PFRMAT TS TARGET TR435 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 METHOD METHOD For REFINEMENT, we do the full prediction protocol, but then try to METHOD optimize the model given to us by CASP. Since for TR435, the model METHOD given to us was very close to the one we generated automatically, we METHOD tried optimizing both TR435 and our own model. We added a disulfide METHOD bond constraint (C47-C122) to the cost function. METHOD METHOD When I submitted the models described above, I found that I had METHOD trimmed off 2 residues too many, and so my reside numbering was all off. METHOD I redid the prediction protocol for the correct sequence, then patched METHOD in resides S15-L21 from the initial TR432 model that CASP gave us onto METHOD the best two models that I had previously submitted. I reoptimized METHOD these to fix any gaps created by the chimera. METHOD METHOD METHOD Model METHOD 1 TR435.try7-opt3.pdb # < from-GOOF-try5-opt3 < try3-opt3.gromacs0 < try2-opt3 < TR435 METHOD This was the best scoring with the cost function that I used METHOD for the final optimization. METHOD METHOD 2 TR435.try8-opt3.pdb # < from-GOOF-try6-opt3 < try4-opt3.gromacs0 < try1-opt3 < align(2qpwA) METHOD This model was optimized from our own model rather than from TR432. METHOD There are several subtle differences, but the biggest METHOD difference is in the placement of the C-terminal helix. METHOD METHOD 3 TR435.try7-opt3.gromacs0.repack-nonPC.pdb # < from-GOOF-try5-opt3 < try3-opt3.gromacs0 < try2-opt3 < TR435 METHOD This model was the best scoring of the models that Rosetta repacked. METHOD Its notion of clashes agrees more with gromacs than with undertaker. METHOD The model is model1 followed by energy minimization by gromacs METHOD and repacking sidechains (except PRO and CYS) by Rosetta Design. METHOD METHOD 4 TR435.try1-opt3.gromacs0.repack-nonPC METHOD This is an automatic model that has not been polished. It is METHOD expected to be much worse than the refined models, but it METHOD provides yet another variant n th eloops and the termini. METHOD METHOD METHOD REMARK 6 REMARK 6 TR435 model 1 Thu Jul 10 14:37:11 2008 MODEL 1 PARENT N/A ATOM 1 N SER 15 -9.632 -8.870 -11.764 1.00 0.00 ATOM 2 CA SER 15 -10.740 -9.461 -11.080 1.00 0.00 ATOM 3 CB SER 15 -11.343 -10.592 -11.915 1.00 0.00 ATOM 4 OG SER 15 -10.430 -11.665 -12.057 1.00 0.00 ATOM 5 O SER 15 -11.125 -9.932 -8.763 1.00 0.00 ATOM 6 C SER 15 -10.361 -10.021 -9.708 1.00 0.00 ATOM 7 N ARG 16 -9.188 -10.642 -9.660 1.00 0.00 ATOM 8 CA ARG 16 -8.740 -11.240 -8.400 1.00 0.00 ATOM 9 CB ARG 16 -7.441 -12.080 -8.713 1.00 0.00 ATOM 10 CG ARG 16 -6.805 -12.702 -7.475 1.00 0.00 ATOM 11 CD ARG 16 -5.471 -13.357 -7.767 1.00 0.00 ATOM 12 NE ARG 16 -5.660 -14.552 -8.627 1.00 0.00 ATOM 13 CZ ARG 16 -5.018 -14.843 -9.744 1.00 0.00 ATOM 14 NH1 ARG 16 -4.022 -14.083 -10.176 1.00 0.00 ATOM 15 NH2 ARG 16 -5.383 -15.908 -10.446 1.00 0.00 ATOM 16 O ARG 16 -8.920 -10.445 -6.143 1.00 0.00 ATOM 17 C ARG 16 -8.578 -10.195 -7.300 1.00 0.00 ATOM 18 N ALA 17 -8.058 -9.027 -7.661 1.00 0.00 ATOM 19 CA ALA 17 -7.855 -7.927 -6.680 1.00 0.00 ATOM 20 CB ALA 17 -7.123 -6.789 -7.316 1.00 0.00 ATOM 21 O ALA 17 -9.292 -7.319 -4.869 1.00 0.00 ATOM 22 C ALA 17 -9.175 -7.459 -6.089 1.00 0.00 ATOM 23 N ARG 18 -10.198 -7.263 -6.923 1.00 0.00 ATOM 24 CA ARG 18 -11.519 -6.889 -6.431 1.00 0.00 ATOM 25 CB ARG 18 -12.474 -6.698 -7.566 1.00 0.00 ATOM 26 CG ARG 18 -13.852 -6.218 -7.194 1.00 0.00 ATOM 27 CD ARG 18 -13.892 -4.699 -7.117 1.00 0.00 ATOM 28 NE ARG 18 -15.169 -4.356 -6.502 1.00 0.00 ATOM 29 CZ ARG 18 -15.486 -3.113 -6.210 1.00 0.00 ATOM 30 NH1 ARG 18 -14.658 -2.111 -6.435 1.00 0.00 ATOM 31 NH2 ARG 18 -16.672 -2.956 -5.658 1.00 0.00 ATOM 32 O ARG 18 -12.619 -7.626 -4.415 1.00 0.00 ATOM 33 C ARG 18 -12.079 -7.959 -5.470 1.00 0.00 ATOM 34 N LEU 19 -11.945 -9.228 -5.844 1.00 0.00 ATOM 35 CA LEU 19 -12.438 -10.317 -5.009 1.00 0.00 ATOM 36 CB LEU 19 -12.236 -11.663 -5.709 1.00 0.00 ATOM 37 CG LEU 19 -13.073 -11.906 -6.967 1.00 0.00 ATOM 38 CD1 LEU 19 -12.655 -13.198 -7.650 1.00 0.00 ATOM 39 CD2 LEU 19 -14.550 -12.008 -6.619 1.00 0.00 ATOM 40 O LEU 19 -12.297 -10.846 -2.702 1.00 0.00 ATOM 41 C LEU 19 -11.723 -10.400 -3.694 1.00 0.00 ATOM 42 N SER 20 -10.440 -10.000 -3.670 1.00 0.00 ATOM 43 CA SER 20 -9.546 -10.119 -2.546 1.00 0.00 ATOM 44 CB SER 20 -8.092 -9.930 -2.983 1.00 0.00 ATOM 45 OG SER 20 -7.865 -8.610 -3.446 1.00 0.00 ATOM 46 O SER 20 -9.228 -9.291 -0.316 1.00 0.00 ATOM 47 C SER 20 -9.783 -9.103 -1.395 1.00 0.00 ATOM 48 N LEU 21 -10.557 -8.065 -1.590 1.00 0.00 ATOM 49 CA LEU 21 -10.706 -6.937 -0.630 1.00 0.00 ATOM 50 CB LEU 21 -11.707 -5.920 -1.162 1.00 0.00 ATOM 51 CG LEU 21 -11.493 -4.404 -1.286 1.00 0.00 ATOM 52 CD1 LEU 21 -10.087 -3.966 -1.574 1.00 0.00 ATOM 53 CD2 LEU 21 -12.469 -3.851 -2.342 1.00 0.00 ATOM 54 O LEU 21 -12.231 -8.042 0.823 1.00 0.00 ATOM 55 C LEU 21 -11.231 -7.359 0.746 1.00 0.00 ATOM 56 N PRO 22 -10.605 -6.889 1.824 1.00 0.00 ATOM 57 CA PRO 22 -11.159 -7.108 3.140 1.00 0.00 ATOM 58 CB PRO 22 -10.128 -6.455 4.079 1.00 0.00 ATOM 59 CG PRO 22 -8.924 -6.338 3.317 1.00 0.00 ATOM 60 CD PRO 22 -9.352 -6.118 1.881 1.00 0.00 ATOM 61 O PRO 22 -12.749 -5.478 2.405 1.00 0.00 ATOM 62 C PRO 22 -12.488 -6.364 3.219 1.00 0.00 ATOM 63 N LYS 23 -13.329 -6.754 4.209 1.00 0.00 ATOM 64 CA LYS 23 -14.663 -6.174 4.380 1.00 0.00 ATOM 65 CB LYS 23 -15.330 -6.705 5.642 1.00 0.00 ATOM 66 CG LYS 23 -15.714 -8.173 5.506 1.00 0.00 ATOM 67 CD LYS 23 -16.404 -8.599 6.802 1.00 0.00 ATOM 68 CE LYS 23 -16.817 -10.051 6.680 1.00 0.00 ATOM 69 NZ LYS 23 -17.522 -10.466 7.891 1.00 0.00 ATOM 70 O LYS 23 -15.505 -3.920 4.105 1.00 0.00 ATOM 71 C LYS 23 -14.639 -4.651 4.552 1.00 0.00 ATOM 72 N GLN 24 -13.550 -4.209 5.162 1.00 0.00 ATOM 73 CA GLN 24 -13.356 -2.827 5.582 1.00 0.00 ATOM 74 CB GLN 24 -12.409 -2.788 6.841 1.00 0.00 ATOM 75 CG GLN 24 -13.002 -3.484 8.064 1.00 0.00 ATOM 76 CD GLN 24 -12.726 -4.953 8.117 1.00 0.00 ATOM 77 OE1 GLN 24 -12.147 -5.553 7.165 1.00 0.00 ATOM 78 NE2 GLN 24 -13.030 -5.644 9.182 1.00 0.00 ATOM 79 O GLN 24 -13.110 -0.664 4.538 1.00 0.00 ATOM 80 C GLN 24 -12.994 -1.878 4.410 1.00 0.00 ATOM 81 N LEU 25 -12.627 -2.423 3.246 1.00 0.00 ATOM 82 CA LEU 25 -12.195 -1.619 2.080 1.00 0.00 ATOM 83 CB LEU 25 -10.701 -1.763 1.832 1.00 0.00 ATOM 84 CG LEU 25 -9.838 -1.332 3.023 1.00 0.00 ATOM 85 CD1 LEU 25 -8.388 -1.638 2.712 1.00 0.00 ATOM 86 CD2 LEU 25 -10.009 0.151 3.261 1.00 0.00 ATOM 87 O LEU 25 -13.224 -3.093 0.459 1.00 0.00 ATOM 88 C LEU 25 -12.881 -1.941 0.749 1.00 0.00 ATOM 89 N VAL 26 -12.950 -0.917 -0.085 1.00 0.00 ATOM 90 CA VAL 26 -13.533 -1.007 -1.437 1.00 0.00 ATOM 91 CB VAL 26 -14.932 -0.374 -1.475 1.00 0.00 ATOM 92 CG1 VAL 26 -15.924 -1.172 -0.637 1.00 0.00 ATOM 93 CG2 VAL 26 -14.957 1.101 -1.033 1.00 0.00 ATOM 94 O VAL 26 -11.683 0.414 -1.999 1.00 0.00 ATOM 95 C VAL 26 -12.585 -0.316 -2.412 1.00 0.00 ATOM 96 N LEU 27 -12.791 -0.545 -3.705 1.00 0.00 ATOM 97 CA LEU 27 -11.937 0.073 -4.744 1.00 0.00 ATOM 98 CB LEU 27 -11.278 -0.915 -5.706 1.00 0.00 ATOM 99 CG LEU 27 -10.601 -2.119 -5.043 1.00 0.00 ATOM 100 CD1 LEU 27 -10.081 -3.061 -6.127 1.00 0.00 ATOM 101 CD2 LEU 27 -9.433 -1.722 -4.137 1.00 0.00 ATOM 102 O LEU 27 -13.887 