27.401 11.901 1.00 0.00 ATOM 543 N VAL 89 15.540 28.360 12.715 1.00 0.00 ATOM 544 CA VAL 89 15.940 28.434 14.148 1.00 0.00 ATOM 545 CB VAL 89 14.869 29.085 15.019 1.00 0.00 ATOM 546 CG1 VAL 89 14.436 30.444 14.493 1.00 0.00 ATOM 547 CG2 VAL 89 13.587 28.270 15.094 1.00 0.00 ATOM 548 O VAL 89 15.534 26.067 14.439 1.00 0.00 ATOM 549 C VAL 89 16.217 27.043 14.752 1.00 0.00 ATOM 550 N VAL 90 17.016 27.066 15.801 1.00 0.00 ATOM 551 CA VAL 90 17.407 25.813 16.463 1.00 0.00 ATOM 552 CB VAL 90 18.883 25.512 16.202 1.00 0.00 ATOM 553 CG1 VAL 90 19.121 25.215 14.717 1.00 0.00 ATOM 554 CG2 VAL 90 19.770 26.630 16.759 1.00 0.00 ATOM 555 O VAL 90 17.231 26.819 18.647 1.00 0.00 ATOM 556 C VAL 90 17.139 25.799 17.970 1.00 0.00 ATOM 557 N GLN 91 16.970 24.585 18.473 1.00 0.00 ATOM 558 CA GLN 91 16.858 24.362 19.915 1.00 0.00 ATOM 559 CB GLN 91 16.178 23.046 20.232 1.00 0.00 ATOM 560 CG GLN 91 14.811 23.044 19.586 1.00 0.00 ATOM 561 CD GLN 91 13.957 21.941 20.180 1.00 0.00 ATOM 562 OE1 GLN 91 13.864 20.836 19.670 1.00 0.00 ATOM 563 NE2 GLN 91 13.390 22.210 21.321 1.00 0.00 ATOM 564 O GLN 91 19.080 23.485 19.967 1.00 0.00 ATOM 565 C GLN 91 18.271 24.246 20.475 1.00 0.00 ATOM 566 N MET 92 18.512 24.982 21.537 1.00 0.00 ATOM 567 CA MET 92 19.829 24.955 22.175 1.00 0.00 ATOM 568 CB MET 92 20.532 26.279 21.907 1.00 0.00 ATOM 569 CG MET 92 20.761 26.483 20.408 1.00 0.00 ATOM 570 SD MET 92 21.763 25.160 19.621 1.00 0.00 ATOM 571 CE MET 92 23.228 25.553 20.545 1.00 0.00 ATOM 572 O MET 92 18.621 25.090 24.229 1.00 0.00 ATOM 573 C MET 92 19.639 24.691 23.660 1.00 0.00 ATOM 574 N ASN 93 20.579 23.957 24.238 1.00 0.00 ATOM 575 CA ASN 93 20.659 23.962 25.696 1.00 0.00 ATOM 576 CB ASN 93 21.663 22.930 26.201 1.00 0.00 ATOM 577 CG ASN 93 21.656 22.834 27.721 1.00 0.00 ATOM 578 ND2 ASN 93 22.097 21.707 28.184 1.00 0.00 ATOM 579 OD1 ASN 93 21.222 23.663 28.502 1.00 0.00 ATOM 580 O ASN 93 22.093 25.888 25.567 1.00 0.00 ATOM 581 C ASN 93 21.129 25.357 26.114 1.00 0.00 ATOM 582 N SER 94 20.445 25.922 27.101 1.00 0.00 ATOM 583 CA SER 94 20.843 27.212 27.680 1.00 0.00 ATOM 584 CB SER 94 20.105 27.447 29.000 1.00 0.00 ATOM 585 OG SER 94 20.649 26.907 30.196 1.00 0.00 ATOM 586 O SER 94 22.987 28.316 27.777 1.00 0.00 ATOM 587 C SER 94 22.333 27.293 28.001 1.00 0.00 ATOM 588 N ARG 95 22.812 26.201 28.603 1.00 0.00 ATOM 589 CA ARG 95 24.191 26.108 29.096 1.00 0.00 ATOM 590 CB ARG 95 24.178 24.918 30.072 1.00 0.00 ATOM 591 CG ARG 95 25.481 24.677 30.825 1.00 0.00 ATOM 592 CD ARG 95 26.197 23.543 30.100 1.00 0.00 ATOM 593 NE ARG 95 27.483 23.285 30.753 1.00 0.00 ATOM 594 CZ ARG 95 28.537 22.808 30.109 1.00 0.00 ATOM 595 NH1 ARG 95 28.484 22.588 28.793 1.00 0.00 ATOM 596 NH2 ARG 95 29.624 22.461 30.781 1.00 0.00 ATOM 597 O ARG 95 26.397 26.491 28.215 1.00 0.00 ATOM 598 C ARG 95 25.251 26.115 27.976 1.00 0.00 ATOM 599 N ASP 96 24.801 25.946 26.723 1.00 0.00 ATOM 600 CA ASP 96 25.667 26.017 25.525 1.00 0.00 ATOM 601 CB ASP 96 25.234 24.981 24.475 1.00 0.00 ATOM 602 CG ASP 96 25.404 23.544 24.973 1.00 0.00 ATOM 603 OD1 ASP 96 26.439 23.238 25.598 1.00 0.00 ATOM 604 OD2 ASP 96 24.411 22.794 24.824 1.00 0.00 ATOM 605 O ASP 96 26.507 27.611 23.905 1.00 0.00 ATOM 606 C ASP 96 25.725 27.388 24.833 1.00 0.00 ATOM 607 N VAL 97 25.019 28.356 25.392 1.00 0.00 ATOM 608 CA VAL 97 24.974 29.704 24.815 1.00 0.00 ATOM 609 CB VAL 97 23.521 30.165 24.758 1.00 0.00 ATOM 610 CG1 VAL 97 23.453 31.545 24.143 1.00 0.00 ATOM 611 CG2 VAL 97 22.660 29.185 23.944 1.00 0.00 ATOM 612 O VAL 97 25.711 30.799 26.842 1.00 0.00 ATOM 613 C VAL 97 25.874 30.644 25.626 1.00 0.00 ATOM 614 N ARG 98 26.860 31.199 24.938 1.00 0.00 ATOM 615 CA ARG 98 27.789 32.186 25.528 1.00 0.00 ATOM 616 CB ARG 98 29.212 32.002 25.014 1.00 0.00 ATOM 617 CG ARG 98 29.796 30.702 25.543 1.00 0.00 ATOM 618 CD ARG 98 31.184 30.581 24.943 1.00 0.00 ATOM 619 NE ARG 98 31.334 29.193 24.501 1.00 0.00 ATOM 620 CZ ARG 98 31.881 28.227 25.243 1.00 0.00 ATOM 621 NH1 ARG 98 32.279 28.457 26.461 1.00 0.00 ATOM 622 NH2 ARG 98 32.072 27.018 24.805 1.00 0.00 ATOM 623 O ARG 98 27.346 34.035 24.046 1.00 0.00 ATOM 624 C ARG 98 27.336 33.590 25.185 1.00 0.00 ATOM 625 N ALA 99 26.866 34.231 26.243 1.00 0.00 ATOM 626 CA ALA 99 26.216 35.539 26.138 1.00 0.00 ATOM 627 CB ALA 99 25.741 35.971 27.500 1.00 0.00 ATOM 628 O ALA 99 28.111 36.984 26.249 1.00 0.00 ATOM 629 C ALA 99 27.085 36.689 25.645 1.00 0.00 ATOM 630 N ARG 100 26.414 37.488 24.834 1.00 0.00 ATOM 631 CA ARG 100 26.889 38.828 24.448 1.00 0.00 ATOM 632 CB ARG 100 26.084 39.289 23.244 1.00 0.00 ATOM 633 CG ARG 100 26.832 40.407 22.536 1.00 0.00 ATOM 634 CD ARG 100 25.928 41.083 21.524 1.00 0.00 ATOM 635 NE ARG 100 25.094 42.006 22.300 1.00 0.00 ATOM 636 CZ ARG 100 24.049 