diff --git a/example/README.md b/example/README.md index 4369dda2..371a6e99 100644 --- a/example/README.md +++ b/example/README.md @@ -4,11 +4,11 @@ Some of the advanced and specialized options available in qFit are demonstrated ### 1. Modelling alternate conformers for a residue of interest -`qfit_residue [COMPOSITE_OMIT_MAP_FILE] -l [LABELS] [PDB_FILE] [CHAIN,RESIDUE]` +`qfit_protein [COMPOSITE_OMIT_MAP_FILE] -l [LABELS] [PDB_FILE] --residue [CHAIN,RESIDUE]` Using the example 3K0N: -`qfit_residue qfit_residue_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_residue_example/3k0n_refine.pdb A,113` +`qfit_protein qfit_protein_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_protein_example/3k0n_refine.pdb --residue A,113` This will produce a parsimonious model containing up to 5 alternate conformers for residue 113 of chain A of 3K0N. @@ -43,7 +43,7 @@ of the [Phenix software suite](https://phenix-online.org/). ### 4. Deactivate backbone sampling and bond angle sampling to model alternate conformers for a single residue of interest (faster, less precise) -In its default mode, *qfit_residue* and *qfit_protein* samples backbone conformations +In its default mode, *qfit_protein* samples backbone conformations using our KGS routine. This can be disabled using the *--no-backbone* flag. For even faster (and less precise) results, one can also disable the sampling of @@ -58,20 +58,13 @@ the cost of precision: Using the example 3K0N: -`qfit_residue qfit_residue_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_residue_example/3k0n_refine.pdb A,113 --no-backbone --no-sample-angle -s 20 -rn 45 --no-threshold-selection` +`qfit_protein qfit_protein_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_protein_example/3k0n_refine.pdb --residue A,113 --no-backbone --no-sample-angle -s 20 -rn 45 --no-threshold-selection` For a full list of options, run: -`qfit_residue -h` +`qfit_protein -h` - -### 5. The same sampling parameters used in qfit_residue can be tweaked in qfit_protein: - -Using the example 3K0N: - -`qfit_protein qfit_protein_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_protein_example/3k0n_refine.pdb --no-backbone --no-sample-angle -s 20 -rn 45 --no-threshold-selection` - -### 6. Parallelization: +### 5. Parallelization: The *qfit_protein* program can be executed in parallel and the number of concurrent processes can be adjusted using the *-p* flag. @@ -81,7 +74,7 @@ Using the example 3K0N, spawning 30 parallel processes: `qfit_protein qfit_protein_example/3k0n_map.mtz -l 2FOFCWT,PH2FOFCWT qfit_protein_example/3k0n_refine.pdb -p 30` -### 7. Modeling alternate conformers of a ligand +### 6. Modeling alternate conformers of a ligand To model alternate conformers of ligands, the command line tool *qfit_ligand* should be used: diff --git a/example/qfit_residue_example/3k0n_map.mtz b/example/qfit_residue_example/3k0n_map.mtz deleted file mode 100644 index fafafaf5..00000000 Binary files a/example/qfit_residue_example/3k0n_map.mtz and /dev/null differ diff --git a/example/qfit_residue_example/3k0n_refine.pdb b/example/qfit_residue_example/3k0n_refine.pdb deleted file mode 100644 index b459b005..00000000 --- a/example/qfit_residue_example/3k0n_refine.pdb +++ /dev/null @@ -1,3297 +0,0 @@ -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : PHENIX (1.19.2_4158: ???) -REMARK 3 AUTHORS : Adams,Afonine,Bunkoczi,Burnley,Chen,Dar,Davis, -REMARK 3 : Draizen,Echols,Gildea,Gros,Grosse-Kunstleve,Headd, -REMARK 3 : Hintze,Hung,Ioerger,Liebschner,McCoy,McKee,Moriarty, -REMARK 3 : Oeffner,Poon,Read,Richardson,Richardson,Sacchettini, -REMARK 3 : Sauter,Sobolev,Storoni,Terwilliger,Williams,Zwart -REMARK 3 -REMARK 3 X-RAY DATA. -REMARK 3 -REMARK 3 REFINEMENT TARGET : ML -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.39 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.33 -REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.36 -REMARK 3 COMPLETENESS FOR RANGE (%) : 98.99 -REMARK 3 NUMBER OF REFLECTIONS : 41076 -REMARK 3 NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 41076 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 R VALUE (WORKING + TEST SET) : 0.1514 -REMARK 3 R VALUE (WORKING SET) : 0.1505 -REMARK 3 FREE R VALUE : 0.1692 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.84 -REMARK 3 FREE R VALUE TEST SET COUNT : 1989 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). -REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE CCWORK CCFREE -REMARK 3 1 33.33 - 3.35 0.99 2999 153 0.1199 0.1367 0.967 0.959 -REMARK 3 2 3.35 - 2.66 1.00 2882 145 0.1517 0.1612 0.948 0.933 -REMARK 3 3 2.66 - 2.32 1.00 2852 146 0.1515 0.1891 0.943 0.933 -REMARK 3 4 2.32 - 2.11 1.00 2831 143 0.1401 0.1537 0.950 0.940 -REMARK 3 5 2.11 - 1.96 1.00 2816 143 0.1504 0.1630 0.942 0.925 -REMARK 3 6 1.96 - 1.84 1.00 2814 144 0.1607 0.2028 0.933 0.883 -REMARK 3 7 1.84 - 1.75 1.00 2795 140 0.1657 0.1965 0.930 0.894 -REMARK 3 8 1.75 - 1.68 1.00 2805 144 0.1835 0.2105 0.912 0.912 -REMARK 3 9 1.68 - 1.61 1.00 2810 143 0.1836 0.2056 0.918 0.909 -REMARK 3 10 1.61 - 1.56 1.00 2752 140 0.1884 0.1935 0.904 0.909 -REMARK 3 11 1.56 - 1.51 1.00 2795 143 0.1984 0.2299 0.891 0.865 -REMARK 3 12 1.51 - 1.46 1.00 2777 141 0.2126 0.2093 0.880 0.882 -REMARK 3 13 1.46 - 1.43 0.98 2742 138 0.2538 0.2145 0.827 0.856 -REMARK 3 14 1.43 - 1.39 0.88 2417 126 0.2928 0.3084 0.783 0.738 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL -REMARK 3 SOLVENT RADIUS : 1.11 -REMARK 3 SHRINKAGE RADIUS : 0.90 -REMARK 3 GRID STEP FACTOR : 4.00 -REMARK 3 -REMARK 3 ERROR ESTIMATES. -REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.14 -REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.88 -REMARK 3 -REMARK 3 STRUCTURE FACTORS CALCULATION ALGORITHM : FFT -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 19.14 -REMARK 3 -REMARK 3 GEOMETRY RESTRAINTS LIBRARY: GEOSTD + MONOMER LIBRARY + CDL V1.2 -REMARK 3 DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND : 0.008 0.060 1564 -REMARK 3 ANGLE : 0.965 4.994 2118 -REMARK 3 CHIRALITY : 0.084 0.246 223 -REMARK 3 PLANARITY : 0.008 0.049 281 -REMARK 3 DIHEDRAL : 12.283 72.237 578 -REMARK 3 MIN NONBONDED DISTANCE : 2.291 -REMARK 3 -REMARK 3 MOLPROBITY STATISTICS. -REMARK 3 ALL-ATOM CLASHSCORE : 6.90 -REMARK 3 RAMACHANDRAN PLOT: -REMARK 3 OUTLIERS : 0.00 % -REMARK 3 ALLOWED : 3.11 % -REMARK 3 FAVORED : 96.89 % -REMARK 3 ROTAMER OUTLIERS : 1.23 % -REMARK 3 CBETA DEVIATIONS : 0.00 % -REMARK 3 PEPTIDE PLANE: -REMARK 3 CIS-PROLINE : 0.00 % -REMARK 3 CIS-GENERAL : 0.00 % -REMARK 3 TWISTED PROLINE : 0.00 % -REMARK 3 TWISTED GENERAL : 0.00 % -REMARK 3 -REMARK 3 RAMA-Z (RAMACHANDRAN PLOT Z-SCORE): -REMARK 3 INTERPRETATION: BAD |RAMA-Z| > 3; SUSPICIOUS 2 < |RAMA-Z| < 3; GOOD |RAMA-Z| < 2. -REMARK 3 SCORES FOR WHOLE/HELIX/SHEET/LOOP ARE SCALED INDEPENDENTLY; -REMARK 3 THEREFORE, THE VALUES ARE NOT RELATED IN A SIMPLE MANNER. -REMARK 3 WHOLE: -0.76 (0.52), RESIDUES: 216 -REMARK 3 HELIX: -0.82 (0.73), RESIDUES: 27 -REMARK 3 SHEET: -0.82 (0.57), RESIDUES: 71 -REMARK 3 LOOP : -0.06 (0.55), RESIDUES: 118 -REMARK 3 -REMARK 3 min max mean iso aniso -REMARK 3 Overall: 10.53 103.31 23.81 5.14 1650 0 -REMARK 3 Protein: 10.53 103.31 22.64 5.14 1518 0 -REMARK 3 Water: 16.45 63.15 37.31 N/A 132 0 -REMARK 3 Chain A: 10.53 103.31 23.81 N/A 1650 0 -REMARK 3 Histogram: -REMARK 3 Values Number of atoms -REMARK 3 10.53 - 19.81 834 -REMARK 3 19.81 - 29.08 527 -REMARK 3 29.08 - 38.36 125 -REMARK 3 38.36 - 47.64 81 -REMARK 3 47.64 - 56.92 34 -REMARK 3 56.92 - 66.19 17 -REMARK 3 66.19 - 75.47 9 -REMARK 3 75.47 - 84.75 8 -REMARK 3 84.75 - 94.03 11 -REMARK 3 94.03 - 103.31 4 -REMARK 3 -REMARK 3 -HELIX 1 1 VAL A 29 GLY A 42 1 14 -HELIX 2 2 THR A 119 ASP A 123 5 5 -HELIX 3 3 GLY A 135 ARG A 144 1 10 -SHEET 1 A 8 PHE A 53 ILE A 57 0 -SHEET 2 A 8 MET A 61 GLY A 64 -1 O MET A 61 N ILE A 57 -SHEET 3 A 8 PHE A 112 CYS A 115 -1 O ILE A 114 N CYS A 62 -SHEET 4 A 8 ILE A 97 MET A 100 -1 N SER A 99 O PHE A 113 -SHEET 5 A 8 VAL A 128 GLU A 134 -1 O PHE A 129 N LEU A 98 -SHEET 6 A 8 GLU A 15 LEU A 24 -1 N SER A 21 O GLU A 134 -SHEET 7 A 8 THR A 5 VAL A 12 -1 N ILE A 10 O GLY A 18 -SHEET 8 A 8 ILE A 156 GLN A 163 -1 O ASP A 160 N ASP A 9 -CRYST1 43.096 52.592 89.249 90.00 90.00 90.00 P 21 21 21 -SCALE1 0.023204 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.019014 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.011205 0.00000 -ATOM 1 N VAL A 2 19.335 -3.282 18.478 1.00 56.59 N -ATOM 2 CA VAL A 2 20.083 -2.032 18.411 1.00 60.60 C -ATOM 3 C VAL A 2 19.125 -0.863 18.133 1.00 45.83 C -ATOM 4 O VAL A 2 19.334 0.236 18.645 1.00 52.10 O -ATOM 5 CB VAL A 2 21.233 -2.089 17.353 1.00 76.41 C -ATOM 6 CG1 VAL A 2 22.274 -0.992 17.608 1.00 78.47 C -ATOM 7 CG2 VAL A 2 21.906 -3.456 17.333 1.00 83.17 C -ATOM 8 HA VAL A 2 20.507 -1.882 19.270 1.00 72.74 H -ATOM 9 HB VAL A 2 20.836 -1.936 16.482 1.00 91.71 H -ATOM 10 HG11 VAL A 2 22.953 -1.035 16.917 1.00 94.19 H -ATOM 11 HG12 VAL A 2 21.834 -0.128 17.587 1.00 94.19 H -ATOM 12 HG13 VAL A 2 22.677 -1.136 18.479 1.00 94.19 H -ATOM 13 HG21 VAL A 2 22.623 -3.445 16.681 1.00 99.83 H -ATOM 14 HG22 VAL A 2 22.263 -3.646 18.215 1.00 99.83 H -ATOM 15 HG23 VAL A 2 21.249 -4.128 17.091 1.00 99.83 H -ATOM 16 N ASN A 3 18.080 -1.098 17.330 1.00 34.55 N -ATOM 17 CA ASN A 3 17.177 -0.009 16.961 1.00 31.95 C -ATOM 18 C ASN A 3 16.367 0.438 18.175 1.00 27.99 C -ATOM 19 O ASN A 3 15.844 -0.400 18.915 1.00 29.32 O -ATOM 20 CB ASN A 3 16.200 -0.444 15.878 1.00 23.75 C -ATOM 21 CG ASN A 3 16.782 -0.356 14.477 1.00 23.58 C -ATOM 22 OD1 ASN A 3 17.749 0.364 14.230 1.00 27.73 O -ATOM 23 ND2 ASN A 3 16.166 -1.069 13.558 1.00 28.80 N -ATOM 24 H ASN A 3 17.878 -1.863 16.994 1.00 41.48 H -ATOM 25 HA ASN A 3 17.711 0.730 16.629 1.00 38.36 H -ATOM 26 HB2 ASN A 3 15.945 -1.366 16.037 1.00 28.53 H -ATOM 27 HB3 ASN A 3 15.417 0.128 15.912 1.00 28.53 H -ATOM 28 HD21 ASN A 3 16.448 -1.060 12.746 1.00 34.59 H -ATOM 29 HD22 ASN A 3 15.481 -1.544 13.770 1.00 34.59 H -ATOM 30 N PRO A 4 16.215 1.745 18.386 1.00 24.72 N -ATOM 31 CA PRO A 4 15.478 2.218 19.559 1.00 23.74 C -ATOM 32 C PRO A 4 13.989 1.953 19.459 1.00 22.43 C -ATOM 33 O PRO A 4 13.414 1.865 18.370 1.00 24.23 O -ATOM 34 CB PRO A 4 15.753 3.724 19.584 1.00 29.61 C -ATOM 35 CG PRO A 4 16.351 4.074 18.278 1.00 32.47 C -ATOM 36 CD PRO A 4 16.581 2.838 17.472 1.00 32.41 C -ATOM 37 HA PRO A 4 15.832 1.796 20.358 1.00 28.51 H -ATOM 38 HB2 PRO A 4 14.919 4.202 19.715 1.00 35.56 H -ATOM 39 HB3 PRO A 4 16.368 3.928 20.306 1.00 35.56 H -ATOM 40 HG2 PRO A 4 15.742 4.664 17.806 1.00 38.99 H -ATOM 41 HG3 PRO A 4 17.196 4.525 18.434 1.00 38.99 H -ATOM 42 HD2 PRO A 4 16.013 2.832 16.685 1.00 38.92 H -ATOM 43 HD3 PRO A 4 17.512 2.769 17.209 1.00 38.92 H -ATOM 44 N ATHR A 5 13.355 1.827 20.619 0.62 20.89 N -ATOM 45 CA ATHR A 5 11.911 1.653 20.737 0.62 20.88 C -ATOM 46 C ATHR A 5 11.387 2.774 21.620 0.62 21.76 C -ATOM 47 O ATHR A 5 11.831 2.935 22.762 0.62 22.78 O -ATOM 48 CB ATHR A 5 11.554 0.303 21.360 0.62 24.85 C -ATOM 49 OG1ATHR A 5 12.002 -0.757 20.509 0.62 29.26 O -ATOM 50 CG2ATHR A 5 10.043 0.180 21.558 0.62 28.46 C -ATOM 51 H ATHR A 5 13.754 1.838 21.380 0.62 25.09 H -ATOM 52 HA ATHR A 5 11.505 1.700 19.857 0.62 25.08 H -ATOM 53 HB ATHR A 5 11.984 0.230 22.226 0.62 29.84 H -ATOM 54 HG1ATHR A 5 11.680 -1.489 20.769 0.62 35.14 H -ATOM 55 HG21ATHR A 5 9.824 -0.699 21.904 0.62 34.18 H -ATOM 56 HG22ATHR A 5 9.735 0.852 22.186 0.62 34.18 H -ATOM 57 HG23ATHR A 5 9.586 0.308 20.712 0.62 34.18 H -ATOM 58 N BTHR A 5 13.381 1.831 20.631 0.38 21.16 N -ATOM 59 CA BTHR A 5 11.944 1.740 20.808 0.38 21.15 C -ATOM 60 C BTHR A 5 11.475 2.993 21.532 0.38 22.62 C -ATOM 61 O BTHR A 5 12.134 3.478 22.462 0.38 19.07 O -ATOM 62 CB BTHR A 5 11.581 0.515 21.648 0.38 24.36 C -ATOM 63 OG1BTHR A 5 12.151 -0.659 21.055 0.38 26.01 O -ATOM 64 CG2BTHR A 5 10.066 0.354 21.737 0.38 27.39 C -ATOM 65 H BTHR A 5 13.805 1.797 21.378 0.38 25.41 H -ATOM 66 HA BTHR A 5 11.499 1.668 19.949 0.38 25.40 H -ATOM 67 HB BTHR A 5 11.929 0.625 22.547 0.38 29.26 H -ATOM 68 HG1BTHR A 5 11.884 -1.344 21.460 0.38 31.24 H -ATOM 69 HG21BTHR A 5 9.846 -0.433 22.260 0.38 32.89 H -ATOM 70 HG22BTHR A 5 9.674 1.133 22.161 0.38 32.89 H -ATOM 71 HG23BTHR A 5 9.689 0.257 20.849 0.38 32.89 H -ATOM 72 N AVAL A 6 10.446 3.554 21.094 0.62 19.27 N -ATOM 73 CA AVAL A 6 9.811 4.605 21.868 0.62 16.25 C -ATOM 74 C AVAL A 6 8.330 4.295 22.002 0.62 18.35 C -ATOM 75 O AVAL A 6 7.743 3.579 21.190 0.62 18.52 O -ATOM 76 CB AVAL A 6 10.029 6.001 21.244 0.62 20.60 C -ATOM 77 CG1AVAL A 6 11.510 6.323 21.142 0.62 23.56 C -ATOM 78 CG2AVAL A 6 9.392 6.068 19.874 0.62 22.96 C -ATOM 79 H AVAL A 6 10.160 3.490 20.285 0.62 23.14 H -ATOM 80 HA AVAL A 6 10.192 4.614 22.760 0.62 19.52 H -ATOM 81 HB AVAL A 6 9.612 6.663 21.818 0.62 24.74 H -ATOM 82 HG11AVAL A 6 11.614 7.223 20.794 0.62 28.30 H -ATOM 83 HG12AVAL A 6 11.908 6.263 22.025 0.62 28.30 H -ATOM 84 HG13AVAL A 6 11.932 5.686 20.545 0.62 28.30 H -ATOM 85 HG21AVAL A 6 9.644 6.903 19.449 0.62 27.57 H -ATOM 86 HG22AVAL A 6 9.705 5.319 19.343 0.62 27.57 H -ATOM 87 HG23AVAL A 6 8.428 6.025 19.971 0.62 27.57 H -ATOM 88 N BVAL A 6 10.339 3.517 21.087 0.38 19.69 N -ATOM 89 CA BVAL A 6 9.690 4.676 21.679 0.38 17.23 C -ATOM 90 C BVAL A 6 8.277 4.265 22.047 0.38 18.29 C -ATOM 91 O BVAL A 6 7.717 3.343 21.449 0.38 18.94 O -ATOM 92 CB BVAL A 6 9.691 5.848 20.668 0.38 19.23 C -ATOM 93 CG1BVAL A 6 8.637 6.893 21.028 0.38 19.92 C -ATOM 94 CG2BVAL A 6 11.078 6.471 20.595 0.38 20.32 C -ATOM 95 H BVAL A 6 9.906 3.202 20.414 0.38 23.65 H -ATOM 96 HA BVAL A 6 10.140 4.963 22.489 0.38 20.70 H -ATOM 97 HB BVAL A 6 9.462 5.504 19.791 0.38 23.10 H -ATOM 98 HG11BVAL A 6 8.752 7.668 20.456 0.38 23.93 H -ATOM 99 HG12BVAL A 6 7.755 6.512 20.895 0.38 23.93 H -ATOM 100 HG13BVAL A 6 8.750 7.149 21.957 0.38 23.93 H -ATOM 101 