0.750 -5.992 1.00 0.00 ATOM 103 C LEU 27 -12.795 1.085 -5.530 1.00 0.00 ATOM 104 N ARG 28 -12.296 2.309 -5.675 1.00 0.00 ATOM 105 CA ARG 28 -13.025 3.341 -6.403 1.00 0.00 ATOM 106 CB ARG 28 -14.059 4.014 -5.479 1.00 0.00 ATOM 107 CG ARG 28 -15.323 3.170 -5.300 1.00 0.00 ATOM 108 CD ARG 28 -16.427 3.894 -4.520 1.00 0.00 ATOM 109 NE ARG 28 -16.944 4.998 -5.340 1.00 0.00 ATOM 110 CZ ARG 28 -17.727 6.000 -4.947 1.00 0.00 ATOM 111 NH1 ARG 28 -18.140 6.939 -5.795 1.00 0.00 ATOM 112 NH2 ARG 28 -17.994 6.152 -3.669 1.00 0.00 ATOM 113 O ARG 28 -10.866 4.404 -6.585 1.00 0.00 ATOM 114 C ARG 28 -12.052 4.425 -6.916 1.00 0.00 ATOM 115 N GLN 29 -12.562 5.356 -7.716 1.00 0.00 ATOM 116 CA GLN 29 -11.730 6.425 -8.257 1.00 0.00 ATOM 117 CB GLN 29 -12.593 7.285 -9.233 1.00 0.00 ATOM 118 CG GLN 29 -13.645 8.220 -8.489 1.00 0.00 ATOM 119 CD GLN 29 -14.559 8.898 -9.477 1.00 0.00 ATOM 120 OE1 GLN 29 -14.061 9.644 -10.382 1.00 0.00 ATOM 121 NE2 GLN 29 -15.812 8.637 -9.377 1.00 0.00 ATOM 122 O GLN 29 -11.516 7.083 -5.985 1.00 0.00 ATOM 123 C GLN 29 -11.013 7.121 -7.101 1.00 0.00 ATOM 124 N SER 30 -9.885 7.745 -7.416 1.00 0.00 ATOM 125 CA SER 30 -8.999 8.310 -6.369 1.00 0.00 ATOM 126 CB SER 30 -7.583 7.732 -6.476 1.00 0.00 ATOM 127 OG SER 30 -6.624 8.543 -5.795 1.00 0.00 ATOM 128 O SER 30 -9.255 10.499 -7.366 1.00 0.00 ATOM 129 C SER 30 -9.013 9.847 -6.344 1.00 0.00 ATOM 130 N ILE 31 -8.558 10.375 -5.209 1.00 0.00 ATOM 131 CA ILE 31 -8.354 11.819 -5.004 1.00 0.00 ATOM 132 CB ILE 31 -7.947 12.094 -3.548 1.00 0.00 ATOM 133 CG1 ILE 31 -9.041 11.615 -2.589 1.00 0.00 ATOM 134 CG2 ILE 31 -7.705 13.601 -3.358 1.00 0.00 ATOM 135 CD1 ILE 31 -8.622 11.575 -1.113 1.00 0.00 ATOM 136 O ILE 31 -7.302 13.588 -6.256 1.00 0.00 ATOM 137 C ILE 31 -7.251 12.384 -5.877 1.00 0.00 ATOM 138 N VAL 32 -6.205 11.598 -6.163 1.00 0.00 ATOM 139 CA VAL 32 -5.079 12.109 -6.946 1.00 0.00 ATOM 140 CB VAL 32 -4.002 11.027 -7.071 1.00 0.00 ATOM 141 CG1 VAL 32 -3.481 10.651 -5.677 1.00 0.00 ATOM 142 CG2 VAL 32 -4.509 9.791 -7.817 1.00 0.00 ATOM 143 O VAL 32 -4.815 13.477 -8.906 1.00 0.00 ATOM 144 C VAL 32 -5.510 12.643 -8.340 1.00 0.00 ATOM 145 N GLY 33 -6.641 12.138 -8.833 1.00 0.00 ATOM 146 CA GLY 33 -7.265 12.601 -10.080 1.00 0.00 ATOM 147 O GLY 33 -7.805 11.837 -12.304 1.00 0.00 ATOM 148 C GLY 33 -7.308 11.558 -11.207 1.00 0.00 ATOM 149 N ALA 34 -6.860 10.349 -10.895 1.00 0.00 ATOM 150 CA ALA 34 -6.671 9.344 -11.962 1.00 0.00 ATOM 151 CB ALA 34 -5.280 9.584 -12.574 1.00 0.00 ATOM 152 O ALA 34 -8.049 7.530 -11.152 1.00 0.00 ATOM 153 C ALA 34 -6.932 7.902 -11.508 1.00 0.00 ATOM 154 N GLU 35 -5.815 7.176 -11.426 1.00 0.00 ATOM 155 CA GLU 35 -5.767 5.747 -11.146 1.00 0.00 ATOM 156 CB GLU 35 -4.331 5.311 -10.883 1.00 0.00 ATOM 157 CG GLU 35 -3.484 5.340 -12.149 1.00 0.00 ATOM 158 CD GLU 35 -3.995 4.348 -13.193 1.00 0.00 ATOM 159 OE1 GLU 35 -3.742 3.137 -12.995 1.00 0.00 ATOM 160 OE2 GLU 35 -4.683 4.812 -14.116 1.00 0.00 ATOM 161 O GLU 35 -6.657 6.183 -8.965 1.00 0.00 ATOM 162 C GLU 35 -6.620 5.440 -9.949 1.00 0.00 ATOM 163 N VAL 36 -7.333 4.355 -10.112 1.00 0.00 ATOM 164 CA VAL 36 -8.261 3.870 -9.083 1.00 0.00 ATOM 165 CB VAL 36 -8.937 2.584 -9.553 1.00 0.00 ATOM 166 CG1 VAL 36 -9.879 2.055 -8.476 1.00 0.00 ATOM 167 CG2 VAL 36 -9.682 2.841 -10.863 1.00 0.00 ATOM 168 O VAL 36 -6.346 3.117 -7.823 1.00 0.00 ATOM 169 C VAL 36 -7.473 3.626 -7.797 1.00 0.00 ATOM 170 N GLY 37 -8.120 3.982 -6.693 1.00 0.00 ATOM 171 CA GLY 37 -7.581 3.778 -5.348 1.00 0.00 ATOM 172 O GLY 37 -9.517 2.358 -4.977 1.00 0.00 ATOM 173 C GLY 37 -8.500 2.882 -4.518 1.00 0.00 ATOM 174 N VAL 38 -8.142 2.807 -3.241 1.00 0.00 ATOM 175 CA VAL 38 -8.908 2.041 -2.247 1.00 0.00 ATOM 176 CB VAL 38 -8.015 1.077 -1.445 1.00 0.00 ATOM 177 CG1 VAL 38 -8.836 0.179 -0.521 1.00 0.00 ATOM 178 CG2 VAL 38 -7.178 0.160 -2.333 1.00 0.00 ATOM 179 O VAL 38 -8.931 3.980 -0.800 1.00 0.00 ATOM 180 C VAL 38 -9.566 3.040 -1.275 1.00 0.00 ATOM 181 N TRP 39 -10.782 2.689 -0.876 1.00 0.00 ATOM 182 CA TRP 39 -11.550 3.481 0.094 1.00 0.00 ATOM 183 CB TRP 39 -12.774 4.076 -0.584 1.00 0.00 ATOM 184 CG TRP 39 -12.379 5.047 -1.699 1.00 0.00 ATOM 185 CD1 TRP 39 -12.093 4.715 -2.957 1.00 0.00 ATOM 186 CD2 TRP 39 -12.309 6.436 -1.602 1.00 0.00 ATOM 187 CE2 TRP 39 -11.974 6.882 -2.870 1.00 0.00 ATOM 188 CE3 TRP 39 -12.511 7.334 -0.568 1.00 0.00 ATOM 189 NE1 TRP 39 -11.856 5.827 -3.660 1.00 0.00 ATOM 190 CZ2 TRP 39 -11.844 8.246 -3.107 1.00 0.00 ATOM 191 CZ3 TRP 39 -12.362 8.690 -0.809 1.00 0.00 ATOM 192 CH2 TRP 39 -12.027 9.147 -2.079 1.00 0.00 ATOM 193 O TRP 39 -11.988 1.366 1.139 1.00 0.00 ATOM 194 C TRP 39 -11.965 2.592 1.261 1.00 0.00 ATOM 195 N THR 40 -12.294 3.210 2.391 1.00 0.00 ATOM 196 CA THR 40 -12.706 2.463 3.556 1.00 0.00 ATOM 197 CB THR 40 -11.795 2.892 4.712 1.00 0.00 ATOM 198 CG2 THR 40 -10.331 2.962 4.294 1.00 0.00 ATOM 199 OG1 THR 40 -12.111 4.216 5.072 1.00 0.00 ATOM 200 O THR 40 -14.769 3.632 3.916 1.00 0.00 ATOM 201 C THR 40 -14.221 2.550 3.699 1.00 0.00 ATOM 202 N GLY 41 -14.897 1.411 3.578 1.00 0.00 ATOM 203 CA GLY 41 -16.365 1.374 3.700 1.00 0.00 ATOM 204 O GLY 41 -18.035 2.051 5.301 1.00 0.00 ATOM 205 C GLY 41 -16.896 1.617 5.125 1.00 0.00 ATOM 206 N GLU 42 -16.066 1.340 6.127 1.00 0.00 ATOM 207 CA GLU 42 -16.467 1.538 7.515 1.00 0.00 ATOM 208 CB GLU 42 -17.240 0.347 8.106 1.00 0.00 ATOM 209 CG GLU 42 -16.454 -0.965 8.207 1.00 0.00 ATOM 210 CD GLU 42 -17.291 -2.144 8.723 1.00 0.00 ATOM 211 OE1 GLU 42 -18.474 -1.932 9.102 1.00 0.00 ATOM 212 OE2 GLU 42 -16.730 -3.272 8.714 1.00 0.00 ATOM 213 O GLU 42 -14.086 1.713 7.764 1.00 0.00 ATOM 214 C GLU 42 -15.191 1.874 8.279 1.00 0.00 ATOM 215 N THR 43 -15.381 2.398 9.485 1.00 0.00 ATOM 216 CA THR 43 -14.246 2.825 10.330 1.00 0.00 ATOM 217 CB THR 43 -14.677 3.279 11.731 1.00 0.00 ATOM 218 CG2 THR 43 -13.496 3.836 12.541 1.00 0.00 ATOM 219 OG1 THR 43 -15.660 4.316 11.596 1.00 0.00 ATOM 220 O THR 43 -13.533 0.530 10.740 1.00 0.00 ATOM 221 C THR 43 -13.231 1.691 10.476 1.00 0.00 ATOM 222 N ILE 44 -11.987 2.092 10.312 1.00 0.00 ATOM 223 CA ILE 44 -10.844 1.189 10.484 1.00 0.00 ATOM 224 CB ILE 44 -10.027 1.073 9.198 1.00 0.00 ATOM 225 CG1 ILE 44 -10.943 0.528 8.090 1.00 0.00 ATOM 226 CG2 ILE 44 -8.805 0.160 9.393 1.00 0.00 ATOM 227 CD1 ILE 44 -10.293 0.594 6.722 1.00 0.00 ATOM 228 O ILE 44 -9.679 2.905 11.640 1.00 0.00 ATOM 229 C ILE 44 -10.003 1.731 11.641 1.00 0.00 ATOM 230 N PRO 45 -9.708 0.903 12.677 1.00 0.00 ATOM 231 CA PRO 45 -8.967 1.362 13.817 1.00 0.00 ATOM 232 CB PRO 45 -9.178 0.222 14.832 1.00 0.00 ATOM 233 CG PRO 45 -9.275 -0.906 14.011 1.00 0.00 ATOM 234 CD PRO 45 -10.134 -0.495 12.838 1.00 0.00 ATOM 235 O PRO 45 -6.931 0.980 12.599 1.00 0.00 ATOM 236 C PRO 45 -7.465 1.517 13.571 1.00 0.00 ATOM 237 N VAL 46 -6.786 2.256 14.444 1.00 0.00 ATOM 238 CA VAL 46 -5.346 2.413 14.291 1.00 0.00 ATOM 239 CB VAL 46 -4.768 3.261 15.441 1.00 0.00 ATOM 240 CG1 VAL 46 -3.247 3.325 15.403 1.00 0.00 ATOM 241 CG2 VAL 46 -5.344 4.677 15.369 1.00 0.00 ATOM 242 O VAL 46 -5.159 0.171 15.235 1.00 0.00 ATOM 243 C VAL 46 -4.745 1.007 14.441 1.00 0.00 ATOM 244 N ARG 47 -3.631 0.886 13.765 1.00 0.00 ATOM 245 CA ARG 47 -2.708 -0.255 13.713 1.00 0.00 ATOM 246 CB ARG 47 -1.636 -0.015 14.849 1.00 0.00 ATOM 247 CG ARG 47 -0.572 -1.084 14.958 1.00 