42.657 21.826 1.00 0.00 ATOM 637 NH1 ARG 100 23.523 42.456 20.656 1.00 0.00 ATOM 638 NH2 ARG 100 23.394 43.458 22.587 1.00 0.00 ATOM 639 O ARG 100 27.407 40.692 25.870 1.00 0.00 ATOM 640 C ARG 100 26.606 39.815 25.586 1.00 0.00 ATOM 641 N ALA 101 25.470 39.642 26.255 1.00 0.00 ATOM 642 CA ALA 101 25.074 40.532 27.356 1.00 0.00 ATOM 643 CB ALA 101 23.639 40.190 27.694 1.00 0.00 ATOM 644 O ALA 101 26.292 41.519 29.203 1.00 0.00 ATOM 645 C ALA 101 26.051 40.499 28.554 1.00 0.00 ATOM 646 N ARG 102 26.861 39.431 28.627 1.00 0.00 ATOM 647 CA ARG 102 28.023 39.356 29.543 1.00 0.00 ATOM 648 CB ARG 102 29.098 38.361 29.143 1.00 0.00 ATOM 649 CG ARG 102 28.729 36.914 29.119 1.00 0.00 ATOM 650 CD ARG 102 29.988 36.272 28.569 1.00 0.00 ATOM 651 NE ARG 102 29.716 34.845 28.490 1.00 0.00 ATOM 652 CZ ARG 102 30.633 33.971 28.103 1.00 0.00 ATOM 653 NH1 ARG 102 30.313 32.704 28.041 1.00 0.00 ATOM 654 NH2 ARG 102 31.879 34.333 27.785 1.00 0.00 ATOM 655 O ARG 102 29.502 41.030 30.445 1.00 0.00 ATOM 656 C ARG 102 28.935 40.584 29.450 1.00 0.00 ATOM 657 N THR 103 29.188 40.941 28.195 1.00 0.00 ATOM 658 CA THR 103 30.159 41.929 27.731 1.00 0.00 ATOM 659 CB THR 103 30.054 41.826 26.191 1.00 0.00 ATOM 660 CG2 THR 103 29.260 42.922 25.506 1.00 0.00 ATOM 661 OG1 THR 103 31.278 41.578 25.525 1.00 0.00 ATOM 662 O THR 103 30.663 44.234 28.155 1.00 0.00 ATOM 663 C THR 103 29.879 43.323 28.350 1.00 0.00 ATOM 664 N ILE 104 28.800 43.466 29.125 1.00 0.00 ATOM 665 CA ILE 104 28.427 44.782 29.687 1.00 0.00 ATOM 666 CB ILE 104 26.914 44.811 30.051 1.00 0.00 ATOM 667 CG1 ILE 104 26.082 44.574 28.777 1.00 0.00 ATOM 668 CG2 ILE 104 26.451 46.167 30.619 1.00 0.00 ATOM 669 CD1 ILE 104 24.611 44.196 29.006 1.00 0.00 ATOM 670 O ILE 104 29.295 46.493 31.135 1.00 0.00 ATOM 671 C ILE 104 29.466 45.355 30.690 1.00 0.00 ATOM 672 N ILE 105 30.598 44.680 30.948 1.00 0.00 ATOM 673 CA ILE 105 31.705 45.300 31.708 1.00 0.00 ATOM 674 CB ILE 105 32.859 44.398 32.198 1.00 0.00 ATOM 675 CG1 ILE 105 32.559 44.194 33.691 1.00 0.00 ATOM 676 CG2 ILE 105 34.293 44.945 31.996 1.00 0.00 ATOM 677 CD1 ILE 105 33.508 43.265 34.452 1.00 0.00 ATOM 678 O ILE 105 32.581 46.601 29.866 1.00 0.00 ATOM 679 C ILE 105 32.174 46.578 31.030 1.00 0.00 ATOM 680 N LYS 106 32.042 47.616 31.820 1.00 0.00 ATOM 681 CA LYS 106 32.445 48.957 31.379 1.00 0.00 ATOM 682 CB LYS 106 31.869 50.024 32.284 1.00 0.00 ATOM 683 CG LYS 106 30.355 50.115 32.250 1.00 0.00 ATOM 684 CD LYS 106 29.865 51.127 33.270 1.00 0.00 ATOM 685 CE LYS 106 28.358 51.350 33.169 1.00 0.00 ATOM 686 NZ LYS 106 27.907 52.006 34.396 1.00 0.00 ATOM 687 O LYS 106 34.728 48.345 31.966 1.00 0.00 ATOM 688 C LYS 106 33.967 49.108 31.370 1.00 0.00 ATOM 689 N TRP 107 34.364 50.262 30.843 1.00 0.00 ATOM 690 CA TRP 107 35.784 50.656 30.757 1.00 0.00 ATOM 691 CB TRP 107 35.911 52.082 30.223 1.00 0.00 ATOM 692 CG TRP 107 34.677 52.709 29.578 1.00 0.00 ATOM 693 CD1 TRP 107 33.579 53.189 30.154 1.00 0.00 ATOM 694 CD2 TRP 107 34.523 52.792 28.216 1.00 0.00 ATOM 695 CE2 TRP 107 33.291 53.346 28.000 1.00 0.00 ATOM 696 CE3 TRP 107 35.344 52.428 27.158 1.00 0.00 ATOM 697 NE1 TRP 107 32.747 53.564 29.189 1.00 0.00 ATOM 698 CZ2 TRP 107 32.850 53.559 26.698 1.00 0.00 ATOM 699 CZ3 TRP 107 34.903 52.631 25.856 1.00 0.00 ATOM 700 CH2 TRP 107 33.651 53.196 25.631 1.00 0.00 ATOM 701 O TRP 107 37.599 50.197 32.297 1.00 0.00 ATOM 702 C TRP 107 36.480 50.670 32.122 1.00 0.00 ATOM 703 N GLN 108 35.754 51.216 33.090 1.00 0.00 ATOM 704 CA GLN 108 36.241 51.391 34.472 1.00 0.00 ATOM 705 CB GLN 108 35.276 52.264 35.233 1.00 0.00 ATOM 706 CG GLN 108 35.158 53.634 34.610 1.00 0.00 ATOM 707 CD GLN 108 34.206 54.466 35.439 1.00 0.00 ATOM 708 OE1 GLN 108 33.149 54.087 35.926 1.00 0.00 ATOM 709 NE2 GLN 108 34.491 55.735 35.422 1.00 0.00 ATOM 710 O GLN 108 37.010 50.148 36.355 1.00 0.00 ATOM 711 C GLN 108 36.381 50.114 35.297 1.00 0.00 ATOM 712 N ASP 109 35.884 49.024 34.739 1.00 0.00 ATOM 713 CA ASP 109 35.856 47.722 35.432 1.00 0.00 ATOM 714 CB ASP 109 34.515 47.039 35.144 1.00 0.00 ATOM 715 CG ASP 109 33.324 47.852 35.635 1.00 0.00 ATOM 716 OD1 ASP 109 32.230 47.767 35.041 1.00 0.00 ATOM 717 OD2 ASP 109 33.549 48.623 36.568 1.00 0.00 ATOM 718 O ASP 109 37.026 45.605 35.384 1.00 0.00 ATOM 719 C ASP 109 36.990 46.778 35.001 1.00 0.00 ATOM 720 N LEU 110 37.866 47.249 34.126 1.00 0.00 ATOM 721 CA LEU 110 38.975 46.437 33.599 1.00 0.00 ATOM 722 CB LEU 110 38.861 46.274 32.087 1.00 0.00 ATOM 723 CG LEU 110 37.680 45.415 31.625 1.00 0.00 ATOM 724 CD1 LEU 110 37.527 45.572 30.115 1.00 0.00 ATOM 725 CD2 LEU 110 37.862 43.933 31.970 1.00 0.00 ATOM 726 O LEU 110 40.510 48.291 33.862 1.00 0.00 ATOM 727 C LEU 110 40.336 47.070 33.905 1.00 0.00 ATOM 728 N GLU 111 41.316 