PFRMAT TS TARGET T0484 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 SAM HMMs did not find any strong hits (best was 1hdfA with E-value > METHOD 23, but the target is too short for an 8-strand greek-key fold). METHOD METHOD I had help from Firas Khatib and Josue Samayoa on this target. METHOD We ended up with two meta-server models based mainly on METHOD BAKER-ROBETTA_TS2, two SAM+undertaker models based mainly on 1o06A, METHOD and one metaserver model based on RBO-Proteus_TS4. The first 4 models METHOD were selected mainly because they formed bits of beta structure, as we METHOD had predicted a beta strand for I58-I60. METHOD METHOD All the models agreed on the helix from P14 to L33, and to a lesser METHOD extent, to the residues three on each side of the helix. There is a METHOD possibility that not much more than that will be resolved in the NMR METHOD also. METHOD METHOD Model METHOD 1 T0484.MQAY9-opt3.pdb # < Pcons_dot_net_TS1 =? BAKER-ROBETTA_TS2 METHOD # closest to adding 3rd strand METHOD METHOD 2 T0484.MQAU4-opt3.gromacs0.repack-nonPC.pdb # < Pcons_dot_net_TS1 =? BAKER-ROBETTA_TS2 METHOD # best rosetta energy METHOD METHOD 3 T0484.try11-opt3.pdb # < try7-opt3 < try6-opt3 < align(1o06A?) METHOD # good score not from metaserver METHOD METHOD 4 T0484.try3-opt3.gromacs0.repack-nonPC.pdb # < align(1o06A?) METHOD # best rosetta energy of the 1o06A models METHOD METHOD 5 T0484.MQAY4-opt3.pdb # < RBO-Proteus_TS4 METHOD # another metaserver model, though it doesn't have sheet for I58-I60. METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0484 model 1 Tue Jul 22 10:00:26 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 10.054 6.463 -4.409 1.00 0.00 ATOM 2 CA MET 1 9.135 6.908 -3.349 1.00 0.00 ATOM 3 CB MET 1 8.560 8.292 -3.680 1.00 0.00 ATOM 4 CG MET 1 7.947 9.014 -2.483 1.00 0.00 ATOM 5 SD MET 1 8.768 8.595 -0.916 1.00 0.00 ATOM 6 CE MET 1 7.330 8.366 0.321 1.00 0.00 ATOM 7 O MET 1 7.812 4.998 -3.946 1.00 0.00 ATOM 8 C MET 1 8.284 5.682 -3.038 1.00 0.00 ATOM 9 N ARG 2 8.088 5.407 -1.752 1.00 0.00 ATOM 10 CA ARG 2 7.282 4.254 -1.333 1.00 0.00 ATOM 11 CB ARG 2 7.244 4.136 0.221 1.00 0.00 ATOM 12 CG ARG 2 8.528 4.492 0.968 1.00 0.00 ATOM 13 CD ARG 2 9.803 4.099 0.216 1.00 0.00 ATOM 14 NE ARG 2 9.846 2.692 -0.178 1.00 0.00 ATOM 15 CZ ARG 2 10.924 2.093 -0.686 1.00 0.00 ATOM 16 NH1 ARG 2 12.051 2.770 -0.864 1.00 0.00 ATOM 17 NH2 ARG 2 10.875 0.813 -1.019 1.00 0.00 ATOM 18 O ARG 2 5.208 3.159 -1.964 1.00 0.00 ATOM 19 C ARG 2 5.802 4.231 -1.840 1.00 0.00 ATOM 20 N ASP 3 5.241 5.403 -2.120 1.00 0.00 ATOM 21 CA ASP 3 3.865 5.487 -2.599 1.00 0.00 ATOM 22 CB ASP 3 3.043 6.280 -1.494 1.00 0.00 ATOM 23 CG ASP 3 2.741 5.472 -0.254 1.00 0.00 ATOM 24 OD1 ASP 3 2.486 4.250 -0.382 1.00 0.00 ATOM 25 OD2 ASP 3 2.748 6.059 0.850 1.00 0.00 ATOM 26 O ASP 3 2.685 5.707 -4.676 1.00 0.00 ATOM 27 C ASP 3 3.777 5.590 -4.117 1.00 0.00 ATOM 28 N MET 4 4.927 5.550 -4.784 1.00 0.00 ATOM 29 CA MET 4 4.972 5.639 -6.280 1.00 0.00 ATOM 30 CB MET 4 6.427 5.849 -6.700 1.00 0.00 ATOM 31 CG MET 4 6.950 7.259 -6.430 1.00 0.00 ATOM 32 SD MET 4 8.578 7.421 -7.219 1.00 0.00 ATOM 33 CE MET 4 9.022 9.094 -6.809 1.00 0.00 ATOM 34 O MET 4 4.728 3.254 -6.292 1.00 0.00 ATOM 35 C MET 4 4.506 4.317 -6.873 1.00 0.00 