0.00 ATOM 248 CD ARG 47 -0.960 -2.193 15.931 1.00 0.00 ATOM 249 NE ARG 47 0.092 -3.200 16.037 1.00 0.00 ATOM 250 CZ ARG 47 0.192 -4.270 15.255 1.00 0.00 ATOM 251 NH1 ARG 47 -0.705 -4.491 14.307 1.00 0.00 ATOM 252 NH2 ARG 47 1.205 -5.110 15.407 1.00 0.00 ATOM 253 O ARG 47 -2.787 -2.578 13.318 1.00 0.00 ATOM 254 C ARG 47 -3.232 -1.461 13.055 1.00 0.00 ATOM 255 N THR 48 -4.204 -1.261 12.171 1.00 0.00 ATOM 256 CA THR 48 -4.808 -2.374 11.448 1.00 0.00 ATOM 257 CB THR 48 -6.263 -2.791 11.589 1.00 0.00 ATOM 258 CG2 THR 48 -6.874 -3.564 10.410 1.00 0.00 ATOM 259 OG1 THR 48 -6.112 -3.712 12.674 1.00 0.00 ATOM 260 O THR 48 -3.912 -1.817 9.276 1.00 0.00 ATOM 261 C THR 48 -4.070 -2.644 10.163 1.00 0.00 ATOM 262 N CYS 49 -3.565 -3.852 10.184 1.00 0.00 ATOM 263 CA CYS 49 -2.692 -4.328 9.111 1.00 0.00 ATOM 264 CB CYS 49 -1.651 -5.276 9.695 1.00 0.00 ATOM 265 SG CYS 49 -0.637 -4.447 10.970 1.00 0.00 ATOM 266 O CYS 49 -4.444 -5.765 8.278 1.00 0.00 ATOM 267 C CYS 49 -3.489 -5.055 8.034 1.00 0.00 ATOM 268 N PHE 50 -3.125 -4.758 6.808 1.00 0.00 ATOM 269 CA PHE 50 -3.691 -5.471 5.663 1.00 0.00 ATOM 270 CB PHE 50 -4.507 -4.478 4.845 1.00 0.00 ATOM 271 CG PHE 50 -5.739 -3.994 5.608 1.00 0.00 ATOM 272 CD1 PHE 50 -6.815 -4.831 5.853 1.00 0.00 ATOM 273 CD2 PHE 50 -5.760 -2.717 6.139 1.00 0.00 ATOM 274 CE1 PHE 50 -7.903 -4.439 6.600 1.00 0.00 ATOM 275 CE2 PHE 50 -6.847 -2.312 6.902 1.00 0.00 ATOM 276 CZ PHE 50 -7.925 -3.164 7.131 1.00 0.00 ATOM 277 O PHE 50 -1.495 -5.348 4.759 1.00 0.00 ATOM 278 C PHE 50 -2.532 -5.987 4.827 1.00 0.00 ATOM 279 N GLY 51 -2.662 -7.203 4.316 1.00 0.00 ATOM 280 CA GLY 51 -1.539 -7.745 3.564 1.00 0.00 ATOM 281 O GLY 51 -2.661 -9.819 3.352 1.00 0.00 ATOM 282 C GLY 51 -1.591 -9.220 3.252 1.00 0.00 ATOM 283 N PRO 52 -0.469 -9.751 2.777 1.00 0.00 ATOM 284 CA PRO 52 0.719 -9.004 2.322 1.00 0.00 ATOM 285 CB PRO 52 1.741 -10.123 2.087 1.00 0.00 ATOM 286 CG PRO 52 0.933 -11.412 1.964 1.00 0.00 ATOM 287 CD PRO 52 -0.178 -11.211 3.008 1.00 0.00 ATOM 288 O PRO 52 -0.299 -9.181 0.153 1.00 0.00 ATOM 289 C PRO 52 0.487 -8.568 0.869 1.00 0.00 ATOM 290 N LEU 53 1.225 -7.547 0.462 1.00 0.00 ATOM 291 CA LEU 53 1.285 -7.119 -0.948 1.00 0.00 ATOM 292 CB LEU 53 1.778 -5.682 -1.050 1.00 0.00 ATOM 293 CG LEU 53 1.800 -5.122 -2.480 1.00 0.00 ATOM 294 CD1 LEU 53 0.388 -4.969 -3.042 1.00 0.00 ATOM 295 CD2 LEU 53 2.467 -3.747 -2.496 1.00 0.00 ATOM 296 O LEU 53 3.397 -8.219 -1.239 1.00 0.00 ATOM 297 C LEU 53 2.227 -8.121 -1.609 1.00 0.00 ATOM 298 N ILE 54 1.715 -8.860 -2.587 1.00 0.00 ATOM 299 CA ILE 54 2.523 -9.844 -3.286 1.00 0.00 ATOM 300 CB ILE 54 1.842 -11.201 -3.113 1.00 0.00 ATOM 301 CG1 ILE 54 0.465 -11.226 -3.777 1.00 0.00 ATOM 302 CG2 ILE 54 1.778 -11.592 -1.614 1.00 0.00 ATOM 303 CD1 ILE 54 -0.029 -12.666 -3.846 1.00 0.00 ATOM 304 O ILE 54 1.712 -8.945 -5.354 1.00 0.00 ATOM 305 C ILE 54 2.617 -9.545 -4.774 1.00 0.00 ATOM 306 N GLY 55 3.716 -9.966 -5.394 1.00 0.00 ATOM 307 CA GLY 55 3.912 -9.737 -6.821 1.00 0.00 ATOM 308 O GLY 55 5.738 -11.278 -6.522 1.00 0.00 ATOM 309 C GLY 55 5.080 -10.579 -7.304 1.00 0.00 ATOM 310 N GLN 56 5.401 -10.337 -8.559 1.00 0.00 ATOM 311 CA GLN 56 6.463 -11.109 -9.220 1.00 0.00 ATOM 312 CB GLN 56 6.354 -10.948 -10.727 1.00 0.00 ATOM 313 CG GLN 56 7.394 -11.794 -11.459 1.00 0.00 ATOM 314 CD GLN 56 7.180 -11.713 -12.960 1.00 0.00 ATOM 315 OE1 GLN 56 6.163 -11.312 -13.500 1.00 0.00 ATOM 316 NE2 GLN 56 8.111 -12.280 -13.674 1.00 0.00 ATOM 317 O GLN 56 8.051 -9.387 -8.704 1.00 0.00 ATOM 318 C GLN 56 7.812 -10.595 -8.731 1.00 0.00 ATOM 319 N GLN 57 8.693 -11.513 -8.346 1.00 0.00 ATOM 320 CA GLN 57 9.979 -11.134 -7.878 1.00 0.00 ATOM 321 CB GLN 57 10.532 -12.071 -6.810 1.00 0.00 ATOM 322 CG GLN 57 10.758 -13.507 -7.302 1.00 0.00 ATOM 323 CD GLN 57 11.596 -14.345 -6.339 1.00 0.00 ATOM 324 OE1 GLN 57 11.370 -15.530 -6.142 1.00 0.00 ATOM 325 NE2 GLN 57 12.608 -13.773 -5.714 1.00 0.00 ATOM 326 O GLN 57 10.932 -11.867 -9.989 1.00 0.00 ATOM 327 C GLN 57 10.913 -11.018 -9.096 1.00 0.00 ATOM 328 N SER 58 11.454 -9.819 -9.191 1.00 0.00 ATOM 329 CA SER 58 12.304 -9.443 -10.324 1.00 0.00 ATOM 330 CB SER 58 11.472 -8.561 -11.248 1.00 0.00 ATOM 331 OG SER 58 12.256 -8.144 -12.359 1.00 0.00 ATOM 332 O SER 58 13.602 -8.243 -8.689 1.00 0.00 ATOM 333 C SER 58 13.547 -8.702 -9.830 1.00 0.00 ATOM 334 N HIS 59 14.583 -8.703 -10.661 1.00 0.00 ATOM 335 CA HIS 59 15.762 -7.880 -10.363 1.00 0.00 ATOM 336 CB HIS 59 16.957 -8.245 -11.251 1.00 0.00 ATOM 337 CG HIS 59 18.196 -7.483 -10.786 1.00 0.00 ATOM 338 CD2 HIS 59 18.780 -7.621 -9.609 1.00 0.00 ATOM 339 ND1 HIS 59 18.776 -6.481 -11.428 1.00 0.00 ATOM 340 CE1 HIS 59 19.758 -6.032 -10.652 1.00 0.00 ATOM 341 NE2 HIS 59 19.746 -6.722 -9.527 1.00 0.00 ATOM 342 O HIS 59 14.512 -6.101 -11.392 1.00 0.00 ATOM 343 C HIS 59 15.439 -6.407 -10.639 1.00 0.00 ATOM 344 N SER 60 16.201 -5.504 -10.031 1.00 0.00 ATOM 345 CA SER 60 15.981 -4.075 -10.226 1.00 0.00 ATOM 346 CB SER 60 17.004 -3.329 -9.398 1.00 0.00 ATOM 347 OG SER 60 16.731 -3.494 -8.006 1.00 0.00 ATOM 348 O SER 60 15.424 -2.888 -12.235 1.00 0.00 ATOM 349 C SER 60 16.172 -3.700 -11.691 1.00 0.00 ATOM 350 N MET 61 17.210 -4.306 -12.388 1.00 0.00 ATOM 351 CA MET 61 17.481 -4.044 -13.797 1.00 0.00 ATOM 352 CB MET 61 18.501 -5.113 -14.232 1.00 0.00 ATOM 353 CG MET 61 19.204 -4.831 -15.563 1.00 0.00 ATOM 354 SD MET 61 20.117 -6.280 -16.223 1.00 0.00 ATOM 355 CE MET 61 18.794 -7.109 -17.076 1.00 0.00 ATOM 356 O MET 61 15.819 -3.677 -15.497 1.00 0.00 ATOM 357 C MET 61 16.248 -4.422 -14.613 1.00 0.00 ATOM 358 N GLU 62 15.656 -5.574 -14.294 1.00 0.00 ATOM 359 CA GLU 62 14.474 -6.030 -15.014 1.00 0.00 ATOM 360 CB GLU 62 14.248 -7.433 -14.438 1.00 0.00 ATOM 361 CG GLU 62 15.466 -8.378 -14.454 1.00 0.00 ATOM 362 CD GLU 62 15.135 -9.848 -14.145 1.00 0.00 ATOM 363 OE1 GLU 62 15.537 -10.359 -13.070 1.00 0.00 ATOM 364 OE2 GLU 62 14.533 -10.464 -15.053 1.00 0.00 ATOM 365 O GLU 62 12.570 -4.766 -15.745 1.00 0.00 ATOM 366 C GLU 62 13.312 -5.064 -14.808 1.00 0.00 ATOM 367 N VAL 63 13.157 -4.575 -13.582 1.00 0.00 ATOM 368 CA VAL 63 12.053 -3.612 -13.251 1.00 0.00 ATOM 369 CB VAL 63 12.095 -3.269 -11.733 1.00 0.00 ATOM 370 CG1 VAL 63 10.970 -2.316 -11.387 1.00 0.00 ATOM 371 CG2 VAL 63 11.990 -4.509 -10.903 1.00 0.00 ATOM 372 O VAL 63 11.283 -1.782 -14.614 1.00 0.00 ATOM 373 C VAL 63 12.242 -2.318 -14.058 1.00 0.00 ATOM 374 N ALA 64 13.476 -1.826 -14.118 1.00 0.00 ATOM 375 CA ALA 64 13.768 -0.604 -14.859 1.00 0.00 ATOM 376 CB ALA 64 15.213 -0.257 -14.616 1.00 0.00 ATOM 377 O ALA 64 12.928 0.154 -16.987 1.00 0.00 ATOM 378 C ALA 64 13.447 -0.752 -16.354 1.00 0.00 ATOM 379 N GLU 65 13.714 -1.947 -16.870 1.00 0.00 ATOM 380 CA GLU 65 13.398 -2.280 -18.269 1.00 0.00 ATOM 381 CB GLU 65 14.036 -3.603 -18.691 1.00 0.00 ATOM 382 CG GLU 65 15.558 -3.542 -18.680 1.00 0.00 ATOM 383 CD GLU 65 16.140 -2.358 -19.473 1.00 0.00 ATOM 384 OE1 GLU 65 15.858 -2.281 -20.682 1.00 0.00 ATOM 385 OE2 GLU 65 16.979 -1.623 -18.878 1.00 0.00 ATOM 386 O GLU 65 11.323 -1.842 -19.457 1.00 0.00 ATOM 387 C GLU 65 11.883 -2.341 -18.486 1.00 0.00 ATOM 388 N TRP 66 11.218 -2.947 -17.514 1.00 0.00 ATOM 389 CA TRP 66 9.766 -3.126 -17.582 1.00 0.00 ATOM 390 CB TRP 66 9.313 -4.171 -16.549 1.00 0.00 ATOM 391 CG TRP 66 9.815 -5.584 -16.894 1.00 