46.182 33.954 1.00 0.00 ATOM 729 CA GLU 111 42.696 46.585 34.232 1.00 0.00 ATOM 730 CB GLU 111 43.156 46.012 35.552 1.00 0.00 ATOM 731 CG GLU 111 42.362 46.571 36.734 1.00 0.00 ATOM 732 CD GLU 111 42.832 45.938 38.042 1.00 0.00 ATOM 733 OE1 GLU 111 43.686 45.034 37.997 1.00 0.00 ATOM 734 OE2 GLU 111 42.187 46.252 39.049 1.00 0.00 ATOM 735 O GLU 111 43.379 45.196 32.378 1.00 0.00 ATOM 736 C GLU 111 43.666 46.111 33.152 1.00 0.00 ATOM 737 N VAL 112 44.787 46.816 33.092 1.00 0.00 ATOM 738 CA VAL 112 45.846 46.428 32.151 1.00 0.00 ATOM 739 CB VAL 112 46.981 47.442 32.130 1.00 0.00 ATOM 740 CG1 VAL 112 47.951 47.008 31.041 1.00 0.00 ATOM 741 CG2 VAL 112 46.493 48.818 31.708 1.00 0.00 ATOM 742 O VAL 112 46.707 44.853 33.739 1.00 0.00 ATOM 743 C VAL 112 46.383 45.051 32.570 1.00 0.00 ATOM 744 N GLY 113 46.385 44.160 31.591 1.00 0.00 ATOM 745 CA GLY 113 46.879 42.781 31.762 1.00 0.00 ATOM 746 O GLY 113 46.174 40.575 32.424 1.00 0.00 ATOM 747 C GLY 113 45.871 41.761 32.287 1.00 0.00 ATOM 748 N GLN 114 44.642 42.234 32.469 1.00 0.00 ATOM 749 CA GLN 114 43.525 41.360 32.824 1.00 0.00 ATOM 750 CB GLN 114 42.278 42.212 33.018 1.00 0.00 ATOM 751 CG GLN 114 41.022 41.399 33.373 1.00 0.00 ATOM 752 CD GLN 114 41.160 40.608 34.673 1.00 0.00 ATOM 753 OE1 GLN 114 41.580 41.074 35.717 1.00 0.00 ATOM 754 NE2 GLN 114 40.751 39.371 34.638 1.00 0.00 ATOM 755 O GLN 114 43.235 40.721 30.515 1.00 0.00 ATOM 756 C GLN 114 43.338 40.355 31.681 1.00 0.00 ATOM 757 N VAL 115 43.353 39.093 32.062 1.00 0.00 ATOM 758 CA VAL 115 42.917 38.023 31.141 1.00 0.00 ATOM 759 CB VAL 115 43.398 36.654 31.634 1.00 0.00 ATOM 760 CG1 VAL 115 42.905 36.424 33.067 1.00 0.00 ATOM 761 CG2 VAL 115 43.029 35.535 30.668 1.00 0.00 ATOM 762 O VAL 115 40.657 38.474 31.910 1.00 0.00 ATOM 763 C VAL 115 41.395 38.148 30.968 1.00 0.00 ATOM 764 N VAL 116 41.026 38.168 29.716 1.00 0.00 ATOM 765 CA VAL 116 39.663 38.510 29.290 1.00 0.00 ATOM 766 CB VAL 116 39.602 39.966 28.787 1.00 0.00 ATOM 767 CG1 VAL 116 39.898 40.961 29.904 1.00 0.00 ATOM 768 CG2 VAL 116 40.507 40.188 27.562 1.00 0.00 ATOM 769 O VAL 116 39.920 36.870 27.553 1.00 0.00 ATOM 770 C VAL 116 39.148 37.555 28.217 1.00 0.00 ATOM 771 N MET 117 37.863 37.691 27.961 1.00 0.00 ATOM 772 CA MET 117 37.245 37.050 26.793 1.00 0.00 ATOM 773 CB MET 117 36.112 36.124 27.217 1.00 0.00 ATOM 774 CG MET 117 36.681 34.956 28.012 1.00 0.00 ATOM 775 SD MET 117 35.431 33.813 28.687 1.00 0.00 ATOM 776 CE MET 117 35.172 34.486 30.305 1.00 0.00 ATOM 777 O MET 117 36.066 39.093 26.309 1.00 0.00 ATOM 778 C MET 117 36.760 38.171 25.882 1.00 0.00 ATOM 779 N LEU 118 37.294 38.155 24.670 1.00 0.00 ATOM 780 CA LEU 118 36.986 39.216 23.717 1.00 0.00 ATOM 781 CB LEU 118 38.303 39.898 23.376 1.00 0.00 ATOM 782 CG LEU 118 38.192 41.040 22.355 1.00 0.00 ATOM 783 CD1 LEU 118 39.267 42.054 22.688 1.00 0.00 ATOM 784 CD2 LEU 118 38.453 40.541 20.942 1.00 0.00 ATOM 785 O LEU 118 36.621 37.621 21.945 1.00 0.00 ATOM 786 C LEU 118 36.256 38.657 22.508 1.00 0.00 ATOM 787 N ASN 119 35.180 39.354 22.177 1.00 0.00 ATOM 788 CA ASN 119 34.422 38.975 20.985 1.00 0.00 ATOM 789 CB ASN 119 33.034 39.583 21.009 1.00 0.00 ATOM 790 CG ASN 119 32.197 39.023 19.866 1.00 0.00 ATOM 791 ND2 ASN 119 31.116 39.707 19.625 1.00 0.00 ATOM 792 OD1 ASN 119 32.506 38.041 19.187 1.00 0.00 ATOM 793 O ASN 119 35.402 40.763 19.894 1.00 0.00 ATOM 794 C ASN 119 35.141 39.586 19.812 1.00 0.00 ATOM 795 N TYR 120 35.361 38.796 18.774 1.00 0.00 ATOM 796 CA TYR 120 35.999 39.318 17.572 1.00 0.00 ATOM 797 CB TYR 120 37.053 38.419 16.976 1.00 0.00 ATOM 798 CG TYR 120 38.343 39.189 17.059 1.00 0.00 ATOM 799 CD1 TYR 120 38.597 40.311 16.288 1.00 0.00 ATOM 800 CD2 TYR 120 39.235 38.734 18.009 1.00 0.00 ATOM 801 CE1 TYR 120 39.803 40.957 16.503 1.00 0.00 ATOM 802 CE2 TYR 120 40.430 39.391 18.204 1.00 0.00 ATOM 803 CZ TYR 120 40.714 40.503 17.431 1.00 0.00 ATOM 804 OH TYR 120 41.923 41.113 17.524 1.00 0.00 ATOM 805 O TYR 120 34.614 40.736 16.319 1.00 0.00 ATOM 806 C TYR 120 34.942 39.587 16.536 1.00 0.00 ATOM 807 N ASN 121 34.500 38.519 15.886 1.00 0.00 ATOM 808 CA ASN 121 33.448 38.774 14.940 1.00 0.00 ATOM 809 CB ASN 121 34.074 38.992 13.560 1.00 0.00 ATOM 810 CG ASN 121 34.800 40.314 13.350 1.00 0.00 ATOM 811 ND2 ASN 121 35.637 40.329 12.353 1.00 0.00 ATOM 812 OD1 ASN 121 34.461 41.372 13.842 1.00 0.00 ATOM 813 O ASN 121 32.268 36.818 15.686 1.00 0.00 ATOM 814 C ASN 121 32.186 37.944 15.194 1.00 0.00 ATOM 815 N PRO 122 31.079 38.661 15.216 1.00 0.00 ATOM 816 CA PRO 122 29.793 38.153 15.732 1.00 0.00 ATOM 817 CB PRO 122 28.874 39.371 15.679 1.00 0.00 ATOM 818 CG PRO 122 29.440 40.271 14.594 1.00 0.00 ATOM 819 CD PRO 122 30.937 40.048 14.696 1.00 0.00 ATOM 820 O PRO 122 28.392 36.231 