ATOM 36 N THR 5 3.858 4.383 -8.032 1.00 0.00 ATOM 37 CA THR 5 3.368 3.179 -8.693 1.00 0.00 ATOM 38 CB THR 5 2.582 3.543 -9.967 1.00 0.00 ATOM 39 CG2 THR 5 2.044 2.289 -10.639 1.00 0.00 ATOM 40 OG1 THR 5 1.488 4.407 -9.625 1.00 0.00 ATOM 41 O THR 5 5.542 2.696 -9.585 1.00 0.00 ATOM 42 C THR 5 4.518 2.249 -9.067 1.00 0.00 ATOM 43 N GLU 6 4.347 0.958 -8.804 1.00 0.00 ATOM 44 CA GLU 6 5.379 -0.019 -9.122 1.00 0.00 ATOM 45 CB GLU 6 4.964 -1.420 -8.669 1.00 0.00 ATOM 46 CG GLU 6 6.003 -2.499 -8.931 1.00 0.00 ATOM 47 CD GLU 6 5.540 -3.838 -8.426 1.00 0.00 ATOM 48 OE1 GLU 6 4.467 -3.905 -7.876 1.00 0.00 ATOM 49 OE2 GLU 6 6.206 -4.812 -8.688 1.00 0.00 ATOM 50 O GLU 6 6.867 0.024 -11.003 1.00 0.00 ATOM 51 C GLU 6 5.700 -0.030 -10.613 1.00 0.00 ATOM 52 N GLU 7 4.664 -0.099 -11.442 1.00 0.00 ATOM 53 CA GLU 7 4.855 -0.114 -12.887 1.00 0.00 ATOM 54 CB GLU 7 3.483 -0.284 -13.541 1.00 0.00 ATOM 55 CG GLU 7 2.907 -1.683 -13.373 1.00 0.00 ATOM 56 CD GLU 7 2.198 -1.946 -12.036 1.00 0.00 ATOM 57 OE1 GLU 7 2.208 -1.122 -11.091 1.00 0.00 ATOM 58 OE2 GLU 7 1.573 -3.023 -11.925 1.00 0.00 ATOM 59 O GLU 7 6.369 1.131 -14.281 1.00 0.00 ATOM 60 C GLU 7 5.509 1.152 -13.402 1.00 0.00 ATOM 61 N THR 8 4.976 2.087 -12.887 1.00 0.00 ATOM 62 CA THR 8 5.537 3.385 -13.221 1.00 0.00 ATOM 63 CB THR 8 4.822 4.533 -12.501 1.00 0.00 ATOM 64 CG2 THR 8 3.367 4.598 -12.960 1.00 0.00 ATOM 65 OG1 THR 8 4.859 4.332 -11.081 1.00 0.00 ATOM 66 O THR 8 7.833 3.905 -13.684 1.00 0.00 ATOM 67 C THR 8 7.020 3.465 -12.872 1.00 0.00 ATOM 68 N ARG 9 7.368 3.038 -11.662 1.00 0.00 ATOM 69 CA ARG 9 8.756 3.066 -11.224 1.00 0.00 ATOM 70 CB ARG 9 8.905 2.661 -9.765 1.00 0.00 ATOM 71 CG ARG 9 8.542 3.745 -8.760 1.00 0.00 ATOM 72 CD ARG 9 8.697 3.337 -7.340 1.00 0.00 ATOM 73 NE ARG 9 7.514 2.728 -6.755 1.00 0.00 ATOM 74 CZ ARG 9 7.535 1.790 -5.788 1.00 0.00 ATOM 75 NH1 ARG 9 8.671 1.325 -5.320 1.00 0.00 ATOM 76 NH2 ARG 9 6.379 1.332 -5.336 1.00 0.00 ATOM 77 O ARG 9 10.778 2.470 -12.380 1.00 0.00 ATOM 78 C ARG 9 9.616 2.168 -12.116 1.00 0.00 ATOM 79 N LYS 10 9.012 1.061 -12.562 1.00 0.00 ATOM 80 CA LYS 10 9.716 0.131 -13.441 1.00 0.00 ATOM 81 CB LYS 10 8.917 -1.162 -13.600 1.00 0.00 ATOM 82 CG LYS 10 8.943 -2.071 -12.379 1.00 0.00 ATOM 83 CD LYS 10 8.091 -3.313 -12.595 1.00 0.00 ATOM 84 CE LYS 10 8.168 -4.253 -11.401 1.00 0.00 ATOM 85 NZ LYS 10 7.299 -5.448 -11.577 1.00 0.00 ATOM 86 O LYS 10 11.057 0.650 -15.361 1.00 0.00 ATOM 87 C LYS 10 9.987 0.818 -14.774 1.00 0.00 ATOM 88 N ASP 11 9.017 1.592 -15.250 1.00 0.00 ATOM 89 CA ASP 11 9.169 2.301 -16.516 1.00 0.00 ATOM 90 CB ASP 11 7.789 2.685 -17.061 1.00 0.00 ATOM 91 CG ASP 11 7.012 1.477 -17.573 1.00 0.00 ATOM 92 OD1 ASP 11 7.611 0.386 -17.798 1.00 0.00 ATOM 93 OD2 ASP 11 5.782 1.615 -17.751 1.00 0.00 ATOM 94 O ASP 11 10.810 3.821 -17.377 1.00 0.00 ATOM 95 C ASP 11 10.144 3.465 -16.405 1.00 0.00 ATOM 96 N LEU 12 10.228 4.057 -15.217 1.00 0.00 ATOM 97 CA LEU 12 11.130 5.180 -14.995 1.00 0.00 ATOM 98 CB LEU 12 10.959 5.711 -13.527 1.00 0.00 ATOM 99 CG LEU 12 9.628 6.349 -13.250 1.00 0.00 ATOM 100 CD1 LEU 12 9.760 6.823 -11.840 1.00 0.00 ATOM 101 CD2 LEU 12 9.225 7.458 -14.142 1.00 0.00 ATOM 102 O LEU 12 13.021 3.723 -14.703 1.00 0.00 ATOM 103 C LEU 12 12.607 4.804 -15.125 1.00 0.00 ATOM 104 N PRO 13 13.404 