0.00 ATOM 392 CD1 TRP 66 10.413 -5.992 -18.016 1.00 0.00 ATOM 393 CD2 TRP 66 9.627 -6.709 -16.121 1.00 0.00 ATOM 394 CE2 TRP 66 10.131 -7.782 -16.822 1.00 0.00 ATOM 395 CE3 TRP 66 9.074 -6.917 -14.867 1.00 0.00 ATOM 396 NE1 TRP 66 10.586 -7.302 -17.976 1.00 0.00 ATOM 397 CZ2 TRP 66 10.118 -9.063 -16.289 1.00 0.00 ATOM 398 CZ3 TRP 66 9.016 -8.199 -14.343 1.00 0.00 ATOM 399 CH2 TRP 66 9.530 -9.272 -15.048 1.00 0.00 ATOM 400 O TRP 66 7.822 -1.785 -17.920 1.00 0.00 ATOM 401 C TRP 66 8.964 -1.829 -17.461 1.00 0.00 ATOM 402 N THR 67 9.566 -0.787 -16.904 1.00 0.00 ATOM 403 CA THR 67 8.832 0.455 -16.687 1.00 0.00 ATOM 404 CB THR 67 8.024 0.283 -15.395 1.00 0.00 ATOM 405 CG2 THR 67 8.881 0.218 -14.129 1.00 0.00 ATOM 406 OG1 THR 67 7.156 1.390 -15.359 1.00 0.00 ATOM 407 O THR 67 10.913 1.515 -16.169 1.00 0.00 ATOM 408 C THR 67 9.773 1.652 -16.614 1.00 0.00 ATOM 409 N ASP 68 9.208 2.827 -16.783 1.00 0.00 ATOM 410 CA ASP 68 9.933 4.067 -16.517 1.00 0.00 ATOM 411 CB ASP 68 9.457 5.214 -17.396 1.00 0.00 ATOM 412 CG ASP 68 8.014 5.579 -17.162 1.00 0.00 ATOM 413 OD1 ASP 68 7.246 4.648 -16.851 1.00 0.00 ATOM 414 OD2 ASP 68 7.560 6.767 -17.267 1.00 0.00 ATOM 415 O ASP 68 9.433 3.542 -14.199 1.00 0.00 ATOM 416 C ASP 68 9.965 4.313 -15.006 1.00 0.00 ATOM 417 N LYS 69 10.415 5.501 -14.661 1.00 0.00 ATOM 418 CA LYS 69 10.385 5.997 -13.274 1.00 0.00 ATOM 419 CB LYS 69 10.765 7.659 -13.447 1.00 0.00 ATOM 420 CG LYS 69 11.635 8.127 -14.595 1.00 0.00 ATOM 421 CD LYS 69 11.686 9.619 -14.594 1.00 0.00 ATOM 422 CE LYS 69 12.438 10.101 -15.793 1.00 0.00 ATOM 423 NZ LYS 69 12.660 11.570 -15.788 1.00 0.00 ATOM 424 O LYS 69 8.723 6.028 -11.479 1.00 0.00 ATOM 425 C LYS 69 8.955 6.013 -12.683 1.00 0.00 ATOM 426 N ALA 70 7.995 6.091 -13.595 1.00 0.00 ATOM 427 CA ALA 70 6.561 6.204 -13.295 1.00 0.00 ATOM 428 CB ALA 70 5.751 6.281 -14.577 1.00 0.00 ATOM 429 O ALA 70 4.889 5.142 -11.931 1.00 0.00 ATOM 430 C ALA 70 5.971 5.023 -12.520 1.00 0.00 ATOM 431 N VAL 71 6.713 3.928 -12.527 1.00 0.00 ATOM 432 CA VAL 71 6.235 2.725 -11.827 1.00 0.00 ATOM 433 CB VAL 71 6.327 1.321 -12.380 1.00 0.00 ATOM 434 CG1 VAL 71 6.391 0.177 -11.371 1.00 0.00 ATOM 435 CG2 VAL 71 4.988 1.182 -13.072 1.00 0.00 ATOM 436 O VAL 71 7.292 3.164 -9.683 1.00 0.00 ATOM 437 C VAL 71 6.256 2.927 -10.328 1.00 0.00 ATOM 438 N ASN 72 5.057 3.172 -9.876 1.00 0.00 ATOM 439 CA ASN 72 4.972 3.564 -8.472 1.00 0.00 ATOM 440 CB ASN 72 3.726 4.446 -8.315 1.00 0.00 ATOM 441 CG ASN 72 3.816 5.845 -8.933 1.00 0.00 ATOM 442 ND2 ASN 72 5.015 6.253 -9.261 1.00 0.00 ATOM 443 OD1 ASN 72 2.848 6.559 -9.142 1.00 0.00 ATOM 444 O ASN 72 4.661 2.505 -6.342 1.00 0.00 ATOM 445 C ASN 72 4.576 2.403 -7.567 1.00 0.00 ATOM 446 N HIS 73 4.145 1.299 -8.169 1.00 0.00 ATOM 447 CA HIS 73 3.748 0.135 -7.403 1.00 0.00 ATOM 448 CB HIS 73 2.861 -0.754 -8.465 1.00 0.00 ATOM 449 CG HIS 73 1.575 -0.027 -8.831 1.00 0.00 ATOM 450 CD2 HIS 73 0.339 -0.072 -8.267 1.00 0.00 ATOM 451 ND1 HIS 73 1.527 0.937 -9.851 1.00 0.00 ATOM 452 CE1 HIS 73 0.267 1.431 -9.863 1.00 0.00 ATOM 453 NE2 HIS 73 -0.446 0.812 -8.969 1.00 0.00 ATOM 454 O HIS 73 4.437 -1.448 -5.756 1.00 0.00 ATOM 455 C HIS 73 4.762 -0.774 -6.725 1.00 0.00 ATOM 456 N ILE 74 5.891 -0.995 -7.399 1.00 0.00 ATOM 457 CA ILE 74 6.876 -2.001 -6.963 1.00 0.00 ATOM 458 CB ILE 74 8.056 -2.063 -7.940 1.00 0.00 ATOM 459 CG1 ILE 74 8.738 -0.701 -8.055 1.00 0.00 ATOM 460 CG2 ILE 74 7.551 -2.516 -9.312 1.00 0.00 ATOM 461 CD1 ILE 74 10.128 -0.758 -8.687 1.00 0.00 ATOM 462 O ILE 74 7.446 -0.571 -5.095 1.00 0.00 ATOM 463 C ILE 74 7.357 -1.722 -5.529 1.00 0.00 ATOM 464 N TRP 75 7.757 -2.789 -4.878 1.00 0.00 ATOM 465 CA TRP 75 8.355 -2.715 -3.546 1.00 0.00 ATOM 466 CB TRP 75 7.400 -3.356 -2.526 1.00 0.00 ATOM 467 CG TRP 75 7.925 -3.295 -1.093 1.00 0.00 ATOM 468 CD1 TRP 75 7.948 -2.229 -0.331 1.00 0.00 ATOM 469 CD2 TRP 75 8.468 -4.326 -0.359 1.00 0.00 ATOM 470 CE2 TRP 75 8.804 -3.793 0.878 1.00 0.00 ATOM 471 CE3 TRP 75 8.666 -5.666 -0.640 1.00 0.00 ATOM 472 NE1 TRP 75 8.480 -2.514 0.863 1.00 0.00 ATOM 473 CZ2 TRP 75 9.363 -4.614 1.843 1.00 0.00 ATOM 474 CZ3 TRP 75 9.214 -6.478 0.325 1.00 0.00 ATOM 475 CH2 TRP 75 9.571 -5.952 1.560 1.00 0.00 ATOM 476 O TRP 75 9.894 -4.291 -4.514 1.00 0.00 ATOM 477 C TRP 75 9.703 -3.444 -3.647 1.00 0.00 ATOM 478 N LYS 76 10.639 -3.013 -2.822 1.00 0.00 ATOM 479 CA LYS 76 11.950 -3.674 -2.815 1.00 0.00 ATOM 480 CB LYS 76 13.083 -2.640 -2.903 1.00 0.00 ATOM 481 CG LYS 76 14.411 -3.392 -2.966 1.00 0.00 ATOM 482 CD LYS 76 15.595 -2.533 -3.357 1.00 0.00 ATOM 483 CE LYS 76 15.866 -1.409 -2.381 1.00 0.00 ATOM 484 NZ LYS 76 17.260 -0.961 -2.481 1.00 0.00 ATOM 485 O LYS 76 11.702 -4.189 -0.463 1.00 0.00 ATOM 486 C LYS 76 12.061 -4.569 -1.576 1.00 0.00 ATOM 487 N ILE 77 12.457 -5.791 -1.835 1.00 0.00 ATOM 488 CA ILE 77 12.696 -6.810 -0.801 1.00 0.00 ATOM 489 CB ILE 77 11.790 -8.020 -1.032 1.00 0.00 ATOM 490 CG1 ILE 77 12.029 -9.047 0.099 1.00 0.00 ATOM 491 CG2 ILE 77 11.849 -8.641 -2.416 1.00 0.00 ATOM 492 CD1 ILE 77 11.023 -10.161 0.157 1.00 0.00 ATOM 493 O ILE 77 14.732 -7.331 -1.959 1.00 0.00 ATOM 494 C ILE 77 14.162 -7.241 -0.882 1.00 0.00 ATOM 495 N TYR 78 14.682 -7.731 0.234 1.00 0.00 ATOM 496 CA TYR 78 16.034 -8.296 0.260 1.00 0.00 ATOM 497 CB TYR 78 16.871 -7.646 1.354 1.00 0.00 ATOM 498 CG TYR 78 18.350 -8.031 1.306 1.00 0.00 ATOM 499 CD1 TYR 78 19.172 -7.274 0.496 1.00 0.00 ATOM 500 CD2 TYR 78 18.894 -9.037 2.095 1.00 0.00 ATOM 501 CE1 TYR 78 20.530 -7.498 0.458 1.00 0.00 ATOM 502 CE2 TYR 78 20.265 -9.267 2.067 1.00 0.00 ATOM 503 CZ TYR 78 21.086 -8.501 1.255 1.00 0.00 ATOM 504 OH TYR 78 22.430 -8.746 1.228 1.00 0.00 ATOM 505 O TYR 78 15.382 -10.089 1.716 1.00 0.00 ATOM 506 C TYR 78 15.931 -9.763 0.662 1.00 0.00 ATOM 507 N HIS 79 16.458 -10.648 -0.179 1.00 0.00 ATOM 508 CA HIS 79 16.414 -12.044 0.108 1.00 0.00 ATOM 509 CB HIS 79 15.559 -12.789 -0.905 1.00 0.00 ATOM 510 CG HIS 79 15.373 -14.277 -0.601 1.00 0.00 ATOM 511 CD2 HIS 79 14.179 -14.842 -0.482 1.00 0.00 ATOM 512 ND1 HIS 79 16.286 -15.200 -0.317 1.00 0.00 ATOM 513 CE1 HIS 79 15.670 -16.331 0.006 1.00 0.00 ATOM 514 NE2 HIS 79 14.367 -16.096 -0.111 1.00 0.00 ATOM 515 O HIS 79 18.771 -12.184 -0.314 1.00 0.00 ATOM 516 C HIS 79 17.822 -12.569 0.369 1.00 0.00 ATOM 517 N ASN 80 17.954 -13.448 1.357 1.00 0.00 ATOM 518 CA ASN 80 19.240 -14.010 1.686 1.00 0.00 ATOM 519 CB ASN 80 19.172 -14.753 3.004 1.00 0.00 ATOM 520 CG ASN 80 18.885 -13.804 4.141 1.00 0.00 ATOM 521 ND2 ASN 80 18.267 -14.344 5.129 1.00 0.00 ATOM 522 OD1 ASN 80 19.170 -12.612 4.125 1.00 0.00 ATOM 523 O ASN 80 18.982 -15.571 -0.106 1.00 0.00 ATOM 524 C ASN 80 19.759 -14.935 0.607 1.00 0.00 ATOM 525 N GLY 81 21.080 -15.016 0.482 1.00 0.00 ATOM 526 CA GLY 81 21.693 -15.877 -0.522 1.00 0.00 ATOM 527 O GLY 81 21.581 -16.151 -2.916 1.00 0.00 ATOM 528 C GLY 81 21.334 -15.425 -1.952 1.00 0.00 ATOM 529 N VAL 82 20.756 -14.235 -2.076 1.00 0.00 ATOM 530 CA VAL 82 20.378 -13.710 -3.384 1.00 0.00 ATOM 531 CB VAL 82 19.002 -14.207 -3.874 1.00 0.00 ATOM 532 CG1 VAL 82 18.923 -15.702 -4.124 1.00 0.00 ATOM 533 CG2 VAL 82 18.026 -13.948 -2.771 1.00 0.00 ATOM 534 O VAL 82 20.727 -11.664 -2.180 1.00 0.00 ATOM 535 C VAL 82 20.432 -12.199 -3.253 1.00 0.00 ATOM 536 N LEU 83 20.105 -11.541 -4.354 1.00 0.00 ATOM 537 