15.740 1.00 0.00 ATOM 821 C PRO 122 29.191 36.896 15.085 1.00 0.00 ATOM 822 N ASP 123 29.727 36.427 13.949 1.00 0.00 ATOM 823 CA ASP 123 29.120 35.293 13.196 1.00 0.00 ATOM 824 CB ASP 123 27.954 35.816 12.354 1.00 0.00 ATOM 825 CG ASP 123 28.271 37.031 11.463 1.00 0.00 ATOM 826 OD1 ASP 123 29.191 37.838 11.718 1.00 0.00 ATOM 827 OD2 ASP 123 27.508 37.176 10.497 1.00 0.00 ATOM 828 O ASP 123 30.234 34.659 11.102 1.00 0.00 ATOM 829 C ASP 123 30.079 34.483 12.308 1.00 0.00 ATOM 830 N ASN 124 30.823 33.617 12.992 1.00 0.00 ATOM 831 CA ASN 124 31.909 32.787 12.416 1.00 0.00 ATOM 832 CB ASN 124 31.349 31.433 11.994 1.00 0.00 ATOM 833 CG ASN 124 32.487 30.420 11.831 1.00 0.00 ATOM 834 ND2 ASN 124 32.591 29.865 10.666 1.00 0.00 ATOM 835 OD1 ASN 124 33.246 30.088 12.731 1.00 0.00 ATOM 836 O ASN 124 33.280 32.770 10.386 1.00 0.00 ATOM 837 C ASN 124 32.814 33.435 11.324 1.00 0.00 ATOM 838 N PRO 125 33.222 34.687 11.531 1.00 0.00 ATOM 839 CA PRO 125 33.981 35.433 10.520 1.00 0.00 ATOM 840 CB PRO 125 33.933 36.880 10.988 1.00 0.00 ATOM 841 CG PRO 125 32.657 36.843 11.818 1.00 0.00 ATOM 842 CD PRO 125 32.927 35.595 12.647 1.00 0.00 ATOM 843 O PRO 125 35.953 34.480 11.505 1.00 0.00 ATOM 844 C PRO 125 35.409 34.924 10.496 1.00 0.00 ATOM 845 N LYS 126 36.030 35.235 9.370 1.00 0.00 ATOM 846 CA LYS 126 37.427 34.853 9.121 1.00 0.00 ATOM 847 CB LYS 126 37.845 35.362 7.751 1.00 0.00 ATOM 848 CG LYS 126 39.085 34.620 7.240 1.00 0.00 ATOM 849 CD LYS 126 38.713 33.397 6.411 1.00 0.00 ATOM 850 CE LYS 126 37.926 33.809 5.174 1.00 0.00 ATOM 851 NZ LYS 126 37.169 32.701 4.611 1.00 0.00 ATOM 852 O LYS 126 39.458 34.943 10.355 1.00 0.00 ATOM 853 C LYS 126 38.397 35.487 10.140 1.00 0.00 ATOM 854 N GLU 127 38.001 36.633 10.677 1.00 0.00 ATOM 855 CA GLU 127 38.864 37.462 11.547 1.00 0.00 ATOM 856 CB GLU 127 38.654 38.943 11.243 1.00 0.00 ATOM 857 CG GLU 127 38.976 39.305 9.784 1.00 0.00 ATOM 858 CD GLU 127 37.953 38.935 8.696 1.00 0.00 ATOM 859 OE1 GLU 127 36.790 38.651 9.062 1.00 0.00 ATOM 860 OE2 GLU 127 38.349 38.938 7.513 1.00 0.00 ATOM 861 O GLU 127 39.395 37.627 13.898 1.00 0.00 ATOM 862 C GLU 127 38.664 37.148 13.032 1.00 0.00 ATOM 863 N ARG 128 37.564 36.466 13.311 1.00 0.00 ATOM 864 CA ARG 128 37.265 35.977 14.655 1.00 0.00 ATOM 865 CB ARG 128 35.785 35.564 14.734 1.00 0.00 ATOM 866 CG ARG 128 35.477 34.964 16.105 1.00 0.00 ATOM 867 CD ARG 128 34.012 34.743 16.429 1.00 0.00 ATOM 868 NE ARG 128 33.416 33.765 15.510 1.00 0.00 ATOM 869 CZ ARG 128 33.362 32.457 15.743 1.00 0.00 ATOM 870 NH1 ARG 128 33.869 31.871 16.809 1.00 0.00 ATOM 871 NH2 ARG 128 32.790 31.667 14.878 1.00 0.00 ATOM 872 O ARG 128 38.087 33.726 14.501 1.00 0.00 ATOM 873 C ARG 128 38.192 34.819 15.040 1.00 0.00 ATOM 874 N GLY 129 38.807 35.000 16.194 1.00 0.00 ATOM 875 CA GLY 129 39.483 33.904 16.915 1.00 0.00 ATOM 876 O GLY 129 38.414 31.738 16.967 1.00 0.00 ATOM 877 C GLY 129 38.454 32.874 17.421 1.00 0.00 ATOM 878 N PHE 130 37.496 33.408 18.171 1.00 0.00 ATOM 879 CA PHE 130 36.423 32.711 18.930 1.00 0.00 ATOM 880 CB PHE 130 37.141 31.903 20.038 1.00 0.00 ATOM 881 CG PHE 130 37.732 30.496 19.792 1.00 0.00 ATOM 882 CD1 PHE 130 39.016 30.253 19.304 1.00 0.00 ATOM 883 CD2 PHE 130 36.967 29.418 20.182 1.00 0.00 ATOM 884 CE1 PHE 130 39.492 28.964 19.148 1.00 0.00 ATOM 885 CE2 PHE 130 37.444 28.119 20.046 1.00 0.00 ATOM 886 CZ PHE 130 38.696 27.897 19.509 1.00 0.00 ATOM 887 O PHE 130 35.605 34.966 18.974 1.00 0.00 ATOM 888 C PHE 130 35.539 33.860 19.514 1.00 0.00 ATOM 889 N TRP 131 34.714 33.733 20.558 1.00 0.00 ATOM 890 CA TRP 131 34.963 34.607 21.733 1.00 0.00 ATOM 891 CB TRP 131 33.881 34.531 22.822 1.00 0.00 ATOM 892 CG TRP 131 32.616 35.328 22.525 1.00 0.00 ATOM 893 CD1 TRP 131 31.637 34.979 21.686 1.00 0.00 ATOM 894 CD2 TRP 131 32.290 36.575 23.052 1.00 0.00 ATOM 895 CE2 TRP 131 31.078 36.920 22.467 1.00 0.00 ATOM 896 CE3 TRP 131 32.876 37.423 23.978 1.00 0.00 ATOM 897 NE1 TRP 131 30.717 35.937 21.635 1.00 0.00 ATOM 898 CZ2 TRP 131 30.483 38.113 22.837 1.00 0.00 ATOM 899 CZ3 TRP 131 32.260 38.627 24.329 1.00 0.00 ATOM 900 CH2 TRP 131 31.058 38.973 23.744 1.00 0.00 ATOM 901 O TRP 131 36.287 32.870 22.649 1.00 0.00 ATOM 902 C TRP 131 36.257 34.069 22.357 1.00 0.00 ATOM 903 N TYR 132 37.305 34.882 22.405 1.00 0.00 ATOM 904 CA TYR 132 38.648 34.345 22.665 1.00 0.00 ATOM 905 CB TYR 132 39.580 34.783 21.536 1.00 0.00 ATOM 906 CG TYR 132 40.767 33.831 21.341 1.00 0.00 ATOM 907 CD1 TYR 132 41.957 34.003 22.033 1.00 0.00 ATOM 908 CD2 TYR 132 40.719 32.871 20.363 1.00 0.00 ATOM 909 CE1 TYR 132 43.059 33.235 21.729 1.00 0.00 ATOM 910 CE2 TYR 132 41.829 32.083 20.047 1.00 0.00 ATOM 911 CZ TYR 132 43.009 32.285 20.730 1.00 0.00 ATOM 912 OH TYR 132 44.111 31.577 20.428 1.00 