5.687 -15.693 1.00 0.00 ATOM 105 CA PRO 13 14.833 5.391 -15.832 1.00 0.00 ATOM 106 CB PRO 13 15.283 6.365 -16.922 1.00 0.00 ATOM 107 CG PRO 13 14.394 7.557 -16.689 1.00 0.00 ATOM 108 CD PRO 13 13.039 6.905 -16.438 1.00 0.00 ATOM 109 O PRO 13 14.990 6.247 -13.604 1.00 0.00 ATOM 110 C PRO 13 15.549 5.598 -14.497 1.00 0.00 ATOM 111 N PRO 14 16.737 5.055 -14.381 1.00 0.00 ATOM 112 CA PRO 14 17.516 5.215 -13.143 1.00 0.00 ATOM 113 CB PRO 14 18.883 4.649 -13.541 1.00 0.00 ATOM 114 CG PRO 14 18.530 3.550 -14.510 1.00 0.00 ATOM 115 CD PRO 14 17.423 4.169 -15.341 1.00 0.00 ATOM 116 O PRO 14 17.582 6.946 -11.485 1.00 0.00 ATOM 117 C PRO 14 17.601 6.663 -12.683 1.00 0.00 ATOM 118 N GLU 15 17.695 7.580 -13.640 1.00 0.00 ATOM 119 CA GLU 15 17.785 9.002 -13.334 1.00 0.00 ATOM 120 CB GLU 15 18.008 9.812 -14.613 1.00 0.00 ATOM 121 CG GLU 15 19.386 9.636 -15.236 1.00 0.00 ATOM 122 CD GLU 15 19.488 10.360 -16.550 1.00 0.00 ATOM 123 OE1 GLU 15 18.503 10.908 -16.983 1.00 0.00 ATOM 124 OE2 GLU 15 20.576 10.462 -17.067 1.00 0.00 ATOM 125 O GLU 15 16.597 10.183 -11.617 1.00 0.00 ATOM 126 C GLU 15 16.524 9.442 -12.597 1.00 0.00 ATOM 127 N ALA 16 15.369 8.982 -13.069 1.00 0.00 ATOM 128 CA ALA 16 14.104 9.335 -12.441 1.00 0.00 ATOM 129 CB ALA 16 12.961 8.853 -13.281 1.00 0.00 ATOM 130 O ALA 16 13.678 9.361 -10.080 1.00 0.00 ATOM 131 C ALA 16 14.072 8.711 -11.050 1.00 0.00 ATOM 132 N LEU 17 14.487 7.453 -10.953 1.00 0.00 ATOM 133 CA LEU 17 14.502 6.758 -9.674 1.00 0.00 ATOM 134 CB LEU 17 14.858 5.278 -9.854 1.00 0.00 ATOM 135 CG LEU 17 13.848 4.458 -10.666 1.00 0.00 ATOM 136 CD1 LEU 17 14.379 3.047 -10.887 1.00 0.00 ATOM 137 CD2 LEU 17 12.514 4.424 -9.934 1.00 0.00 ATOM 138 O LEU 17 15.254 7.459 -7.505 1.00 0.00 ATOM 139 C LEU 17 15.452 7.478 -8.721 1.00 0.00 ATOM 140 N ARG 18 16.481 8.111 -9.275 1.00 0.00 ATOM 141 CA ARG 18 17.425 8.816 -8.471 1.00 0.00 ATOM 142 CB ARG 18 18.575 9.267 -9.358 1.00 0.00 ATOM 143 CG ARG 18 19.555 8.172 -9.742 1.00 0.00 ATOM 144 CD ARG 18 20.661 8.621 -10.627 1.00 0.00 ATOM 145 NE ARG 18 21.647 7.596 -10.928 1.00 0.00 ATOM 146 CZ ARG 18 22.675 7.752 -11.786 1.00 0.00 ATOM 147 NH1 ARG 18 22.835 8.872 -12.455 1.00 0.00 ATOM 148 NH2 ARG 18 23.506 6.738 -11.954 1.00 0.00 ATOM 149 O ARG 18 17.073 10.295 -6.620 1.00 0.00 ATOM 150 C ARG 18 16.698 9.928 -7.734 1.00 0.00 ATOM 151 N ALA 19 15.653 10.466 -8.356 1.00 0.00 ATOM 152 CA ALA 19 14.879 11.538 -7.743 1.00 0.00 ATOM 153 CB ALA 19 13.946 12.129 -8.790 1.00 0.00 ATOM 154 O ALA 19 14.054 11.744 -5.503 1.00 0.00 ATOM 155 C ALA 19 14.129 11.046 -6.510 1.00 0.00 ATOM 156 N LEU 20 13.553 9.873 -6.634 1.00 0.00 ATOM 157 CA LEU 20 12.891 9.291 -5.465 1.00 0.00 ATOM 158 CB LEU 20 12.586 7.703 -5.990 1.00 0.00 ATOM 159 CG LEU 20 13.560 6.654 -5.558 1.00 0.00 ATOM 160 CD1 LEU 20 13.345 6.089 -4.109 1.00 0.00 ATOM 161 CD2 LEU 20 13.568 5.512 -6.563 1.00 0.00 ATOM 162 O LEU 20 13.650 9.305 -3.188 1.00 0.00 ATOM 163 C LEU 20 13.910 9.029 -4.361 1.00 0.00 ATOM 164 N ALA 21 15.069 8.499 -4.737 1.00 0.00 ATOM 165 CA ALA 21 16.115 8.211 -3.767 1.00 0.00 ATOM 166 CB ALA 21 17.287 7.495 -4.423 1.00 0.00 ATOM 167 O ALA 21 16.810 9.597 -1.926 1.00 0.00 ATOM 168 C ALA 21 16.549 9.527 -3.133 1.00 0.00 ATOM 169 N GLU 22 16.620 10.565 -3.949 1.00 0.00 ATOM 