CA LEU 83 20.223 -10.073 -4.385 1.00 0.00 ATOM 538 CB LEU 83 20.609 -9.565 -5.783 1.00 0.00 ATOM 539 CG LEU 83 21.790 -10.268 -6.442 1.00 0.00 ATOM 540 CD1 LEU 83 21.928 -9.793 -7.885 1.00 0.00 ATOM 541 CD2 LEU 83 23.074 -9.976 -5.674 1.00 0.00 ATOM 542 O LEU 83 17.863 -10.053 -3.800 1.00 0.00 ATOM 543 C LEU 83 18.908 -9.420 -3.984 1.00 0.00 ATOM 544 N GLU 84 18.986 -8.092 -3.933 1.00 0.00 ATOM 545 CA GLU 84 17.786 -7.262 -3.727 1.00 0.00 ATOM 546 CB GLU 84 18.115 -5.774 -3.700 1.00 0.00 ATOM 547 CG GLU 84 19.140 -5.403 -2.640 1.00 0.00 ATOM 548 CD GLU 84 19.126 -3.899 -2.424 1.00 0.00 ATOM 549 OE1 GLU 84 19.712 -3.177 -3.260 1.00 0.00 ATOM 550 OE2 GLU 84 18.435 -3.481 -1.486 1.00 0.00 ATOM 551 O GLU 84 17.145 -7.451 -6.014 1.00 0.00 ATOM 552 C GLU 84 16.803 -7.524 -4.832 1.00 0.00 ATOM 553 N PHE 85 15.564 -7.833 -4.458 1.00 0.00 ATOM 554 CA PHE 85 14.524 -8.106 -5.443 1.00 0.00 ATOM 555 CB PHE 85 13.714 -9.357 -5.122 1.00 0.00 ATOM 556 CG PHE 85 14.496 -10.638 -5.323 1.00 0.00 ATOM 557 CD1 PHE 85 14.533 -11.235 -6.573 1.00 0.00 ATOM 558 CD2 PHE 85 15.079 -11.249 -4.237 1.00 0.00 ATOM 559 CE1 PHE 85 15.168 -12.468 -6.723 1.00 0.00 ATOM 560 CE2 PHE 85 15.666 -12.475 -4.410 1.00 0.00 ATOM 561 CZ PHE 85 15.732 -13.103 -5.637 1.00 0.00 ATOM 562 O PHE 85 13.376 -6.281 -4.419 1.00 0.00 ATOM 563 C PHE 85 13.479 -6.998 -5.391 1.00 0.00 ATOM 564 N CYS 86 12.812 -6.835 -6.454 1.00 0.00 ATOM 565 CA CYS 86 11.628 -6.008 -6.566 1.00 0.00 ATOM 566 CB CYS 86 11.807 -5.009 -7.704 1.00 0.00 ATOM 567 SG CYS 86 13.305 -3.999 -7.448 1.00 0.00 ATOM 568 O CYS 86 10.355 -7.743 -7.630 1.00 0.00 ATOM 569 C CYS 86 10.383 -6.867 -6.764 1.00 0.00 ATOM 570 N ILE 87 9.354 -6.614 -5.962 1.00 0.00 ATOM 571 CA ILE 87 8.136 -7.362 -6.068 1.00 0.00 ATOM 572 CB ILE 87 7.602 -7.703 -4.668 1.00 0.00 ATOM 573 CG1 ILE 87 8.563 -8.687 -3.994 1.00 0.00 ATOM 574 CG2 ILE 87 6.197 -8.299 -4.758 1.00 0.00 ATOM 575 CD1 ILE 87 8.347 -8.817 -2.482 1.00 0.00 ATOM 576 O ILE 87 6.912 -5.322 -6.421 1.00 0.00 ATOM 577 C ILE 87 7.232 -6.429 -6.866 1.00 0.00 ATOM 578 N ILE 88 7.040 -6.822 -8.116 1.00 0.00 ATOM 579 CA ILE 88 6.367 -5.954 -9.097 1.00 0.00 ATOM 580 CB ILE 88 7.098 -5.954 -10.454 1.00 0.00 ATOM 581 CG1 ILE 88 8.578 -5.582 -10.274 1.00 0.00 ATOM 582 CG2 ILE 88 6.383 -4.999 -11.440 1.00 0.00 ATOM 583 CD1 ILE 88 9.377 -5.594 -11.566 1.00 0.00 ATOM 584 O ILE 88 4.613 -7.555 -9.375 1.00 0.00 ATOM 585 C ILE 88 4.916 -6.378 -9.181 1.00 0.00 ATOM 586 N THR 89 4.011 -5.416 -9.035 1.00 0.00 ATOM 587 CA THR 89 2.583 -5.705 -9.099 1.00 0.00 ATOM 588 CB THR 89 1.909 -4.994 -7.932 1.00 0.00 ATOM 589 CG2 THR 89 2.347 -5.542 -6.575 1.00 0.00 ATOM 590 OG1 THR 89 2.275 -3.611 -7.987 1.00 0.00 ATOM 591 O THR 89 0.737 -5.084 -10.499 1.00 0.00 ATOM 592 C THR 89 1.965 -5.112 -10.374 1.00 0.00 ATOM 593 N THR 90 2.823 -4.617 -11.266 1.00 0.00 ATOM 594 CA THR 90 2.407 -3.840 -12.455 1.00 0.00 ATOM 595 CB THR 90 3.585 -3.492 -13.367 1.00 0.00 ATOM 596 CG2 THR 90 3.149 -2.741 -14.626 1.00 0.00 ATOM 597 OG1 THR 90 4.525 -2.667 -12.664 1.00 0.00 ATOM 598 O THR 90 0.420 -4.029 -13.752 1.00 0.00 ATOM 599 C THR 90 1.361 -4.629 -13.245 1.00 0.00 ATOM 600 N ASP 91 1.649 -5.906 -13.472 1.00 0.00 ATOM 601 CA ASP 91 0.605 -6.784 -14.022 1.00 0.00 ATOM 602 CB ASP 91 1.171 -8.060 -14.657 1.00 0.00 ATOM 603 CG ASP 91 0.096 -8.889 -15.361 1.00 0.00 ATOM 604 OD1 ASP 91 -1.110 -8.618 -15.160 1.00 0.00 ATOM 605 OD2 ASP 91 0.478 -9.889 -16.016 1.00 0.00 ATOM 606 O ASP 91 0.022 -7.743 -11.870 1.00 0.00 ATOM 607 C ASP 91 -0.350 -7.113 -12.864 1.00 0.00 ATOM 608 N GLU 92 -1.574 -6.602 -12.994 1.00 0.00 ATOM 609 CA GLU 92 -2.651 -6.810 -11.999 1.00 0.00 ATOM 610 CB GLU 92 -3.940 -6.219 -12.534 1.00 0.00 ATOM 611 CG GLU 92 -3.943 -4.704 -12.591 1.00 0.00 ATOM 612 CD GLU 92 -5.268 -4.052 -13.030 1.00 0.00 ATOM 613 OE1 GLU 92 -6.196 -4.756 -13.476 1.00 0.00 ATOM 614 OE2 GLU 92 -5.396 -2.825 -12.853 1.00 0.00 ATOM 615 O GLU 92 -3.397 -8.615 -10.604 1.00 0.00 ATOM 616 C GLU 92 -2.949 -8.275 -11.698 1.00 0.00 ATOM 617 N ASN 93 -2.700 -9.156 -12.663 1.00 0.00 ATOM 618 CA ASN 93 -2.942 -10.585 -12.500 1.00 0.00 ATOM 619 CB ASN 93 -2.531 -11.306 -13.766 1.00 0.00 ATOM 620 CG ASN 93 -3.469 -11.009 -14.923 1.00 0.00 ATOM 621 ND2 ASN 93 -2.966 -11.330 -16.085 1.00 0.00 ATOM 622 OD1 ASN 93 -4.654 -10.694 -14.814 1.00 0.00 ATOM 623 O ASN 93 -2.656 -11.906 -10.529 1.00 0.00 ATOM 624 C ASN 93 -2.114 -11.176 -11.359 1.00 0.00 ATOM 625 N GLU 94 -0.922 -10.616 -11.194 1.00 0.00 ATOM 626 CA GLU 94 0.055 -11.035 -10.181 1.00 0.00 ATOM 627 CB GLU 94 1.479 -10.512 -10.731 1.00 0.00 ATOM 628 CG GLU 94 2.043 -11.272 -11.934 1.00 0.00 ATOM 629 CD GLU 94 2.248 -12.756 -11.645 1.00 0.00 ATOM 630 OE1 GLU 94 2.960 -13.092 -10.676 1.00 0.00 ATOM 631 OE2 GLU 94 1.693 -13.587 -12.394 1.00 0.00 ATOM 632 O GLU 94 0.253 -11.276 -7.800 1.00 0.00 ATOM 633 C GLU 94 -0.171 -10.585 -8.730 1.00 0.00 ATOM 634 N CYS 95 -1.082 -9.636 -8.528 1.00 0.00 ATOM 635 CA CYS 95 -1.230 -8.989 -7.214 1.00 0.00 ATOM 636 CB CYS 95 -0.780 -7.524 -7.260 1.00 0.00 ATOM 637 SG CYS 95 -0.587 -6.895 -5.558 1.00 0.00 ATOM 638 O CYS 95 -3.590 -8.476 -7.502 1.00 0.00 ATOM 639 C CYS 95 -2.664 -8.801 -6.722 1.00 0.00 ATOM 640 N ASN 96 -2.885 -8.853 -5.412 1.00 0.00 ATOM 641 CA ASN 96 -4.152 -8.507 -4.798 1.00 0.00 ATOM 642 CB ASN 96 -4.469 -9.270 -3.593 1.00 0.00 ATOM 643 CG ASN 96 -4.675 -10.740 -3.915 1.00 0.00 ATOM 644 ND2 ASN 96 -4.902 -11.551 -2.887 1.00 0.00 ATOM 645 OD1 ASN 96 -4.634 -11.140 -5.081 1.00 0.00 ATOM 646 O ASN 96 -4.034 -6.184 -5.391 1.00 0.00 ATOM 647 C ASN 96 -4.629 -7.060 -4.759 1.00 0.00 ATOM 648 N TRP 97 -5.703 -6.808 -4.016 1.00 0.00 ATOM 649 CA TRP 97 -6.268 -5.427 -3.898 1.00 0.00 ATOM 650 CB TRP 97 -7.424 -5.489 -2.926 1.00 0.00 ATOM 651 CG TRP 97 -7.050 -5.768 -1.474 1.00 0.00 ATOM 652 CD1 TRP 97 -7.016 -6.947 -0.887 1.00 0.00 ATOM 653 CD2 TRP 97 -6.696 -4.822 -0.531 1.00 0.00 ATOM 654 CE2 TRP 97 -6.421 -5.518 0.630 1.00 0.00 ATOM 655 CE3 TRP 97 -6.585 -3.437 -0.551 1.00 0.00 ATOM 656 NE1 TRP 97 -6.619 -6.790 0.377 1.00 0.00 ATOM 657 CZ2 TRP 97 -6.022 -4.861 1.766 1.00 0.00 ATOM 658 CZ3 TRP 97 -6.184 -2.777 0.596 1.00 0.00 ATOM 659 CH2 TRP 97 -5.897 -3.481 1.755 1.00 0.00 ATOM 660 O TRP 97 -5.479 -3.155 -3.671 1.00 0.00 ATOM 661 C TRP 97 -5.316 -4.335 -3.354 1.00 0.00 ATOM 662 N MET 98 -4.340 -4.736 -2.547 1.00 0.00 ATOM 663 CA MET 98 -3.388 -3.787 -1.982 1.00 0.00 ATOM 664 CB MET 98 -2.159 -4.820 -1.368 1.00 0.00 ATOM 665 CG MET 98 -1.462 -4.513 -0.039 1.00 0.00 ATOM 666 SD MET 98 -2.539 -4.652 1.437 1.00 0.00 ATOM 667 CE MET 98 -3.066 -6.310 1.196 1.00 0.00 ATOM 668 O MET 98 -2.132 -1.925 -2.781 1.00 0.00 ATOM 669 C MET 98 -2.599 -3.036 -3.049 1.00 0.00 ATOM 670 N MET 99 -2.536 -3.616 -4.251 1.00 0.00 ATOM 671 CA MET 99 -1.952 -2.988 -5.458 1.00 0.00 ATOM 672 CB MET 99 -2.428 -3.777 -6.684 1.00 0.00 ATOM 673 CG MET 99 -1.586 -3.511 -7.926 1.00 0.00 ATOM 674 SD MET 99 -2.341 -4.175 -9.446 1.00 0.00 ATOM 675 CE MET 99 -3.611 -2.942 -9.655 1.00 0.00 ATOM 676 O MET 99 -1.764 -0.686 -6.145 1.00 0.00 ATOM 677 C MET 99 -2.489 -1.570 -5.694 1.00 0.00 ATOM 678 N PHE 100 -3.763 -1.410 -5.336 1.00 0.00 ATOM 679 CA PHE 100 -4.520 -0.169 -5.548 1.00 0.00 ATOM 680 CB PHE 100 -6.057 -0.551 -5.636 1.00 0.00 ATOM 681 CG PHE 100 -6.452 -1.052 -7.008 1.00 0.00 ATOM 682 CD1 PHE 100 -6.671 -0.137 -8.008 1.00 0.00 ATOM 683 CD2 PHE 100 -6.605 -2.400 -7.286 1.00 0.00 ATOM 684 CE1 PHE 100 -7.028 -0.527 -9.255 1.00 0.00 ATOM 685 CE2 PHE 100 -6.947 -2.828 -8.574 1.00 0.00 ATOM 686 CZ PHE 100 -7.154 -1.882 -9.546 1.00 0.00 ATOM 687 O PHE 100 -4.447 2.123 -4.928 1.00 0.00 ATOM 688 C PHE 100 -4.187 0.966 -4.594 1.00 0.00 ATOM 689 N VAL 101 -3.759 0.631 -3.375 1.00 0.00 ATOM 690 CA VAL 101 -3.446 1.664 -2.354 1.00 0.00 ATOM 691 CB VAL 101 -2.838 1.053 -1.064 1.00 0.00 ATOM 692 CG1 VAL 101 -2.570 2.157 -0.045 1.00 0.00 ATOM 693 CG2 VAL 101 -3.770 0.008 -0.468 1.00 0.00 ATOM 694 O VAL 101 -1.379 2.326 -3.422 1.00 0.00 ATOM 695 C VAL 101 -2.468 2.670 -2.979 1.00 0.00 ATOM 696 N ARG 102 -2.969 3.893 -3.039 1.00 0.00 ATOM 697 CA ARG 102 -2.180 5.001 -3.580 1.00 0.00 ATOM 698 CB ARG 102 -3.081 6.175 -3.960 1.00 0.00 ATOM 699 CG ARG 102 -4.018 5.880 -5.135 1.00 0.00 ATOM 700 CD ARG 102 -3.228 5.766 -6.430 1.00 0.00 ATOM 701 NE ARG 102 -2.657 7.076 -6.800 1.00 0.00 ATOM 702 CZ ARG 102 -1.835 7.254 -7.839 1.00 0.00 ATOM 703 NH1 ARG 102 -1.394 8.459 -8.157 1.00 0.00 ATOM 704 NH2 ARG 102 -1.452 6.232 -8.583 1.00 0.00 ATOM 705 O ARG 102 -1.316 5.287 -1.331 1.00 0.00 ATOM 706 C ARG 102 -1.160 5.469 -2.533 1.00 0.00 ATOM 707 N LYS 103 -0.061 5.994 -3.040 1.00 0.00 ATOM 708 CA LYS 103 0.972 6.541 -2.164 1.00 0.00 ATOM 709 CB LYS 103 2.354 6.343 -2.779 1.00 0.00 ATOM 710 CG LYS 103 2.748 4.867 -2.888 1.00 0.00 ATOM 711 CD LYS 103 4.121 4.753 -3.538 1.00 0.00 ATOM 712 CE LYS 103 4.496 3.276 -3.597 1.00 0.00 ATOM 713 NZ LYS 103 5.818 3.107 -4.187 1.00 0.00 ATOM 714 O LYS 103 0.295 8.711 -2.908 1.00 0.00 ATOM 715 C LYS 103 0.668 8.025 -1.956 1.00 0.00 ATOM 716 N ALA 104 0.740 8.434 -0.706 1.00 0.00 ATOM 717 CA ALA 104 0.506 9.845 -0.352 1.00 0.00 ATOM 718 CB ALA 104 0.401 10.025 1.166 1.00 0.00 ATOM 719 O ALA 104 2.812 10.170 -0.844 1.00 0.00 ATOM 720 C ALA 104 1.676 10.665 -0.815 1.00 0.00 ATOM 721 N ARG 105 1.403 11.940 -1.246 1.00 0.00 ATOM 722 CA ARG 105 2.527 12.775 -1.659 1.00 0.00 ATOM 723 CB ARG 105 2.066 13.706 -2.771 1.00 0.00 ATOM 724 CG ARG 105 1.795 12.928 -4.048 1.00 0.00 ATOM 725 CD ARG 105 1.497 13.939 -5.136 1.00 0.00 ATOM 726 NE ARG 105 1.222 13.314 -6.434 1.00 0.00 ATOM 727 CZ ARG 105 0.038 12.822 -6.769 1.00 0.00 ATOM 728 NH1 ARG 105 -1.035 12.923 -6.014 1.00 0.00 ATOM 729 NH2 ARG 105 -0.098 12.145 -7.882 1.00 0.00 ATOM 730 O ARG 105 2.267 14.003 0.372 1.00 0.00 ATOM 731 C ARG 105 3.054 13.539 -0.446 1.00 0.00 ATOM 732 N ASN 106 4.332 13.266 -0.172 1.00 0.00 ATOM 733 CA ASN 106 4.999 13.754 1.048 1.00 0.00 ATOM 734 CB ASN 106 4.988 15.285 1.096 1.00 0.00 ATOM 735 CG ASN 106 5.809 15.842 -0.055 1.00 0.00 ATOM 736 ND2 ASN 106 5.379 16.979 -0.553 1.00 0.00 ATOM 737 OD1 ASN 106 6.820 15.298 -0.451 1.00 0.00 ATOM 738 O ASN 106 4.335 13.831 3.379 1.00 0.00 ATOM 739 C ASN 106 4.336 13.212 2.323 1.00 0.00 ATOM 740 N ARG 107 3.722 12.024 2.184 1.00 0.00 ATOM 741 CA ARG 107 2.875 11.416 3.224 1.00 0.00 ATOM 742 CB ARG 107 3.567 10.394 4.143 1.00 0.00 ATOM 743 CG ARG 107 4.985 10.680 4.613 1.00 0.00 ATOM 744 CD ARG 107 5.591 9.448 5.302 1.00 0.00 ATOM 745 NE ARG 107 6.905 9.735 5.892 1.00 0.00 ATOM 746 CZ ARG 107 8.038 9.928 5.217 1.00 0.00 ATOM 747 NH1 ARG 107 9.173 10.222 5.834 1.00 0.00 ATOM 748 NH2 ARG 107 8.040 9.893 3.892 1.00 0.00 ATOM 749 O ARG 107 1.988 12.683 5.059 1.00 0.00 ATOM 750 C ARG 107 1.957 12.464 3.847 1.00 0.00 ATOM 751 N GLU 108 1.143 13.108 3.018 1.00 0.00 ATOM 752 CA GLU 108 0.240 14.109 3.504 1.00 0.00 ATOM 753 CB GLU 108 -0.421 14.859 2.345 1.00 0.00 ATOM 754 CG GLU 108 -1.412 15.932 2.852 1.00 0.00 ATOM 755 CD GLU 108 -2.060 16.748 1.734 1.00 0.00 ATOM 756 OE1 GLU 108 -1.793 16.386 0.565 1.00 0.00 ATOM 757 OE2 GLU 108 -2.658 17.805 2.029 1.00 0.00 ATOM 758 O GLU 108 -0.725 13.645 5.630 1.00 0.00 ATOM 759 C GLU 108 -0.729 13.421 4.419 1.00 0.00 ATOM 760 N GLU 109 -1.573 12.569 3.846 1.00 0.00 ATOM 761 CA GLU 109 -2.559 11.838 4.634 1.00 0.00 ATOM 762 CB GLU 109 -4.027 12.440 4.261 1.00 0.00 ATOM 763 CG GLU 109 -4.029 13.833 3.652 1.00 0.00 ATOM 764 CD GLU 109 -3.948 14.942 4.692 1.00 0.00 ATOM 765 OE1 GLU 109 -4.202 14.675 5.896 1.00 0.00 ATOM 766 OE2 GLU 109 -3.629 16.092 4.303 1.00 0.00 ATOM 767 O GLU 109 -2.799 9.452 4.222 1.00 0.00 ATOM 768 C GLU 109 -2.172 10.370 4.752 1.00 0.00 ATOM 769 N GLN 110 -0.989 10.198 5.315 1.00 0.00 ATOM 770 CA GLN 110 -0.500 8.839 5.488 1.00 0.00 ATOM 771 CB GLN 110 0.967 8.832 5.885 1.00 0.00 ATOM 772 CG GLN 110 1.207 9.226 7.337 1.00 0.00 ATOM 773 CD GLN 110 2.650 9.012 7.716 1.00 0.00 ATOM 774 OE1 GLN 110 3.471 8.582 6.921 1.00 0.00 ATOM 775 NE2 GLN 110 2.967 9.358 8.929 1.00 0.00 ATOM 776 O GLN 110 -1.689 8.557 7.578 1.00 0.00 ATOM 777 C GLN 110 -1.378 8.083 6.485 1.00 0.00 ATOM 778 N ASN 111 -1.791 6.933 6.014 1.00 0.00 ATOM 779 CA ASN 111 -2.625 6.038 6.842 1.00 0.00 ATOM 780 CB ASN 111 -4.023 5.840 6.254 1.00 0.00 ATOM 781 CG ASN 111 -4.796 7.152 6.199 1.00 0.00 ATOM 782 ND2 ASN 111 -4.967 7.630 4.997 1.00 0.00 ATOM 783 OD1 ASN 111 -5.176 7.745 7.197 1.00 0.00 ATOM 784 O ASN 111 -2.101 4.003 7.939 1.00 0.00 ATOM 785 C ASN 111 -2.007 4.667 6.929 1.00 0.00 ATOM 786 N LEU 112 -1.386 4.240 5.845 1.00 0.00 ATOM 787 CA LEU 112 -0.818 2.889 5.780 1.00 0.00 ATOM 788 CB LEU 112 -1.299 2.141 4.552 1.00 0.00 ATOM 789 CG LEU 112 -2.826 1.992 4.493 1.00 0.00 ATOM 790 CD1 LEU 112 -3.163 1.368 3.153 1.00 0.00 ATOM 791 CD2 LEU 112 -3.370 1.095 5.597 1.00 0.00 ATOM 792 O LEU 112 1.342 3.769 5.084 1.00 0.00 ATOM 793 C LEU 112 0.710 2.957 5.768 1.00 0.00 ATOM 794 N VAL 113 1.242 2.053 6.567 1.00 0.00 ATOM 795 CA VAL 113 2.683 1.815 6.686 1.00 0.00 ATOM 796 CB VAL 113 3.205 2.044 8.112 1.00 0.00 ATOM 797 CG1 VAL 113 3.107 3.515 8.519 1.00 0.00 ATOM 798 CG2 VAL 113 2.471 1.199 9.147 1.00 0.00 ATOM 799 O VAL 113 2.093 -0.505 6.489 1.00 0.00 ATOM 800 C VAL 113 2.955 0.350 6.318 1.00 0.00 ATOM 801 N ALA 114 4.199 0.071 6.001 1.00 0.00 ATOM 802 CA ALA 114 4.599 -1.284 5.617 1.00 0.00 ATOM 803 CB ALA 114 5.502 -1.224 4.410 1.00 0.00 ATOM 804 O ALA 114 6.258 -1.362 7.358 1.00 0.00 ATOM 805 C ALA 114 5.367 -1.953 6.752 1.00 0.00 ATOM 806 N TYR 115 4.939 -3.166 7.037 1.00 0.00 ATOM 807 CA TYR 115 5.603 -3.988 8.062 1.00 0.00 ATOM 808 CB TYR 115 4.828 -3.962 9.371 1.00 0.00 ATOM 809 CG TYR 115 5.462 -4.859 10.444 1.00 0.00 ATOM 810 CD1 TYR 115 6.533 -4.335 11.157 1.00 0.00 ATOM 811 CD2 TYR 115 4.997 -6.135 10.757 1.00 0.00 ATOM 812 CE1 TYR 115 7.114 -5.091 12.169 1.00 0.00 ATOM 813 CE2 TYR 115 5.575 -6.881 11.766 1.00 0.00 ATOM 814 CZ TYR 115 6.655 -6.355 12.477 1.00 0.00 ATOM 815 OH TYR 115 7.220 -7.050 13.495 1.00 0.00 ATOM 816 O TYR 115 4.880 -6.040 7.073 1.00 0.00 ATOM 817 C TYR 115 5.829 -5.401 7.534 1.00 0.00 ATOM 818 N PRO 116 7.088 -5.815 7.511 1.00 0.00 ATOM 819 CA PRO 116 7.427 -7.174 7.082 1.00 0.00 ATOM 820 CB PRO 116 8.886 -7.041 6.679 1.00 0.00 ATOM 821 CG PRO 116 9.404 -6.120 7.749 1.00 0.00 ATOM 822 CD PRO 116 8.313 -5.048 7.819 1.00 0.00 ATOM 823 O PRO 116 7.268 -8.000 9.337 1.00 0.00 ATOM 824 C PRO 116 7.055 -8.195 8.151 1.00 0.00 ATOM 825 N HIS 117 6.421 -9.274 7.707 1.00 0.00 ATOM 826 CA HIS 117 6.075 -10.401 