0.00 ATOM 913 O TYR 132 39.063 35.929 24.435 1.00 0.00 ATOM 914 C TYR 132 39.236 34.770 24.019 1.00 0.00 ATOM 915 N ASP 133 39.965 33.847 24.622 1.00 0.00 ATOM 916 CA ASP 133 40.735 34.125 25.841 1.00 0.00 ATOM 917 CB ASP 133 41.185 32.842 26.498 1.00 0.00 ATOM 918 CG ASP 133 40.025 31.965 26.956 1.00 0.00 ATOM 919 OD1 ASP 133 39.001 32.518 27.420 1.00 0.00 ATOM 920 OD2 ASP 133 40.200 30.748 26.789 1.00 0.00 ATOM 921 O ASP 133 42.881 34.515 24.764 1.00 0.00 ATOM 922 C ASP 133 41.992 34.928 25.506 1.00 0.00 ATOM 923 N ALA 134 42.071 36.089 26.119 1.00 0.00 ATOM 924 CA ALA 134 43.109 37.064 25.781 1.00 0.00 ATOM 925 CB ALA 134 42.390 38.142 25.012 1.00 0.00 ATOM 926 O ALA 134 43.148 37.754 28.075 1.00 0.00 ATOM 927 C ALA 134 43.739 37.723 26.999 1.00 0.00 ATOM 928 N GLU 135 44.737 38.527 26.669 1.00 0.00 ATOM 929 CA GLU 135 45.374 39.445 27.614 1.00 0.00 ATOM 930 CB GLU 135 46.797 39.008 27.863 1.00 0.00 ATOM 931 CG GLU 135 46.861 37.790 28.764 1.00 0.00 ATOM 932 CD GLU 135 48.319 37.421 29.084 1.00 0.00 ATOM 933 OE1 GLU 135 49.242 38.167 28.686 1.00 0.00 ATOM 934 OE2 GLU 135 48.482 36.534 29.930 1.00 0.00 ATOM 935 O GLU 135 45.706 41.086 25.872 1.00 0.00 ATOM 936 C GLU 135 45.420 40.862 27.054 1.00 0.00 ATOM 937 N ILE 136 45.245 41.786 27.983 1.00 0.00 ATOM 938 CA ILE 136 45.253 43.226 27.656 1.00 0.00 ATOM 939 CB ILE 136 44.286 43.995 28.574 1.00 0.00 ATOM 940 CG1 ILE 136 42.875 43.381 28.653 1.00 0.00 ATOM 941 CG2 ILE 136 44.261 45.478 28.170 1.00 0.00 ATOM 942 CD1 ILE 136 42.140 43.276 27.317 1.00 0.00 ATOM 943 O ILE 136 47.095 44.260 28.820 1.00 0.00 ATOM 944 C ILE 136 46.685 43.743 27.784 1.00 0.00 ATOM 945 N SER 137 47.364 43.743 26.655 1.00 0.00 ATOM 946 CA SER 137 48.763 44.208 26.562 1.00 0.00 ATOM 947 CB SER 137 49.306 43.927 25.151 1.00 0.00 ATOM 948 OG SER 137 49.369 42.511 24.964 1.00 0.00 ATOM 949 O SER 137 49.775 46.108 27.677 1.00 0.00 ATOM 950 C SER 137 48.929 45.697 26.890 1.00 0.00 ATOM 951 N ARG 138 48.143 46.514 26.196 1.00 0.00 ATOM 952 CA ARG 138 48.208 47.980 26.338 1.00 0.00 ATOM 953 CB ARG 138 48.854 48.603 25.099 1.00 0.00 ATOM 954 CG ARG 138 50.227 48.013 24.805 1.00 0.00 ATOM 955 CD ARG 138 50.706 48.502 23.451 1.00 0.00 ATOM 956 NE ARG 138 52.095 48.059 23.252 1.00 0.00 ATOM 957 CZ ARG 138 52.873 48.454 22.239 1.00 0.00 ATOM 958 NH1 ARG 138 52.437 49.325 21.338 1.00 0.00 ATOM 959 NH2 ARG 138 54.094 47.971 22.088 1.00 0.00 ATOM 960 O ARG 138 45.896 48.241 25.801 1.00 0.00 ATOM 961 C ARG 138 46.828 48.604 26.502 1.00 0.00 ATOM 962 N LYS 139 46.805 49.681 27.268 1.00 0.00 ATOM 963 CA LYS 139 45.588 50.483 27.480 1.00 0.00 ATOM 964 CB LYS 139 45.217 50.321 28.938 1.00 0.00 ATOM 965 CG LYS 139 43.932 50.986 29.369 1.00 0.00 ATOM 966 CD LYS 139 43.671 50.713 30.848 1.00 0.00 ATOM 967 CE LYS 139 42.308 51.273 31.150 1.00 0.00 ATOM 968 NZ LYS 139 41.750 51.186 32.481 1.00 0.00 ATOM 969 O LYS 139 46.752 52.560 27.710 1.00 0.00 ATOM 970 C LYS 139 45.876 51.942 27.128 1.00 0.00 ATOM 971 N ARG 140 45.230 52.429 26.076 1.00 0.00 ATOM 972 CA ARG 140 45.471 53.812 25.614 1.00 0.00 ATOM 973 CB ARG 140 46.116 53.759 24.235 1.00 0.00 ATOM 974 CG ARG 140 47.533 53.186 24.360 1.00 0.00 ATOM 975 CD ARG 140 48.493 54.192 24.980 1.00 0.00 ATOM 976 NE ARG 140 48.696 55.310 24.031 1.00 0.00 ATOM 977 CZ ARG 140 49.511 55.276 22.993 1.00 0.00 ATOM 978 NH1 ARG 140 50.232 54.179 22.730 1.00 0.00 ATOM 979 NH2 ARG 140 49.653 56.339 22.216 1.00 0.00 ATOM 980 O ARG 140 43.148 54.258 25.224 1.00 0.00 ATOM 981 C ARG 140 44.225 54.679 25.649 1.00 0.00 ATOM 982 N GLU 141 44.392 55.871 26.217 1.00 0.00 ATOM 983 CA GLU 141 43.292 56.835 26.347 1.00 0.00 ATOM 984 CB GLU 141 43.289 57.554 27.692 1.00 0.00 ATOM 985 CG GLU 141 42.960 56.670 28.885 1.00 0.00 ATOM 986 CD GLU 141 43.006 57.440 30.209 1.00 0.00 ATOM 987 OE1 GLU 141 43.242 58.669 30.194 1.00 0.00 ATOM 988 OE2 GLU 141 42.839 56.750 31.229 1.00 0.00 ATOM 989 O GLU 141 44.574 58.550 25.278 1.00 0.00 ATOM 990 C GLU 141 43.501 57.935 25.317 1.00 0.00 ATOM 991 N THR 142 42.523 58.118 24.455 1.00 0.00 ATOM 992 CA THR 142 42.734 59.187 23.454 1.00 0.00 ATOM 993 CB THR 142 43.260 58.563 22.144 1.00 0.00 ATOM 994 CG2 THR 142 43.391 59.558 20.985 1.00 0.00 ATOM 995 OG1 THR 142 44.535 57.956 22.426 1.00 0.00 ATOM 996 O THR 142 40.577 59.149 22.849 1.00 0.00 ATOM 997 C THR 142 41.424 59.892 23.257 1.00 0.00 ATOM 998 N ARG 143 41.306 61.210 23.354 1.00 0.00 ATOM 999 CA ARG 143 40.028 61.943 23.196 1.00 0.00 ATOM 1000 CB ARG 143 40.220 63.425 23.461 1.00 0.00 ATOM 1001 CG ARG 143 39.029 64.355 23.384 1.00 0.00 ATOM 1002 CD ARG 143 38.078 64.057 24.519 1.00 0.00 ATOM 1003 NE ARG 143 36.848 64.821 24.300 1.00 0.00 ATOM 1004 CZ ARG 143 35.850 64.482 23.492 1.00 0.00 