HG21BVAL A 6 11.055 7.221 19.980 0.38 24.41 H -ATOM 102 HG22BVAL A 6 11.334 6.776 21.480 0.38 24.41 H -ATOM 103 HG23BVAL A 6 11.708 5.804 20.280 0.38 24.41 H -ATOM 104 N APHE A 7 7.716 4.855 23.038 0.62 19.00 N -ATOM 105 CA APHE A 7 6.297 4.657 23.260 0.62 17.75 C -ATOM 106 C APHE A 7 5.570 5.990 23.320 0.62 16.04 C -ATOM 107 O APHE A 7 6.156 7.036 23.628 0.62 16.97 O -ATOM 108 CB APHE A 7 6.009 3.873 24.560 0.62 20.06 C -ATOM 109 CG APHE A 7 6.190 4.687 25.820 0.62 17.35 C -ATOM 110 CD1APHE A 7 7.436 4.789 26.420 0.62 19.59 C -ATOM 111 CD2APHE A 7 5.121 5.371 26.390 0.62 17.81 C -ATOM 112 CE1APHE A 7 7.615 5.552 27.567 0.62 19.89 C -ATOM 113 CE2APHE A 7 5.288 6.143 27.527 0.62 16.36 C -ATOM 114 CZ APHE A 7 6.542 6.235 28.116 0.62 19.21 C -ATOM 115 H APHE A 7 8.104 5.352 23.623 0.62 22.82 H -ATOM 116 HA APHE A 7 5.950 4.147 22.511 0.62 21.33 H -ATOM 117 HB2APHE A 7 5.091 3.562 24.539 0.62 24.09 H -ATOM 118 HB3APHE A 7 6.615 3.117 24.608 0.62 24.09 H -ATOM 119 HD1APHE A 7 8.161 4.339 26.051 0.62 23.53 H -ATOM 120 HD2APHE A 7 4.278 5.308 26.001 0.62 21.39 H -ATOM 121 HE1APHE A 7 8.454 5.605 27.966 0.62 23.89 H -ATOM 122 HE2APHE A 7 4.565 6.598 27.894 0.62 19.66 H -ATOM 123 HZ APHE A 7 6.662 6.755 28.878 0.62 23.08 H -ATOM 124 N BPHE A 7 7.698 4.941 23.038 0.38 18.76 N -ATOM 125 CA BPHE A 7 6.324 4.678 23.440 0.38 18.53 C -ATOM 126 C BPHE A 7 5.532 5.976 23.479 0.38 16.91 C -ATOM 127 O BPHE A 7 6.053 7.019 23.897 0.38 16.66 O -ATOM 128 CB BPHE A 7 6.249 3.973 24.820 0.38 20.05 C -ATOM 129 CG BPHE A 7 6.654 4.842 25.984 0.38 20.96 C -ATOM 130 CD1BPHE A 7 5.715 5.620 26.641 0.38 16.17 C -ATOM 131 CD2BPHE A 7 7.966 4.870 26.432 0.38 20.75 C -ATOM 132 CE1BPHE A 7 6.074 6.425 27.710 0.38 18.61 C -ATOM 133 CE2BPHE A 7 8.329 5.672 27.501 0.38 20.78 C -ATOM 134 CZ BPHE A 7 7.378 6.453 28.138 0.38 17.31 C -ATOM 135 H BPHE A 7 8.086 5.559 23.492 0.38 22.53 H -ATOM 136 HA BPHE A 7 5.914 4.095 22.782 0.38 22.26 H -ATOM 137 HB2BPHE A 7 5.335 3.687 24.973 0.38 24.09 H -ATOM 138 HB3BPHE A 7 6.840 3.205 24.808 0.38 24.09 H -ATOM 139 HD1BPHE A 7 4.829 5.601 26.361 0.38 19.43 H -ATOM 140 HD2BPHE A 7 8.608 4.346 26.010 0.38 24.92 H -ATOM 141 HE1BPHE A 7 5.433 6.946 28.137 0.38 22.36 H -ATOM 142 HE2BPHE A 7 9.212 5.686 27.792 0.38 24.95 H -ATOM 143 HZ BPHE A 7 7.623 6.994 28.853 0.38 20.79 H -ATOM 144 N PHE A 8 4.270 5.907 23.040 1.00 16.72 N -ATOM 145 CA PHE A 8 3.298 6.971 23.270 1.00 15.85 C -ATOM 146 C PHE A 8 2.190 6.382 24.131 1.00 16.53 C -ATOM 147 O PHE A 8 1.648 5.320 23.794 1.00 17.96 O -ATOM 148 CB PHE A 8 2.585 7.434 21.971 1.00 16.27 C -ATOM 149 CG PHE A 8 3.421 8.238 20.984 1.00 15.80 C -ATOM 150 CD1 PHE A 8 4.694 8.684 21.249 1.00 15.74 C -ATOM 151 CD2 PHE A 8 2.849 8.563 19.771 1.00 18.31 C -ATOM 152 CE1 PHE A 8 5.398 9.422 20.266 1.00 16.54 C -ATOM 153 CE2 PHE A 8 3.532 9.307 18.825 1.00 17.57 C -ATOM 154 CZ PHE A 8 4.793 9.718 19.083 1.00 18.03 C -ATOM 155 HA PHE A 8 3.763 7.719 23.676 1.00 19.04 H -ATOM 156 HB2 PHE A 8 2.274 6.644 21.501 1.00 19.54 H -ATOM 157 HB3 PHE A 8 1.831 7.989 22.223 1.00 19.54 H -ATOM 158 HD1 PHE A 8 5.091 8.502 22.070 1.00 18.92 H -ATOM 159 HD2 PHE A 8 1.985 8.275 19.585 1.00 22.00 H -ATOM 160 HE1 PHE A 8 6.270 9.703 20.429 1.00 19.87 H -ATOM 161 HE2 PHE A 8 3.125 9.523 18.017 1.00 21.11 H -ATOM 162 HZ PHE A 8 5.255 10.210 18.443 1.00 21.66 H -ATOM 163 H APHE A 8 3.910 5.205 22.698 0.62 20.08 H -ATOM 164 H BPHE A 8 3.953 5.240 22.600 0.38 20.08 H -ATOM 165 N ASP A 9 1.808 7.090 25.200 1.00 16.57 N -ATOM 166 CA ASP A 9 0.603 6.790 25.964 1.00 16.37 C -ATOM 167 C ASP A 9 -0.480 7.735 25.458 1.00 17.12 C -ATOM 168 O ASP A 9 -0.303 8.959 25.523 1.00 18.91 O -ATOM 169 CB ASP A 9 0.840 6.973 27.462 1.00 17.75 C -ATOM 170 CG ASP A 9 1.617 5.819 28.084 1.00 21.33 C -ATOM 171 OD1 ASP A 9 1.678 4.747 27.473 1.00 22.22 O -ATOM 172 OD2 ASP A 9 2.175 5.992 29.182 1.00 25.63 O -ATOM 173 H ASP A 9 2.245 7.765 25.505 1.00 19.90 H -ATOM 174 HA ASP A 9 0.326 5.870 25.831 1.00 19.67 H -ATOM 175 HB2 ASP A 9 1.348 7.787 27.604 1.00 21.33 H -ATOM 176 HB3 ASP A 9 -0.017 7.034 27.912 1.00 21.33 H -ATOM 177 N ILE A 10 -1.547 7.199 24.932 1.00 16.33 N -ATOM 178 CA ILE A 10 -2.591 7.954 24.243 1.00 16.84 C -ATOM 179 C ILE A 10 -3.748 8.198 25.200 1.00 19.79 C -ATOM 180 O ILE A 10 -4.161 7.296 25.951 1.00 19.02 O -ATOM 181 CB ILE A 10 -3.085 7.201 22.994 1.00 16.73 C -ATOM 182 CG1 ILE A 10 -1.927 6.865 22.053 1.00 20.51 C -ATOM 183 CG2 ILE A 10 -4.156 7.981 22.269 1.00 19.61 C -ATOM 184 CD1 ILE A 10 -1.192 8.042 21.497 1.00 21.64 C -ATOM 185 H ILE A 10 -1.711 6.355 24.956 1.00 19.61 H -ATOM 186 HA ILE A 10 -2.225 8.810 23.973 1.00 20.23 H -ATOM 187 HB ILE A 10 -3.475 6.367 23.298 1.00 20.10 H -ATOM 188 HG12 ILE A 10 -1.284 6.325 22.539 1.00 24.63 H -ATOM 189 HG13 ILE A 10 -2.280 6.363 21.301 1.00 24.63 H -ATOM 190 HG21 ILE A 10 -4.399 7.506 21.459 1.00 23.56 H -ATOM 191 HG22 ILE A 10 -4.930 8.066 22.847 1.00 23.56 H -ATOM 192 HG23 ILE A 10 -3.811 8.859 22.046 1.00 23.56 H -ATOM 193 HD11 ILE A 10 -0.502 7.727 20.893 1.00 25.99 H -ATOM 194 HD12 ILE A 10 -1.818 8.607 21.017 1.00 25.99 H -ATOM 195 HD13 ILE A 10 -0.792 8.538 22.228 1.00 25.99 H -ATOM 196 N ALA A 11 -4.322 9.391 25.135 1.00 17.95 N -ATOM 197 CA ALA A 11 -5.511 9.740 25.900 1.00 17.17 C -ATOM 198 C ALA A 11 -6.574 10.303 24.969 1.00 17.96 C -ATOM 199 O ALA A 11 -6.270 10.893 23.919 1.00 18.86 O -ATOM 200 CB ALA A 11 -5.208 10.767 26.983 1.00 21.60 C -ATOM 201 H ALA A 11 -4.033 10.033 24.642 1.00 21.57 H -ATOM 202 HA ALA A 11 -5.859 8.940 26.323 1.00 20.63 H -ATOM 203 HB1 ALA A 11 -6.025 10.967 27.466 1.00 25.94 H -ATOM 204 HB2 ALA A 11 -4.546 10.400 27.590 1.00 25.94 H -ATOM 205 HB3 ALA A 11 -4.864 11.573 26.567 1.00 25.94 H -ATOM 206 N VAL A 12 -7.828 10.128 25.356 1.00 18.96 N -ATOM 207 CA VAL A 12 -8.977 10.560 24.577 1.00 20.78 C -ATOM 208 C VAL A 12 -9.800 11.445 25.502 1.00 24.40 C -ATOM 209 O VAL A 12 -10.353 10.956 26.494 1.00 24.61 O -ATOM 210 CB VAL A 12 -9.804 9.370 24.078 1.00 24.57 C -ATOM 211 CG1 VAL A 12 -11.020 9.840 23.300 1.00 25.69 C -ATOM 212 CG2 VAL A 12 -8.946 8.456 23.240 1.00 22.17 C -ATOM 213 H VAL A 12 -8.046 9.747 26.096 1.00 22.78 H -ATOM 214 HA VAL A 12 -8.695 11.078 23.806 1.00 24.96 H -ATOM 215 HB VAL A 12 -10.127 8.868 24.842 1.00 29.51 H -ATOM 216 HG11 VAL A 12 -11.503 9.066 22.971 1.00 30.86 H -ATOM 217 HG12 VAL A 12 -11.589 10.361 23.888 1.00 30.86 H -ATOM 218 HG13 VAL A 12 -10.726 10.388 22.555 1.00 30.86 H -ATOM 219 HG21 VAL A 12 -9.493 7.730 22.903 1.00 26.63 H -ATOM 220 HG22 VAL A 12 -8.574 8.961 22.501 1.00 26.63 H -ATOM 221 HG23 VAL A 12 -8.230 8.101 23.792 1.00 26.63 H -ATOM 222 N ASP A 13 -9.852 12.743 25.208 1.00 21.78 N -ATOM 223 CA ASP A 13 -10.466 13.725 26.104 1.00 25.20 C -ATOM 224 C ASP A 13 -9.954 13.548 27.531 1.00 28.74 C -ATOM 225 O ASP A 13 -10.714 13.616 28.503 1.00 30.23 O -ATOM 226 CB ASP A 13 -11.989 13.652 26.048 1.00 27.12 C -ATOM 227 CG ASP A 13 -12.571 14.334 24.824 1.00 33.25 C -ATOM 228 OD1 ASP A 13 -11.859 15.133 24.173 1.00 29.72 O -ATOM 229 OD2 ASP A 13 -13.759 14.087 24.528 1.00 42.51 O -ATOM 230 H ASP A 13 -9.535 13.085 24.486 1.00 26.16 H -ATOM 231 HA ASP A 13 -10.209 14.612 25.809 1.00 30.26 H -ATOM 232 HB2 ASP A 13 -12.260 12.721 26.028 1.00 32.57 H -ATOM 233 HB3 ASP A 13 -12.355 14.087 26.834 1.00 32.57 H -ATOM 234 N AGLY A 14 -8.660 13.275 27.664 0.53 22.98 N -ATOM 235 CA AGLY A 14 -8.055 13.068 28.958 0.53 27.16 C -ATOM 236 C AGLY A 14 -8.253 11.689 29.556 0.53 20.97 C -ATOM 237 O AGLY A 14 -7.658 11.399 30.603 0.53 34.36 O -ATOM 238 H AGLY A 14 -8.110 13.206 27.006 0.53 27.60 H -ATOM 239 HA2AGLY A 14 -7.100 13.219 28.880 0.53 32.62 H -ATOM 240 HA3AGLY A 14 -8.427 13.713 29.580 0.53 32.62 H -ATOM 241 N BGLY A 14 -8.642 13.336 27.656 0.47 23.27 N -ATOM 242 CA BGLY A 14 -7.969 13.290 28.933 0.47 25.56 C -ATOM 243 C BGLY A 14 -7.906 11.925 29.582 0.47 25.19 C -ATOM 244 O BGLY A 14 -7.166 11.756 30.560 0.47 29.69 O -ATOM 245 H BGLY A 14 -8.113 13.214 26.989 0.47 27.95 H -ATOM 246 HA2BGLY A 14 -7.058 13.601 28.813 0.47 30.70 H -ATOM 247 HA3BGLY A 14 -8.428 13.885 29.546 0.47 30.70 H -ATOM 248 N AGLU A 15 -9.070 10.818 28.934 0.53 23.05 N -ATOM 249 CA AGLU A 15 -9.242 9.462 29.452 0.53 19.53 C -ATOM 250 C AGLU A 15 -8.155 8.559 28.878 0.53 23.20 C -ATOM 251 O AGLU A 15 -7.937 8.563 27.659 0.53 22.28 O -ATOM 252 CB AGLU A 15 -10.596 8.905 29.042 0.53 21.30 C -ATOM 253 CG AGLU A 15 -11.790 9.533 29.740 0.53 46.02 C -ATOM 254 CD AGLU A 15 -11.957 9.051 31.171 0.53 61.36 C -ATOM 255 OE1AGLU A 15 -11.680 7.860 31.442 0.53 57.77 O -ATOM 256 OE2AGLU A 15 -12.364 9.867 32.026 0.53 59.03 O -ATOM 257 H AGLU A 15 -9.523 10.991 28.224 0.53 27.68 H -ATOM 258 HA AGLU A 15 -9.182 9.470 30.420 0.53 23.46 H -ATOM 259 HB2AGLU A 15 -10.709 9.046 28.089 0.53 25.58 H -ATOM 260 HB3AGLU A 15 -10.609 7.956 29.241 0.53 25.58 H -ATOM 261 HG2AGLU A 15 -11.673 10.496 29.759 0.53 55.25 H -ATOM 262 HG3AGLU A 15 -12.596 9.307 29.251 0.53 55.25 H -ATOM 263 N BGLU A 15 -8.623 10.949 29.063 0.47 22.01 N -ATOM 264 CA BGLU A 15 -8.701 9.665 29.745 0.47 23.85 C -ATOM 265 C BGLU A 15 -7.830 8.638 29.036 0.47 20.25 C -ATOM 266 O BGLU A 15 -7.876 8.536 27.797 0.47 23.06 O -ATOM 267 CB BGLU A 15 -10.149 9.188 29.778 0.47 24.25 C -ATOM 268 CG BGLU A 15 -11.043 10.033 30.706 0.47 43.64 C -ATOM 269 CD BGLU A 15 -10.580 10.019 32.162 0.47 42.24 C -ATOM 270 OE1BGLU A 15 -10.539 8.927 32.765 0.47 47.34 O -ATOM 271 OE2BGLU A 15 -10.247 11.097 32.699 0.47 43.07 O -ATOM 272 HA BGLU A 15 -8.379 9.753 30.656 0.47 28.64 H -ATOM 273 HB2BGLU A 15 -10.517 9.237 28.882 0.47 29.12 H -ATOM 274 HB3BGLU A 15 -10.171 8.271 30.096 0.47 29.12 H -ATOM 275 HG2BGLU A 15 -11.034 10.954 30.400 0.47 52.40 H -ATOM 276 HG3BGLU A 15 -11.947 9.683 30.678 0.47 52.40 H -ATOM 277 N APRO A 16 -7.474 7.754 29.688 0.53 21.05 N -ATOM 278 CA APRO A 16 -6.426 6.893 29.132 0.53 20.95 C -ATOM 279 C APRO A 16 -7.013 5.935 28.117 0.53 25.26 C -ATOM 280 O APRO A 16 -8.108 5.402 28.301 0.53 25.10 O -ATOM 281 CB APRO A 16 -5.891 6.137 30.354 0.53 23.48 C -ATOM 282 CG APRO A 16 -6.390 6.852 31.528 0.53 23.15 C -ATOM 283 CD APRO A 16 -7.655 7.535 31.133 0.53 20.35 C -ATOM 284 HA APRO A 16 -5.716 7.422 28.736 0.53 25.17 H -ATOM 285 HB2APRO A 16 -6.221 5.225 30.343 0.53 28.19 H -ATOM 286 HB3APRO A 16 -4.921 6.139 30.338 0.53 28.19 H -ATOM 287 HG2APRO A 16 -6.558 6.218 32.242 0.53 27.80 H -ATOM 288 HG3APRO A 16 -5.729 7.503 31.811 0.53 27.80 H -ATOM 289 HD2APRO A 16 -8.423 6.968 31.305 0.53 24.45 H -ATOM 290 HD3APRO A 16 -7.754 8.379 31.602 0.53 24.45 H -ATOM 291 N BPRO A 16 -7.022 7.869 29.766 0.47 18.85 N -ATOM 292 CA BPRO A 16 -6.092 6.944 29.105 0.47 24.02 C -ATOM 293 C BPRO A 16 -6.799 5.899 28.249 0.47 22.94 C -ATOM 294 O BPRO A 16 -7.778 5.278 28.668 0.47 26.18 O -ATOM 295 CB BPRO A 16 -5.339 6.310 30.283 0.47 23.88 C -ATOM 296 CG BPRO A 16 -5.420 7.329 31.365 0.47 28.71 C -ATOM 297 CD BPRO A 16 -6.779 7.942 31.220 0.47 19.32 C -ATOM 298 HA BPRO A 16 -5.480 7.439 28.539 0.47 28.84 H -ATOM 299 HB2BPRO A 16 -5.771 5.484 30.548 0.47 28.68 H -ATOM 300 HB3BPRO A 16 -4.417 6.137 30.034 0.47 28.68 H -ATOM 301 HG2BPRO A 16 -5.323 6.901 32.230 0.47 34.47 H -ATOM 302 HG3BPRO A 16 -4.725 7.995 31.245 0.47 34.47 H -ATOM 303 HD2BPRO A 16 -7.444 7.431 31.709 0.47 23.21 H -ATOM 304 HD3BPRO A 16 -6.779 8.863 31.526 0.47 23.21 H -ATOM 305 N LEU A 17 -6.280 5.712 27.031 1.00 21.39 N -ATOM 306 CA LEU A 17 -6.711 4.727 26.050 1.00 19.52 C -ATOM 307 C LEU A 17 -5.774 3.529 26.044 1.00 23.35 C -ATOM 308 O LEU A 17 -6.204 2.386 26.229 1.00 25.13 O -ATOM 309 CB LEU A 17 -6.771 5.361 24.649 1.00 22.44 C -ATOM 310 CG LEU A 17 -7.203 4.423 23.526 1.00 22.77 C -ATOM 311 CD1 LEU A 17 -8.609 3.927 23.709 1.00 30.61 C -ATOM 312 CD2 LEU A 17 -7.084 5.122 22.187 1.00 25.57 C -ATOM 313 HA LEU A 17 -7.608 4.425 26.261 1.00 23.45 H -ATOM 314 HB2 LEU A 17 -7.404 6.096 24.673 1.00 26.95 H -ATOM 315 HB3 LEU A 17 -5.887 5.693 24.426 1.00 26.95 H -ATOM 316 HG LEU A 17 -6.616 3.651 23.545 1.00 27.34 H -ATOM 317 HD11 LEU A 17 -8.855 3.387 22.942 1.00 36.75 H -ATOM 318 HD12 LEU A 17 -8.652 3.393 24.517 1.00 36.75 H -ATOM 319 HD13 LEU A 17 -9.205 4.688 23.783 1.00 36.75 H -ATOM 320 HD21 LEU A 17 -7.345 4.506 21.485 1.00 30.70 H -ATOM 321 HD22 LEU A 17 -7.669 5.896 22.182 1.00 30.70 H -ATOM 322 HD23 LEU A 17 -6.164 5.402 22.058 1.00 30.70 H -ATOM 323 H ALEU A 17 -5.543 6.113 26.845 0.53 25.69 H -ATOM 324 H BLEU A 17 -5.627 6.184 26.731 0.47 25.69 H -ATOM 325 N GLY A 18 -4.483 3.769 25.885 1.00 18.90 N -ATOM 326 CA GLY A 18 -3.516 2.696 25.875 1.00 18.01 C -ATOM 327 C GLY A 18 -2.188 3.195 25.344 1.00 17.85 C -ATOM 328 O GLY A 18 -2.018 4.388 25.072 1.00 19.76 O -ATOM 329 H GLY A 18 -4.141 4.552 25.779 1.00 22.71 H -ATOM 330 HA2 GLY A 18 -3.388 2.359 26.776 1.00 21.64 H -ATOM 331 HA3 GLY A 18 -3.830 1.973 25.309 1.00 21.64 H -ATOM 332 N AARG A 19 -1.269 2.263 25.149 0.71 16.53 N -ATOM 333 CA AARG A 19 0.109 2.542 24.788 0.71 15.70 C -ATOM 334 C AARG A 19 0.440 1.945 23.434 0.71 17.17 C -ATOM 335 O AARG A 19 0.184 0.762 23.177 0.71 17.54 O -ATOM 336 CB AARG A 19 1.035 1.941 25.835 0.71 16.39 C -ATOM 337 CG AARG A 19 2.480 2.036 25.483 0.71 17.33 C -ATOM 338 CD AARG A 19 3.375 1.627 26.636 0.71 18.90 C -ATOM 339 NE AARG A 19 3.450 2.646 27.669 0.71 19.27 N -ATOM 340 CZ AARG A 19 4.344 2.658 28.646 0.71 21.07 C -ATOM 341 NH1AARG A 19 5.227 1.682 28.784 0.71 23.62 N -ATOM 342 NH2AARG A 19 4.358 3.681 29.494 0.71 20.53 N -ATOM 343 H AARG A 19 -1.428 1.421 25.223 0.71 19.86 H -ATOM 344 HA AARG A 19 0.237 3.501 24.726 0.71 18.87 H -ATOM 345 HB2AARG A 19 0.903 2.409 26.674 0.71 19.69 H -ATOM 346 HB3AARG A 19 0.818 1.001 25.941 0.71 19.69 H -ATOM 347 HG2AARG A 19 2.665 1.450 24.733 0.71 20.82 H -ATOM 348 HG3AARG A 19 2.691 2.953 25.248 0.71 20.82 H -ATOM 349 HD2AARG A 19 3.024 0.816 27.038 0.71 22.70 H -ATOM 350 HD3AARG