170 CA GLU 22 17.007 11.887 -3.471 1.00 0.00 ATOM 171 CB GLU 22 17.327 12.798 -4.690 1.00 0.00 ATOM 172 CG GLU 22 18.524 12.394 -5.522 1.00 0.00 ATOM 173 CD GLU 22 18.754 13.336 -6.705 1.00 0.00 ATOM 174 OE1 GLU 22 18.145 14.430 -6.735 1.00 0.00 ATOM 175 OE2 GLU 22 19.549 12.987 -7.606 1.00 0.00 ATOM 176 O GLU 22 16.294 13.101 -1.530 1.00 0.00 ATOM 177 C GLU 22 15.958 12.455 -2.523 1.00 0.00 ATOM 178 N ALA 23 14.688 12.214 -2.832 1.00 0.00 ATOM 179 CA ALA 23 13.601 12.708 -1.994 1.00 0.00 ATOM 180 CB ALA 23 12.253 12.398 -2.583 1.00 0.00 ATOM 181 O ALA 23 13.451 12.666 0.399 1.00 0.00 ATOM 182 C ALA 23 13.658 12.027 -0.633 1.00 0.00 ATOM 183 N GLU 24 13.941 10.728 -0.631 1.00 0.00 ATOM 184 CA GLU 24 14.024 9.974 0.615 1.00 0.00 ATOM 185 CB GLU 24 14.099 8.465 0.355 1.00 0.00 ATOM 186 CG GLU 24 13.071 8.002 -0.676 1.00 0.00 ATOM 187 CD GLU 24 12.750 6.523 -0.614 1.00 0.00 ATOM 188 OE1 GLU 24 13.684 5.698 -0.505 1.00 0.00 ATOM 189 OE2 GLU 24 11.547 6.187 -0.691 1.00 0.00 ATOM 190 O GLU 24 15.198 10.529 2.635 1.00 0.00 ATOM 191 C GLU 24 15.241 10.443 1.413 1.00 0.00 ATOM 192 N GLU 25 16.259 10.793 0.729 1.00 0.00 ATOM 193 CA GLU 25 17.433 11.287 1.438 1.00 0.00 ATOM 194 CB GLU 25 18.565 11.462 0.422 1.00 0.00 ATOM 195 CG GLU 25 19.855 12.013 1.009 1.00 0.00 ATOM 196 CD GLU 25 20.930 12.123 -0.037 1.00 0.00 ATOM 197 OE1 GLU 25 20.671 11.775 -1.164 1.00 0.00 ATOM 198 OE2 GLU 25 21.970 12.659 0.262 1.00 0.00 ATOM 199 O GLU 25 17.446 12.897 3.215 1.00 0.00 ATOM 200 C GLU 25 17.096 12.625 2.064 1.00 0.00 ATOM 201 N ARG 26 16.386 13.405 1.306 1.00 0.00 ATOM 202 CA ARG 26 16.004 14.698 1.840 1.00 0.00 ATOM 203 CB ARG 26 15.492 15.581 0.675 1.00 0.00 ATOM 204 CG ARG 26 16.574 15.868 -0.385 1.00 0.00 ATOM 205 CD ARG 26 17.782 16.595 0.189 1.00 0.00 ATOM 206 NE ARG 26 17.364 17.913 0.607 1.00 0.00 ATOM 207 CZ ARG 26 17.947 18.672 1.537 1.00 0.00 ATOM 208 NH1 ARG 26 19.054 18.313 2.150 1.00 0.00 ATOM 209 NH2 ARG 26 17.437 19.841 1.795 1.00 0.00 ATOM 210 O ARG 26 15.106 15.275 3.980 1.00 0.00 ATOM 211 C ARG 26 15.064 14.513 3.012 1.00 0.00 ATOM 212 N ARG 27 14.209 13.499 2.930 1.00 0.00 ATOM 213 CA ARG 27 13.258 13.222 4.002 1.00 0.00 ATOM 214 CB ARG 27 12.238 12.147 3.595 1.00 0.00 ATOM 215 CG ARG 27 11.420 12.495 2.373 1.00 0.00 ATOM 216 CD ARG 27 10.074 13.047 2.718 1.00 0.00 ATOM 217 NE ARG 27 9.342 13.428 1.516 1.00 0.00 ATOM 218 CZ ARG 27 8.852 14.642 1.283 1.00 0.00 ATOM 219 NH1 ARG 27 8.995 15.618 2.180 1.00 0.00 ATOM 220 NH2 ARG 27 8.200 14.876 0.148 1.00 0.00 ATOM 221 O ARG 27 13.710 13.378 6.353 1.00 0.00 ATOM 222 C ARG 27 14.019 12.869 5.274 1.00 0.00 ATOM 223 N ARG 28 15.015 11.996 5.149 1.00 0.00 ATOM 224 CA ARG 28 15.809 11.589 6.298 1.00 0.00 ATOM 225 CB ARG 28 16.699 10.392 5.997 1.00 0.00 ATOM 226 CG ARG 28 15.962 9.072 5.836 1.00 0.00 ATOM 227 CD ARG 28 16.828 7.933 5.440 1.00 0.00 ATOM 228 NE ARG 28 16.127 6.665 5.299 1.00 0.00 ATOM 229 CZ ARG 28 16.691 5.524 4.856 1.00 0.00 ATOM 230 NH1 ARG 28 17.951 5.494 4.478 1.00 0.00 ATOM 231 NH2 ARG 28 15.939 4.440 4.790 1.00 0.00 ATOM 232 O ARG 28 16.776 12.957 8.038 1.00 0.00 ATOM 233 C ARG 28 16.599 12.789 6.816 1.00 0.00 ATOM 234 N ARG 29 17.064 13.649 5.903 1.00 0.00 ATOM 235 CA ARG 29 17.765 14.847 6.323 1.00 0.00 ATOM 236 CB ARG 29 