ATOM 1005 NH1 ARG 143 35.894 63.394 22.735 1.00 0.00 ATOM 1006 NH2 ARG 143 34.724 65.169 23.525 1.00 0.00 ATOM 1007 O ARG 143 38.098 61.798 21.794 1.00 0.00 ATOM 1008 C ARG 143 39.333 61.819 21.847 1.00 0.00 ATOM 1009 N THR 144 40.147 61.815 20.810 1.00 0.00 ATOM 1010 CA THR 144 39.630 61.660 19.431 1.00 0.00 ATOM 1011 CB THR 144 40.781 61.902 18.474 1.00 0.00 ATOM 1012 CG2 THR 144 40.409 61.698 17.005 1.00 0.00 ATOM 1013 OG1 THR 144 41.204 63.231 18.772 1.00 0.00 ATOM 1014 O THR 144 38.059 60.068 18.487 1.00 0.00 ATOM 1015 C THR 144 38.964 60.298 19.276 1.00 0.00 ATOM 1016 N ALA 145 39.629 59.383 19.963 1.00 0.00 ATOM 1017 CA ALA 145 39.047 58.132 20.417 1.00 0.00 ATOM 1018 CB ALA 145 40.189 57.156 20.695 1.00 0.00 ATOM 1019 O ALA 145 37.120 57.521 21.486 1.00 0.00 ATOM 1020 C ALA 145 38.061 58.262 21.607 1.00 0.00 ATOM 1021 N ARG 146 38.169 59.202 22.582 1.00 0.00 ATOM 1022 CA ARG 146 37.656 59.293 23.986 1.00 0.00 ATOM 1023 CB ARG 146 38.205 60.155 25.154 1.00 0.00 ATOM 1024 CG ARG 146 39.201 59.351 26.037 1.00 0.00 ATOM 1025 CD ARG 146 39.968 60.022 27.188 1.00 0.00 ATOM 1026 NE ARG 146 39.077 60.516 28.244 1.00 0.00 ATOM 1027 CZ ARG 146 39.275 61.581 29.027 1.00 0.00 ATOM 1028 NH1 ARG 146 40.310 62.375 29.015 1.00 0.00 ATOM 1029 NH2 ARG 146 38.384 61.930 29.918 1.00 0.00 ATOM 1030 O ARG 146 35.624 58.891 25.147 1.00 0.00 ATOM 1031 C ARG 146 36.438 58.480 24.318 1.00 0.00 ATOM 1032 N GLU 147 37.288 57.473 24.371 1.00 0.00 ATOM 1033 CA GLU 147 37.317 56.029 24.475 1.00 0.00 ATOM 1034 CB GLU 147 36.814 55.320 23.229 1.00 0.00 ATOM 1035 CG GLU 147 35.378 55.718 22.939 1.00 0.00 ATOM 1036 CD GLU 147 34.922 55.140 21.613 1.00 0.00 ATOM 1037 OE1 GLU 147 34.442 54.009 21.725 1.00 0.00 ATOM 1038 OE2 GLU 147 35.048 55.832 20.565 1.00 0.00 ATOM 1039 O GLU 147 39.795 56.247 24.356 1.00 0.00 ATOM 1040 C GLU 147 38.775 55.595 24.623 1.00 0.00 ATOM 1041 N LEU 148 38.703 54.552 25.396 1.00 0.00 ATOM 1042 CA LEU 148 39.842 53.742 25.780 1.00 0.00 ATOM 1043 CB LEU 148 39.507 53.301 27.198 1.00 0.00 ATOM 1044 CG LEU 148 40.596 52.436 27.783 1.00 0.00 ATOM 1045 CD1 LEU 148 41.892 53.233 27.957 1.00 0.00 ATOM 1046 CD2 LEU 148 39.973 51.901 29.063 1.00 0.00 ATOM 1047 O LEU 148 38.949 51.937 24.461 1.00 0.00 ATOM 1048 C LEU 148 39.943 52.570 24.817 1.00 0.00 ATOM 1049 N TYR 149 41.172 52.335 24.411 1.00 0.00 ATOM 1050 CA TYR 149 41.509 51.199 23.527 1.00 0.00 ATOM 1051 CB TYR 149 42.274 51.652 22.286 1.00 0.00 ATOM 1052 CG TYR 149 41.389 52.329 21.253 1.00 0.00 ATOM 1053 CD1 TYR 149 40.256 51.722 20.736 1.00 0.00 ATOM 1054 CD2 TYR 149 41.797 53.543 20.737 1.00 0.00 ATOM 1055 CE1 TYR 149 39.543 52.347 19.732 1.00 0.00 ATOM 1056 CE2 TYR 149 41.093 54.158 19.712 1.00 0.00 ATOM 1057 CZ TYR 149 39.951 53.570 19.216 1.00 0.00 ATOM 1058 OH TYR 149 39.276 54.146 18.178 1.00 0.00 ATOM 1059 O TYR 149 43.092 50.587 25.235 1.00 0.00 ATOM 1060 C TYR 149 42.387 50.220 24.280 1.00 0.00 ATOM 1061 N ALA 150 42.393 49.005 23.762 1.00 0.00 ATOM 1062 CA ALA 150 43.230 47.942 24.334 1.00 0.00 ATOM 1063 CB ALA 150 42.383 47.030 25.215 1.00 0.00 ATOM 1064 O ALA 150 43.271 46.694 22.270 1.00 0.00 ATOM 1065 C ALA 150 43.898 47.130 23.241 1.00 0.00 ATOM 1066 N ASN 151 45.214 47.109 23.329 1.00 0.00 ATOM 1067 CA ASN 151 45.985 46.200 22.487 1.00 0.00 ATOM 1068 CB ASN 151 47.391 46.756 22.317 1.00 0.00 ATOM 1069 CG ASN 151 48.150 45.963 21.259 1.00 0.00 ATOM 1070 ND2 ASN 151 49.423 45.979 21.451 1.00 0.00 ATOM 1071 OD1 ASN 151 47.659 45.242 20.402 1.00 0.00 ATOM 1072 O ASN 151 46.332 44.780 24.358 1.00 0.00 ATOM 1073 C ASN 151 46.027 44.838 23.174 1.00 0.00 ATOM 1074 N VAL 152 45.611 43.812 22.444 1.00 0.00 ATOM 1075 CA VAL 152 45.439 42.474 23.064 1.00 0.00 ATOM 1076 CB VAL 152 43.936 42.157 23.277 1.00 0.00 ATOM 1077 CG1 VAL 152 43.277 43.236 24.128 1.00 0.00 ATOM 1078 CG2 VAL 152 43.144 42.021 21.983 1.00 0.00 ATOM 1079 O VAL 152 46.197 41.297 21.113 1.00 0.00 ATOM 1080 C VAL 152 46.175 41.330 22.347 1.00 0.00 ATOM 1081 N VAL 153 46.665 40.393 23.144 1.00 0.00 ATOM 1082 CA VAL 153 47.322 39.173 22.629 1.00 0.00 ATOM 1083 CB VAL 153 48.707 38.906 23.247 1.00 0.00 ATOM 1084 CG1 VAL 153 49.305 37.586 22.753 1.00 0.00 ATOM 1085 CG2 VAL 153 49.684 40.031 22.887 1.00 0.00 ATOM 1086 O VAL 153 46.015 37.816 24.102 1.00 0.00 ATOM 1087 C VAL 153 46.423 37.979 22.953 1.00 0.00 ATOM 1088 N LEU 154 46.132 37.232 21.904 1.00 0.00 ATOM 1089 CA LEU 154 45.273 36.063 22.045 1.00 0.00 ATOM 1090 CB LEU 154 44.764 35.688 20.659 1.00 0.00 ATOM 1091 CG LEU 154 43.870 36.714 19.977 1.00 0.00 ATOM 1092 CD1 LEU 154 43.641 36.158 18.580 1.00 0.00 ATOM 1093 CD2 LEU 154 42.516 36.912 20.659 1.00 0.00 ATOM 1094 O LEU 154 47.146 34.566 22.187 1.00 0.00 ATOM 1095 C LEU 154 