A 19 4.272 1.470 26.302 0.71 22.70 H -ATOM 351 HE AARG A 19 2.875 3.285 27.644 0.71 23.14 H -ATOM 352 HH11AARG A 19 5.228 1.022 28.233 0.71 28.36 H -ATOM 353 HH12AARG A 19 5.800 1.707 29.426 0.71 28.36 H -ATOM 354 HH21AARG A 19 3.793 4.323 29.403 0.71 24.66 H -ATOM 355 HH22AARG A 19 4.933 3.702 30.133 0.71 24.66 H -ATOM 356 N BARG A 19 -1.262 2.257 25.192 0.29 16.49 N -ATOM 357 CA BARG A 19 0.098 2.529 24.764 0.29 15.37 C -ATOM 358 C BARG A 19 0.373 1.927 23.393 0.29 17.17 C -ATOM 359 O BARG A 19 -0.228 0.915 22.990 0.29 14.07 O -ATOM 360 CB BARG A 19 1.100 1.974 25.780 0.29 16.15 C -ATOM 361 CG BARG A 19 2.556 2.135 25.390 0.29 18.12 C -ATOM 362 CD BARG A 19 3.480 1.734 26.531 0.29 18.83 C -ATOM 363 NE BARG A 19 3.314 2.586 27.702 0.29 19.39 N -ATOM 364 CZ BARG A 19 4.059 2.509 28.795 0.29 21.24 C -ATOM 365 NH1BARG A 19 5.013 1.599 28.918 0.29 23.76 N -ATOM 366 NH2BARG A 19 3.845 3.370 29.787 0.29 23.77 N -ATOM 367 H BARG A 19 -1.406 1.422 25.338 0.29 19.81 H -ATOM 368 HA BARG A 19 0.221 3.489 24.689 0.29 18.47 H -ATOM 369 HB2BARG A 19 0.971 2.435 26.624 0.29 19.41 H -ATOM 370 HB3BARG A 19 0.932 1.025 25.891 0.29 19.41 H -ATOM 371 HG2BARG A 19 2.750 1.570 24.626 0.29 21.77 H -ATOM 372 HG3BARG A 19 2.729 3.064 25.168 0.29 21.77 H -ATOM 373 HD2BARG A 19 3.285 0.821 26.792 0.29 22.61 H -ATOM 374 HD3BARG A 19 4.401 1.805 26.235 0.29 22.61 H -ATOM 375 HE BARG A 19 2.690 3.178 27.682 0.29 23.29 H -ATOM 376 HH11BARG A 19 5.160 1.041 28.280 0.29 28.53 H -ATOM 377 HH12BARG A 19 5.486 1.566 29.636 0.29 28.53 H -ATOM 378 HH21BARG A 19 3.229 3.966 29.713 0.29 28.55 H -ATOM 379 HH22BARG A 19 4.322 3.330 30.501 0.29 28.55 H -ATOM 380 N AVAL A 20 0.986 2.772 22.553 0.71 15.03 N -ATOM 381 CA AVAL A 20 1.552 2.311 21.297 0.71 16.30 C -ATOM 382 C AVAL A 20 3.061 2.397 21.415 0.71 15.92 C -ATOM 383 O AVAL A 20 3.592 3.393 21.918 0.71 18.44 O -ATOM 384 CB AVAL A 20 1.068 3.173 20.120 0.71 18.74 C -ATOM 385 CG1AVAL A 20 1.518 2.541 18.810 0.71 16.25 C -ATOM 386 CG2AVAL A 20 -0.411 3.359 20.161 0.71 19.58 C -ATOM 387 H AVAL A 20 1.041 3.623 22.665 0.71 18.06 H -ATOM 388 HA AVAL A 20 1.289 1.391 21.138 0.71 19.59 H -ATOM 389 HB AVAL A 20 1.461 4.058 20.184 0.71 22.51 H -ATOM 390 HG11AVAL A 20 1.240 3.108 18.073 0.71 19.53 H -ATOM 391 HG12AVAL A 20 2.485 2.457 18.815 0.71 19.53 H -ATOM 392 HG13AVAL A 20 1.110 1.665 18.725 0.71 19.53 H -ATOM 393 HG21AVAL A 20 -0.683 3.899 19.403 0.71 23.52 H -ATOM 394 HG22AVAL A 20 -0.840 2.490 20.120 0.71 23.52 H -ATOM 395 HG23AVAL A 20 -0.651 3.807 20.988 0.71 23.52 H -ATOM 396 N BVAL A 20 1.279 2.595 22.675 0.29 17.35 N -ATOM 397 CA BVAL A 20 1.777 2.156 21.378 0.29 15.39 C -ATOM 398 C BVAL A 20 3.278 2.413 21.353 0.29 17.19 C -ATOM 399 O BVAL A 20 3.736 3.494 21.734 0.29 17.80 O -ATOM 400 CB BVAL A 20 1.065 2.868 20.209 0.29 17.18 C -ATOM 401 CG1BVAL A 20 -0.374 2.431 20.115 0.29 26.75 C -ATOM 402 CG2BVAL A 20 1.134 4.372 20.360 0.29 17.75 C -ATOM 403 H BVAL A 20 1.631 3.336 22.933 0.29 20.85 H -ATOM 404 HA BVAL A 20 1.626 1.204 21.270 0.29 18.50 H -ATOM 405 HB BVAL A 20 1.520 2.622 19.388 0.29 20.64 H -ATOM 406 HG11BVAL A 20 -0.774 2.828 19.326 0.29 32.12 H -ATOM 407 HG12BVAL A 20 -0.407 1.464 20.052 0.29 32.12 H -ATOM 408 HG13BVAL A 20 -0.846 2.727 20.909 0.29 32.12 H -ATOM 409 HG21BVAL A 20 0.702 4.787 19.597 0.29 21.33 H -ATOM 410 HG22BVAL A 20 0.678 4.629 21.177 0.29 21.33 H -ATOM 411 HG23BVAL A 20 2.064 4.643 20.401 0.29 21.33 H -ATOM 412 N ASER A 21 3.761 1.373 20.943 0.71 16.95 N -ATOM 413 CA ASER A 21 5.209 1.445 20.852 0.71 14.89 C -ATOM 414 C ASER A 21 5.664 1.297 19.404 0.71 16.54 C -ATOM 415 O ASER A 21 4.968 0.708 18.574 0.71 16.06 O -ATOM 416 CB ASER A 21 5.899 0.417 21.748 0.71 20.89 C -ATOM 417 OG ASER A 21 5.753 -0.875 21.217 0.71 24.08 O -ATOM 418 H ASER A 21 3.419 0.632 20.671 0.71 20.36 H -ATOM 419 HA ASER A 21 5.492 2.322 21.156 0.71 17.89 H -ATOM 420 HB2ASER A 21 6.843 0.630 21.807 0.71 25.10 H -ATOM 421 HB3ASER A 21 5.497 0.444 22.630 0.71 25.10 H -ATOM 422 HG ASER A 21 6.211 -1.421 21.662 0.71 28.91 H -ATOM 423 N BSER A 21 4.044 1.423 20.914 0.29 15.04 N -ATOM 424 CA BSER A 21 5.494 1.519 20.866 0.29 18.62 C -ATOM 425 C BSER A 21 5.965 1.281 19.440 0.29 16.04 C -ATOM 426 O BSER A 21 5.490 0.367 18.768 0.29 16.81 O -ATOM 427 CB BSER A 21 6.125 0.508 21.824 0.29 19.81 C -ATOM 428 OG BSER A 21 5.630 0.705 23.144 0.29 20.61 O -ATOM 429 H BSER A 21 3.739 0.669 20.634 0.29 18.07 H -ATOM 430 HA BSER A 21 5.788 2.405 21.129 0.29 22.37 H -ATOM 431 HB2BSER A 21 5.902 -0.390 21.532 0.29 23.79 H -ATOM 432 HB3BSER A 21 7.088 0.627 21.825 0.29 23.79 H -ATOM 433 HG BSER A 21 5.852 0.060 23.634 0.29 24.76 H -ATOM 434 N APHE A 22 6.851 1.843 19.122 0.71 15.87 N -ATOM 435 CA APHE A 22 7.392 1.937 17.776 0.71 17.26 C -ATOM 436 C APHE A 22 8.843 1.491 17.776 0.71 16.48 C -ATOM 437 O APHE A 22 9.619 1.879 18.654 0.71 19.61 O -ATOM 438 CB APHE A 22 7.430 3.399 17.289 0.71 17.02 C -ATOM 439 CG APHE A 22 6.115 4.112 17.364 0.71 17.15 C -ATOM 440 CD1APHE A 22 5.190 3.975 16.359 0.71 16.75 C -ATOM 441 CD2APHE A 22 5.808 4.906 18.446 0.71 19.66 C -ATOM 442 CE1APHE A 22 3.971 4.640 16.411 0.71 20.05 C -ATOM 443 CE2APHE A 22 4.594 5.572 18.519 0.71 20.62 C -ATOM 444 CZ APHE A 22 3.683 5.438 17.485 0.71 19.05 C -ATOM 445 H APHE A 22 7.374 2.175 19.718 0.71 19.07 H -ATOM 446 HA APHE A 22 6.847 1.382 17.198 0.71 20.73 H -ATOM 447 HB2APHE A 22 8.062 3.891 17.836 0.71 20.44 H -ATOM 448 HB3APHE A 22 7.717 3.408 16.362 0.71 20.44 H -ATOM 449 HD1APHE A 22 5.382 3.429 15.631 0.71 20.13 H -ATOM 450 HD2APHE A 22 6.423 4.997 19.138 0.71 23.61 H -ATOM 451 HE1APHE A 22 3.355 4.543 15.721 0.71 24.09 H -ATOM 452 HE2APHE A 22 4.394 6.104 19.255 0.71 24.77 H -ATOM 453 HZ APHE A 22 2.873 5.893 17.521 0.71 22.89 H -ATOM 454 N BPHE A 22 6.896 2.107 18.977 0.29 17.76 N -ATOM 455 CA BPHE A 22 7.379 2.039 17.607 0.29 17.47 C -ATOM 456 C BPHE A 22 8.855 1.676 17.607 0.29 17.90 C -ATOM 457 O BPHE A 22 9.648 2.260 18.356 0.29 17.50 O -ATOM 458 CB BPHE A 22 7.216 3.382 16.886 0.29 17.73 C -ATOM 459 CG BPHE A 22 5.919 4.083 17.171 0.29 16.00 C -ATOM 460 CD1BPHE A 22 4.784 3.803 16.433 0.29 18.21 C -ATOM 461 CD2BPHE A 22 5.844 5.033 18.170 0.29 17.99 C -ATOM 462 CE1BPHE A 22 3.592 4.460 16.691 0.29 14.97 C -ATOM 463 CE2BPHE A 22 4.657 5.691 18.437 0.29 20.77 C -ATOM 464 CZ BPHE A 22 3.533 5.404 17.691 0.29 21.72 C -ATOM 465 H BPHE A 22 7.267 2.725 19.446 0.29 21.34 H -ATOM 466 HA BPHE A 22 6.873 1.357 17.137 0.29 20.98 H -ATOM 467 HB2BPHE A 22 7.935 3.971 17.163 0.29 21.30 H -ATOM 468 HB3BPHE A 22 7.263 3.228 15.930 0.29 21.30 H -ATOM 469 HD1BPHE A 22 4.821 3.167 15.755 0.29 21.87 H -ATOM 470 HD2BPHE A 22 6.602 5.234 18.670 0.29 21.62 H -ATOM 471 HE1BPHE A 22 2.834 4.264 16.190 0.29 17.99 H -ATOM 472 HE2BPHE A 22 4.617 6.324 19.117 0.29 24.95 H -ATOM 473 HZ BPHE A 22 2.734 5.848 17.864 0.29 26.08 H -ATOM 474 N GLU A 23 9.221 0.729 16.757 1.00 18.13 N -ATOM 475 CA GLU A 23 10.618 0.517 16.436 1.00 19.23 C -ATOM 476 C GLU A 23 11.034 1.593 15.440 1.00 17.73 C -ATOM 477 O GLU A 23 10.338 1.818 14.451 1.00 18.94 O -ATOM 478 CB GLU A 23 10.802 -0.864 15.816 1.00 21.99 C -ATOM 479 CG GLU A 23 12.241 -1.114 15.394 1.00 25.35 C -ATOM 480 CD GLU A 23 12.472 -2.453 14.709 1.00 31.39 C -ATOM 481 OE1 GLU A 23 11.546 -3.275 14.627 1.00 34.27 O -ATOM 482 OE2 GLU A 23 13.606 -2.652 14.227 1.00 34.50 O -ATOM 483 HA GLU A 23 11.172 0.571 17.231 1.00 23.10 H -ATOM 484 HB2 GLU A 23 10.555 -1.540 16.466 1.00 26.41 H -ATOM 485 HB3 GLU A 23 10.239 -0.937 15.030 1.00 26.41 H -ATOM 486 HG2 GLU A 23 12.507 -0.417 14.773 1.00 30.45 H -ATOM 487 HG3 GLU A 23 12.804 -1.087 16.183 1.00 30.45 H -ATOM 488 H AGLU A 23 8.676 0.320 16.232 0.71 21.78 H -ATOM 489 H BGLU A 23 8.678 0.197 16.354 0.29 21.78 H -ATOM 490 N LEU A 24 12.134 2.264 15.699 1.00 17.96 N -ATOM 491 CA LEU A 24 12.670 3.262 14.785 1.00 17.49 C -ATOM 492 C LEU A 24 13.862 2.678 14.041 1.00 20.57 C -ATOM 493 O LEU A 24 14.774 2.131 14.667 1.00 20.52 O -ATOM 494 CB LEU A 24 13.094 4.494 15.565 1.00 17.44 C -ATOM 495 CG LEU A 24 12.046 5.078 16.497 1.00 18.10 C -ATOM 496 CD1 LEU A 24 12.623 6.294 17.231 1.00 22.61 C -ATOM 497 CD2 LEU A 24 10.763 5.444 15.726 1.00 20.40 C -ATOM 498 H LEU A 24 12.603 2.161 16.412 1.00 21.58 H -ATOM 499 HA LEU A 24 11.999 3.514 14.132 1.00 21.01 H -ATOM 500 HB2 LEU A 24 13.864 4.260 16.107 1.00 20.95 H -ATOM 501 HB3 LEU A 24 13.334 5.187 14.930 1.00 20.95 H -ATOM 502 HG LEU A 24 11.797 4.415 17.159 1.00 21.75 H -ATOM 503 HD11 LEU A 24 11.946 6.655 17.824 1.00 27.16 H -ATOM 504 HD12 LEU A 24 13.397 6.015 17.744 1.00 27.16 H -ATOM 505 HD13 LEU A 24 12.883 6.963 16.579 1.00 27.16 H -ATOM 506 HD21 LEU A 24 10.119 5.820 16.346 1.00 24.50 H -ATOM 507 HD22 LEU A 24 10.981 6.093 15.040 1.00 24.50 H -ATOM 508 HD23 LEU A 24 10.400 4.641 15.319 1.00 24.50 H -ATOM 509 N PHE A 25 13.866 2.817 12.718 1.00 18.65 N -ATOM 510 CA PHE A 25 14.854 2.145 11.872 1.00 19.29 C -ATOM 511 C PHE A 25 16.123 2.991 11.776 1.00 21.44 C -ATOM 512 O PHE A 25 16.499 3.497 10.718 1.00 22.55 O -ATOM 513 CB PHE A 25 14.255 1.866 10.500 1.00 22.40 C -ATOM 514 CG PHE A 25 13.041 1.008 10.531 1.00 20.85 C -ATOM 515 CD1 PHE A 25 12.981 -0.131 11.310 1.00 26.40 C -ATOM 516 CD2 PHE A 25 11.939 1.352 9.770 1.00 24.95 C -ATOM 517 CE1 PHE A 25 11.845 -0.912 11.316 1.00 30.15 C -ATOM 518 CE2 PHE A 25 10.812 0.564 9.774 1.00 25.08 C -ATOM 519 CZ PHE A 25 10.763 -0.556 10.544 1.00 26.52 C -ATOM 520 H PHE A 25 13.304 3.300 12.281 1.00 22.40 H -ATOM 521 HA PHE A 25 15.096 1.301 12.284 1.00 23.17 H -ATOM 522 HB2 PHE A 25 14.008 2.710 10.091 1.00 26.90 H -ATOM 523 HB3 PHE A 25 14.920 1.415 9.957 1.00 26.90 H -ATOM 524 HD1 PHE A 25 13.711 -0.372 11.833 1.00 31.71 H -ATOM 525 HD2 PHE A 25 11.959 2.124 9.251 1.00 29.96 H -ATOM 526 HE1 PHE A 25 11.810 -1.679 11.842 1.00 36.21 H -ATOM 527 HE2 PHE A 25 10.081 0.798 9.249 1.00 30.11 H -ATOM 528 HZ PHE A 25 9.997 -1.082 10.548 1.00 31.84 H -ATOM 529 N ALA A 26 16.796 3.137 12.918 1.00 21.15 N -ATOM 530 CA ALA A 26 18.029 3.906 12.967 1.00 22.39 C -ATOM 531 C ALA A 26 19.132 3.266 12.130 1.00 24.42 C -ATOM 532 O ALA A 26 20.049 3.965 11.698 1.00 26.80 O -ATOM 533 CB ALA A 26 18.481 4.037 14.418 1.00 27.58 C -ATOM 534 H ALA A 26 16.558 2.802 13.673 1.00 25.40 H -ATOM 535 HA ALA A 26 17.871 4.795 12.615 1.00 26.90 H -ATOM 536 HB1 ALA A 26 19.301 4.554 14.448 1.00 33.12 H -ATOM 537 HB2 ALA A 26 17.787 4.487 14.925 1.00 33.12 H -ATOM 538 HB3 ALA A 26 18.635 3.151 14.782 1.00 33.12 H -ATOM 539 N ASP A 27 19.029 1.969 11.856 1.00 24.40 N -ATOM 540 CA ASP A 27 20.023 1.320 11.008 1.00 26.35 C -ATOM 541 C ASP A 27 19.950 1.798 9.562 1.00 35.15 C -ATOM 542 O ASP A 27 20.975 1.825 8.877 1.00 34.02 O -ATOM 543 CB ASP A 27 19.894 -0.203 11.115 1.00 30.81 C -ATOM 544 CG ASP A 27 18.515 -0.727 10.719 1.00 39.65 C -ATOM 545 OD1 ASP A 27 17.518 0.028 10.756 1.00 32.71 O -ATOM 546 OD2 ASP A 27 18.423 -1.924 10.381 1.00 47.04 O -ATOM 547 H ASP A 27 18.405 1.452 12.143 1.00 29.30 H -ATOM 548 HA ASP A 27 20.908 1.554 11.328 1.00 31.65 H -ATOM 549 HB2 ASP A 27 20.547 -0.615 10.527 1.00 37.00 H -ATOM 550 HB3 ASP A 27 20.060 -0.468 12.033 1.00 37.00 H -ATOM 551 N ALYS A 28 18.780 2.261 9.109 0.77 25.35 N -ATOM 552 CA ALYS A 28 18.593 2.673 7.723 0.77 24.28 C -ATOM 553 C ALYS A 28 18.337 4.164 7.532 0.77 22.64 C -ATOM 554 O ALYS A 28 18.722 4.705 6.493 0.77 22.76 O -ATOM 555 CB ALYS A 28 17.482 1.840 7.072 0.77 30.25 C -ATOM 556 CG ALYS A 28 17.928 0.384 6.844 0.77 37.98 C -ATOM 557 CD ALYS A 28 16.777 -0.569 6.613 0.77 53.47 C -ATOM 558 CE ALYS A 28 17.261 -2.016 6.625 0.77 57.41 C -ATOM 559 NZ ALYS A 28 16.135 -2.991 6.651 0.77 84.81 N -ATOM 560 H ALYS A 28 18.074 2.345 9.595 0.77 30.44 H -ATOM 561 HA ALYS A 28 19.407 2.487 7.229 0.77 29.16 H -ATOM 562 HB2ALYS A 28 16.704 1.835 7.651 0.77 36.32 H -ATOM 563 HB3ALYS A 28 17.254 2.228 6.212 0.77 36.32 H -ATOM 564 HG2ALYS A 28 18.502 0.350 6.063 0.77 45.60 H -ATOM 565 HG3ALYS A 28 18.414 0.078 7.626 0.77 45.60 H -ATOM 566 HD2ALYS A 28 16.119 -0.459 7.318 0.77 64.18 H -ATOM 567 HD3ALYS A 28 16.373 -0.387 5.751 0.77 64.18 H -ATOM 568 HE2ALYS A 28 17.785 -2.182 5.826 0.77 68.91 H -ATOM 569 HE3ALYS A 28 17.805 -2.162 7.415 0.77 68.91 H -ATOM 570 HZ1ALYS A 28 16.452 -3.822 6.639 0.77101.80 H -ATOM 571 HZ2ALYS A 28 15.651 -2.877 7.389 0.77101.80 H -ATOM 572 HZ3ALYS A 28 15.612 -2.870 5.941 0.77101.80 H -ATOM 573 N BLYS A 28 18.758 2.108 9.060 0.23 25.45 N -ATOM 574 CA BLYS A 28 18.612 2.554 7.681 0.23 24.62 C -ATOM 575 C BLYS A 28 18.440 4.054 7.560 0.23 22.91 C -ATOM 576 O BLYS A 28 18.863 4.642 6.560 0.23 23.51 O -ATOM 577 CB BLYS A 28 17.407 1.872 7.031 0.23 30.39 C -ATOM 578 CG BLYS A 28 17.723 0.500 6.474 0.23 39.42 C -ATOM 579 CD BLYS A 28 16.520 -0.409 6.550 0.23 52.37 C -ATOM 580 CE BLYS A 28 16.843 -1.788 6.012 0.23 62.43 C -ATOM 581 NZ BLYS A 28 15.711 -2.732 6.209 0.23 86.51 N -ATOM 582 H BLYS A 28 18.019 2.069 9.499 0.23 30.57 H -ATOM 583 HA BLYS A 28 19.406 2.298 7.186 0.23 29.57 H -ATOM 584 HB2BLYS A 28 16.708 1.770 7.696 0.23 36.49 H -ATOM 585 HB3BLYS A 28 17.090 2.425 6.300 0.23 36.49 H -ATOM 586 HG2BLYS A 28 17.986 0.583 5.544 0.23 47.32 H -ATOM 587 HG3BLYS A 28 18.442 0.101 6.988 0.23 47.32 H -ATOM 588 HD2BLYS A 28 16.240 -0.498 7.474 0.23 62.86 H -ATOM 589 HD3BLYS A 28 15.798 -0.035 6.020 0.23 62.86 H -ATOM 590 HE2BLYS A 28 17.028 -1.727 5.062 0.23 74.94 H -ATOM 591 HE3BLYS A 28 17.618 -2.140 6.478 0.23 74.94 H -ATOM 592 HZ1BLYS A 28 15.918 -3.530 5.873 0.23103.83 H -ATOM 593 HZ2BLYS A 28 15.536 -2.821 7.077 0.23103.83 H -ATOM 594 HZ3BLYS A 28 14.984 -2.425 5.797 0.23103.83 H -ATOM 595 N AVAL A 29 17.716 4.842 8.498 0.77 21.49 N -ATOM 596 CA AVAL A 29 17.493 6.289 8.435 0.77 20.55 C -ATOM 597 C AVAL A 29 17.892 6.916 9.767 0.77 23.03 C -ATOM 598 O AVAL A 29 17.047 7.423 10.529 0.77 19.18 O -ATOM 599 CB AVAL A 29 16.049 6.669 