8.591 1.00 0.00 ATOM 827 CB HIS 117 4.671 -10.259 9.174 1.00 0.00 ATOM 828 CG HIS 117 4.319 -11.386 10.144 1.00 0.00 ATOM 829 CD2 HIS 117 3.507 -12.444 9.947 1.00 0.00 ATOM 830 ND1 HIS 117 4.772 -11.434 11.389 1.00 0.00 ATOM 831 CE1 HIS 117 4.277 -12.537 11.946 1.00 0.00 ATOM 832 NE2 HIS 117 3.490 -13.155 11.080 1.00 0.00 ATOM 833 O HIS 117 5.612 -11.749 6.677 1.00 0.00 ATOM 834 C HIS 117 6.163 -11.687 7.770 1.00 0.00 ATOM 835 N ASP 118 7.065 -12.559 8.207 1.00 0.00 ATOM 836 CA ASP 118 7.275 -13.870 7.525 1.00 0.00 ATOM 837 CB ASP 118 6.343 -14.924 7.940 1.00 0.00 ATOM 838 CG ASP 118 6.690 -15.454 9.307 1.00 0.00 ATOM 839 OD1 ASP 118 7.815 -15.200 9.808 1.00 0.00 ATOM 840 OD2 ASP 118 5.871 -16.135 9.971 1.00 0.00 ATOM 841 O ASP 118 7.338 -14.416 5.190 1.00 0.00 ATOM 842 C ASP 118 7.738 -13.672 6.086 1.00 0.00 ATOM 843 N GLY 119 8.581 -12.668 5.866 1.00 0.00 ATOM 844 CA GLY 119 9.093 -12.385 4.523 1.00 0.00 ATOM 845 O GLY 119 8.448 -11.359 2.452 1.00 0.00 ATOM 846 C GLY 119 8.118 -11.663 3.600 1.00 0.00 ATOM 847 N LYS 120 6.918 -11.386 4.101 1.00 0.00 ATOM 848 CA LYS 120 5.907 -10.695 3.307 1.00 0.00 ATOM 849 CB LYS 120 4.559 -11.407 3.483 1.00 0.00 ATOM 850 CG LYS 120 4.552 -12.885 3.105 1.00 0.00 ATOM 851 CD LYS 120 4.996 -13.105 1.653 1.00 0.00 ATOM 852 CE LYS 120 4.958 -14.591 1.348 1.00 0.00 ATOM 853 NZ LYS 120 5.321 -14.874 -0.045 1.00 0.00 ATOM 854 O LYS 120 6.253 -8.914 4.876 1.00 0.00 ATOM 855 C LYS 120 5.808 -9.248 3.777 1.00 0.00 ATOM 856 N ILE 121 5.223 -8.392 2.946 1.00 0.00 ATOM 857 CA ILE 121 5.074 -6.994 3.295 1.00 0.00 ATOM 858 CB ILE 121 5.707 -6.073 2.232 1.00 0.00 ATOM 859 CG1 ILE 121 5.524 -4.596 2.576 1.00 0.00 ATOM 860 CG2 ILE 121 5.229 -6.358 0.802 1.00 0.00 ATOM 861 CD1 ILE 121 6.349 -4.313 3.827 1.00 0.00 ATOM 862 O ILE 121 2.792 -6.765 2.584 1.00 0.00 ATOM 863 C ILE 121 3.600 -6.654 3.507 1.00 0.00 ATOM 864 N PHE 122 3.255 -6.240 4.722 1.00 0.00 ATOM 865 CA PHE 122 1.875 -5.885 5.036 1.00 0.00 ATOM 866 CB PHE 122 1.474 -6.497 6.376 1.00 0.00 ATOM 867 CG PHE 122 1.461 -8.012 6.402 1.00 0.00 ATOM 868 CD1 PHE 122 0.276 -8.684 6.142 1.00 0.00 ATOM 869 CD2 PHE 122 2.618 -8.733 6.686 1.00 0.00 ATOM 870 CE1 PHE 122 0.227 -10.071 6.172 1.00 0.00 ATOM 871 CE2 PHE 122 2.566 -10.122 6.706 1.00 0.00 ATOM 872 CZ PHE 122 1.384 -10.792 6.456 1.00 0.00 ATOM 873 O PHE 122 2.736 -3.699 5.479 1.00 0.00 ATOM 874 C PHE 122 1.756 -4.379 5.187 1.00 0.00 ATOM 875 N PHE 123 0.539 -3.868 5.028 1.00 0.00 ATOM 876 CA PHE 123 0.231 -2.461 5.254 1.00 0.00 ATOM 877 CB PHE 123 -0.384 -1.810 4.025 1.00 0.00 ATOM 878 CG PHE 123 0.455 -1.854 2.750 1.00 0.00 ATOM 879 CD1 PHE 123 -0.189 -1.848 1.517 1.00 0.00 ATOM 880 CD2 PHE 123 1.837 -1.831 2.837 1.00 0.00 ATOM 881 CE1 PHE 123 0.578 -1.826 0.355 1.00 0.00 ATOM 882 CE2 PHE 123 2.597 -1.807 1.687 1.00 0.00 ATOM 883 CZ PHE 123 1.962 -1.800 0.452 1.00 0.00 ATOM 884 O PHE 123 -1.911 -2.586 6.363 1.00 0.00 ATOM 885 C PHE 123 -0.728 -2.285 6.430 1.00 0.00 ATOM 886 N CYS 124 -0.193 -1.666 7.467 1.00 0.00 ATOM 887 CA CYS 124 -0.916 -1.389 8.716 1.00 0.00 ATOM 888 CB CYS 124 0.002 -1.664 9.893 1.00 0.00 ATOM 889 SG CYS 124 0.674 -3.360 9.873 1.00 0.00 ATOM 890 O CYS 124 -0.717 0.967 8.270 1.00 0.00 ATOM 891 C CYS 124 -1.388 0.068 8.763 1.00 0.00 ATOM 892 N THR 125 -2.500 0.271 9.455 1.00 0.00 ATOM 893 CA THR 125 -3.119 1.610 9.560 1.00 0.00 ATOM 894 CB THR 125 -4.655 1.544 9.626 1.00 0.00 ATOM 895 CG2 THR 125 -5.244 0.697 8.496 1.00 0.00 ATOM 896 OG1 THR 125 -5.070 0.961 10.843 1.00 0.00 ATOM 897 O THR 125 -2.398 1.977 11.831 1.00 0.00 ATOM 898 C THR 125 -2.516 2.416 10.710 1.00 0.00 ATOM 899 N SER 126 -1.721 3.393 10.388 1.00 0.00 ATOM 900 CA SER 126 -0.987 4.238 11.341 1.00 0.00 ATOM 901 CB SER 126 -0.382 5.308 10.032 1.00 0.00 ATOM 902 OG SER 126 -1.181 6.471 10.169 1.00 0.00 ATOM 903 O SER 126 -1.641 5.050 13.508 1.00 0.00 ATOM 904 C SER 126 -1.945 4.923 12.324 1.00 0.00 ATOM 905 N GLN 127 -3.097 5.319 11.793 1.00 0.00 ATOM 906 CA GLN 127 -4.139 6.066 12.511 1.00 0.00 ATOM 907 CB GLN 127 -4.157 7.545 12.096 1.00 0.00 ATOM 908 CG GLN 127 -2.942 8.324 12.571 1.00 0.00 ATOM 909 CD GLN 127 -3.014 9.810 12.263 1.00 0.00 ATOM 910 OE1 GLN 127 -3.817 10.538 12.845 1.00 0.00 ATOM 911 NE2 GLN 127 -2.145 10.271 11.373 1.00 0.00 ATOM 912 O GLN 127 -5.611 4.822 11.082 1.00 0.00 ATOM 913 C GLN 127 -5.504 5.536 12.079 1.00 0.00 ATOM 914 N ASP 128 -6.543 5.886 12.829 1.00 0.00 ATOM 915 CA ASP 128 -7.879 5.441 12.509 1.00 0.00 ATOM 916 CB ASP 128 -8.852 5.627 13.678 1.00 0.00 ATOM 917 CG ASP 128 -8.960 7.065 14.163 1.00 0.00 ATOM 918 OD1 ASP 128 -8.179 7.394 15.066 1.00 0.00 ATOM 919 OD2 ASP 128 -9.884 7.752 13.680 1.00 0.00 ATOM 920 O ASP 128 -8.095 7.297 10.965 1.00 0.00 ATOM 921 C ASP 128 -8.349 6.129 11.236 1.00 0.00 ATOM 922 N ILE 129 -8.914 5.302 10.395 1.00 0.00 ATOM 923 CA ILE 129 -9.323 5.736 9.064 1.00 0.00 ATOM 924 CB ILE 129 -8.772 4.742 8.059 1.00 0.00 ATOM 925 CG1 ILE 129 -7.249 4.897 8.032 1.00 0.00 ATOM 926 CG2 ILE 129 -9.330 5.009 6.670 1.00 0.00 ATOM 927 CD1 ILE 129 -6.642 3.570 7.639 1.00 0.00 ATOM 928 O ILE 129 -11.524 4.805 9.152 1.00 0.00 ATOM 929 C ILE 129 -10.846 5.816 8.970 1.00 0.00 ATOM 930 N PRO 130 -11.372 7.025 8.699 1.00 0.00 ATOM 931 CA PRO 130 -12.826 7.162 8.647 1.00 0.00 ATOM 932 CB PRO 130 -13.035 8.671 8.783 1.00 0.00 ATOM 933 CG PRO 130 -11.828 9.265 8.170 1.00 0.00 ATOM 934 CD PRO 130 -10.690 8.320 8.495 1.00 0.00 ATOM 935 O PRO 130 -12.570 6.409 6.415 1.00 0.00 ATOM 936 C PRO 130 -13.368 6.580 7.328 1.00 0.00 ATOM 937 N PRO 131 -14.684 6.377 7.207 1.00 0.00 ATOM 938 CA PRO 131 -15.314 5.997 5.933 1.00 0.00 ATOM 939 CB PRO 131 -16.768 5.750 6.301 1.00 0.00 ATOM 940 CG PRO 131 -17.030 6.721 7.452 1.00 0.00 ATOM 941 CD PRO 131 -15.730 6.552 8.214 1.00 0.00 ATOM 942 O PRO 131 -14.940 8.274 5.271 1.00 0.00 ATOM 943 C PRO 131 -15.121 7.110 4.908 1.00 0.00 ATOM 944 N GLU 132 -15.159 6.753 3.628 1.00 0.00 ATOM 945 CA GLU 132 -14.988 7.737 2.559 1.00 0.00 ATOM 946 CB GLU 132 -16.269 8.148 1.895 1.00 0.00 ATOM 947 CG GLU 132 -17.362 8.873 2.749 1.00 0.00 ATOM 948 CD GLU 132 -18.309 7.980 3.511 1.00 0.00 ATOM 949 OE1 GLU 132 -17.948 6.742 3.691 1.00 0.00 ATOM 950 OE2 GLU 132 -19.385 8.516 3.965 1.00 0.00 ATOM 951 O GLU 132 -13.539 9.626 2.363 1.00 0.00 ATOM 952 C GLU 132 -13.650 8.432 2.645 1.00 0.00 ATOM 953 N ASN 133 -12.622 7.685 3.035 1.00 0.00 ATOM 954 CA ASN 133 -11.282 8.246 3.152 1.00 0.00 ATOM 955 CB ASN 133 -10.826 8.281 4.598 1.00 0.00 ATOM 956 CG ASN 133 -9.512 9.045 4.759 1.00 0.00 ATOM 957 ND2 ASN 133 -9.615 10.219 5.286 1.00 0.00 ATOM 958 OD1 ASN 133 -8.426 8.625 4.383 1.00 0.00 ATOM 959 O ASN 133 -10.323 6.137 2.530 1.00 0.00 ATOM 960 C ASN 133 -10.332 7.357 2.357 1.00 0.00 ATOM 961 N GLU 134 -9.534 7.968 1.488 1.00 0.00 ATOM 962 CA GLU 134 -8.604 7.224 0.695 1.00 0.00 ATOM 963 CB GLU 134 -8.039 8.098 -0.429 1.00 0.00 ATOM 964 CG GLU 134 -7.191 7.292 -1.414 1.00 0.00 ATOM 965 CD GLU 134 -6.572 8.123 -2.548 1.00 0.00 ATOM 966 OE1 GLU 134 -6.806 9.345 -2.624 1.00 0.00 ATOM 967 OE2 GLU 134 -5.854 7.517 -3.380 1.00 0.00 ATOM 968 O GLU 134 -6.827 7.394 2.273 1.00 0.00 ATOM 969 C GLU 134 -7.444 6.680 1.482 1.00 0.00 ATOM 970 N LEU 135 -7.136 5.405 1.271 1.00 0.00 ATOM 971 CA LEU 135 -6.029 4.768 