18.463 15.513 5.146 1.00 0.00 ATOM 237 CG ARG 29 19.714 14.798 4.658 1.00 0.00 ATOM 238 CD ARG 29 20.353 15.425 3.472 1.00 0.00 ATOM 239 NE ARG 29 21.597 14.798 3.058 1.00 0.00 ATOM 240 CZ ARG 29 22.348 15.204 2.015 1.00 0.00 ATOM 241 NH1 ARG 29 21.969 16.209 1.257 1.00 0.00 ATOM 242 NH2 ARG 29 23.467 14.549 1.759 1.00 0.00 ATOM 243 O ARG 29 17.202 16.485 7.984 1.00 0.00 ATOM 244 C ARG 29 16.819 15.812 7.027 1.00 0.00 ATOM 245 N ALA 30 15.582 15.875 6.548 1.00 0.00 ATOM 246 CA ALA 30 14.552 16.684 7.189 1.00 0.00 ATOM 247 CB ALA 30 13.300 16.730 6.325 1.00 0.00 ATOM 248 O ALA 30 14.050 16.938 9.525 1.00 0.00 ATOM 249 C ALA 30 14.228 16.156 8.585 1.00 0.00 ATOM 250 N LYS 31 14.164 14.835 8.697 1.00 0.00 ATOM 251 CA LYS 31 13.978 14.201 10.006 1.00 0.00 ATOM 252 CB LYS 31 13.960 12.677 9.859 1.00 0.00 ATOM 253 CG LYS 31 13.730 11.923 11.160 1.00 0.00 ATOM 254 CD LYS 31 13.653 10.421 10.925 1.00 0.00 ATOM 255 CE LYS 31 13.464 9.664 12.230 1.00 0.00 ATOM 256 NZ LYS 31 13.394 8.192 12.014 1.00 0.00 ATOM 257 O LYS 31 14.815 15.141 12.048 1.00 0.00 ATOM 258 C LYS 31 15.085 14.684 10.936 1.00 0.00 ATOM 259 N ALA 32 16.330 14.582 10.482 1.00 0.00 ATOM 260 CA ALA 32 17.464 15.015 11.285 1.00 0.00 ATOM 261 CB ALA 32 18.762 14.728 10.545 1.00 0.00 ATOM 262 O ALA 32 17.648 16.874 12.789 1.00 0.00 ATOM 263 C ALA 32 17.344 16.487 11.659 1.00 0.00 ATOM 264 N LEU 33 16.900 17.306 10.712 1.00 0.00 ATOM 265 CA LEU 33 16.744 18.734 10.960 1.00 0.00 ATOM 266 CB LEU 33 16.798 19.463 9.612 1.00 0.00 ATOM 267 CG LEU 33 18.129 19.343 8.859 1.00 0.00 ATOM 268 CD1 LEU 33 18.007 19.976 7.479 1.00 0.00 ATOM 269 CD2 LEU 33 19.232 20.012 9.664 1.00 0.00 ATOM 270 O LEU 33 15.202 20.256 11.994 1.00 0.00 ATOM 271 C LEU 33 15.456 19.089 11.696 1.00 0.00 ATOM 272 N ASP 34 14.639 18.078 11.967 1.00 0.00 ATOM 273 CA ASP 34 13.361 18.286 12.637 1.00 0.00 ATOM 274 CB ASP 34 13.577 18.920 14.013 1.00 0.00 ATOM 275 CG ASP 34 14.390 18.067 14.979 1.00 0.00 ATOM 276 OD1 ASP 34 14.051 16.921 15.155 1.00 0.00 ATOM 277 OD2 ASP 34 15.424 18.515 15.409 1.00 0.00 ATOM 278 O ASP 34 11.705 19.994 12.332 1.00 0.00 ATOM 279 C ASP 34 12.434 19.158 11.800 1.00 0.00 ATOM 280 N LEU 35 12.479 18.967 10.486 1.00 0.00 ATOM 281 CA LEU 35 11.619 19.714 9.574 1.00 0.00 ATOM 282 CB LEU 35 12.400 20.113 8.315 1.00 0.00 ATOM 283 CG LEU 35 13.634 20.989 8.564 1.00 0.00 ATOM 284 CD1 LEU 35 14.383 21.216 7.256 1.00 0.00 ATOM 285 CD2 LEU 35 13.203 22.314 9.175 1.00 0.00 ATOM 286 O LEU 35 10.430 17.675 9.140 1.00 0.00 ATOM 287 C LEU 35 10.385 18.905 9.198 1.00 0.00 ATOM 288 N PRO 36 9.280 19.601 8.953 1.00 0.00 ATOM 289 CA PRO 36 8.035 18.949 8.561 1.00 0.00 ATOM 290 CB PRO 36 6.975 20.044 8.717 1.00 0.00 ATOM 291 CG PRO 36 7.720 21.317 8.497 1.00 0.00 ATOM 292 CD PRO 36 9.089 21.082 9.078 1.00 0.00 ATOM 293 O PRO 36 9.048 18.793 6.392 1.00 0.00 ATOM 294 C PRO 36 8.110 18.462 7.118 1.00 0.00 ATOM 295 N LYS 37 7.119 17.677 6.705 1.00 0.00 ATOM 296 CA LYS 37 7.088 17.157 5.346 1.00 0.00 ATOM 297 CB LYS 37 5.454 16.558 5.340 1.00 0.00 ATOM 298 CG LYS 37 4.683 16.677 6.646 1.00 0.00 ATOM 299 CD LYS 37 3.194 16.770 6.310 1.00 0.00 ATOM 300 CE LYS 37 3.082 17.107 4.831 1.00 0.00 ATOM 301 NZ LYS 37 3.532 15.922 4.040 1.00 0.00 ATOM 302 O LYS 37 7.672 18.254 3.303 