8.046 0.77 18.48 C -ATOM 600 CG1AVAL A 29 15.865 6.689 6.559 0.77 20.29 C -ATOM 601 CG2AVAL A 29 15.065 5.742 8.655 0.77 25.56 C -ATOM 602 HA AVAL A 29 18.072 6.640 7.740 0.77 24.69 H -ATOM 603 HB AVAL A 29 15.887 7.562 8.387 0.77 22.20 H -ATOM 604 HG11AVAL A 29 14.940 6.901 6.358 0.77 24.38 H -ATOM 605 HG12AVAL A 29 16.449 7.363 6.178 0.77 24.38 H -ATOM 606 HG13AVAL A 29 16.089 5.816 6.201 0.77 24.38 H -ATOM 607 HG21AVAL A 29 14.169 6.040 8.431 0.77 30.69 H -ATOM 608 HG22AVAL A 29 15.214 4.849 8.306 0.77 30.69 H -ATOM 609 HG23AVAL A 29 15.183 5.744 9.618 0.77 30.69 H -ATOM 610 N BVAL A 29 17.843 4.685 8.561 0.23 21.21 N -ATOM 611 CA BVAL A 29 17.487 6.095 8.464 0.23 19.95 C -ATOM 612 C BVAL A 29 17.903 6.769 9.766 0.23 22.30 C -ATOM 613 O BVAL A 29 17.052 7.172 10.573 0.23 19.99 O -ATOM 614 CB BVAL A 29 16.000 6.245 8.098 0.23 18.62 C -ATOM 615 CG1BVAL A 29 15.100 5.654 9.169 0.23 24.85 C -ATOM 616 CG2BVAL A 29 15.672 7.682 7.825 0.23 25.37 C -ATOM 617 HA BVAL A 29 17.981 6.546 7.761 0.23 23.97 H -ATOM 618 HB BVAL A 29 15.829 5.743 7.286 0.23 22.36 H -ATOM 619 HG11BVAL A 29 14.178 5.873 8.962 0.23 29.85 H -ATOM 620 HG12BVAL A 29 15.216 4.691 9.182 0.23 29.85 H -ATOM 621 HG13BVAL A 29 15.344 6.029 10.029 0.23 29.85 H -ATOM 622 HG21BVAL A 29 14.708 7.785 7.789 0.23 30.47 H -ATOM 623 HG22BVAL A 29 16.037 8.230 8.536 0.23 30.47 H -ATOM 624 HG23BVAL A 29 16.063 7.939 6.975 0.23 30.47 H -ATOM 625 N APRO A 30 19.178 6.924 10.090 0.77 19.69 N -ATOM 626 CA APRO A 30 19.578 7.373 11.429 0.77 19.41 C -ATOM 627 C APRO A 30 19.228 8.812 11.757 0.77 19.96 C -ATOM 628 O APRO A 30 18.884 9.111 12.908 0.77 20.18 O -ATOM 629 CB APRO A 30 21.101 7.131 11.437 0.77 23.42 C -ATOM 630 CG APRO A 30 21.478 6.966 9.983 0.77 23.69 C -ATOM 631 CD APRO A 30 20.291 6.357 9.313 0.77 21.54 C -ATOM 632 HA APRO A 30 19.150 6.804 12.088 0.77 23.31 H -ATOM 633 HB2APRO A 30 21.555 7.894 11.829 0.77 28.13 H -ATOM 634 HB3APRO A 30 21.305 6.328 11.942 0.77 28.13 H -ATOM 635 HG2APRO A 30 21.682 7.832 9.598 0.77 28.45 H -ATOM 636 HG3APRO A 30 22.249 6.381 9.911 0.77 28.45 H -ATOM 637 HD2APRO A 30 20.239 6.624 8.382 0.77 25.87 H -ATOM 638 HD3APRO A 30 20.308 5.390 9.380 0.77 25.87 H -ATOM 639 N BPRO A 30 19.209 6.928 10.001 0.23 19.82 N -ATOM 640 CA BPRO A 30 19.661 7.376 11.330 0.23 19.75 C -ATOM 641 C BPRO A 30 19.199 8.768 11.711 0.23 19.85 C -ATOM 642 O BPRO A 30 18.721 8.977 12.833 0.23 21.27 O -ATOM 643 CB BPRO A 30 21.195 7.290 11.216 0.23 21.16 C -ATOM 644 CG BPRO A 30 21.471 7.416 9.742 0.23 20.98 C -ATOM 645 CD BPRO A 30 20.335 6.693 9.078 0.23 20.96 C -ATOM 646 HA BPRO A 30 19.342 6.749 11.998 0.23 23.73 H -ATOM 647 HB2BPRO A 30 21.606 8.015 11.711 0.23 25.41 H -ATOM 648 HB3BPRO A 30 21.506 6.437 11.557 0.23 25.41 H -ATOM 649 HG2BPRO A 30 21.485 8.351 9.486 0.23 25.19 H -ATOM 650 HG3BPRO A 30 22.320 7.000 9.527 0.23 25.19 H -ATOM 651 HD2BPRO A 30 20.150 7.069 8.203 0.23 25.17 H -ATOM 652 HD3BPRO A 30 20.526 5.745 8.998 0.23 25.17 H -ATOM 653 N LYS A 31 19.352 9.736 10.806 1.00 18.60 N -ATOM 654 CA LYS A 31 19.065 11.120 11.128 1.00 19.27 C -ATOM 655 C LYS A 31 17.574 11.313 11.402 1.00 18.40 C -ATOM 656 O LYS A 31 17.188 12.037 12.331 1.00 18.97 O -ATOM 657 CB LYS A 31 19.528 12.008 9.984 1.00 23.05 C -ATOM 658 CG LYS A 31 19.399 13.457 10.272 1.00 21.11 C -ATOM 659 CD LYS A 31 20.113 14.312 9.229 1.00 25.85 C -ATOM 660 CE LYS A 31 19.894 15.783 9.477 1.00 24.65 C -ATOM 661 NZ LYS A 31 20.742 16.619 8.575 1.00 27.57 N -ATOM 662 HA LYS A 31 19.551 11.381 11.926 1.00 23.14 H -ATOM 663 HB2 LYS A 31 20.463 11.823 9.802 1.00 27.69 H -ATOM 664 HB3 LYS A 31 18.993 11.812 9.199 1.00 27.69 H -ATOM 665 HG2 LYS A 31 18.460 13.701 10.271 1.00 25.35 H -ATOM 666 HG3 LYS A 31 19.790 13.647 11.139 1.00 25.35 H -ATOM 667 HD2 LYS A 31 21.066 14.135 9.267 1.00 31.05 H -ATOM 668 HD3 LYS A 31 19.771 14.097 8.348 1.00 31.05 H -ATOM 669 HE2 LYS A 31 18.964 16.001 9.312 1.00 29.60 H -ATOM 670 HE3 LYS A 31 20.127 15.992 10.395 1.00 29.60 H -ATOM 671 HZ1 LYS A 31 20.625 17.482 8.761 1.00 33.10 H -ATOM 672 HZ2 LYS A 31 21.600 16.414 8.686 1.00 33.10 H -ATOM 673 HZ3 LYS A 31 20.518 16.474 7.726 1.00 33.10 H -ATOM 674 H ALYS A 31 19.594 9.587 9.995 0.77 22.34 H -ATOM 675 H BLYS A 31 19.622 9.611 9.999 0.23 22.34 H -ATOM 676 N THR A 32 16.730 10.672 10.599 1.00 17.66 N -ATOM 677 CA THR A 32 15.292 10.829 10.770 1.00 18.29 C -ATOM 678 C THR A 32 14.817 10.105 12.021 1.00 18.05 C -ATOM 679 O THR A 32 13.992 10.631 12.780 1.00 16.56 O -ATOM 680 CB THR A 32 14.603 10.268 9.531 1.00 17.66 C -ATOM 681 OG1 THR A 32 15.119 10.908 8.365 1.00 16.70 O -ATOM 682 CG2 THR A 32 13.104 10.513 9.564 1.00 16.32 C -ATOM 683 H THR A 32 16.961 10.148 9.957 1.00 21.21 H -ATOM 684 HA THR A 32 15.062 11.767 10.865 1.00 21.98 H -ATOM 685 HB THR A 32 14.763 9.312 9.502 1.00 21.21 H -ATOM 686 HG1 THR A 32 15.913 10.667 8.232 1.00 20.06 H -ATOM 687 HG21 THR A 32 12.688 10.134 8.774 1.00 19.61 H -ATOM 688 HG22 THR A 32 12.718 10.100 10.352 1.00 19.61 H -ATOM 689 HG23 THR A 32 12.924 11.466 9.587 1.00 19.61 H -ATOM 690 N ALA A 33 15.363 8.912 12.277 1.00 15.90 N -ATOM 691 CA ALA A 33 15.039 8.192 13.504 1.00 15.86 C -ATOM 692 C ALA A 33 15.436 8.980 14.741 1.00 18.10 C -ATOM 693 O ALA A 33 14.679 9.028 15.720 1.00 17.83 O -ATOM 694 CB ALA A 33 15.732 6.828 13.501 1.00 21.36 C -ATOM 695 H ALA A 33 15.917 8.504 11.761 1.00 19.10 H -ATOM 696 HA ALA A 33 14.079 8.054 13.536 1.00 19.05 H -ATOM 697 HB1 ALA A 33 15.497 6.353 14.314 1.00 25.66 H -ATOM 698 HB2 ALA A 33 15.435 6.325 12.726 1.00 25.66 H -ATOM 699 HB3 ALA A 33 16.692 6.962 13.461 1.00 25.66 H -ATOM 700 N GLU A 34 16.606 9.618 14.723 1.00 17.97 N -ATOM 701 CA GLU A 34 17.061 10.334 15.907 1.00 17.97 C -ATOM 702 C GLU A 34 16.173 11.538 16.212 1.00 19.12 C -ATOM 703 O GLU A 34 15.927 11.855 17.373 1.00 19.86 O -ATOM 704 CB GLU A 34 18.519 10.770 15.706 1.00 21.88 C -ATOM 705 CG GLU A 34 19.095 11.615 16.840 1.00 25.59 C -ATOM 706 CD GLU A 34 19.178 10.903 18.188 1.00 21.99 C -ATOM 707 OE1 GLU A 34 18.968 9.682 18.274 1.00 23.87 O -ATOM 708 OE2 GLU A 34 19.454 11.608 19.178 1.00 31.58 O -ATOM 709 H GLU A 34 17.142 9.649 14.052 1.00 21.59 H -ATOM 710 HA GLU A 34 17.019 9.741 16.673 1.00 21.59 H -ATOM 711 HB2 GLU A 34 19.070 9.975 15.625 1.00 26.28 H -ATOM 712 HB3 GLU A 34 18.574 11.296 14.892 1.00 26.28 H -ATOM 713 HG2 GLU A 34 19.995 11.885 16.597 1.00 30.73 H -ATOM 714 HG3 GLU A 34 18.534 12.398 16.957 1.00 30.73 H -ATOM 715 N ASN A 35 15.691 12.234 15.173 1.00 17.09 N -ATOM 716 CA ASN A 35 14.774 13.350 15.384 1.00 16.26 C -ATOM 717 C ASN A 35 13.529 12.889 16.153 1.00 16.98 C -ATOM 718 O ASN A 35 13.144 13.487 17.166 1.00 18.15 O -ATOM 719 CB ASN A 35 14.387 13.926 14.017 1.00 17.18 C -ATOM 720 CG ASN A 35 13.444 15.101 14.111 1.00 15.66 C -ATOM 721 OD1 ASN A 35 13.742 16.121 14.717 1.00 19.59 O -ATOM 722 ND2 ASN A 35 12.282 14.968 13.482 1.00 17.68 N -ATOM 723 H ASN A 35 15.879 12.079 14.349 1.00 20.53 H -ATOM 724 HA ASN A 35 15.205 14.044 15.907 1.00 19.53 H -ATOM 725 HB2 ASN A 35 15.190 14.225 13.563 1.00 20.64 H -ATOM 726 HB3 ASN A 35 13.949 13.234 13.497 1.00 20.64 H -ATOM 727 HD21 ASN A 35 11.707 15.606 13.502 1.00 21.24 H -ATOM 728 HD22 ASN A 35 12.106 14.243 13.053 1.00 21.24 H -ATOM 729 N PHE A 36 12.902 11.805 15.698 1.00 16.06 N -ATOM 730 CA PHE A 36 11.709 11.305 16.371 1.00 15.58 C -ATOM 731 C PHE A 36 12.037 10.812 17.775 1.00 16.51 C -ATOM 732 O PHE A 36 11.254 11.034 18.705 1.00 17.21 O -ATOM 733 CB PHE A 36 11.082 10.216 15.499 1.00 16.67 C -ATOM 734 CG PHE A 36 9.707 9.788 15.919 1.00 14.17 C -ATOM 735 CD1 PHE A 36 8.576 10.380 15.357 1.00 17.61 C -ATOM 736 CD2 PHE A 36 9.530 8.764 16.825 1.00 17.79 C -ATOM 737 CE1 PHE A 36 7.315 9.960 15.728 1.00 16.43 C -ATOM 738 CE2 PHE A 36 8.270 8.356 17.196 1.00 19.73 C -ATOM 739 CZ PHE A 36 7.160 8.947 16.626 1.00 19.14 C -ATOM 740 H PHE A 36 13.144 11.348 15.011 1.00 19.29 H -ATOM 741 HA PHE A 36 11.053 12.011 16.478 1.00 18.72 H -ATOM 742 HB2 PHE A 36 11.019 10.548 14.590 1.00 20.03 H -ATOM 743 HB3 PHE A 36 11.653 9.432 15.528 1.00 20.03 H -ATOM 744 HD1 PHE A 36 8.672 11.060 14.729 1.00 21.15 H -ATOM 745 HD2 PHE A 36 10.274 8.342 17.190 1.00 21.37 H -ATOM 746 HE1 PHE A 36 6.565 10.372 15.363 1.00 19.74 H -ATOM 747 HE2 PHE A 36 8.165 7.684 17.830 1.00 23.69 H -ATOM 748 HZ PHE A 36 6.308 8.654 16.855 1.00 22.99 H -ATOM 749 N ARG A 37 13.155 10.100 17.939 1.00 16.64 N -ATOM 750 CA ARG A 37 13.520 9.605 19.263 1.00 17.38 C -ATOM 751 C ARG A 37 13.682 10.754 20.245 1.00 19.30 C -ATOM 752 O ARG A 37 13.126 10.729 21.356 1.00 18.87 O -ATOM 753 CB ARG A 37 14.817 8.798 19.165 1.00 18.78 C -ATOM 754 CG ARG A 37 15.159 8.080 20.471 1.00 20.12 C -ATOM 755 CD ARG A 37 16.622 7.707 20.559 1.00 21.33 C -ATOM 756 NE ARG A 37 17.453 8.895 20.597 1.00 21.88 N -ATOM 757 CZ ARG A 37 17.592 9.679 21.656 1.00 24.39 C -ATOM 758 NH1 ARG A 37 17.028 9.377 22.820 1.00 26.97 N -ATOM 759 NH2 ARG A 37 18.282 10.808 21.539 1.00 24.83 N -ATOM 760 H ARG A 37 13.706 9.895 17.312 1.00 19.99 H -ATOM 761 HA ARG A 37 12.818 9.022 19.591 1.00 20.88 H -ATOM 762 HB2 ARG A 37 14.723 8.129 18.469 1.00 22.56 H -ATOM 763 HB3 ARG A 37 15.549 9.399 18.951 1.00 22.56 H -ATOM 764 HG2 ARG A 37 14.952 8.663 21.218 1.00 24.17 H -ATOM 765 HG3 ARG A 37 14.637 7.265 20.531 1.00 24.17 H -ATOM 766 HD2 ARG A 37 16.778 7.195 21.369 1.00 25.62 H -ATOM 767 HD3 ARG A 37 16.870 7.181 19.783 1.00 25.62 H -ATOM 768 HE ARG A 37 17.886 9.104 19.884 1.00 26.28 H -ATOM 769 HH11 ARG A 37 16.561 8.659 22.897 1.00 32.39 H -ATOM 770 HH12 ARG A 37 17.129 9.899 23.495 1.00 32.39 H -ATOM 771 HH21 ARG A 37 18.632 11.021 20.784 1.00 29.82 H -ATOM 772 HH22 ARG A 37 18.378 11.325 22.220 1.00 29.82 H -ATOM 773 N ALA A 38 14.436 11.782 19.850 1.00 17.86 N -ATOM 774 CA ALA A 38 14.699 12.892 20.754 1.00 18.32 C -ATOM 775 C ALA A 38 13.445 13.692 21.049 1.00 18.47 C -ATOM 776 O ALA A 38 13.276 14.186 22.168 1.00 20.37 O -ATOM 777 CB ALA A 38 15.804 13.782 20.198 1.00 22.00 C -ATOM 778 H ALA A 38 14.800 11.856 19.074 1.00 21.45 H -ATOM 779 HA ALA A 38 15.013 12.529 21.597 1.00 22.00 H -ATOM 780 HB1 ALA A 38 15.944 14.527 20.802 1.00 26.42 H -ATOM 781 HB2 ALA A 38 16.620 13.262 20.120 1.00 26.42 H -ATOM 782 HB3 ALA A 38 15.537 14.109 19.325 1.00 26.42 H -ATOM 783 N LEU A 39 12.560 13.858 20.057 1.00 18.34 N -ATOM 784 CA LEU A 39 11.297 14.547 20.315 1.00 16.86 C -ATOM 785 C LEU A 39 10.409 13.741 21.243 1.00 15.66 C -ATOM 786 O LEU A 39 9.608 14.316 21.995 1.00 18.24 O -ATOM 787 CB LEU A 39 10.574 14.837 18.998 1.00 18.17 C -ATOM 788 CG LEU A 39 11.283 15.845 18.095 1.00 18.06 C -ATOM 789 CD1 LEU A 39 10.562 15.924 16.743 1.00 19.17 C -ATOM 790 CD2 LEU A 39 11.351 17.229 18.718 1.00 20.30 C -ATOM 791 H LEU A 39 12.666 13.586 19.248 1.00 22.03 H -ATOM 792 HA LEU A 39 11.484 15.398 20.740 1.00 20.26 H -ATOM 793 HB2 LEU A 39 10.490 14.007 18.503 1.00 21.83 H -ATOM 794 HB3 LEU A 39 9.694 15.193 19.202 1.00 21.83 H -ATOM 795 HG LEU A 39 12.196 15.543 17.966 1.00 21.70 H -ATOM 796 HD11 LEU A 39 11.068 16.500 16.148 1.00 23.03 H -ATOM 797 HD12 LEU A 39 10.499 15.033 16.366 1.00 23.03 H -ATOM 798 HD13 LEU A 39 9.674 16.289 16.880 1.00 23.03 H -ATOM 799 HD21 LEU A 39 11.798 17.831 18.102 1.00 24.39 H -ATOM 800 HD22 LEU A 39 10.449 17.543 18.890 1.00 24.39 H -ATOM 801 HD23 LEU A 39 11.847 17.177 19.549 1.00 24.39 H -ATOM 802 N SER A 40 10.556 12.419 21.233 1.00 16.99 N -ATOM 803 CA SER A 40 9.780 11.577 22.136 1.00 17.34 C -ATOM 804 C SER A 40 10.290 11.614 23.568 1.00 20.32 C -ATOM 805 O SER A 40 9.488 11.473 24.488 1.00 21.95 O -ATOM 806 CB SER A 40 9.770 10.126 21.652 1.00 17.96 C -ATOM 807 OG SER A 40 9.131 10.040 20.381 1.00 19.75 O -ATOM 808 H SER A 40 11.094 11.988 20.719 1.00 20.41 H -ATOM 809 HA SER A 40 8.870 11.913 22.128 1.00 20.83 H -ATOM 810 HB2 SER A 40 10.684 9.810 21.571 1.00 21.57 H -ATOM 811 HB3 SER A 40 9.285 9.579 22.290 1.00 21.57 H -ATOM 812 HG SER A 40 8.922 10.808 20.112 1.00 23.73 H -ATOM 813 N THR A 41 11.592 11.783 23.782 1.00 20.57 N -ATOM 814 CA THR A 41 12.097 11.866 25.147 1.00 19.95 C -ATOM 815 C THR A 41 12.051 13.283 25.670 1.00 25.55 C -ATOM 816 O THR A 41 12.069 13.481 26.887 1.00 28.73 O -ATOM 817 CB THR A 41 13.548 11.399 25.227 1.00 24.02 C -ATOM 818 OG1 THR A 41 14.361 12.302 24.486 1.00 23.42 O -ATOM 819 CG2 THR A 41 13.713 10.007 24.678 1.00 24.73 C -ATOM 820 H THR A 41 12.190 11.850 23.167 1.00 24.71 H -ATOM 821 HA THR A 41 11.561 11.282 25.707 1.00 23.96 H -ATOM 822 HB THR A 41 13.829 11.377 26.155 1.00 28.85 H -ATOM 823 HG1 THR A 41 15.126 11.974 24.373 1.00 28.13 H -ATOM 824 HG21 THR A 41 14.641 9.732 24.745 1.00 29.70 H -ATOM 825 HG22 THR A 41 13.163 9.385 25.180 1.00 29.70 H -ATOM 826 HG23 THR A 41 13.445 9.983 23.746 1.00 29.70 H -ATOM 827 N GLY A 42 12.025 14.263 24.777 1.00 21.91 N -ATOM 828 CA GLY A 42 12.046 15.658 25.149 1.00 23.18 C -ATOM 829 C GLY A 42 13.400 16.160 25.575 1.00 24.82 C -ATOM 830 O GLY A 42 13.485 17.262 26.120 1.00 28.53 O -ATOM 831 H GLY A 42 11.994 14.138 23.927 1.00 26.32 H -ATOM 832 HA2 GLY A 42 11.756 16.189 24.390 1.00 27.84 H -ATOM 833 HA3 GLY A 42 11.430 15.796 25.885 1.00 27.84 H -ATOM 834 N GLU A 43 14.467 15.414 25.288 1.00 23.82 N -ATOM 835 CA GLU A 43 15.766 15.711 25.893 1.00 27.76 C -ATOM 836 C GLU A 43 16.378 17.011 25.389 1.00 34.93 C -ATOM 837 O GLU A 43 17.276 17.543 26.052 1.00 34.47 O -ATOM 838 CB GLU A 43 16.711 14.533 25.683 1.00 28.41 C -ATOM 839 CG GLU A 43 17.075 14.274 24.238 1.00 33.66 C -ATOM 840 CD GLU A 43 17.699 12.922 24.053 1.00 34.45 C -ATOM 841 OE1 GLU A 43 17.059 11.910 24.404 1.00 28.93 O -ATOM 842 OE2 GLU A 43 18.844 12.862 23.560 1.00 34.55 O -ATOM 843 H GLU A 43 14.467 14.741 24.753 1.00 28.61 H -ATOM 844 HA GLU A 43 15.648 15.824 26.850 1.00 33.34 H -ATOM 845 HB2 GLU A 43 17.534 14.707 26.166 1.00 34.12 H -ATOM 846 HB3 GLU A 43 16.287 13.731 26.027 1.00 