1.974 1.00 0.00 ATOM 972 CB LEU 135 -6.118 3.261 1.988 1.00 0.00 ATOM 973 CG LEU 135 -7.018 2.693 3.061 1.00 0.00 ATOM 974 CD1 LEU 135 -6.841 1.198 2.945 1.00 0.00 ATOM 975 CD2 LEU 135 -6.566 3.084 4.456 1.00 0.00 ATOM 976 O LEU 135 -4.695 4.759 0.009 1.00 0.00 ATOM 977 C LEU 135 -4.798 5.083 1.193 1.00 0.00 ATOM 978 N LEU 136 -3.836 5.723 1.849 1.00 0.00 ATOM 979 CA LEU 136 -2.584 6.083 1.195 1.00 0.00 ATOM 980 CB LEU 136 -2.429 7.609 1.087 1.00 0.00 ATOM 981 CG LEU 136 -3.519 8.284 0.246 1.00 0.00 ATOM 982 CD1 LEU 136 -3.353 9.791 0.334 1.00 0.00 ATOM 983 CD2 LEU 136 -3.387 7.921 -1.223 1.00 0.00 ATOM 984 O LEU 136 -1.438 5.531 3.248 1.00 0.00 ATOM 985 C LEU 136 -1.422 5.524 2.014 1.00 0.00 ATOM 986 N PHE 137 -0.424 5.104 1.277 1.00 0.00 ATOM 987 CA PHE 137 0.791 4.513 1.860 1.00 0.00 ATOM 988 CB PHE 137 1.105 3.219 1.098 1.00 0.00 ATOM 989 CG PHE 137 2.392 2.571 1.592 1.00 0.00 ATOM 990 CD1 PHE 137 2.353 1.705 2.661 1.00 0.00 ATOM 991 CD2 PHE 137 3.596 2.838 0.954 1.00 0.00 ATOM 992 CE1 PHE 137 3.523 1.088 3.065 1.00 0.00 ATOM 993 CE2 PHE 137 4.751 2.215 1.383 1.00 0.00 ATOM 994 CZ PHE 137 4.732 1.329 2.444 1.00 0.00 ATOM 995 O PHE 137 2.257 5.971 0.717 1.00 0.00 ATOM 996 C PHE 137 2.047 5.320 1.730 1.00 0.00 ATOM 997 N TYR 138 2.853 5.257 2.727 1.00 0.00 ATOM 998 CA TYR 138 4.153 5.918 2.592 1.00 0.00 ATOM 999 CB TYR 138 4.365 7.408 2.706 1.00 0.00 ATOM 1000 CG TYR 138 4.898 7.904 1.370 1.00 0.00 ATOM 1001 CD1 TYR 138 4.905 7.129 0.211 1.00 0.00 ATOM 1002 CD2 TYR 138 5.266 9.221 1.320 1.00 0.00 ATOM 1003 CE1 TYR 138 5.256 7.712 -0.989 1.00 0.00 ATOM 1004 CE2 TYR 138 5.618 9.820 0.136 1.00 0.00 ATOM 1005 CZ TYR 138 5.597 9.045 -1.009 1.00 0.00 ATOM 1006 OH TYR 138 5.702 9.625 -2.202 1.00 0.00 ATOM 1007 O TYR 138 4.842 4.740 4.542 1.00 0.00 ATOM 1008 C TYR 138 5.165 5.148 3.438 1.00 0.00 ATOM 1009 N TYR 139 6.306 4.990 2.886 1.00 0.00 ATOM 1010 CA TYR 139 7.359 4.411 3.704 1.00 0.00 ATOM 1011 CB TYR 139 8.510 3.990 2.794 1.00 0.00 ATOM 1012 CG TYR 139 8.049 3.087 1.660 1.00 0.00 ATOM 1013 CD1 TYR 139 7.666 3.646 0.438 1.00 0.00 ATOM 1014 CD2 TYR 139 8.067 1.710 1.806 1.00 0.00 ATOM 1015 CE1 TYR 139 7.305 2.832 -0.626 1.00 0.00 ATOM 1016 CE2 TYR 139 7.708 0.908 0.747 1.00 0.00 ATOM 1017 CZ TYR 139 7.316 1.443 -0.476 1.00 0.00 ATOM 1018 OH TYR 139 6.771 0.666 -1.430 1.00 0.00 ATOM 1019 O TYR 139 7.980 6.598 4.538 1.00 0.00 ATOM 1020 C TYR 139 7.841 5.393 4.776 1.00 0.00 ATOM 1021 N SER 140 7.910 4.879 5.990 1.00 0.00 ATOM 1022 CA SER 140 8.576 5.636 7.067 1.00 0.00 ATOM 1023 CB SER 140 8.445 5.020 8.461 1.00 0.00 ATOM 1024 OG SER 140 9.166 5.828 9.395 1.00 0.00 ATOM 1025 O SER 140 10.595 4.960 5.962 1.00 0.00 ATOM 1026 C SER 140 10.057 5.762 6.726 1.00 0.00 ATOM 1027 N ARG 141 10.714 6.769 7.294 1.00 0.00 ATOM 1028 CA ARG 141 12.127 6.980 7.041 1.00 0.00 ATOM 1029 CB ARG 141 12.663 8.134 7.880 1.00 0.00 ATOM 1030 CG ARG 141 14.121 8.484 7.629 1.00 0.00 ATOM 1031 CD ARG 141 14.617 9.530 8.628 1.00 0.00 ATOM 1032 NE ARG 141 14.662 8.983 9.981 1.00 0.00 ATOM 1033 CZ ARG 141 13.836 9.279 10.973 1.00 0.00 ATOM 1034 NH1 ARG 141 12.850 10.160 10.822 1.00 0.00 ATOM 1035 NH2 ARG 141 14.019 8.701 12.155 1.00 0.00 ATOM 1036 O ARG 141 13.711 5.184 6.714 1.00 0.00 ATOM 1037 C ARG 141 12.894 5.704 7.474 1.00 0.00 ATOM 1038 N ASP 142 12.620 5.220 8.681 1.00 0.00 ATOM 1039 CA ASP 142 13.285 4.022 9.182 1.00 0.00 ATOM 1040 CB ASP 142 12.933 3.795 10.652 1.00 0.00 ATOM 1041 CG ASP 142 13.517 4.875 11.562 1.00 0.00 ATOM 1042 OD1 ASP 142 14.384 5.651 11.115 1.00 0.00 ATOM 1043 OD2 ASP 142 13.020 4.925 12.694 1.00 0.00 ATOM 1044 O ASP 142 13.815 2.014 7.989 1.00 0.00 ATOM 1045 C ASP 142 12.933 2.791 8.352 1.00 0.00 ATOM 1046 N TYR 143 11.654 2.612 8.068 1.00 0.00 ATOM 1047 CA TYR 143 11.220 1.474 7.263 1.00 0.00 ATOM 1048 CB TYR 143 9.692 1.542 7.150 1.00 0.00 ATOM 1049 CG TYR 143 8.951 1.289 8.463 1.00 0.00 ATOM 1050 CD1 TYR 143 9.599 0.775 9.591 1.00 0.00 ATOM 1051 CD2 TYR 143 7.603 1.589 8.535 1.00 0.00 ATOM 1052 CE1 TYR 143 8.904 0.578 10.773 1.00 0.00 ATOM 1053 CE2 TYR 143 6.898 1.391 9.720 1.00 0.00 ATOM 1054 CZ TYR 143 7.555 0.888 10.841 1.00 0.00 ATOM 1055 OH TYR 143 6.869 0.670 11.984 1.00 0.00 ATOM 1056 O TYR 143 12.390 0.521 5.383 1.00 0.00 ATOM 1057 C TYR 143 11.911 1.538 5.889 1.00 0.00 ATOM 1058 N ALA 144 11.960 2.727 5.298 1.00 0.00 ATOM 1059 CA ALA 144 12.595 2.899 3.995 1.00 0.00 ATOM 1060 CB ALA 144 12.308 4.332 3.506 1.00 0.00 ATOM 1061 O ALA 144 14.609 1.871 3.193 1.00 0.00 ATOM 1062 C ALA 144 14.082 2.570 4.059 1.00 0.00 ATOM 1063 N GLN 145 14.758 3.072 5.089 1.00 0.00 ATOM 1064 CA GLN 145 16.205 2.818 5.258 1.00 0.00 ATOM 1065 CB GLN 145 16.752 3.550 6.472 1.00 0.00 ATOM 1066 CG GLN 145 16.782 5.061 6.337 1.00 0.00 ATOM 1067 CD GLN 145 17.237 5.690 7.657 1.00 0.00 ATOM 1068 OE1 GLN 145 17.402 5.082 8.700 1.00 0.00 ATOM 1069 NE2 GLN 145 17.436 6.983 7.611 1.00 0.00 ATOM 1070 O GLN 145 17.294 0.756 4.680 1.00 0.00 ATOM 1071 C GLN 145 16.430 1.309 5.362 1.00 0.00 ATOM 1072 N GLN 146 15.653 0.648 6.215 1.00 0.00 ATOM 1073 CA GLN 146 15.780 -0.795 6.391 1.00 0.00 ATOM 1074 CB GLN 146 14.767 -1.286 7.422 1.00 0.00 ATOM 1075 CG GLN 146 15.041 -2.754 7.721 1.00 0.00 ATOM 1076 CD GLN 146 14.212 -3.276 8.899 1.00 0.00 ATOM 1077 OE1 GLN 146 13.747 -2.580 9.788 1.00 0.00 ATOM 1078 NE2 GLN 146 14.004 -4.558 8.902 1.00 0.00 ATOM 1079 O GLN 146 16.129 -2.587 4.908 1.00 0.00 ATOM 1080 C GLN 146 15.517 -1.544 5.106 1.00 0.00 ATOM 1081 N ILE 147 14.622 -1.029 4.267 1.00 0.00 ATOM 1082 CA ILE 147 14.347 -1.685 2.999 1.00 0.00 ATOM 1083 CB ILE 147 12.821 -1.612 2.761 1.00 0.00 ATOM 1084 CG1 ILE 147 12.100 -2.358 3.904 1.00 0.00 ATOM 1085 CG2 ILE 147 12.442 -2.256 1.435 1.00 0.00 ATOM 1086 CD1 ILE 147 10.576 -2.218 3.865 1.00 0.00 ATOM 1087 O ILE 147 15.133 -1.581 0.745 1.00 0.00 ATOM 1088 C ILE 147 15.228 -1.125 1.867 1.00 0.00 ATOM 1089 N GLY 148 16.127 -0.182 2.160 1.00 0.00 ATOM 1090 CA GLY 148 16.984 0.484 1.153 1.00 0.00 ATOM 1091 O GLY 148 16.637 1.249 -1.104 1.00 0.00 ATOM 1092 C GLY 148 16.188 1.174 0.041 1.00 0.00 ATOM 1093 N VAL 149 14.968 1.586 0.367 1.00 0.00 ATOM 1094 CA VAL 149 14.128 2.328 -0.590 1.00 0.00 ATOM 1095 CB VAL 149 12.624 1.905 -0.460 1.00 0.00 ATOM 1096 CG1 VAL 149 11.767 2.531 -1.549 1.00 0.00 ATOM 1097 CG2 VAL 149 12.450 0.374 -0.500 1.00 0.00 ATOM 1098 O VAL 149 14.196 4.288 0.756 1.00 0.00 ATOM 1099 C VAL 149 14.387 3.825 -0.378 1.00 0.00 ATOM 1100 N PRO 150 14.820 4.520 -1.434 1.00 0.00 ATOM 1101 CA PRO 150 15.096 5.964 -1.389 1.00 0.00 ATOM 1102 CB PRO 150 15.563 6.301 -2.806 1.00 0.00 ATOM 1103 CG PRO 150 16.155 4.989 -3.304 1.00 0.00 ATOM 1104 CD PRO 150 15.176 3.961 -2.750 1.00 0.00 ATOM 1105 O PRO 150 12.718 6.125 -1.190 1.00 0.00 ATOM 1106 C PRO 150 13.797 6.703 -1.038 1.00 0.00 ATOM 1107 N GLU 151 13.978 7.880 -0.442 1.00 0.00 ATOM 1108 CA GLU 151 12.879 8.812 -0.104 1.00 0.00 ATOM 1109 CB GLU 151 13.396 10.184 0.309 1.00 0.00 ATOM 1110 CG GLU 151 14.081 10.228 1.671 1.00 0.00 ATOM 1111 CD GLU 151 15.593 10.270 1.580 1.00 0.00 ATOM 1112 OE1 GLU 151 16.157 9.549 0.729 1.00 0.00 ATOM 1113 OE2 GLU 151 16.218 11.015 2.374 1.00 0.00 ATOM 1114 O GLU 151 12.484 8.790 -2.479 1.00 0.00 ATOM 1115 C GLU 151 12.057 9.167 -1.363 1.00 0.00 TER END