46.073 34.928 22.678 1.00 0.00 ATOM 1096 N GLY 155 45.657 34.573 23.892 1.00 0.00 ATOM 1097 CA GLY 155 46.266 33.485 24.677 1.00 0.00 ATOM 1098 O GLY 155 45.352 31.958 23.107 1.00 0.00 ATOM 1099 C GLY 155 46.313 32.231 23.814 1.00 0.00 ATOM 1100 N ASP 156 47.505 31.667 23.682 1.00 0.00 ATOM 1101 CA ASP 156 47.721 30.502 22.792 1.00 0.00 ATOM 1102 CB ASP 156 46.741 29.358 23.092 1.00 0.00 ATOM 1103 CG ASP 156 46.628 28.965 24.529 1.00 0.00 ATOM 1104 OD1 ASP 156 47.730 28.771 25.104 1.00 0.00 ATOM 1105 OD2 ASP 156 45.447 28.921 24.923 1.00 0.00 ATOM 1106 O ASP 156 46.807 30.154 20.587 1.00 0.00 ATOM 1107 C ASP 156 47.443 30.878 21.336 1.00 0.00 ATOM 1108 N ASP 157 47.839 32.077 20.971 1.00 0.00 ATOM 1109 CA ASP 157 47.764 32.500 19.575 1.00 0.00 ATOM 1110 CB ASP 157 46.447 33.199 19.238 1.00 0.00 ATOM 1111 CG ASP 157 45.957 32.955 17.804 1.00 0.00 ATOM 1112 OD1 ASP 157 46.841 32.635 16.964 1.00 0.00 ATOM 1113 OD2 ASP 157 44.714 32.949 17.601 1.00 0.00 ATOM 1114 O ASP 157 49.471 34.090 20.242 1.00 0.00 ATOM 1115 C ASP 157 48.957 33.400 19.337 1.00 0.00 ATOM 1116 N SER 158 49.575 33.110 18.202 1.00 0.00 ATOM 1117 CA SER 158 50.795 33.796 17.756 1.00 0.00 ATOM 1118 CB SER 158 51.074 33.459 16.297 1.00 0.00 ATOM 1119 OG SER 158 52.308 34.073 15.908 1.00 0.00 ATOM 1120 O SER 158 49.622 35.901 17.544 1.00 0.00 ATOM 1121 C SER 158 50.631 35.314 17.911 1.00 0.00 ATOM 1122 N LEU 159 51.737 35.945 18.301 1.00 0.00 ATOM 1123 CA LEU 159 51.757 37.398 18.555 1.00 0.00 ATOM 1124 CB LEU 159 53.110 37.884 19.077 1.00 0.00 ATOM 1125 CG LEU 159 53.415 37.369 20.477 1.00 0.00 ATOM 1126 CD1 LEU 159 54.878 37.639 20.836 1.00 0.00 ATOM 1127 CD2 LEU 159 52.524 38.034 21.518 1.00 0.00 ATOM 1128 O LEU 159 50.951 39.414 17.568 1.00 0.00 ATOM 1129 C LEU 159 51.365 38.277 17.361 1.00 0.00 ATOM 1130 N ASN 160 51.487 37.743 16.145 1.00 0.00 ATOM 1131 CA ASN 160 51.073 38.482 14.938 1.00 0.00 ATOM 1132 CB ASN 160 51.450 37.769 13.653 1.00 0.00 ATOM 1133 CG ASN 160 52.961 37.725 13.449 1.00 0.00 ATOM 1134 ND2 ASN 160 53.378 36.724 12.734 1.00 0.00 ATOM 1135 OD1 ASN 160 53.761 38.537 13.901 1.00 0.00 ATOM 1136 O ASN 160 49.209 39.945 14.604 1.00 0.00 ATOM 1137 C ASN 160 49.582 38.822 14.920 1.00 0.00 ATOM 1138 N ASP 161 48.788 37.929 15.507 1.00 0.00 ATOM 1139 CA ASP 161 47.338 38.142 15.713 1.00 0.00 ATOM 1140 CB ASP 161 46.654 36.799 15.940 1.00 0.00 ATOM 1141 CG ASP 161 46.691 35.916 14.689 1.00 0.00 ATOM 1142 OD1 ASP 161 47.034 36.408 13.593 1.00 0.00 ATOM 1143 OD2 ASP 161 46.353 34.733 14.841 1.00 0.00 ATOM 1144 O ASP 161 45.881 39.142 17.367 1.00 0.00 ATOM 1145 C ASP 161 47.017 39.069 16.892 1.00 0.00 ATOM 1146 N CYS 162 48.004 39.841 17.302 1.00 0.00 ATOM 1147 CA CYS 162 47.807 40.840 18.365 1.00 0.00 ATOM 1148 CB CYS 162 49.091 41.200 19.108 1.00 0.00 ATOM 1149 SG CYS 162 48.726 42.464 20.379 1.00 0.00 ATOM 1150 O CYS 162 47.649 42.495 16.621 1.00 0.00 ATOM 1151 C CYS 162 47.215 42.085 17.695 1.00 0.00 ATOM 1152 N ARG 163 46.159 42.604 18.299 1.00 0.00 ATOM 1153 CA ARG 163 45.399 43.718 17.684 1.00 0.00 ATOM 1154 CB ARG 163 44.183 43.158 16.922 1.00 0.00 ATOM 1155 CG ARG 163 44.532 42.333 15.685 1.00 0.00 ATOM 1156 CD ARG 163 44.934 43.246 14.538 1.00 0.00 ATOM 1157 NE ARG 163 45.276 42.459 13.343 1.00 0.00 ATOM 1158 CZ ARG 163 46.188 42.712 12.420 1.00 0.00 ATOM 1159 NH1 ARG 163 46.886 43.766 12.474 1.00 0.00 ATOM 1160 NH2 ARG 163 46.519 41.950 11.416 1.00 0.00 ATOM 1161 O ARG 163 44.691 44.427 19.858 1.00 0.00 ATOM 1162 C ARG 163 44.888 44.741 18.685 1.00 0.00 ATOM 1163 N ILE 164 44.543 45.910 18.138 1.00 0.00 ATOM 1164 CA ILE 164 43.838 46.962 18.891 1.00 0.00 ATOM 1165 CB ILE 164 44.177 48.367 18.364 1.00 0.00 ATOM 1166 CG1 ILE 164 45.676 48.614 18.470 1.00 0.00 ATOM 1167 CG2 ILE 164 43.403 49.459 19.131 1.00 0.00 ATOM 1168 CD1 ILE 164 46.164 49.768 17.597 1.00 0.00 ATOM 1169 O ILE 164 41.778 46.682 17.682 1.00 0.00 ATOM 1170 C ILE 164 42.339 46.725 18.775 1.00 0.00 ATOM 1171 N ILE 165 41.722 46.744 19.952 1.00 0.00 ATOM 1172 CA ILE 165 40.258 46.628 20.098 1.00 0.00 ATOM 1173 CB ILE 165 39.885 45.271 20.728 1.00 0.00 ATOM 1174 CG1 ILE 165 40.521 44.058 20.015 1.00 0.00 ATOM 1175 CG2 ILE 165 38.375 45.099 20.776 1.00 0.00 ATOM 1176 CD1 ILE 165 40.189 43.875 18.535 1.00 0.00 ATOM 1177 O ILE 165 40.398 48.101 21.989 1.00 0.00 ATOM 1178 C ILE 165 39.752 47.755 21.002 1.00 0.00 ATOM 1179 N PHE 166 38.573 48.263 20.651 1.00 0.00 ATOM 1180 CA PHE 166 37.757 49.080 21.583 1.00 0.00 ATOM 1181 CB PHE 166 36.413 49.468 20.977 1.00 0.00 ATOM 1182 CG PHE 166 36.549 50.510 19.889 1.00 0.00 ATOM 1183 CD1 PHE 166 36.331 51.853 20.183 1.00 0.00 ATOM 1184 CD2 PHE 166 36.847 50.097 18.608 1.00 0.00 ATOM 1185 CE1 PHE 166 36.399 52.794 19.166 