34.12 H -ATOM 847 HG2 GLU A 43 16.272 14.316 23.694 1.00 40.42 H -ATOM 848 HG3 GLU A 43 17.710 14.946 23.943 1.00 40.42 H -ATOM 849 N LYS A 44 15.926 17.542 24.254 1.00 30.32 N -ATOM 850 CA LYS A 44 16.402 18.825 23.750 1.00 29.96 C -ATOM 851 C LYS A 44 15.607 20.003 24.287 1.00 29.58 C -ATOM 852 O LYS A 44 15.894 21.145 23.913 1.00 36.57 O -ATOM 853 CB LYS A 44 16.334 18.872 22.221 1.00 33.54 C -ATOM 854 CG LYS A 44 17.080 17.765 21.517 1.00 37.17 C -ATOM 855 CD LYS A 44 18.578 17.936 21.618 1.00 51.58 C -ATOM 856 CE LYS A 44 19.309 16.733 21.047 1.00 62.66 C -ATOM 857 NZ LYS A 44 20.753 16.737 21.425 1.00 71.25 N -ATOM 858 H LYS A 44 15.334 17.171 23.752 1.00 36.41 H -ATOM 859 HA LYS A 44 17.330 18.916 24.020 1.00 35.98 H -ATOM 860 HB2 LYS A 44 15.404 18.812 21.953 1.00 40.27 H -ATOM 861 HB3 LYS A 44 16.712 19.714 21.923 1.00 40.27 H -ATOM 862 HG2 LYS A 44 16.845 16.915 21.920 1.00 44.62 H -ATOM 863 HG3 LYS A 44 16.838 17.765 20.578 1.00 44.62 H -ATOM 864 HD2 LYS A 44 18.847 18.722 21.119 1.00 61.92 H -ATOM 865 HD3 LYS A 44 18.829 18.032 22.550 1.00 61.92 H -ATOM 866 HE2 LYS A 44 18.907 15.920 21.390 1.00 75.22 H -ATOM 867 HE3 LYS A 44 19.248 16.750 20.079 1.00 75.22 H -ATOM 868 HZ1 LYS A 44 21.161 16.027 21.077 1.00 85.52 H -ATOM 869 HZ2 LYS A 44 21.145 17.475 21.120 1.00 85.52 H -ATOM 870 HZ3 LYS A 44 20.835 16.711 22.311 1.00 85.52 H -ATOM 871 N GLY A 45 14.600 19.760 25.121 1.00 27.12 N -ATOM 872 CA GLY A 45 13.806 20.825 25.686 1.00 32.47 C -ATOM 873 C GLY A 45 12.456 21.034 25.047 1.00 40.87 C -ATOM 874 O GLY A 45 11.707 21.913 25.493 1.00 31.90 O -ATOM 875 H GLY A 45 14.360 18.973 25.373 1.00 32.57 H -ATOM 876 HA2 GLY A 45 13.660 20.636 26.626 1.00 38.99 H -ATOM 877 HA3 GLY A 45 14.301 21.655 25.604 1.00 38.99 H -ATOM 878 N PHE A 46 12.121 20.260 24.019 1.00 27.28 N -ATOM 879 CA PHE A 46 10.818 20.348 23.382 1.00 24.58 C -ATOM 880 C PHE A 46 10.527 18.989 22.761 1.00 20.65 C -ATOM 881 O PHE A 46 11.413 18.143 22.638 1.00 23.11 O -ATOM 882 CB PHE A 46 10.772 21.439 22.311 1.00 25.47 C -ATOM 883 CG PHE A 46 11.891 21.364 21.304 1.00 25.73 C -ATOM 884 CD1 PHE A 46 11.750 20.648 20.122 1.00 23.32 C -ATOM 885 CD2 PHE A 46 13.084 22.026 21.535 1.00 30.92 C -ATOM 886 CE1 PHE A 46 12.781 20.585 19.200 1.00 31.62 C -ATOM 887 CE2 PHE A 46 14.118 21.970 20.619 1.00 31.71 C -ATOM 888 CZ PHE A 46 13.973 21.247 19.446 1.00 34.84 C -ATOM 889 H PHE A 46 12.640 19.669 23.670 1.00 32.76 H -ATOM 890 HA PHE A 46 10.145 20.560 24.048 1.00 29.52 H -ATOM 891 HB2 PHE A 46 9.935 21.364 21.826 1.00 30.58 H -ATOM 892 HB3 PHE A 46 10.826 22.304 22.747 1.00 30.58 H -ATOM 893 HD1 PHE A 46 10.951 20.205 19.948 1.00 28.01 H -ATOM 894 HD2 PHE A 46 13.192 22.516 22.318 1.00 37.12 H -ATOM 895 HE1 PHE A 46 12.673 20.097 18.415 1.00 37.97 H -ATOM 896 HE2 PHE A 46 14.914 22.419 20.790 1.00 38.08 H -ATOM 897 HZ PHE A 46 14.668 21.207 18.830 1.00 41.83 H -ATOM 898 N GLY A 47 9.273 18.778 22.389 1.00 20.92 N -ATOM 899 CA GLY A 47 8.927 17.501 21.789 1.00 20.48 C -ATOM 900 C GLY A 47 7.441 17.194 21.907 1.00 18.59 C -ATOM 901 O GLY A 47 6.604 18.082 22.043 1.00 18.88 O -ATOM 902 H GLY A 47 8.627 19.340 22.470 1.00 25.12 H -ATOM 903 HA2 GLY A 47 9.163 17.513 20.848 1.00 24.60 H -ATOM 904 HA3 GLY A 47 9.422 16.793 22.230 1.00 24.60 H -ATOM 905 N TYR A 48 7.138 15.907 21.817 1.00 16.76 N -ATOM 906 CA TYR A 48 5.766 15.481 21.569 1.00 15.48 C -ATOM 907 C TYR A 48 4.862 15.407 22.799 1.00 14.30 C -ATOM 908 O TYR A 48 3.640 15.336 22.636 1.00 15.68 O -ATOM 909 CB TYR A 48 5.795 14.104 20.921 1.00 16.19 C -ATOM 910 CG TYR A 48 6.393 14.037 19.523 1.00 14.80 C -ATOM 911 CD1 TYR A 48 6.088 14.981 18.543 1.00 15.42 C -ATOM 912 CD2 TYR A 48 7.252 13.011 19.190 1.00 16.30 C -ATOM 913 CE1 TYR A 48 6.631 14.892 17.257 1.00 14.86 C -ATOM 914 CE2 TYR A 48 7.781 12.907 17.907 1.00 15.92 C -ATOM 915 CZ TYR A 48 7.463 13.851 16.957 1.00 14.90 C -ATOM 916 OH TYR A 48 8.009 13.727 15.685 1.00 16.49 O -ATOM 917 H TYR A 48 7.703 15.264 21.896 1.00 20.14 H -ATOM 918 HA TYR A 48 5.367 16.138 20.978 1.00 18.60 H -ATOM 919 HB2 TYR A 48 6.318 13.514 21.485 1.00 19.46 H -ATOM 920 HB3 TYR A 48 4.882 13.780 20.858 1.00 19.46 H -ATOM 921 HD1 TYR A 48 5.513 15.683 18.748 1.00 18.53 H -ATOM 922 HD2 TYR A 48 7.481 12.378 19.832 1.00 19.58 H -ATOM 923 HE1 TYR A 48 6.429 15.533 16.615 1.00 17.85 H -ATOM 924 HE2 TYR A 48 8.347 12.202 17.691 1.00 19.13 H -ATOM 925 HH TYR A 48 8.063 14.482 15.320 1.00 19.81 H -ATOM 926 N LYS A 49 5.412 15.371 24.020 1.00 15.96 N -ATOM 927 CA LYS A 49 4.544 15.157 25.173 1.00 17.10 C -ATOM 928 C LYS A 49 3.496 16.261 25.278 1.00 16.92 C -ATOM 929 O LYS A 49 3.827 17.455 25.263 1.00 19.29 O -ATOM 930 CB LYS A 49 5.400 15.114 26.425 1.00 18.45 C -ATOM 931 CG LYS A 49 4.572 14.818 27.648 1.00 21.31 C -ATOM 932 CD LYS A 49 5.442 14.569 28.874 1.00 27.32 C -ATOM 933 CE LYS A 49 4.567 14.336 30.107 1.00 30.82 C -ATOM 934 NZ LYS A 49 5.388 14.055 31.324 1.00 56.27 N -ATOM 935 H LYS A 49 6.249 15.464 24.195 1.00 19.18 H -ATOM 936 HA LYS A 49 4.070 14.316 25.080 1.00 20.55 H -ATOM 937 HB2 LYS A 49 6.069 14.418 26.332 1.00 22.17 H -ATOM 938 HB3 LYS A 49 5.831 15.974 26.548 1.00 22.17 H -ATOM 939 HG2 LYS A 49 3.995 15.575 27.834 1.00 25.60 H -ATOM 940 HG3 LYS A 49 4.038 14.025 27.488 1.00 25.60 H -ATOM 941 HD2 LYS A 49 5.990 13.782 28.729 1.00 32.81 H -ATOM 942 HD3 LYS A 49 6.006 15.341 29.035 1.00 32.81 H -ATOM 943 HE2 LYS A 49 4.034 15.128 30.276 1.00 37.00 H -ATOM 944 HE3 LYS A 49 3.987 13.574 29.949 1.00 37.00 H -ATOM 945 HZ1 LYS A 49 4.857 13.902 32.021 1.00 67.54 H -ATOM 946 HZ2 LYS A 49 5.900 13.340 31.188 1.00 67.54 H -ATOM 947 HZ3 LYS A 49 5.910 14.753 31.506 1.00 67.54 H -ATOM 948 N GLY A 50 2.226 15.872 25.382 1.00 15.98 N -ATOM 949 CA GLY A 50 1.129 16.810 25.480 1.00 16.70 C -ATOM 950 C GLY A 50 0.510 17.229 24.171 1.00 18.27 C -ATOM 951 O GLY A 50 -0.542 17.878 24.174 1.00 21.81 O -ATOM 952 H GLY A 50 1.976 15.050 25.398 1.00 19.20 H -ATOM 953 HA2 GLY A 50 0.429 16.410 26.020 1.00 20.06 H -ATOM 954 HA3 GLY A 50 1.448 17.612 25.922 1.00 20.06 H -ATOM 955 N SER A 51 1.105 16.847 23.049 1.00 15.61 N -ATOM 956 CA SER A 51 0.621 17.264 21.748 1.00 16.40 C -ATOM 957 C SER A 51 -0.496 16.348 21.268 1.00 16.52 C -ATOM 958 O SER A 51 -0.752 15.296 21.840 1.00 17.46 O -ATOM 959 CB SER A 51 1.769 17.298 20.742 1.00 17.08 C -ATOM 960 OG SER A 51 2.284 16.014 20.442 1.00 16.46 O -ATOM 961 H SER A 51 1.800 16.341 23.017 1.00 18.76 H -ATOM 962 HA SER A 51 0.255 18.160 21.817 1.00 19.70 H -ATOM 963 HB2 SER A 51 1.443 17.698 19.920 1.00 20.52 H -ATOM 964 HB3 SER A 51 2.485 17.838 21.112 1.00 20.52 H -ATOM 965 HG SER A 51 1.778 15.421 20.755 1.00 19.78 H -ATOM 966 N CYS A 52 -1.212 16.773 20.236 1.00 15.94 N -ATOM 967 CA CYS A 52 -2.384 16.052 19.781 1.00 16.97 C -ATOM 968 C CYS A 52 -2.191 15.441 18.396 1.00 17.04 C -ATOM 969 O CYS A 52 -1.278 15.794 17.647 1.00 16.92 O -ATOM 970 CB CYS A 52 -3.610 16.962 19.761 1.00 18.40 C -ATOM 971 SG CYS A 52 -3.705 18.126 18.398 1.00 23.09 S -ATOM 972 H CYS A 52 -1.034 17.482 19.782 1.00 19.15 H -ATOM 973 HA CYS A 52 -2.534 15.319 20.398 1.00 20.39 H -ATOM 974 HB2 CYS A 52 -4.401 16.403 19.715 1.00 22.10 H -ATOM 975 HB3 CYS A 52 -3.616 17.480 20.581 1.00 22.10 H -ATOM 976 HG CYS A 52 -3.739 17.517 17.365 1.00 27.73 H -ATOM 977 N PHE A 53 -3.052 14.495 18.073 1.00 15.39 N -ATOM 978 CA PHE A 53 -3.218 14.025 16.703 1.00 14.81 C -ATOM 979 C PHE A 53 -4.323 14.860 16.081 1.00 15.96 C -ATOM 980 O PHE A 53 -5.499 14.702 16.435 1.00 20.27 O -ATOM 981 CB PHE A 53 -3.602 12.545 16.706 1.00 16.35 C -ATOM 982 CG PHE A 53 -2.449 11.623 16.916 1.00 16.91 C -ATOM 983 CD1 PHE A 53 -1.966 11.335 18.186 1.00 19.11 C -ATOM 984 CD2 PHE A 53 -1.829 11.054 15.816 1.00 17.68 C -ATOM 985 CE1 PHE A 53 -0.881 10.494 18.341 1.00 17.97 C -ATOM 986 CE2 PHE A 53 -0.760 10.217 15.967 1.00 19.83 C -ATOM 987 CZ PHE A 53 -0.283 9.943 17.231 1.00 18.88 C -ATOM 988 H PHE A 53 -3.565 14.098 18.638 1.00 18.49 H -ATOM 989 HA PHE A 53 -2.398 14.134 16.197 1.00 17.79 H -ATOM 990 HB2 PHE A 53 -4.238 12.390 17.422 1.00 19.65 H -ATOM 991 HB3 PHE A 53 -4.004 12.326 15.851 1.00 19.65 H -ATOM 992 HD1 PHE A 53 -2.374 11.709 18.934 1.00 22.95 H -ATOM 993 HD2 PHE A 53 -2.146 11.244 14.963 1.00 21.24 H -ATOM 994 HE1 PHE A 53 -0.557 10.301 19.191 1.00 21.58 H -ATOM 995 HE2 PHE A 53 -0.356 9.835 15.222 1.00 23.82 H -ATOM 996 HZ PHE A 53 0.451 9.381 17.335 1.00 22.69 H -ATOM 997 N HIS A 54 -3.958 15.729 15.162 1.00 15.80 N -ATOM 998 CA HIS A 54 -4.904 16.697 14.648 1.00 17.44 C -ATOM 999 C HIS A 54 -5.685 16.231 13.431 1.00 18.88 C -ATOM 1000 O HIS A 54 -6.689 16.869 13.093 1.00 20.36 O -ATOM 1001 CB HIS A 54 -4.186 18.009 14.328 1.00 18.78 C -ATOM 1002 CG HIS A 54 -3.203 17.888 13.219 1.00 18.76 C -ATOM 1003 ND1 HIS A 54 -1.925 17.420 13.415 1.00 19.56 N -ATOM 1004 CD2 HIS A 54 -3.325 18.113 11.890 1.00 19.57 C -ATOM 1005 CE1 HIS A 54 -1.290 17.393 12.256 1.00 19.94 C -ATOM 1006 NE2 HIS A 54 -2.118 17.824 11.320 1.00 20.60 N -ATOM 1007 H HIS A 54 -3.170 15.779 14.820 1.00 18.98 H -ATOM 1008 HA HIS A 54 -5.558 16.870 15.344 1.00 20.95 H -ATOM 1009 HB2 HIS A 54 -4.846 18.673 14.071 1.00 22.56 H -ATOM 1010 HB3 HIS A 54 -3.708 18.306 15.119 1.00 22.56 H -ATOM 1011 HD2 HIS A 54 -4.088 18.409 11.447 1.00 23.51 H -ATOM 1012 HE1 HIS A 54 -0.411 17.118 12.122 1.00 23.95 H -ATOM 1013 N AARG A 55 -5.242 15.177 12.750 0.57 14.83 N -ATOM 1014 CA AARG A 55 -5.897 14.693 11.549 0.57 15.61 C -ATOM 1015 C AARG A 55 -5.934 13.176 11.632 0.57 16.50 C -ATOM 1016 O AARG A 55 -4.896 12.535 11.783 0.57 15.39 O -ATOM 1017 CB AARG A 55 -5.114 15.172 10.324 0.57 19.35 C -ATOM 1018 CG AARG A 55 -5.723 14.861 8.969 0.57 21.97 C -ATOM 1019 CD AARG A 55 -4.966 15.646 7.878 0.57 19.23 C -ATOM 1020 NE AARG A 55 -5.457 15.389 6.529 0.57 39.62 N -ATOM 1021 CZ AARG A 55 -4.861 14.592 5.650 0.57 56.17 C -ATOM 1022 NH1AARG A 55 -3.759 13.924 5.953 0.57 76.67 N -ATOM 1023 NH2AARG A 55 -5.383 14.465 4.434 0.57 65.58 N -ATOM 1024 H AARG A 55 -4.549 14.719 12.973 0.57 17.82 H -ATOM 1025 HA AARG A 55 -6.811 15.011 11.479 0.57 18.75 H -ATOM 1026 HB2AARG A 55 -5.025 16.136 10.381 0.57 23.24 H -ATOM 1027 HB3AARG A 55 -4.238 14.756 10.344 0.57 23.24 H -ATOM 1028 HG2AARG A 55 -5.647 13.912 8.783 0.57 26.39 H -ATOM 1029 HG3AARG A 55 -6.656 15.128 8.958 0.57 26.39 H -ATOM 1030 HD2AARG A 55 -5.061 16.596 8.052 0.57 23.10 H -ATOM 1031 HD3AARG A 55 -4.029 15.396 7.906 0.57 23.10 H -ATOM 1032 HE AARG A 55 -6.183 15.780 6.286 0.57 47.57 H -ATOM 1033 HH11AARG A 55 -3.412 14.001 6.736 0.57 92.02 H -ATOM 1034 HH12AARG A 55 -3.391 13.414 5.367 0.57 92.02 H -ATOM 1035 HH21AARG A 55 -6.098 14.895 4.226 0.57 78.72 H -ATOM 1036 HH22AARG A 55 -5.006 13.952 3.856 0.57 78.72 H -ATOM 1037 N BARG A 55 -5.279 15.151 12.756 0.43 14.74 N -ATOM 1038 CA BARG A 55 -5.939 14.725 11.524 0.43 15.59 C -ATOM 1039 C BARG A 55 -5.941 13.202 11.451 0.43 16.92 C -ATOM 1040 O BARG A 55 -4.887 12.588 11.259 0.43 16.54 O -ATOM 1041 CB BARG A 55 -5.229 15.338 10.316 0.43 18.60 C -ATOM 1042 CG BARG A 55 -5.911 15.127 8.974 0.43 23.83 C -ATOM 1043 CD BARG A 55 -5.448 16.195 7.976 0.43 28.55 C -ATOM 1044 NE BARG A 55 -5.639 15.814 6.581 0.43 39.56 N -ATOM 1045 CZ BARG A 55 -6.811 15.792 5.965 0.43 36.23 C -ATOM 1046 NH1BARG A 55 -7.936 16.056 6.609 0.43 57.97 N -ATOM 1047 NH2BARG A 55 -6.858 15.488 4.670 0.43 19.61 N -ATOM 1048 H BARG A 55 -4.622 14.650 12.994 0.43 17.72 H -ATOM 1049 HA BARG A 55 -6.867 15.007 11.536 0.43 18.73 H -ATOM 1050 HB2BARG A 55 -5.160 16.295 10.457 0.43 22.34 H -ATOM 1051 HB3BARG A 55 -4.343 14.947 10.253 0.43 22.34 H -ATOM 1052 HG2BARG A 55 -5.680 14.253 8.624 0.43 28.62 H -ATOM 1053 HG3BARG A 55 -6.873 15.198 9.082 0.43 28.62 H -ATOM 1054 HD2BARG A 55 -5.952 17.009 8.132 0.43 34.29 H -ATOM 1055 HD3BARG A 55 -4.501 16.360 8.111 0.43 34.29 H -ATOM 1056 HE BARG A 55 -4.944 15.587 6.129 0.43 47.50 H -ATOM 1057 HH11BARG A 55 -7.916 16.247 7.447 0.43 69.59 H -ATOM 1058 HH12BARG A 55 -8.686 16.036 6.190 0.43 69.59 H -ATOM 1059 HH21BARG A 55 -6.133 15.309 4.244 0.43 23.56 H -ATOM 1060 HH22BARG A 55 -7.614 15.470 4.260 0.43 23.56 H -ATOM 1061 N ILE A 56 -7.122 12.594 11.579 1.00 15.02 N -ATOM 1062 CA ILE A 56 -7.276 11.144 11.579 1.00 14.51 C -ATOM 1063 C ILE A 56 -8.312 10.804 10.519 1.00 15.00 C -ATOM 1064 O ILE A 56 -9.471 11.225 10.644 1.00 16.44 O -ATOM 1065 CB ILE A 56 -7.689 10.591 12.952 1.00 16.70 C -ATOM 1066 CG1 ILE A 56 -6.600 10.905 13.975 1.00 16.13 C -ATOM 1067 CG2 ILE A 56 -7.909 9.106 12.861 1.00 17.87 C -ATOM 1068 CD1 ILE A 56 -6.900 10.341 15.354 1.00 20.06 C -ATOM 1069 HA ILE A 56 -6.434 10.726 11.340 1.00 17.43 H -ATOM 1070 HB ILE A 56 -8.517 11.012 13.232 1.00 20.07 H -ATOM 1071 HG12 ILE A 56 -5.762 10.522 13.671 1.00 19.38 H -ATOM 1072 HG13 ILE A 56 -6.514 11.868 14.058 1.00 19.38 H -ATOM 1073 HG21 ILE A 56 -8.159 8.769 13.736 1.00 21.47 H -ATOM 1074 HG22 ILE A 56 -8.619 8.931 12.224 1.00 21.47 H -ATOM 1075 HG23 ILE A 56 -7.088 8.682 12.566 1.00 21.47 H -ATOM 1076 HD11 ILE A 56 -6.289 10.735 15.996 1.00 24.10 H -ATOM 1077 HD12 ILE A 56 -7.815 10.558 15.591 1.00 24.10 H -ATOM 1078 HD13 ILE A 56 -6.782 9.379 15.333 1.00 24.10 H -ATOM 1079 H AILE A 56 -7.867 13.023 11.541 0.57 18.04 H -ATOM 1080 H BILE A 56 -7.867 13.015 11.669 0.43 18.04 H -ATOM 1081 N ILE A 57 -7.910 10.051 9.500 1.00 14.75 N -ATOM 1082 CA ILE A 57 -8.791 9.646 8.408 1.00 15.54 C -ATOM 1083 C ILE A 57 -8.850 8.133 8.446 1.00 17.12 C -ATOM 1084 O ILE A 57 -7.872 7.457 8.107 1.00 17.64 O -ATOM 1085 CB ILE A 57 -8.290 10.166 7.059 1.00 16.32 C -ATOM 1086 CG1 ILE A 57 -8.233 11.684 7.088 1.00 19.99 C -ATOM 1087 CG2 ILE A 57 -9.256 9.691 5.950 1.00 19.42 C -ATOM 1088 CD1 ILE A 57 -7.576 12.277 5.892 1.00 24.42 C -ATOM 1089 H ILE A 57 -7.108 9.752 9.415 1.00 17.72 H -ATOM 1090 HA ILE A 57 -9.681 10.010 8.533 1.00 18.67 H -ATOM 1091 HB ILE A 57 -7.399 9.823 6.883 1.00 19.60 H -ATOM 1092 HG12 ILE A 57 -9.138 12.029 7.131 1.00 24.01 H -ATOM 1093 HG13 ILE A 57 -7.733 11.963 7.871 1.00 24.01 H -ATOM 1094 HG21 ILE A 57 -8.959 10.047 5.098 1.00 23.32 H -ATOM 1095 HG22 ILE A 57 -9.253 8.721 5.922 1.00 23.32 H -ATOM 1096 HG23 ILE A 57 -10.149 10.012 6.150 1.00 23.32 H -ATOM 1097 HD11 ILE A 57 -7.531 13.240 6.001 1.00 29.33 H -ATOM 1098 HD12 ILE A 57 -6.681 11.912 5.809 1.00 29.33 H -ATOM 1099 HD13 ILE A 57 -8.097 12.058 5.103 1.00 29.33 H -ATOM 1100 N PRO A 58 -9.982 7.563 8.858 1.00 17.72 N -ATOM 1101 CA PRO A 58 -10.075 6.114 8.958 1.00 18.49 C -ATOM 1102 C PRO A 58 -9.855 5.457 7.610 1.00 19.60 C -ATOM 1103 O PRO A 58 -10.333 5.933 6.571 1.00 21.43 O -ATOM 1104 CB PRO A 58 -11.504 5.892 9.485 1.00 20.61 C -ATOM 1105 CG PRO A 58 -11.875 7.178 10.149 1.00 20.02 C -ATOM 1106 CD PRO A 58 -11.190 8.246 9.349 1.00 20.07 C -ATOM 1107 HA PRO A 58 -9.435 5.762 9.597 1.00 22.21 H -ATOM 1108 HB2 PRO A 58 -12.102 5.697 8.747 1.00 24.75 H -ATOM 1109 HB3 PRO A 58 -11.512 5.159 10.120 1.00 24.75 H -ATOM 1110 HG2 PRO A 58 -12.838 7.294 10.128 1.00 24.05 H -ATOM 1111 HG3 PRO A 58 -11.561 7.179 11.067 1.00 24.05 H -ATOM 1112 HD2 PRO A 58 -11.748 8.538 8.611 1.00 24.11 H -ATOM 1113 HD3 PRO A 58 -10.958 9.003 9.908 1.00 24.11 H -ATOM 1114 N GLY A 59 -9.101 4.366 7.641 1.00 20.33 N -ATOM 1115 CA GLY A 59 -8.721 3.675 6.426 1.00 23.84 C -ATOM 1116 C GLY A 59 -7.584 4.332 5.676 1.00 24.44 C -ATOM 1117 O GLY A 59 -7.346 4.003 4.508 1.00 23.50 O -ATOM 1118 H GLY A 59 -8.797 4.006 8.360 1.00 24.42 H -ATOM 1119 HA2 GLY A 59 -8.449 2.772 6.651 1.00 28.63 H -ATOM 1120 HA3 GLY A 59 -9.488 3.636 5.834 1.00 28.63 H -ATOM 1121 N APHE A 60 -6.921 5.298 6.291 0.63 18.25 N -ATOM 1122 CA APHE A 60 -5.832 6.014 5.643 0.63 15.18 C -ATOM 1123 C APHE A 60 -4.709 6.201 6.665 0.63 14.03 C -ATOM 1124 O APHE A 60 -3.746 5.419 6.675 0.63 14.44 O -ATOM 1125 CB APHE A 60 -6.368 7.329 5.062 0.63 17.60 C -ATOM 1126 CG APHE A 60 -5.344 8.171 4.364 0.63 12.16 C -ATOM 1127 CD1APHE A 60 -4.119 7.649 3.966 0.63 15.39 C -ATOM 1128 CD2APHE A 60 -5.615 9.494 4.105 0.63 17.26 C -ATOM 1129 CE1APHE A 60 -3.194 8.438 3.331 0.63 17.95 C -ATOM 1130 CE2APHE A 60 -4.694 10.285 3.487 0.63 16.45 C -ATOM 1131 CZ APHE A 60 -3.483 9.759 3.086 0.63 18.25 C -ATOM 1132 H APHE A 60 -7.083 5.562 7.093 0.63 21.93 H -ATOM 1133 HA APHE A 60 -5.456 5.529 4.892 0.63 18.24 H -ATOM 1134 HB2APHE A 60 -7.062 7.121 4.417 0.63 21.14 H -ATOM 1135 HB3APHE A 60 -6.736 7.859 5.786 0.63 21.14 H -ATOM 1136 HD1APHE A 60 -3.925 6.755 4.131 0.63 18.49 H -ATOM 1137 HD2APHE A 60 -6.436 9.853 4.354 0.63 20.73 H -ATOM 1138 HE1APHE A 60 -2.376 8.082 3.069 0.63 21.56 H -ATOM 1139 HE2APHE A 60 -4.883 11.183 3.335 0.63 19.76 H -ATOM 1140 HZ APHE A 60 -2.863 10.299 2.650 0.63 21.92 H -ATOM 1141 N BPHE A 60 -6.840 5.237 6.314 0.37 18.05 N -ATOM 1142 CA BPHE A 60 -5.693 5.863 5.656 0.37 15.57 C -ATOM 1143 C BPHE A 60 -4.541 6.119 6.628 0.37 13.62 C -ATOM 1144 O BPHE A 60 -3.445 5.580 6.434 0.37 13.86 O -ATOM 1145 CB BPHE A 60 -6.123 7.150 4.935 0.37 12.73 C -ATOM 1146 CG BPHE A 60 -4.999 7.898 4.248 0.37 16.92 C -ATOM 1147 CD1BPHE A 60 -3.865 7.249 3.783 0.37 16.72 C -ATOM 1148 CD2BPHE A 60 -5.092 9.265 4.074 0.37 16.54 C -ATOM 1149 CE1BPHE A 60 -2.855 7.962 3.158 0.37 21.95 C -ATOM 1150 CE2BPHE A 60 -4.090 9.976 3.461 0.37 18.98 C -ATOM 1151 CZ BPHE A 60 -2.969 9.327 3.002 0.37 20.88 C -ATOM 1152 H BPHE A 60 -6.979 5.503 7.120 0.37 21.69 H -ATOM 1153 HA BPHE A 60 -5.351 5.251 4.986 0.37 18.71 H -ATOM 1154 HB2BPHE A 60 -6.777 6.919 4.257 0.37 15.30 H -ATOM 1155 HB3BPHE A 60 -6.518 7.751 5.587 0.37 15.30 H -ATOM 1156 HD1BPHE A 60 -3.782 6.329 3.891 0.37 20.09 H -ATOM 1157 HD2BPHE A 60 -5.849 9.712 4.378 0.37 19.87 H -ATOM 1158 HE1BPHE A 60 -2.100 7.519 2.844 0.37 26.36 H -ATOM 1159 HE2BPHE A 60 -4.170 10.897 3.356 0.37 22.79 H -ATOM 1160 HZ BPHE A 60 -2.289 9.807 2.587 0.37 25.08 H -ATOM 1161 N AMET A 61 -4.821 7.210 7.543 0.63 12.52 N -ATOM 1162 CA AMET A 61 -3.707 7.514 8.436 0.63 13.05 C -ATOM 1163 C AMET A 61 -4.150 8.292 9.656 0.63 14.44 C -ATOM 1164 O AMET A 61 -5.198 8.940 9.669 0.63 15.66 O -ATOM 1165 CB AMET A 61 -2.643 8.318 7.693 0.63 15.57 C -ATOM 1166 CG AMET A 61 -3.205 9.534 6.997 0.63 16.30 C -ATOM 1167 SD AMET A 61 -1.946 10.833 6.840 0.63 27.75 S -ATOM 1168 CE AMET A 61 -0.970 10.329 5.425 0.63 56.81 C -ATOM 1169 H AMET A 61 -5.513 7.713 7.635 0.63 15.05 H -ATOM 1170 HA AMET A 61 -3.351 6.667 8.747 0.63 15.69 H -ATOM 1171 HB2AMET A 61 -1.975 8.619 8.329 0.63 18.70 H -ATOM 1172 HB3AMET A 61 -2.231 7.752 7.022 0.63 18.70 H -ATOM 1173 HG2AMET A 61 -3.505 9.287 6.108 0.63 19.59 H -ATOM 1174 HG3AMET A 61 -3.948 9.886 7.512 0.63 19.59 H -ATOM 1175 HE1AMET A 61 -0.196 10.910 5.352 0.63 68.19 H -ATOM 1176 HE2AMET A 61 -0.683 9.411 5.550 0.63 68.19 H -ATOM 1177 HE3AMET A 61 -1.513 10.400 4.625 0.63 68.19 H -ATOM 1178 N BMET A 61 -4.748 6.931 7.668 0.37 15.47 N -ATOM 1179 CA BMET A 61 -3.639 7.245 8.571 0.37 14.45 C -ATOM 1180 C BMET A 61 -4.107 8.168 9.689 0.37 14.26 C -ATOM 1181 O BMET A 61 -5.209 8.719 9.655 0.37 16.27 O -ATOM 1182 CB BMET A 61 -2.476 7.889 7.801 0.37 14.44 C -ATOM 1183 CG BMET A 61 -2.835 9.200 7.093 0.37 16.95 C -ATOM 1184 SD BMET A 61 -2.832 10.691 8.120 0.37 16.03 S -ATOM 1185 CE BMET A 61 -1.267 10.520 8.936 0.37 30.97 C -ATOM 1186 H BMET A 61 -5.499 7.302 7.865 0.37 18.59 H -ATOM 1187 HA BMET A 61 -3.347 6.418 8.986 0.37 17.36 H -ATOM 1188 HB2BMET A 61 -1.759 8.079 8.426 0.37 17.35 H -ATOM 1189 HB3BMET A 61 -2.169 7.264 7.124 0.37 17.35 H -ATOM 1190 HG2BMET A 61 -2.195 9.345 6.379 0.37 20.36 H -ATOM 1191 HG3BMET A 61 -3.728 9.110 6.724 0.37 20.36 H -ATOM 1192 HE1BMET A 61 -1.057 11.349 9.394 0.37 37.18 H -ATOM 1193 HE2BMET A 61 -1.322 9.793 9.576 0.37 37.18 H -ATOM 1194 HE3BMET A 61 -0.585 10.326 8.273 0.37 37.18 H -ATOM 1195 N ACYS A 62 -3.297 8.239 10.680 0.63 12.98 N -ATOM 1196 CA ACYS A 62 -3.346 9.154 11.807 0.63 14.37 C -ATOM 1197 C ACYS A 62 -2.139 10.072 11.700 0.63 15.40 C -ATOM 1198 O ACYS A 62 -1.013 9.588 11.544 0.63 15.21 O -ATOM 1199 CB ACYS A 62 -3.251 8.398 13.131 0.63 10.53 C -ATOM 1200 SG ACYS A 62 -4.569 7.177 13.359 0.63 13.93 S -ATOM 1201 H ACYS A 62 -2.662 7.662 10.740 0.63 15.60 H -ATOM 1202 HA ACYS A 62 -4.174 9.660 11.791 0.63 17.27 H -ATOM 1203 HB2ACYS A 62 -2.402 7.929 13.163 0.63 12.66 H -ATOM 1204 HB3ACYS A 62 -3.306 9.035 13.860 0.63 12.66 H -ATOM 1205 HG ACYS A 62 -4.472 6.697 14.455 0.63 16.74 H -ATOM 1206 N BCYS A 62 -3.239 8.335 10.688 0.37 12.72 N -ATOM 1207 CA BCYS A 62 -3.467 9.300 11.758 0.37 15.20 C -ATOM 1208 C BCYS A 62 -2.226 10.166 11.915 0.37 12.95 C -ATOM 1209 O BCYS A 62 -1.122 9.649 12.173 0.37 12.73 O -ATOM 1210 CB BCYS A 62 -3.833 8.624 13.080 0.37 25.62 C -ATOM 1211 SG BCYS A 62 -2.708 7.343 13.611 0.37 47.73 S -ATOM 1212 H BCYS A 62 -2.504 7.896 10.766 0.37 15.28 H -ATOM 1213 HA BCYS A 62 -4.209 9.872 11.508 0.37 18.27 H -ATOM 1214 HB2BCYS A 62 -3.853 9.301 13.775 0.37 30.77 H -ATOM 1215 HB3BCYS A 62 -4.710 8.220 12.985 0.37 30.77 H -ATOM 1216 HG BCYS A 62 -3.134 6.840 14.614 0.37 57.30 H -ATOM 1217 N AGLN A 63 -2.352 11.379 11.806 0.63 14.19 N -ATOM 1218 CA AGLN A 63 -1.260 12.340 11.702 0.63 14.89 C -ATOM 1219 C AGLN A 63 -1.154 13.212 12.946 0.63 13.35 C -ATOM 1220 O AGLN A 63 -2.151 13.772 13.434 0.63 13.22 O -ATOM 1221 CB AGLN A 63 -1.409 13.232 10.473 0.63 12.83 C -ATOM 1222 CG AGLN A 63 -0.327 14.303 10.379 0.63 16.09 C -ATOM 1223 CD AGLN A 63 -0.246 14.948 9.001 0.63 18.94 C -ATOM 1224 OE1AGLN A 63 -0.775 14.422 8.018 0.63 22.68 O -ATOM 1225 NE2AGLN A 63 0.425 16.093 8.926 0.63 19.15 N -ATOM 1226 H AGLN A 63 -3.124 11.735 11.938 0.63 17.05 H -ATOM 1227 HA AGLN A 63 -0.438 11.830 11.634 0.63 17.89 H -ATOM 1228 HB2AGLN A 63 -1.355 12.681 9.676 0.63 15.41 H -ATOM 1229 HB3AGLN A 63 -2.269 13.677 10.510 0.63 15.41 H -ATOM 1230 HG2AGLN A 63 -0.519 15.002 11.025 0.63 19.33 H -ATOM 1231 HG3AGLN A 63 0.534 13.900 10.572 0.63 19.33 H -ATOM 1232 HE21AGLN A 63 0.501 16.498 8.171 0.63 23.00 H -ATOM 1233 HE22AGLN A 63 0.783 16.429 9.632 0.63 23.00 H -ATOM 1234 N BGLN A 63 -2.413 11.472 11.727 0.37 14.54 N -ATOM 1235 CA BGLN A 63 -1.344 12.455 11.702 0.37 15.19 C -ATOM 1236 C BGLN A 63 -1.179 13.117 13.059 0.37 13.61 C -ATOM 1237 O BGLN A 63 -2.161 13.444 13.737 0.37 13.77 O -ATOM 1238 CB BGLN A 63 -1.685 13.558 10.700 0.37 18.25 C -ATOM 1239 CG BGLN A 63 -0.475 14.296 10.172 0.37 17.09 C -ATOM 1240 CD BGLN A 63 -0.827 15.225 9.033 0.37 16.13 C -ATOM 1241 OE1BGLN A 63 -1.697 14.921 8.226 0.37 16.71 O -ATOM 1242 NE2BGLN A 63 -0.144 16.360 8.959 0.37 20.01 N -ATOM 1243 H BGLN A 63 -3.188 11.825 11.606 0.37 17.47 H -ATOM 1244 HA BGLN A 63 -0.516 12.008 11.465 0.37 18.25 H -ATOM 1245 HB2BGLN A 63 -2.143 13.161 9.943 0.37 21.93 H -ATOM 1246 HB3BGLN A 63 -2.261 14.207 11.134 0.37 21.93 H -ATOM 1247 HG2BGLN A 63 -0.089 14.826 10.887 0.37 20.54 H -ATOM 1248 HG3BGLN A 63 0.174 13.652 9.849 0.37 20.54 H -ATOM 1249 HE21BGLN A 63 -0.309 16.921 8.328 0.37 24.04 H -ATOM 1250 HE22BGLN A 63 0.463 16.535 9.542 0.37 24.04 H -ATOM 1251 N GLY A 64 0.069 13.356 13.429 1.00 13.05 N -ATOM 1252 CA GLY A 64 0.364 14.170 14.581 1.00 14.51 C -ATOM 1253 C GLY A 64 1.722 14.834 14.500 1.00 12.44 C -ATOM 1254 O GLY A 64 2.304 14.970 13.421 1.00 14.23 O -ATOM 1255 HA2 GLY A 64 -0.309 14.864 14.663 1.00 17.43 H -ATOM 1256 HA3 GLY A 64 0.344 13.616 15.377 1.00 17.43 H -ATOM 1257 H AGLY A 64 0.765 12.979 13.092 0.63 15.68 H -ATOM 1258 H BGLY A 64 0.764 13.055 13.022 0.37 15.68 H -ATOM 1259 N GLY A 65 2.197 15.328 15.634 1.00 13.39 N -ATOM 1260 CA GLY A 65 3.510 15.898 15.749 1.00 14.45 C -ATOM 1261 C GLY A 65 3.592 17.404 15.655 1.00 14.28 C -ATOM 1262 O GLY A 65 4.709 17.930 15.741 1.00 14.98 O -ATOM 1263 H GLY A 65 1.756 15.340 16.372 1.00 16.10 H -ATOM 1264 HA2 GLY A 65 3.881 15.639 16.607 1.00 17.36 H -ATOM 1265 HA3 GLY A 65 4.064 15.533 15.042 1.00 17.36 H -ATOM 1266 N ASP A 66 2.482 18.108 15.499 1.00 13.76 N -ATOM 1267 CA ASP A 66 2.525 19.576 15.474 1.00 14.43 C -ATOM 1268 C ASP A 66 2.384 20.072 16.909 1.00 13.05 C -ATOM 1269 O ASP A 66 1.274 20.384 17.360 1.00 15.76 O -ATOM 1270 CB ASP A 66 1.450 20.164 14.586 1.00 13.60 C -ATOM 1271 CG ASP A 66 1.489 21.676 14.552 1.00 14.73 C -ATOM 1272 OD1 ASP A 66 2.366 22.231 15.250 1.00 15.90 O -ATOM 1273 OD2 ASP A 66 0.654 22.226 13.804 1.00 16.43 O -ATOM 1274 H ASP A 66 1.697 17.769 15.406 1.00 16.54 H -ATOM 1275 HA ASP A 66 3.385 19.849 15.118 1.00 17.34 H -ATOM 1276 HB2 ASP A 66 1.573 19.839 13.680 1.00 16.34 H -ATOM 1277 HB3 ASP A 66 0.580 19.893 14.920 1.00 16.34 H -ATOM 1278 N PHE A 67 3.504 20.151 17.604 1.00 14.07 N -ATOM 1279 CA PHE A 67 3.499 20.542 19.004 1.00 15.90 C -ATOM 1280 C PHE A 67 3.583 22.047 19.184 1.00 19.37 C -ATOM 1281 O PHE A 67 3.559 22.491 20.340 1.00 18.17 O -ATOM 1282 CB PHE A 67 4.613 19.814 19.784 1.00 16.49 C -ATOM 1283 CG PHE A 67 5.999 20.057 19.267 1.00 16.82 C -ATOM 1284 CD1 PHE A 67 6.712 21.174 19.660 1.00 21.98 C -ATOM 1285 CD2 PHE A 67 6.624 19.165 18.407 1.00 19.18 C -ATOM 1286 CE1 PHE A 67 8.007 21.400 19.188 1.00 25.23 C -ATOM 1287 CE2 PHE A 67 7.898 19.412 17.932 1.00 20.15 C -ATOM 1288 CZ PHE A 67 8.585 20.508 18.322 1.00 21.90 C -ATOM 1289 H PHE A 67 4.286 19.982 17.287 1.00 16.91 H -ATOM 1290 HA PHE A 67 2.666 20.254 19.410 1.00 19.10 H -ATOM 1291 HB2 PHE A 67 4.589 20.112 20.707 1.00 19.82 H -ATOM 1292 HB3 PHE A 67 4.448 18.860 19.739 1.00 19.82 H -ATOM 1293 HD1 PHE A 67 6.324 21.783 20.246 1.00 26.40 H -ATOM 1294 HD2 PHE A 67 6.180 18.391 18.147 1.00 23.04 H -ATOM 1295 HE1 PHE A 67 8.476 22.154 19.461 1.00 30.30 H -ATOM 1296 HE2 PHE A 67 8.288 18.815 17.336 1.00 24.21 H -ATOM 1297 HZ PHE A 67 9.446 20.657 18.004 1.00 26.30 H -ATOM 1298 N THR A 68 3.630 22.852 18.117 1.00 17.33 N -ATOM 1299 CA THR A 68 3.648 24.310 18.290 1.00 17.94 C -ATOM 1300 C THR A 68 2.353 24.984 17.900 1.00 20.54 C -ATOM 1301 O THR A 68 2.014 25.997 18.515 1.00 20.15 O -ATOM 1302 CB THR A 68 4.806 24.981 17.545 1.00 20.19 C -ATOM 1303 OG1 THR A 68 4.605 24.845 16.133 1.00 20.62 O -ATOM 1304 CG2 THR A 68 6.156 24.413 17.999 1.00 21.38 C -ATOM 1305 H THR A 68 3.653 22.584 17.301 1.00 20.81 H -ATOM 1306 HA THR A 68 3.808 24.482 19.231 1.00 21.55 H -ATOM 1307 HB THR A 68 4.835 25.929 17.749 1.00 24.25 H -ATOM 1308 HG1 THR A 68 5.190 25.281 15.717 1.00 24.77 H -ATOM 1309 HG21 THR A 68 6.880 24.902 17.579 1.00 25.67 H -ATOM 1310 HG22 THR A 68 6.241 24.489 18.962 1.00 25.67 H -ATOM 1311 HG23 THR A 68 6.222 23.477 17.751 1.00 25.67 H -ATOM 1312 N ARG A 69 1.585 24.450 16.965 1.00 16.69 N -ATOM 1313 CA ARG A 69 0.335 25.055 16.527 1.00 17.98 C -ATOM 1314 C ARG A 69 -0.865 24.129 16.586 1.00 16.55 C -ATOM 1315 O ARG A 69 -2.001 24.598 16.442 1.00 17.72 O -ATOM 1316 CB ARG A 69 0.482 25.670 15.130 1.00 19.68 C -ATOM 1317 CG ARG A 69 1.567 26.738 15.149 1.00 23.53 C -ATOM 1318 CD ARG A 69 1.677 27.488 13.839 1.00 28.46 C -ATOM 1319 NE ARG A 69 0.439 28.191 13.552 1.00 27.60 N -ATOM 1320 CZ ARG A 69 0.040 29.290 14.183 1.00 46.12 C -ATOM 1321 NH1 ARG A 69 0.799 29.886 15.098 1.00 35.39 N -ATOM 1322 NH2 ARG A 69 -1.155 29.794 13.899 1.00 37.88 N -ATOM 1323 H ARG A 69 1.769 23.716 16.556 1.00 20.05 H -ATOM 1324 HA ARG A 69 0.128 25.794 17.121 1.00 21.60 H -ATOM 1325 HB2 ARG A 69 0.731 24.981 14.494 1.00 23.63 H -ATOM 1326 HB3 ARG A 69 -0.356 26.080 14.864 1.00 23.63 H -ATOM 1327 HG2 ARG A 69 1.366 27.381 15.846 1.00 28.26 H -ATOM 1328 HG3 ARG A 69 2.423 26.315 15.324 1.00 28.26 H -ATOM 1329 HD2 ARG A 69 2.396 28.137 13.896 1.00 34.18 H -ATOM 1330 HD3 ARG A 69 1.852 26.862 13.119 1.00 34.18 H -ATOM 1331 HE ARG A 69 -0.069 27.875 12.934 1.00 33.14 H -ATOM 1332 HH11 ARG A 69 1.570 29.560 15.295 1.00 42.49 H -ATOM 1333 HH12 ARG A 69 0.518 30.596 15.493 1.00 42.49 H -ATOM 1334 HH21 ARG A 69 -1.656 29.410 13.316 1.00 45.48 H -ATOM 1335 HH22 ARG A 69 -1.427 