1.00 0.00 ATOM 303 C LYS 37 7.025 18.305 4.347 1.00 0.00 ATOM 304 N GLU 38 6.263 19.341 4.673 1.00 0.00 ATOM 305 CA GLU 38 6.133 20.485 3.776 1.00 0.00 ATOM 306 CB GLU 38 5.222 21.548 4.396 1.00 0.00 ATOM 307 CG GLU 38 4.976 22.759 3.510 1.00 0.00 ATOM 308 CD GLU 38 4.132 22.402 2.318 1.00 0.00 ATOM 309 OE1 GLU 38 3.599 21.319 2.295 1.00 0.00 ATOM 310 OE2 GLU 38 3.929 23.252 1.482 1.00 0.00 ATOM 311 O GLU 38 7.938 21.084 2.312 1.00 0.00 ATOM 312 C GLU 38 7.510 21.064 3.467 1.00 0.00 ATOM 313 N ILE 39 8.231 21.512 4.460 1.00 0.00 ATOM 314 CA ILE 39 9.550 22.090 4.228 1.00 0.00 ATOM 315 CB ILE 39 10.113 22.749 5.500 1.00 0.00 ATOM 316 CG1 ILE 39 9.293 23.989 5.865 1.00 0.00 ATOM 317 CG2 ILE 39 11.577 23.112 5.308 1.00 0.00 ATOM 318 CD1 ILE 39 9.638 24.573 7.216 1.00 0.00 ATOM 319 O ILE 39 11.450 21.362 2.956 1.00 0.00 ATOM 320 C ILE 39 10.592 21.067 3.788 1.00 0.00 ATOM 321 N GLY 40 10.516 19.864 4.349 1.00 0.00 ATOM 322 CA GLY 40 11.460 18.808 4.001 1.00 0.00 ATOM 323 O GLY 40 12.241 18.527 1.749 1.00 0.00 ATOM 324 C GLY 40 11.273 18.562 2.509 1.00 0.00 ATOM 325 N GLY 41 9.996 18.515 1.921 1.00 0.00 ATOM 326 CA GLY 41 9.700 18.419 0.510 1.00 0.00 ATOM 327 O GLY 41 10.707 19.500 -1.379 1.00 0.00 ATOM 328 C GLY 41 10.182 19.633 -0.272 1.00 0.00 ATOM 329 N ARG 42 10.005 20.819 0.303 1.00 0.00 ATOM 330 CA ARG 42 10.430 22.049 -0.353 1.00 0.00 ATOM 331 CB ARG 42 9.797 23.258 0.316 1.00 0.00 ATOM 332 CG ARG 42 8.287 23.356 0.165 1.00 0.00 ATOM 333 CD ARG 42 7.669 24.490 0.898 1.00 0.00 ATOM 334 NE ARG 42 6.220 24.556 0.796 1.00 0.00 ATOM 335 CZ ARG 42 5.551 25.106 -0.237 1.00 0.00 ATOM 336 NH1 ARG 42 6.193 25.668 -1.238 1.00 0.00 ATOM 337 NH2 ARG 42 4.230 25.085 -0.208 1.00 0.00 ATOM 338 O ARG 42 12.443 22.904 -1.357 1.00 0.00 ATOM 339 C ARG 42 11.935 22.148 -0.516 1.00 0.00 ATOM 340 N ASN 43 12.676 21.397 0.301 1.00 0.00 ATOM 341 CA ASN 43 14.133 21.392 0.210 1.00 0.00 ATOM 342 CB ASN 43 14.742 21.102 1.569 1.00 0.00 ATOM 343 CG ASN 43 14.567 22.217 2.562 1.00 0.00 ATOM 344 ND2 ASN 43 14.629 21.866 3.821 1.00 0.00 ATOM 345 OD1 ASN 43 14.450 23.392 2.193 1.00 0.00 ATOM 346 O ASN 43 15.851 20.321 -1.075 1.00 0.00 ATOM 347 C ASN 43 14.645 20.421 -0.845 1.00 0.00 ATOM 348 N GLY 44 13.727 19.706 -1.489 1.00 0.00 ATOM 349 CA GLY 44 14.103 18.747 -2.521 1.00 0.00 ATOM 350 O GLY 44 13.485 20.466 -4.083 1.00 0.00 ATOM 351 C GLY 44 13.808 19.287 -3.910 1.00 0.00 ATOM 352 N PRO 45 13.922 18.495 -4.913 1.00 0.00 ATOM 353 CA PRO 45 13.658 18.918 -6.292 1.00 0.00 ATOM 354 CB PRO 45 13.725 17.610 -7.089 1.00 0.00 ATOM 355 CG PRO 45 14.649 16.777 -6.301 1.00 0.00 ATOM 356 CD PRO 45 14.263 17.033 -4.865 1.00 0.00 ATOM 357 O PRO 45 11.402 19.222 -5.539 1.00 0.00 ATOM 358 C PRO 45 12.198 19.337 -6.477 1.00 0.00 ATOM 359 N GLU 46 11.870 19.779 -7.634 1.00 0.00 ATOM 360 CA GLU 46 10.528 20.260 -7.965 1.00 0.00 ATOM 361 CB GLU 46 10.479 20.937 -9.337 1.00 0.00 ATOM 362 CG GLU 46 11.178 22.288 -9.398 1.00 0.00 ATOM 363 CD GLU 46 11.191 22.834 -10.797 1.00 0.00 ATOM 364 OE1 GLU 46 10.737 22.153 -11.684 1.00 0.00 ATOM 365 OE2 GLU 46 11.550 23.977 -10.965 1.00 0.00 ATOM 366 O GLU 46 8.385 19.358 -7.374 1.00 0.00 ATOM 367 C GLU 46 9.472 19.163 -7.916 1.00 0.00 ATOM 368 N PRO 47 9.800 18.008 -8.487 1.00 0.00 ATOM 369 CA