1.00 0.00 ATOM 1186 CE2 PHE 166 36.927 51.037 17.610 1.00 0.00 ATOM 1187 CZ PHE 166 36.687 52.371 17.875 1.00 0.00 ATOM 1188 O PHE 166 37.427 47.043 22.861 1.00 0.00 ATOM 1189 C PHE 166 37.411 48.264 22.839 1.00 0.00 ATOM 1190 N VAL 167 37.122 48.994 23.900 1.00 0.00 ATOM 1191 CA VAL 167 36.770 48.367 25.192 1.00 0.00 ATOM 1192 CB VAL 167 36.745 49.434 26.288 1.00 0.00 ATOM 1193 CG1 VAL 167 36.266 48.896 27.651 1.00 0.00 ATOM 1194 CG2 VAL 167 38.170 49.929 26.496 1.00 0.00 ATOM 1195 O VAL 167 35.420 46.467 25.759 1.00 0.00 ATOM 1196 C VAL 167 35.480 47.527 25.127 1.00 0.00 ATOM 1197 N ASP 168 34.536 47.958 24.310 1.00 0.00 ATOM 1198 CA ASP 168 33.253 47.260 24.168 1.00 0.00 ATOM 1199 CB ASP 168 32.329 48.132 23.324 1.00 0.00 ATOM 1200 CG ASP 168 31.439 49.042 24.172 1.00 0.00 ATOM 1201 OD1 ASP 168 31.647 49.063 25.404 1.00 0.00 ATOM 1202 OD2 ASP 168 30.501 49.665 23.631 1.00 0.00 ATOM 1203 O ASP 168 32.344 45.034 23.849 1.00 0.00 ATOM 1204 C ASP 168 33.288 45.804 23.661 1.00 0.00 ATOM 1205 N GLU 169 34.463 45.411 23.194 1.00 0.00 ATOM 1206 CA GLU 169 34.681 44.033 22.719 1.00 0.00 ATOM 1207 CB GLU 169 35.285 44.022 21.323 1.00 0.00 ATOM 1208 CG GLU 169 34.356 44.551 20.227 1.00 0.00 ATOM 1209 CD GLU 169 34.282 46.068 20.028 1.00 0.00 ATOM 1210 OE1 GLU 169 34.879 46.862 20.791 1.00 0.00 ATOM 1211 OE2 GLU 169 33.648 46.413 19.021 1.00 0.00 ATOM 1212 O GLU 169 35.596 41.962 23.517 1.00 0.00 ATOM 1213 C GLU 169 35.492 43.178 23.700 1.00 0.00 ATOM 1214 N VAL 170 35.906 43.792 24.809 1.00 0.00 ATOM 1215 CA VAL 170 36.604 43.084 25.911 1.00 0.00 ATOM 1216 CB VAL 170 37.815 43.903 26.371 1.00 0.00 ATOM 1217 CG1 VAL 170 38.600 43.145 27.427 1.00 0.00 ATOM 1218 CG2 VAL 170 38.776 44.261 25.237 1.00 0.00 ATOM 1219 O VAL 170 35.081 43.800 27.669 1.00 0.00 ATOM 1220 C VAL 170 35.668 42.863 27.118 1.00 0.00 ATOM 1221 N PHE 171 35.627 41.629 27.573 1.00 0.00 ATOM 1222 CA PHE 171 34.838 41.218 28.746 1.00 0.00 ATOM 1223 CB PHE 171 33.798 40.177 28.320 1.00 0.00 ATOM 1224 CG PHE 171 33.078 39.526 29.492 1.00 0.00 ATOM 1225 CD1 PHE 171 32.632 40.235 30.600 1.00 0.00 ATOM 1226 CD2 PHE 171 32.993 38.145 29.514 1.00 0.00 ATOM 1227 CE1 PHE 171 32.119 39.594 31.721 1.00 0.00 ATOM 1228 CE2 PHE 171 32.460 37.515 30.616 1.00 0.00 ATOM 1229 CZ PHE 171 32.023 38.214 31.734 1.00 0.00 ATOM 1230 O PHE 171 36.692 39.855 29.434 1.00 0.00 ATOM 1231 C PHE 171 35.793 40.631 29.778 1.00 0.00 ATOM 1232 N LYS 172 35.514 40.914 31.044 1.00 0.00 ATOM 1233 CA LYS 172 36.253 40.295 32.157 1.00 0.00 ATOM 1234 CB LYS 172 35.636 40.740 33.477 1.00 0.00 ATOM 1235 CG LYS 172 36.390 40.168 34.671 1.00 0.00 ATOM 1236 CD LYS 172 35.558 40.426 35.906 1.00 0.00 ATOM 1237 CE LYS 172 36.225 39.904 37.166 1.00 0.00 ATOM 1238 NZ LYS 172 37.594 40.433 37.248 1.00 0.00 ATOM 1239 O LYS 172 35.058 38.245 31.739 1.00 0.00 ATOM 1240 C LYS 172 36.121 38.778 32.068 1.00 0.00 ATOM 1241 N ILE 173 37.172 38.098 32.490 1.00 0.00 ATOM 1242 CA ILE 173 37.146 36.638 32.497 1.00 0.00 ATOM 1243 CB ILE 173 38.564 36.211 32.096 1.00 0.00 ATOM 1244 CG1 ILE 173 38.490 34.957 31.220 1.00 0.00 ATOM 1245 CG2 ILE 173 39.519 36.049 33.281 1.00 0.00 ATOM 1246 CD1 ILE 173 39.647 34.800 30.230 1.00 0.00 ATOM 1247 O ILE 173 37.089 35.848 34.810 1.00 0.00 ATOM 1248 C ILE 173 36.482 36.083 33.779 1.00 0.00 ATOM 1249 N GLU 174 35.157 35.933 33.726 1.00 0.00 ATOM 1250 CA GLU 174 34.347 35.483 34.879 1.00 0.00 ATOM 1251 CB GLU 174 32.888 35.802 34.548 1.00 0.00 ATOM 1252 CG GLU 174 31.886 35.454 35.664 1.00 0.00 ATOM 1253 CD GLU 174 32.303 36.021 37.022 1.00 0.00 ATOM 1254 OE1 GLU 174 32.342 35.231 37.977 1.00 0.00 ATOM 1255 OE2 GLU 174 32.752 37.187 37.073 1.00 0.00 ATOM 1256 O GLU 174 34.515 33.623 36.466 1.00 0.00 ATOM 1257 C GLU 174 34.573 34.008 35.303 1.00 0.00 ATOM 1258 N ARG 175 34.925 33.206 34.297 1.00 0.00 ATOM 1259 CA ARG 175 35.317 31.788 34.442 1.00 0.00 ATOM 1260 CB ARG 175 34.424 30.919 33.583 1.00 0.00 ATOM 1261 CG ARG 175 32.978 30.964 34.054 1.00 0.00 ATOM 1262 CD ARG 175 32.155 30.055 33.180 1.00 0.00 ATOM 1263 NE ARG 175 31.939 30.755 31.920 1.00 0.00 ATOM 1264 CZ ARG 175 31.212 30.259 30.943 1.00 0.00 ATOM 1265 NH1 ARG 175 30.690 29.049 31.035 1.00 0.00 ATOM 1266 NH2 ARG 175 31.047 31.013 29.883 1.00 0.00 ATOM 1267 O ARG 175 37.030 32.383 32.944 1.00 0.00 ATOM 1268 C ARG 175 36.717 31.626 33.870 1.00 0.00 ATOM 1269 N PRO 176 37.490 30.637 34.348 1.00 0.00 ATOM 1270 CA PRO 176 38.798 30.326 33.756 1.00 0.00 ATOM 1271 CB PRO 176 39.409 29.206 34.590 1.00 0.00 ATOM 1272 CG PRO 176 38.199 28.534 35.227 1.00 0.00 ATOM 1273 CD PRO 176 37.194 29.675 35.437 1.00 0.00 ATOM 1274 O PRO 176 37.495 29.884 31.780 1.00 0.00 ATOM 1275 C PRO 176 38.655 29.952 32.280 1.00 0.00 TER END