30.505 14.299 1.00 45.48 H -ATOM 1336 N HIS A 70 -0.660 22.825 16.803 1.00 16.55 N -ATOM 1337 CA HIS A 70 -1.727 21.878 17.143 1.00 16.40 C -ATOM 1338 C HIS A 70 -2.725 21.656 16.020 1.00 17.44 C -ATOM 1339 O HIS A 70 -3.832 21.163 16.261 1.00 20.43 O -ATOM 1340 CB HIS A 70 -2.453 22.298 18.429 1.00 15.69 C -ATOM 1341 CG HIS A 70 -1.556 22.981 19.403 1.00 16.64 C -ATOM 1342 ND1 HIS A 70 -0.509 22.344 20.027 1.00 17.40 N -ATOM 1343 CD2 HIS A 70 -1.483 24.283 19.789 1.00 17.26 C -ATOM 1344 CE1 HIS A 70 0.161 23.213 20.768 1.00 18.79 C -ATOM 1345 NE2 HIS A 70 -0.415 24.397 20.635 1.00 19.66 N -ATOM 1346 H HIS A 70 0.115 22.455 16.757 1.00 19.88 H -ATOM 1347 HA HIS A 70 -1.309 21.017 17.302 1.00 19.70 H -ATOM 1348 HB2 HIS A 70 -3.170 22.909 18.201 1.00 18.85 H -ATOM 1349 HB3 HIS A 70 -2.815 21.507 18.859 1.00 18.85 H -ATOM 1350 HD2 HIS A 70 -2.054 24.968 19.526 1.00 20.74 H -ATOM 1351 HE1 HIS A 70 0.907 23.024 21.291 1.00 22.58 H -ATOM 1352 N ASN A 71 -2.352 21.995 14.783 1.00 17.56 N -ATOM 1353 CA ASN A 71 -3.306 21.912 13.682 1.00 18.25 C -ATOM 1354 C ASN A 71 -2.706 21.549 12.334 1.00 18.05 C -ATOM 1355 O ASN A 71 -3.440 21.599 11.338 1.00 21.06 O -ATOM 1356 CB ASN A 71 -4.079 23.228 13.525 1.00 19.76 C -ATOM 1357 CG ASN A 71 -3.196 24.392 13.163 1.00 20.27 C -ATOM 1358 OD1 ASN A 71 -2.022 24.262 12.853 1.00 20.44 O -ATOM 1359 ND2 ASN A 71 -3.797 25.579 13.180 1.00 27.51 N -ATOM 1360 H ASN A 71 -1.568 22.269 14.561 1.00 21.09 H -ATOM 1361 HA ASN A 71 -3.925 21.205 13.921 1.00 21.93 H -ATOM 1362 HB2 ASN A 71 -4.739 23.123 12.821 1.00 23.73 H -ATOM 1363 HB3 ASN A 71 -4.519 23.436 14.364 1.00 23.73 H -ATOM 1364 HD21 ASN A 71 -3.353 26.288 12.983 1.00 33.04 H -ATOM 1365 HD22 ASN A 71 -4.630 25.636 13.387 1.00 33.04 H -ATOM 1366 N GLY A 72 -1.418 21.228 12.237 1.00 16.50 N -ATOM 1367 CA GLY A 72 -0.811 20.855 10.986 1.00 17.54 C -ATOM 1368 C GLY A 72 0.020 21.932 10.343 1.00 18.84 C -ATOM 1369 O GLY A 72 0.668 21.670 9.330 1.00 22.92 O -ATOM 1370 H GLY A 72 -0.873 21.222 12.901 1.00 19.82 H -ATOM 1371 HA2 GLY A 72 -0.237 20.088 11.136 1.00 21.07 H -ATOM 1372 HA3 GLY A 72 -1.511 20.609 10.362 1.00 21.07 H -ATOM 1373 N THR A 73 0.035 23.139 10.911 1.00 20.33 N -ATOM 1374 CA THR A 73 0.830 24.232 10.361 1.00 19.62 C -ATOM 1375 C THR A 73 2.146 24.474 11.090 1.00 21.77 C -ATOM 1376 O THR A 73 2.913 25.341 10.664 1.00 25.47 O -ATOM 1377 CB THR A 73 0.026 25.546 10.362 1.00 22.66 C -ATOM 1378 OG1 THR A 73 -0.230 25.977 11.701 1.00 23.38 O -ATOM 1379 CG2 THR A 73 -1.281 25.381 9.631 1.00 25.25 C -ATOM 1380 H THR A 73 -0.408 23.348 11.617 1.00 24.42 H -ATOM 1381 HA THR A 73 1.036 23.993 9.444 1.00 23.57 H -ATOM 1382 HB THR A 73 0.547 26.226 9.906 1.00 27.21 H -ATOM 1383 HG1 THR A 73 -0.848 25.518 12.037 1.00 28.08 H -ATOM 1384 HG21 THR A 73 -1.746 26.231 9.585 1.00 30.32 H -ATOM 1385 HG22 THR A 73 -1.120 25.061 8.730 1.00 30.32 H -ATOM 1386 HG23 THR A 73 -1.843 24.741 10.096 1.00 30.32 H -ATOM 1387 N GLY A 74 2.437 23.744 12.171 1.00 18.13 N -ATOM 1388 CA GLY A 74 3.629 23.979 12.947 1.00 17.96 C -ATOM 1389 C GLY A 74 4.553 22.789 13.124 1.00 17.88 C -ATOM 1390 O GLY A 74 4.576 21.873 12.286 1.00 20.60 O -ATOM 1391 H GLY A 74 1.947 23.103 12.469 1.00 21.78 H -ATOM 1392 HA2 GLY A 74 4.141 24.682 12.518 1.00 21.58 H -ATOM 1393 HA3 GLY A 74 3.365 24.275 13.832 1.00 21.58 H -ATOM 1394 N GLY A 75 5.312 22.789 14.193 1.00 18.70 N -ATOM 1395 CA GLY A 75 6.327 21.798 14.461 1.00 19.23 C -ATOM 1396 C GLY A 75 7.700 22.270 14.025 1.00 19.57 C -ATOM 1397 O GLY A 75 7.856 23.210 13.248 1.00 24.65 O -ATOM 1398 H GLY A 75 5.258 23.383 14.812 1.00 22.47 H -ATOM 1399 HA2 GLY A 75 6.354 21.610 15.413 1.00 23.09 H -ATOM 1400 HA3 GLY A 75 6.116 20.980 13.984 1.00 23.09 H -ATOM 1401 N LYS A 76 8.713 21.604 14.553 1.00 19.04 N -ATOM 1402 CA LYS A 76 10.093 21.824 14.147 1.00 21.61 C -ATOM 1403 C LYS A 76 10.902 20.599 14.533 1.00 19.48 C -ATOM 1404 O LYS A 76 10.529 19.845 15.433 1.00 19.93 O -ATOM 1405 CB LYS A 76 10.682 23.092 14.787 1.00 28.40 C -ATOM 1406 CG LYS A 76 10.709 23.073 16.295 1.00 27.48 C -ATOM 1407 CD LYS A 76 11.314 24.367 16.865 1.00 37.56 C -ATOM 1408 CE LYS A 76 11.461 24.296 18.383 1.00 53.49 C -ATOM 1409 NZ LYS A 76 12.152 25.487 18.956 1.00 63.95 N -ATOM 1410 H LYS A 76 8.627 21.004 15.163 1.00 22.88 H -ATOM 1411 HA LYS A 76 10.134 21.932 13.184 1.00 25.95 H -ATOM 1412 HB2 LYS A 76 11.595 23.199 14.478 1.00 34.10 H -ATOM 1413 HB3 LYS A 76 10.148 23.854 14.513 1.00 34.10 H -ATOM 1414 HG2 LYS A 76 9.804 22.985 16.632 1.00 33.00 H -ATOM 1415 HG3 LYS A 76 11.249 22.325 16.597 1.00 33.00 H -ATOM 1416 HD2 LYS A 76 12.193 24.508 16.480 1.00 45.10 H -ATOM 1417 HD3 LYS A 76 10.734 25.115 16.649 1.00 45.10 H -ATOM 1418 HE2 LYS A 76 10.579 24.241 18.783 1.00 64.22 H -ATOM 1419 HE3 LYS A 76 11.979 23.509 18.614 1.00 64.22 H -ATOM 1420 HZ1 LYS A 76 12.220 25.403 19.839 1.00 76.76 H -ATOM 1421 HZ2 LYS A 76 12.967 25.562 18.608 1.00 76.76 H -ATOM 1422 HZ3 LYS A 76 11.690 26.225 18.770 1.00 76.76 H -ATOM 1423 N SER A 77 12.015 20.405 13.840 1.00 19.90 N -ATOM 1424 CA SER A 77 12.907 19.295 14.113 1.00 17.99 C -ATOM 1425 C SER A 77 13.989 19.700 15.104 1.00 21.46 C -ATOM 1426 O SER A 77 14.147 20.871 15.444 1.00 22.29 O -ATOM 1427 CB SER A 77 13.554 18.805 12.814 1.00 19.25 C -ATOM 1428 OG SER A 77 14.716 19.573 12.442 1.00 21.23 O -ATOM 1429 H SER A 77 12.277 20.912 13.196 1.00 23.91 H -ATOM 1430 HA SER A 77 12.393 18.570 14.501 1.00 21.61 H -ATOM 1431 HB2 SER A 77 13.822 17.881 12.934 1.00 23.13 H -ATOM 1432 HB3 SER A 77 12.900 18.872 12.101 1.00 23.13 H -ATOM 1433 HG SER A 77 14.634 20.366 12.708 1.00 25.50 H -ATOM 1434 N ILE A 78 14.752 18.707 15.552 1.00 19.72 N -ATOM 1435 CA ILE A 78 15.888 18.972 16.432 1.00 19.50 C -ATOM 1436 C ILE A 78 17.053 19.591 15.674 1.00 23.21 C -ATOM 1437 O ILE A 78 18.040 19.988 16.304 1.00 29.74 O -ATOM 1438 CB ILE A 78 16.357 17.692 17.153 1.00 21.57 C -ATOM 1439 CG1 ILE A 78 16.905 16.661 16.169 1.00 23.37 C -ATOM 1440 CG2 ILE A 78 15.208 17.112 18.008 1.00 25.08 C -ATOM 1441 CD1 ILE A 78 17.633 15.523 16.838 1.00 22.48 C -ATOM 1442 H ILE A 78 14.635 17.876 15.363 1.00 23.69 H -ATOM 1443 HA ILE A 78 15.595 19.593 17.117 1.00 23.42 H -ATOM 1444 HB ILE A 78 17.089 17.928 17.744 1.00 25.91 H -ATOM 1445 HG12 ILE A 78 16.166 16.286 15.664 1.00 28.06 H -ATOM 1446 HG13 ILE A 78 17.527 17.100 15.568 1.00 28.06 H -ATOM 1447 HG21 ILE A 78 15.527 16.323 18.474 1.00 30.12 H -ATOM 1448 HG22 ILE A 78 14.922 17.781 18.649 1.00 30.12 H -ATOM 1449 HG23 ILE A 78 14.469 16.875 17.426 1.00 30.12 H -ATOM 1450 HD11 ILE A 78 18.006 14.942 16.157 1.00 27.00 H -ATOM 1451 HD12 ILE A 78 18.344 15.885 17.390 1.00 27.00 H -ATOM 1452 HD13 ILE A 78 17.006 15.028 17.389 1.00 27.00 H -ATOM 1453 N TYR A 79 16.978 19.651 14.342 1.00 22.26 N -ATOM 1454 CA TYR A 79 18.041 20.171 13.495 1.00 24.66 C -ATOM 1455 C TYR A 79 17.733 21.566 12.981 1.00 30.01 C -ATOM 1456 O TYR A 79 18.529 22.113 12.211 1.00 39.49 O -ATOM 1457 CB TYR A 79 18.249 19.249 12.288 1.00 27.05 C -ATOM 1458 CG TYR A 79 18.396 17.796 12.639 1.00 22.78 C -ATOM 1459 CD1 TYR A 79 19.463 17.347 13.393 1.00 23.99 C -ATOM 1460 CD2 TYR A 79 17.456 16.854 12.211 1.00 22.24 C -ATOM 1461 CE1 TYR A 79 19.597 16.014 13.726 1.00 25.49 C -ATOM 1462 CE2 TYR A 79 17.580 15.539 12.527 1.00 21.64 C -ATOM 1463 CZ TYR A 79 18.660 15.105 13.290 1.00 21.55 C -ATOM 1464 OH TYR A 79 18.803 13.794 13.631 1.00 23.18 O -ATOM 1465 H TYR A 79 16.294 19.385 13.894 1.00 26.74 H -ATOM 1466 HA TYR A 79 18.862 20.197 14.010 1.00 29.61 H -ATOM 1467 HB2 TYR A 79 17.483 19.333 11.699 1.00 32.48 H -ATOM 1468 HB3 TYR A 79 19.056 19.522 11.825 1.00 32.48 H -ATOM 1469 HD1 TYR A 79 20.104 17.956 13.682 1.00 28.81 H -ATOM 1470 HD2 TYR A 79 16.731 17.133 11.700 1.00 26.71 H -ATOM 1471 HE1 TYR A 79 20.317 15.732 14.243 1.00 30.62 H -ATOM 1472 HE2 TYR A 79 16.943 14.928 12.234 1.00 26.00 H -ATOM 1473 HH TYR A 79 18.610 13.304 12.976 1.00 27.84 H -ATOM 1474 N GLY A 80 16.607 22.146 13.365 1.00 25.94 N -ATOM 1475 CA GLY A 80 16.126 23.390 12.809 1.00 28.20 C -ATOM 1476 C GLY A 80 14.703 23.252 12.328 1.00 26.50 C -ATOM 1477 O GLY A 80 14.045 22.224 12.521 1.00 27.75 O -ATOM 1478 H GLY A 80 16.088 21.822 13.970 1.00 31.15 H -ATOM 1479 HA2 GLY A 80 16.161 24.086 13.484 1.00 33.86 H -ATOM 1480 HA3 GLY A 80 16.684 23.650 12.059 1.00 33.86 H -ATOM 1481 N GLU A 81 14.222 24.295 11.660 1.00 25.35 N -ATOM 1482 CA GLU A 81 12.843 24.313 11.198 1.00 26.63 C -ATOM 1483 C GLU A 81 12.548 23.125 10.297 1.00 24.26 C -ATOM 1484 O GLU A 81 11.470 22.525 10.377 1.00 30.30 O -ATOM 1485 CB GLU A 81 12.587 25.605 10.423 1.00 33.50 C -ATOM 1486 CG GLU A 81 12.684 26.858 11.269 1.00 74.61 C -ATOM 1487 CD GLU A 81 11.422 27.101 12.068 1.00 97.50 C -ATOM 1488 OE1 GLU A 81 10.375 27.372 11.440 1.00 90.40 O -ATOM 1489 OE2 GLU A 81 11.472 27.000 13.314 1.00 93.96 O -ATOM 1490 H GLU A 81 14.671 25.002 11.462 1.00 30.44 H -ATOM 1491 HA GLU A 81 12.254 24.272 11.968 1.00 31.98 H -ATOM 1492 HB2 GLU A 81 13.243 25.677 9.712 1.00 40.22 H -ATOM 1493 HB3 GLU A 81 11.694 25.571 10.047 1.00 40.22 H -ATOM 1494 HG2 GLU A 81 13.423 26.767 11.891 1.00 89.55 H -ATOM 1495 HG3 GLU A 81 12.829 27.623 10.691 1.00 89.55 H -ATOM 1496 N LYS A 82 13.500 22.760 9.441 1.00 23.18 N -ATOM 1497 CA LYS A 82 13.284 21.686 8.479 1.00 22.45 C -ATOM 1498 C LYS A 82 14.605 20.978 8.225 1.00 22.25 C -ATOM 1499 O LYS A 82 15.687 21.521 8.482 1.00 26.03 O -ATOM 1500 CB LYS A 82 12.697 22.202 7.162 1.00 26.65 C -ATOM 1501 CG LYS A 82 13.568 23.204 6.434 1.00 40.72 C -ATOM 1502 CD LYS A 82 12.838 23.829 5.249 1.00 70.36 C -ATOM 1503 CE LYS A 82 13.730 24.799 4.469 1.00 88.71 C -ATOM 1504 NZ LYS A 82 14.885 24.131 3.790 1.00103.31 N -ATOM 1505 H LYS A 82 14.280 23.119 9.399 1.00 27.84 H -ATOM 1506 HA LYS A 82 12.658 21.048 8.856 1.00 26.96 H -ATOM 1507 HB2 LYS A 82 12.560 21.448 6.568 1.00 32.01 H -ATOM 1508 HB3 LYS A 82 11.849 22.635 7.350 1.00 32.01 H -ATOM 1509 HG2 LYS A 82 13.820 23.914 7.045 1.00 48.89 H -ATOM 1510 HG3 LYS A 82 14.362 22.756 6.100 1.00 48.89 H -ATOM 1511 HD2 LYS A 82 12.553 23.127 4.644 1.00 84.45 H -ATOM 1512 HD3 LYS A 82 12.067 24.321 5.573 1.00 84.45 H -ATOM 1513 HE2 LYS A 82 13.196 25.236 3.787 1.00106.48 H -ATOM 1514 HE3 LYS A 82 14.088 25.459 5.084 1.00106.48 H -ATOM 1515 HZ1 LYS A 82 15.377 24.736 3.362 1.00123.99 H -ATOM 1516 HZ2 LYS A 82 15.394 23.718 4.392 1.00123.99 H -ATOM 1517 HZ3 LYS A 82 14.588 23.532 3.203 1.00123.99 H -ATOM 1518 N PHE A 83 14.513 19.732 7.760 1.00 18.40 N -ATOM 1519 CA PHE A 83 15.679 18.960 7.354 1.00 18.07 C -ATOM 1520 C PHE A 83 15.339 18.135 6.116 1.00 17.85 C -ATOM 1521 O PHE A 83 14.174 17.999 5.715 1.00 17.84 O -ATOM 1522 CB PHE A 83 16.310 18.132 8.489 1.00 17.79 C -ATOM 1523 CG PHE A 83 15.494 16.970 8.970 1.00 18.01 C -ATOM 1524 CD1 PHE A 83 14.431 17.151 9.848 1.00 18.15 C -ATOM 1525 CD2 PHE A 83 15.843 15.678 8.622 1.00 18.42 C -ATOM 1526 CE1 PHE A 83 13.707 16.042 10.315 1.00 18.13 C -ATOM 1527 CE2 PHE A 83 15.118 14.594 9.086 1.00 20.76 C -ATOM 1528 CZ PHE A 83 14.069 14.781 9.927 1.00 19.45 C -ATOM 1529 H PHE A 83 13.771 19.307 7.670 1.00 22.10 H -ATOM 1530 HA PHE A 83 16.382 19.574 7.089 1.00 21.71 H -ATOM 1531 HB2 PHE A 83 17.157 17.779 8.175 1.00 21.37 H -ATOM 1532 HB3 PHE A 83 16.455 18.717 9.249 1.00 21.37 H -ATOM 1533 HD1 PHE A 83 14.199 18.008 10.126 1.00 21.80 H -ATOM 1534 HD2 PHE A 83 16.576 15.535 8.068 1.00 22.12 H -ATOM 1535 HE1 PHE A 83 12.983 16.165 10.886 1.00 21.78 H -ATOM 1536 HE2 PHE A 83 15.351 13.733 8.821 1.00 24.93 H -ATOM 1537 HZ PHE A 83 13.593 14.047 10.242 1.00 23.36 H -ATOM 1538 N GLU A 84 16.396 17.641 5.470 1.00 17.70 N -ATOM 1539 CA GLU A 84 16.296 17.013 4.169 1.00 17.25 C -ATOM 1540 C GLU A 84 15.660 15.629 4.242 1.00 16.69 C -ATOM 1541 O GLU A 84 15.601 14.985 5.293 1.00 17.16 O -ATOM 1542 CB GLU A 84 17.710 16.903 3.564 1.00 18.08 C -ATOM 1543 CG GLU A 84 18.661 15.898 4.262 1.00 18.59 C -ATOM 1544 CD GLU A 84 19.418 16.429 5.479 1.00 21.51 C -ATOM 1545 OE1 GLU A 84 19.074 17.483 6.028 1.00 22.26 O -ATOM 1546 OE2 GLU A 84 20.387 15.749 5.879 1.00 25.30 O -ATOM 1547 H GLU A 84 17.199 17.660 5.778 1.00 21.26 H -ATOM 1548 HA GLU A 84 15.728 17.551 3.596 1.00 20.72 H -ATOM 1549 HB2 GLU A 84 17.625 16.624 2.639 1.00 21.72 H -ATOM 1550 HB3 GLU A 84 18.130 17.776 3.610 1.00 21.72 H -ATOM 1551 HG2 GLU A 84 18.135 15.139 4.560 1.00 22.33 H -ATOM 1552 HG3 GLU A 84 19.325 15.609 3.616 1.00 22.33 H -ATOM 1553 N ASP A 85 15.170 15.170 3.098 1.00 15.58 N -ATOM 1554 CA ASP A 85 14.762 13.784 2.916 1.00 15.35 C -ATOM 1555 C ASP A 85 16.005 12.903 2.931 1.00 17.92 C -ATOM 1556 O ASP A 85 16.860 12.990 2.035 1.00 18.81 O -ATOM 1557 CB ASP A 85 13.989 13.611 1.611 1.00 15.42 C -ATOM 1558 CG ASP A 85 12.681 14.385 1.579 1.00 15.18 C -ATOM 1559 OD1 ASP A 85 11.921 14.328 2.578 1.00 16.68 O -ATOM 1560 OD2 ASP A 85 12.397 15.026 0.556 1.00 15.85 O -ATOM 1561 H ASP A 85 15.062 15.653 2.394 1.00 18.72 H -ATOM 1562 HA ASP A 85 14.174 13.525 3.642 1.00 18.44 H -ATOM 1563 HB2 ASP A 85 14.539 13.926 0.876 1.00 18.53 H -ATOM 1564 HB3 ASP A 85 13.782 12.671 1.491 1.00 18.53 H -ATOM 1565 N GLU A 86 16.116 12.048 3.933 1.00 15.49 N -ATOM 1566 CA GLU A 86 17.368 11.328 4.156 1.00 16.61 C -ATOM 1567 C GLU A 86 17.591 10.273 3.089 1.00 20.09 C -ATOM 1568 O GLU A 86 18.667 10.201 2.476 1.00 21.62 O -ATOM 1569 CB GLU A 86 17.322 10.719 5.549 1.00 18.99 C -ATOM 1570 CG GLU A 86 18.609 10.049 5.965 1.00 18.97 C -ATOM 1571 CD GLU A 86 18.615 9.677 7.419 1.00 22.64 C -ATOM 1572 OE1 GLU A 86 17.555 9.749 8.089 1.00 18.82 O -ATOM 1573 OE2 GLU A 86 19.700 9.331 7.937 1.00 21.71 O -ATOM 1574 H GLU A 86 15.492 11.864 4.495 1.00 18.61 H -ATOM 1575 HA GLU A 86 18.122 11.937 4.108 1.00 19.96 H -ATOM 1576 HB2 GLU A 86 17.134 11.423 6.191 1.00 22.81 H -ATOM 1577 HB3 GLU A 86 16.619 10.052 5.574 1.00 22.81 H -ATOM 1578 