PRO 47 8.910 16.854 -8.447 1.00 0.00 ATOM 370 CB PRO 47 9.738 15.726 -9.072 1.00 0.00 ATOM 371 CG PRO 47 10.645 16.420 -10.030 1.00 0.00 ATOM 372 CD PRO 47 11.027 17.711 -9.357 1.00 0.00 ATOM 373 O PRO 47 7.385 16.308 -6.667 1.00 0.00 ATOM 374 C PRO 47 8.554 16.522 -6.993 1.00 0.00 ATOM 375 N VAL 48 9.550 16.492 -6.135 1.00 0.00 ATOM 376 CA VAL 48 9.303 16.203 -4.722 1.00 0.00 ATOM 377 CB VAL 48 10.637 15.938 -3.998 1.00 0.00 ATOM 378 CG1 VAL 48 10.399 15.708 -2.513 1.00 0.00 ATOM 379 CG2 VAL 48 11.348 14.743 -4.613 1.00 0.00 ATOM 380 O VAL 48 7.740 17.003 -3.082 1.00 0.00 ATOM 381 C VAL 48 8.538 17.288 -3.976 1.00 0.00 ATOM 382 N ARG 49 8.917 18.560 -4.392 1.00 0.00 ATOM 383 CA ARG 49 8.183 19.701 -3.855 1.00 0.00 ATOM 384 CB ARG 49 8.759 21.027 -4.331 1.00 0.00 ATOM 385 CG ARG 49 8.105 22.260 -3.730 1.00 0.00 ATOM 386 CD ARG 49 8.776 23.540 -4.074 1.00 0.00 ATOM 387 NE ARG 49 10.200 23.572 -3.780 1.00 0.00 ATOM 388 CZ ARG 49 11.175 23.540 -4.710 1.00 0.00 ATOM 389 NH1 ARG 49 10.888 23.440 -5.988 1.00 0.00 ATOM 390 NH2 ARG 49 12.430 23.589 -4.300 1.00 0.00 ATOM 391 O ARG 49 5.847 19.845 -3.327 1.00 0.00 ATOM 392 C ARG 49 6.698 19.566 -4.174 1.00 0.00 ATOM 393 N PHE 50 6.388 19.139 -5.394 1.00 0.00 ATOM 394 CA PHE 50 5.001 18.971 -5.805 1.00 0.00 ATOM 395 CB PHE 50 4.923 18.825 -7.326 1.00 0.00 ATOM 396 CG PHE 50 5.479 20.002 -8.077 1.00 0.00 ATOM 397 CD1 PHE 50 5.715 21.206 -7.431 1.00 0.00 ATOM 398 CD2 PHE 50 5.765 19.907 -9.430 1.00 0.00 ATOM 399 CE1 PHE 50 6.226 22.290 -8.121 1.00 0.00 ATOM 400 CE2 PHE 50 6.275 20.986 -10.122 1.00 0.00 ATOM 401 CZ PHE 50 6.506 22.180 -9.467 1.00 0.00 ATOM 402 O PHE 50 3.145 17.787 -4.851 1.00 0.00 ATOM 403 C PHE 50 4.336 17.760 -5.166 1.00 0.00 ATOM 404 N GLY 51 5.111 16.698 -4.975 1.00 0.00 ATOM 405 CA GLY 51 4.597 15.473 -4.373 1.00 0.00 ATOM 406 O GLY 51 3.976 13.287 -5.141 1.00 0.00 ATOM 407 C GLY 51 4.095 14.481 -5.413 1.00 0.00 ATOM 408 N ASP 52 3.802 14.984 -6.609 1.00 0.00 ATOM 409 CA ASP 52 3.259 14.153 -7.676 1.00 0.00 ATOM 410 CB ASP 52 1.736 14.287 -7.738 1.00 0.00 ATOM 411 CG ASP 52 1.066 13.384 -8.766 1.00 0.00 ATOM 412 OD1 ASP 52 1.768 12.753 -9.519 1.00 0.00 ATOM 413 OD2 ASP 52 -0.127 13.211 -8.687 1.00 0.00 ATOM 414 O ASP 52 3.869 15.685 -9.419 1.00 0.00 ATOM 415 C ASP 52 3.939 14.534 -8.987 1.00 0.00 ATOM 416 N TRP 53 4.595 13.566 -9.618 1.00 0.00 ATOM 417 CA TRP 53 5.281 13.817 -10.875 1.00 0.00 ATOM 418 CB TRP 53 6.774 14.007 -10.601 1.00 0.00 ATOM 419 CG TRP 53 7.553 14.448 -11.803 1.00 0.00 ATOM 420 CD1 TRP 53 8.230 13.650 -12.674 1.00 0.00 ATOM 421 CD2 TRP 53 7.732 15.792 -12.267 1.00 0.00 ATOM 422 CE2 TRP 53 8.530 15.731 -13.424 1.00 0.00 ATOM 423 CE3 TRP 53 7.294 17.043 -11.814 1.00 0.00 ATOM 424 NE1 TRP 53 8.822 14.411 -13.652 1.00 0.00 ATOM 425 CZ2 TRP 53 8.900 16.863 -14.132 1.00 0.00 ATOM 426 CZ3 TRP 53 7.665 18.178 -12.525 1.00 0.00 ATOM 427 CH2 TRP 53 8.444 18.091 -13.651 1.00 0.00 ATOM 428 O TRP 53 5.250 11.513 -11.544 1.00 0.00 ATOM 429 C TRP 53 5.086 12.687 -11.879 1.00 0.00 ATOM 430 N GLU 54 4.731 13.041 -13.111 1.00 0.00 ATOM 431 CA GLU 54 4.517 12.044 -14.150 1.00 0.00 ATOM 432 CB GLU 54 3.272 12.368 -14.980 1.00 0.00 ATOM 433 CG GLU 54 2.960 11.352 -16.068 1.00 0.00 ATOM 434 CD GLU 54 1.645 11.650 -16.734 1.00 0.00 ATOM 435 OE1 GLU 54 1.037 12.636 -16.390 1.00 0.00 ATOM 436 OE2 GLU 54 1.301 10.957 -17.662 1.00 0.00 ATOM 437 O GLU 54 6.005 13.044 -15.744 1.00 0.00 ATOM 438 C GLU 54 5.723 12.044 -15.082 1.00 0.00 ATOM 439 N LYS 55 6.434 10.921 -15.135 1.00 0.00 ATOM 440 CA LYS 55 7.604 10.810 -15.993 1.00 0.00 ATOM 441 CB LYS 55 8.866 10.463 -15.203 1.00 0.00 ATOM 442 CG LYS 55 10.104 10.243 -16.062 1.00 0.00 ATOM 443 CD LYS 55 10.666 11.561 -16.572 1.00 0.00 ATOM 444 CE LYS 55 12.044 11.375 -17.190 1.00 0.00 ATOM 445 NZ LYS 55 12.581 12.646 -17.747 1.00 0.00 ATOM 446 O LYS 55 7.332 8.553 -16.756 1.00 0.00 ATOM 447 C LYS 55 7.366 9.747 -17.058 1.00 0.00 ATOM 448 N LYS 56 7.200 10.180 -18.303 1.00 0.00 ATOM 449 CA LYS 56 6.964 9.252 -19.402 1.00 0.00 ATOM 450 CB LYS 56 8.169 8.341 -19.641 1.00 0.00 ATOM 451 CG LYS 56 9.455 9.077 -19.995 1.00 0.00 ATOM 452 CD LYS 56 10.563 8.105 -20.370 1.00 0.00 ATOM 453 CE LYS 56 11.866 8.836 -20.662 1.00 0.00 ATOM 454 NZ LYS 56 12.955 7.899 -21.049 1.00 0.00 ATOM 455 O LYS 56 5.653 7.239 -19.458 1.00 0.00 ATOM 456 C LYS 56 5.707 8.425 -19.132 1.00 0.00 ATOM 457 N GLY 57 4.708 9.038 -18.519 1.00 0.00 ATOM 458 CA GLY 57 3.469 8.339 -18.221 1.00 0.00 ATOM 459 O GLY 57 2.470 6.894 -16.589 1.00 0.00 ATOM 460 C GLY 57 3.469 7.526 -16.934 1.00 0.00 ATOM 461 N ILE 58 4.592 7.541 -16.222 1.00 0.00 ATOM 462 CA ILE 58 4.705 6.799 -14.972 1.00 0.00 ATOM 463 CB ILE 58 6.111 6.263 -14.688 1.00 0.00 ATOM 464 CG1 ILE 58 6.504 5.306 -15.819 1.00 0.00 ATOM 465 CG2 ILE 58 6.085 5.543 -13.338 1.00 0.00 ATOM 466 CD1 ILE 58 5.491 4.237 -16.094 1.00 0.00 ATOM 467 O ILE 58 5.302 8.748 -13.708 1.00 0.00 ATOM 468 C ILE 58 4.531 7.795 -13.833 1.00 0.00 ATOM 469 N ALA 59 3.518 7.574 -13.000 1.00 0.00 ATOM 470 CA ALA 59 3.259 8.461 -11.873 1.00 0.00 ATOM 471 CB ALA 59 1.820 8.294 -11.410 1.00 0.00 ATOM 472 O ALA 59 4.476 7.019 -10.420 1.00 0.00 ATOM 473 C ALA 59 4.219 8.161 -10.722 1.00 0.00 ATOM 474 N ILE 60 4.787 9.210 -10.119 1.00 0.00 ATOM 475 CA ILE 60 5.624 9.129 -8.928 1.00 0.00 ATOM 476 CB ILE 60 7.155 9.164 -9.291 1.00 0.00 ATOM 477 CG1 ILE 60 7.586 10.566 -9.701 1.00 0.00 ATOM 478 CG2 ILE 60 7.503 8.086 -10.354 1.00 0.00 ATOM 479 CD1 ILE 60 9.098 10.689 -9.835 1.00 0.00 ATOM 480 O ILE 60 4.704 11.111 -7.951 1.00 0.00 ATOM 481 C ILE 60 4.983 9.923 -7.798 1.00 0.00 ATOM 482 N ASP 61 4.747 9.238 -6.680 1.00 0.00 ATOM 483 CA ASP 61 4.069 9.797 -5.519 1.00 0.00 ATOM 484 CB ASP 61 2.602 9.243 -5.527 1.00 0.00 ATOM 485 CG ASP 61 1.660 9.929 -4.565 1.00 0.00 ATOM 486 OD1 ASP 61 1.925 11.067 -4.116 1.00 0.00 ATOM 487 OD2 ASP 61 0.622 9.312 -4.275 1.00 0.00 ATOM 488 O ASP 61 5.435 8.675 -3.890 1.00 0.00 ATOM 489 C ASP 61 5.014 9.752 -4.320 1.00 0.00 ATOM 490 N PHE 62 5.341 10.936 -3.795 1.00 0.00 ATOM 491 CA PHE 62 6.264 11.054 -2.673 1.00 0.00 ATOM 492 CB PHE 62 7.082 12.342 -2.788 1.00 0.00 ATOM 493 CG PHE 62 8.062 12.338 -3.926 1.00 0.00 ATOM 494 CD1 PHE 62 7.782 13.017 -5.103 1.00 0.00 ATOM 495 CD2 PHE 62 9.264 11.655 -3.825 1.00 0.00 ATOM 496 CE1 PHE 62 8.682 13.014 -6.152 1.00 0.00 ATOM 497 CE2 PHE 62 10.167 11.652 -4.871 1.00 0.00 ATOM 498 CZ PHE 62 9.875 12.332 -6.035 1.00 0.00 ATOM 499 O PHE 62 4.369 11.446 -1.253 1.00 0.00 ATOM 500 C PHE 62 5.522 11.021 -1.344 1.00 0.00 TER END