HG2 GLU A 86 18.726 9.238 5.446 1.00 22.78 H -ATOM 1579 HG3 GLU A 86 19.349 10.655 5.806 1.00 22.78 H -ATOM 1580 N ASN A 87 16.607 9.427 2.867 1.00 17.08 N -ATOM 1581 CA ASN A 87 16.593 8.487 1.764 1.00 18.40 C -ATOM 1582 C ASN A 87 15.180 7.929 1.664 1.00 20.06 C -ATOM 1583 O ASN A 87 14.331 8.205 2.521 1.00 18.57 O -ATOM 1584 CB ASN A 87 17.621 7.370 1.990 1.00 18.69 C -ATOM 1585 CG ASN A 87 17.299 6.506 3.195 1.00 20.37 C -ATOM 1586 OD1 ASN A 87 16.236 5.884 3.281 1.00 21.34 O -ATOM 1587 ND2 ASN A 87 18.253 6.405 4.108 1.00 21.91 N -ATOM 1588 H ASN A 87 15.905 9.375 3.361 1.00 20.51 H -ATOM 1589 HA ASN A 87 16.806 8.934 0.930 1.00 22.10 H -ATOM 1590 HB2 ASN A 87 17.642 6.797 1.208 1.00 22.45 H -ATOM 1591 HB3 ASN A 87 18.494 7.769 2.133 1.00 22.45 H -ATOM 1592 HD21 ASN A 87 18.126 5.928 4.813 1.00 26.31 H -ATOM 1593 HD22 ASN A 87 19.000 6.817 3.997 1.00 26.31 H -ATOM 1594 N PHE A 88 14.929 7.137 0.620 1.00 17.97 N -ATOM 1595 CA PHE A 88 13.649 6.479 0.404 1.00 16.14 C -ATOM 1596 C PHE A 88 13.793 4.960 0.298 1.00 20.14 C -ATOM 1597 O PHE A 88 13.101 4.306 -0.479 1.00 22.09 O -ATOM 1598 CB PHE A 88 12.923 7.068 -0.793 1.00 18.28 C -ATOM 1599 CG PHE A 88 12.630 8.527 -0.662 1.00 17.92 C -ATOM 1600 CD1 PHE A 88 11.611 8.972 0.172 1.00 17.65 C -ATOM 1601 CD2 PHE A 88 13.379 9.474 -1.341 1.00 19.05 C -ATOM 1602 CE1 PHE A 88 11.344 10.298 0.305 1.00 17.50 C -ATOM 1603 CE2 PHE A 88 13.115 10.823 -1.207 1.00 20.19 C -ATOM 1604 CZ PHE A 88 12.083 11.242 -0.391 1.00 17.68 C -ATOM 1605 H PHE A 88 15.506 6.963 0.007 1.00 21.58 H -ATOM 1606 HA PHE A 88 13.095 6.643 1.184 1.00 19.39 H -ATOM 1607 HB2 PHE A 88 13.473 6.947 -1.582 1.00 21.96 H -ATOM 1608 HB3 PHE A 88 12.077 6.605 -0.903 1.00 21.96 H -ATOM 1609 HD1 PHE A 88 11.104 8.353 0.646 1.00 21.21 H -ATOM 1610 HD2 PHE A 88 14.072 9.196 -1.895 1.00 22.88 H -ATOM 1611 HE1 PHE A 88 10.658 10.575 0.869 1.00 21.02 H -ATOM 1612 HE2 PHE A 88 13.631 11.447 -1.665 1.00 24.26 H -ATOM 1613 HZ PHE A 88 11.885 12.147 -0.309 1.00 21.24 H -ATOM 1614 N AILE A 89 14.669 4.379 1.127 0.45 19.28 N -ATOM 1615 CA AILE A 89 14.893 2.929 1.101 0.45 23.06 C -ATOM 1616 C AILE A 89 13.615 2.185 1.469 0.45 22.06 C -ATOM 1617 O AILE A 89 13.241 1.195 0.828 0.45 23.66 O -ATOM 1618 CB AILE A 89 16.052 2.541 2.042 0.45 25.51 C -ATOM 1619 CG1AILE A 89 17.411 2.715 1.365 0.45 28.74 C -ATOM 1620 CG2AILE A 89 15.947 1.072 2.497 0.45 29.05 C -ATOM 1621 CD1AILE A 89 18.087 3.996 1.673 0.45 42.67 C -ATOM 1622 H AILE A 89 15.142 4.799 1.710 0.45 23.16 H -ATOM 1623 HA AILE A 89 15.140 2.678 0.198 0.45 27.69 H -ATOM 1624 HB AILE A 89 15.980 3.135 2.805 0.45 30.63 H -ATOM 1625 HG12AILE A 89 17.996 1.998 1.655 0.45 34.51 H -ATOM 1626 HG13AILE A 89 17.286 2.673 0.404 0.45 34.51 H -ATOM 1627 HG21AILE A 89 16.692 0.869 3.083 0.45 34.88 H -ATOM 1628 HG22AILE A 89 15.110 0.948 2.971 0.45 34.88 H -ATOM 1629 HG23AILE A 89 15.974 0.497 1.716 0.45 34.88 H -ATOM 1630 HD11AILE A 89 18.958 4.005 1.247 0.45 51.23 H -ATOM 1631 HD12AILE A 89 17.546 4.728 1.335 0.45 51.23 H -ATOM 1632 HD13AILE A 89 18.188 4.077 2.634 0.45 51.23 H -ATOM 1633 N BILE A 89 14.690 4.390 1.101 0.55 19.19 N -ATOM 1634 CA BILE A 89 14.943 2.951 1.032 0.55 23.06 C -ATOM 1635 C BILE A 89 13.680 2.174 1.365 0.55 21.35 C -ATOM 1636 O BILE A 89 13.333 1.195 0.694 0.55 24.15 O -ATOM 1637 CB BILE A 89 16.101 2.568 1.974 0.55 25.42 C -ATOM 1638 CG1BILE A 89 17.389 3.306 1.598 0.55 30.01 C -ATOM 1639 CG2BILE A 89 16.326 1.056 1.955 0.55 27.74 C -ATOM 1640 CD1BILE A 89 17.859 3.071 0.177 0.55 42.85 C -ATOM 1641 H BILE A 89 15.160 4.807 1.687 0.55 23.06 H -ATOM 1642 HA BILE A 89 15.203 2.729 0.124 0.55 27.69 H -ATOM 1643 HB BILE A 89 15.854 2.837 2.872 0.55 30.53 H -ATOM 1644 HG12BILE A 89 17.241 4.259 1.702 0.55 36.04 H -ATOM 1645 HG13BILE A 89 18.098 3.014 2.192 0.55 36.04 H -ATOM 1646 HG21BILE A 89 17.103 0.846 2.496 0.55 33.31 H -ATOM 1647 HG22BILE A 89 15.541 0.616 2.318 0.55 33.31 H -ATOM 1648 HG23BILE A 89 16.473 0.770 1.040 0.55 33.31 H -ATOM 1649 HD11BILE A 89 18.709 3.519 0.048 0.55 51.45 H -ATOM 1650 HD12BILE A 89 17.963 2.117 0.033 0.55 51.45 H -ATOM 1651 HD13BILE A 89 17.199 3.428 -0.437 0.55 51.45 H -ATOM 1652 N ALEU A 90 12.940 2.639 2.523 0.45 19.01 N -ATOM 1653 CA ALEU A 90 11.798 1.932 3.081 0.45 18.02 C -ATOM 1654 C ALEU A 90 10.522 2.438 2.424 0.45 19.47 C -ATOM 1655 O ALEU A 90 10.408 3.619 2.093 0.45 19.95 O -ATOM 1656 CB ALEU A 90 11.743 2.123 4.600 0.45 17.22 C -ATOM 1657 CG ALEU A 90 12.926 1.538 5.385 0.45 23.47 C -ATOM 1658 CD1ALEU A 90 14.214 2.318 5.227 0.45 36.16 C -ATOM 1659 CD2ALEU A 90 12.587 1.496 6.834 0.45 29.46 C -ATOM 1660 H ALEU A 90 13.130 3.367 2.939 0.45 22.83 H -ATOM 1661 HA ALEU A 90 11.871 0.981 2.909 0.45 21.65 H -ATOM 1662 HB2ALEU A 90 11.715 3.074 4.786 0.45 20.69 H -ATOM 1663 HB3ALEU A 90 10.937 1.696 4.931 0.45 20.69 H -ATOM 1664 HG ALEU A 90 13.085 0.650 5.026 0.45 28.18 H -ATOM 1665 HD11ALEU A 90 14.936 1.825 5.647 0.45 43.42 H -ATOM 1666 HD12ALEU A 90 14.398 2.435 4.282 0.45 43.42 H -ATOM 1667 HD13ALEU A 90 14.113 3.184 5.653 0.45 43.42 H -ATOM 1668 HD21ALEU A 90 13.326 1.098 7.320 0.45 35.38 H -ATOM 1669 HD22ALEU A 90 12.432 2.400 7.149 0.45 35.38 H -ATOM 1670 HD23ALEU A 90 11.786 0.962 6.956 0.45 35.38 H -ATOM 1671 N BLEU A 90 12.965 2.601 2.399 0.55 18.92 N -ATOM 1672 CA BLEU A 90 11.831 1.855 2.912 0.55 19.04 C -ATOM 1673 C BLEU A 90 10.532 2.377 2.307 0.55 19.34 C -ATOM 1674 O BLEU A 90 10.423 3.543 1.925 0.55 19.26 O -ATOM 1675 CB BLEU A 90 11.812 1.929 4.437 0.55 19.11 C -ATOM 1676 CG BLEU A 90 13.008 1.275 5.129 0.55 23.51 C -ATOM 1677 CD1BLEU A 90 13.029 1.652 6.598 0.55 38.54 C -ATOM 1678 CD2BLEU A 90 12.962 -0.224 4.944 0.55 23.08 C -ATOM 1679 H BLEU A 90 13.122 3.331 2.824 0.55 22.73 H -ATOM 1680 HA BLEU A 90 11.894 0.920 2.662 0.55 22.87 H -ATOM 1681 HB2BLEU A 90 11.798 2.863 4.698 0.55 22.95 H -ATOM 1682 HB3BLEU A 90 11.011 1.483 4.755 0.55 22.95 H -ATOM 1683 HG BLEU A 90 13.833 1.593 4.731 0.55 28.24 H -ATOM 1684 HD11BLEU A 90 13.799 1.238 7.019 0.55 46.27 H -ATOM 1685 HD12BLEU A 90 13.089 2.617 6.676 0.55 46.27 H -ATOM 1686 HD13BLEU A 90 12.213 1.337 7.017 0.55 46.27 H -ATOM 1687 HD21BLEU A 90 13.683 -0.627 5.453 0.55 27.72 H -ATOM 1688 HD22BLEU A 90 12.108 -0.555 5.261 0.55 27.72 H -ATOM 1689 HD23BLEU A 90 13.068 -0.429 4.002 0.55 27.72 H -ATOM 1690 N ALYS A 91 9.579 1.528 2.206 0.45 19.74 N -ATOM 1691 CA ALYS A 91 8.342 1.812 1.492 0.45 18.70 C -ATOM 1692 C ALYS A 91 7.147 1.695 2.432 0.45 16.93 C -ATOM 1693 O ALYS A 91 7.236 1.151 3.540 0.45 18.57 O -ATOM 1694 CB ALYS A 91 8.163 0.860 0.303 0.45 25.42 C -ATOM 1695 CG ALYS A 91 9.276 0.950 -0.739 0.45 26.11 C -ATOM 1696 CD ALYS A 91 9.021 0.023 -1.927 0.45 35.92 C -ATOM 1697 CE ALYS A 91 10.300 -0.255 -2.717 0.45 57.99 C -ATOM 1698 NZ ALYS A 91 11.130 -1.326 -2.092 0.45 65.60 N -ATOM 1699 H ALYS A 91 9.635 0.712 2.473 0.45 23.71 H -ATOM 1700 HA ALYS A 91 8.374 2.721 1.153 0.45 22.47 H -ATOM 1701 HB2ALYS A 91 8.143 -0.051 0.636 0.45 30.53 H -ATOM 1702 HB3ALYS A 91 7.326 1.071 -0.140 0.45 30.53 H -ATOM 1703 HG2ALYS A 91 9.330 1.860 -1.070 0.45 31.36 H -ATOM 1704 HG3ALYS A 91 10.118 0.695 -0.331 0.45 31.36 H -ATOM 1705 HD2ALYS A 91 8.674 -0.823 -1.604 0.45 43.13 H -ATOM 1706 HD3ALYS A 91 8.379 0.439 -2.525 0.45 43.13 H -ATOM 1707 HE2ALYS A 91 10.064 -0.540 -3.614 0.45 69.61 H -ATOM 1708 HE3ALYS A 91 10.832 0.555 -2.755 0.45 69.61 H -ATOM 1709 HZ1ALYS A 91 11.860 -1.469 -2.581 0.45 78.75 H -ATOM 1710 HZ2ALYS A 91 11.374 -1.083 -1.272 0.45 78.75 H -ATOM 1711 HZ3ALYS A 91 10.663 -2.083 -2.042 0.45 78.75 H -ATOM 1712 N BLYS A 91 9.557 1.482 2.190 0.55 19.87 N -ATOM 1713 CA BLYS A 91 8.321 1.743 1.471 0.55 18.44 C -ATOM 1714 C BLYS A 91 7.139 1.683 2.432 0.55 16.85 C -ATOM 1715 O BLYS A 91 7.233 1.166 3.554 0.55 18.81 O -ATOM 1716 CB BLYS A 91 8.107 0.718 0.354 0.55 25.00 C -ATOM 1717 CG BLYS A 91 9.312 0.519 -0.553 0.55 30.36 C -ATOM 1718 CD BLYS A 91 9.622 1.747 -1.386 0.55 37.52 C -ATOM 1719 CE BLYS A 91 10.858 1.518 -2.252 0.55 53.61 C -ATOM 1720 NZ BLYS A 91 11.034 2.569 -3.290 0.55 72.69 N -ATOM 1721 H BLYS A 91 9.592 0.693 2.531 0.55 23.87 H -ATOM 1722 HA BLYS A 91 8.361 2.630 1.082 0.55 22.15 H -ATOM 1723 HB2BLYS A 91 7.898 -0.140 0.757 0.55 30.02 H -ATOM 1724 HB3BLYS A 91 7.367 1.013 -0.200 0.55 30.02 H -ATOM 1725 HG2BLYS A 91 10.090 0.320 -0.009 0.55 36.46 H -ATOM 1726 HG3BLYS A 91 9.134 -0.218 -1.160 0.55 36.46 H -ATOM 1727 HD2BLYS A 91 8.870 1.943 -1.967 0.55 45.05 H -ATOM 1728 HD3BLYS A 91 9.792 2.501 -0.799 0.55 45.05 H -ATOM 1729 HE2BLYS A 91 11.646 1.521 -1.686 0.55 64.35 H -ATOM 1730 HE3BLYS A 91 10.776 0.663 -2.701 0.55 64.35 H -ATOM 1731 HZ1BLYS A 91 11.753 2.392 -3.784 0.55 87.25 H -ATOM 1732 HZ2BLYS A 91 10.319 2.596 -3.820 0.55 87.25 H -ATOM 1733 HZ3BLYS A 91 11.137 3.364 -2.904 0.55 87.25 H -ATOM 1734 N HIS A 92 6.023 2.230 1.968 1.00 17.40 N -ATOM 1735 CA HIS A 92 4.778 2.231 2.722 1.00 16.30 C -ATOM 1736 C HIS A 92 4.056 0.927 2.418 1.00 19.78 C -ATOM 1737 O HIS A 92 3.203 0.857 1.535 1.00 22.05 O -ATOM 1738 CB HIS A 92 3.923 3.434 2.337 1.00 17.31 C -ATOM 1739 CG HIS A 92 4.564 4.757 2.623 1.00 16.63 C -ATOM 1740 ND1 HIS A 92 5.477 5.337 1.766 1.00 15.41 N -ATOM 1741 CD2 HIS A 92 4.396 5.629 3.649 1.00 15.86 C -ATOM 1742 CE1 HIS A 92 5.873 6.495 2.278 1.00 15.61 C -ATOM 1743 NE2 HIS A 92 5.213 6.704 3.405 1.00 15.47 N -ATOM 1744 HA HIS A 92 4.973 2.275 3.671 1.00 19.58 H -ATOM 1745 HB2 HIS A 92 3.742 3.394 1.385 1.00 20.79 H -ATOM 1746 HB3 HIS A 92 3.091 3.395 2.835 1.00 20.79 H -ATOM 1747 HD2 HIS A 92 3.832 5.519 4.380 1.00 19.06 H -ATOM 1748 HE1 HIS A 92 6.508 7.065 1.907 1.00 18.75 H -ATOM 1749 H AHIS A 92 5.956 2.608 1.199 0.45 20.90 H -ATOM 1750 H BHIS A 92 5.961 2.615 1.202 0.55 20.90 H -ATOM 1751 N THR A 93 4.371 -0.108 3.191 1.00 19.02 N -ATOM 1752 CA THR A 93 3.949 -1.462 2.825 1.00 22.06 C -ATOM 1753 C THR A 93 2.634 -1.900 3.452 1.00 25.16 C -ATOM 1754 O THR A 93 2.071 -2.919 3.027 1.00 28.50 O -ATOM 1755 CB THR A 93 5.049 -2.446 3.236 1.00 22.99 C -ATOM 1756 OG1 THR A 93 5.375 -2.241 4.612 1.00 27.33 O -ATOM 1757 CG2 THR A 93 6.293 -2.243 2.371 1.00 28.76 C -ATOM 1758 H THR A 93 4.820 -0.056 3.922 1.00 22.85 H -ATOM 1759 HA THR A 93 3.823 -1.497 1.864 1.00 26.50 H -ATOM 1760 HB THR A 93 4.741 -3.357 3.113 1.00 27.61 H -ATOM 1761 HG1 THR A 93 6.121 -2.588 4.785 1.00 32.82 H -ATOM 1762 HG21 THR A 93 6.996 -2.849 2.653 1.00 34.53 H -ATOM 1763 HG22 THR A 93 6.082 -2.418 1.440 1.00 34.53 H -ATOM 1764 HG23 THR A 93 6.612 -1.331 2.455 1.00 34.53 H -ATOM 1765 N GLY A 94 2.107 -1.177 4.431 1.00 22.97 N -ATOM 1766 CA GLY A 94 0.851 -1.550 5.027 1.00 23.51 C -ATOM 1767 C GLY A 94 0.607 -0.826 6.334 1.00 21.94 C -ATOM 1768 O GLY A 94 1.335 0.108 6.705 1.00 20.69 O -ATOM 1769 H GLY A 94 2.464 -0.468 4.762 1.00 27.59 H -ATOM 1770 HA2 GLY A 94 0.128 -1.336 4.417 1.00 28.24 H -ATOM 1771 HA3 GLY A 94 0.847 -2.505 5.199 1.00 28.24 H -ATOM 1772 N PRO A 95 -0.403 -1.268 7.083 1.00 19.78 N -ATOM 1773 CA PRO A 95 -0.717 -0.620 8.357 1.00 20.23 C -ATOM 1774 C PRO A 95 0.462 -0.695 9.305 1.00 21.94 C -ATOM 1775 O PRO A 95 1.230 -1.661 9.317 1.00 23.16 O -ATOM 1776 CB PRO A 95 -1.905 -1.429 8.891 1.00 22.81 C -ATOM 1777 CG PRO A 95 -2.495 -2.100 7.672 1.00 28.81 C -ATOM 1778 CD PRO A 95 -1.345 -2.359 6.758 1.00 25.54 C -ATOM 1779 HA PRO A 95 -0.983 0.303 8.222 1.00 24.30 H -ATOM 1780 HB2 PRO A 95 -1.597 -2.086 9.534 1.00 27.39 H -ATOM 1781 HB3 PRO A 95 -2.550 -0.835 9.306 1.00 27.39 H -ATOM 1782 HG2 PRO A 95 -2.923 -2.931 7.930 1.00 34.60 H -ATOM 1783 HG3 PRO A 95 -3.140 -1.509 7.253 1.00 34.60 H -ATOM 1784 HD2 PRO A 95 -0.947 -3.225 6.941 1.00 30.67 H -ATOM 1785 HD3 PRO A 95 -1.623 -2.311 5.830 1.00 30.67 H -ATOM 1786 N GLY A 96 0.618 0.360 10.097 1.00 19.02 N -ATOM 1787 CA GLY A 96 1.620 0.413 11.134 1.00 18.31 C -ATOM 1788 C GLY A 96 2.898 1.137 10.752 1.00 16.23 C -ATOM 1789 O GLY A 96 3.727 1.380 11.614 1.00 17.69 O -ATOM 1790 H GLY A 96 0.139 1.072 10.046 1.00 22.84 H -ATOM 1791 HA2 GLY A 96 1.245 0.864 11.906 1.00 21.99 H -ATOM 1792 HA3 GLY A 96 1.857 -0.494 11.384 1.00 21.99 H -ATOM 1793 N AILE A 97 3.060 1.483 9.476 0.65 15.78 N -ATOM 1794 CA AILE A 97 4.227 2.221 9.018 0.65 15.15 C -ATOM 1795 C AILE A 97 4.222 3.631 9.590 0.65 14.61 C -ATOM 1796 O AILE A 97 3.180 4.291 9.656 0.65 15.31 O -ATOM 1797 CB AILE A 97 4.207 2.241 7.482 0.65 14.95 C -ATOM 1798 CG1AILE A 97 4.633 0.865 6.946 0.65 20.26 C -ATOM 1799 CG2AILE A 97 5.064 3.370 6.914 0.65 15.52 C -ATOM 1800 CD1AILE A 97 6.074 0.523 7.171 0.65 20.81 C -ATOM 1801 H AILE A 97 2.500 1.299 8.850 0.65 18.97 H -ATOM 1802 HA AILE A 97 5.038 1.790 9.332 0.65 18.20 H -ATOM 1803 HB AILE A 97 3.300 2.421 7.188 0.65 17.97 H -ATOM 1804 HG12AILE A 97 4.100 0.184 7.385 0.65 24.33 H -ATOM 1805 HG13AILE A 97 4.474 0.844 5.989 0.65 24.33 H -ATOM 1806 HG21AILE A 97 5.182 3.228 5.962 0.65 18.65 H -ATOM 1807 HG22AILE A 97 4.616 4.216 7.070 0.65 18.65 H -ATOM 1808 HG23AILE A 97 5.926 3.366 7.359 0.65 18.65 H -ATOM 1809 HD11AILE A 97 6.257 -0.346 6.780 0.65 25.00 H -ATOM 1810 HD12AILE A 97 6.628 1.199 6.750 0.65 25.00 H -ATOM 1811 HD13AILE A 97 6.247 0.500 8.125 0.65 25.00 H -ATOM 1812 N BILE A 97 3.048 1.547 9.502 0.35 15.90 N -ATOM 1813 CA BILE A 97 4.263 2.229 9.067 0.35 15.05 C -ATOM 1814 C BILE A 97 4.230 3.689 9.510 0.35 14.47 C -ATOM 1815 O BILE A 97 3.231 4.391 9.306 0.35 14.89 O -ATOM 1816 CB BILE A 97 4.410 2.123 7.543 0.35 15.90 C -ATOM 1817 CG1BILE A 97 4.500 0.652 7.120 0.35 19.27 C -ATOM 1818 CG2BILE A 97 5.612 2.893 7.051 0.35 19.78 C -ATOM 1819 CD1BILE A 97 5.701 -0.081 7.648 0.35 20.56 C -ATOM 1820 H BILE A 97 2.461 1.444 8.882 0.35 19.10 H -ATOM 1821 HA BILE A 97 5.027 1.810 9.493 0.35 18.09 H -ATOM 1822 HB BILE A 97 3.620 2.517 7.141 0.35 19.10 H -ATOM 1823 HG12BILE A 97 3.711 0.189 7.441 0.35 23.15 H -ATOM 1824 HG13BILE A 97 4.537 0.611 6.151 0.35 23.15 H -ATOM 1825 HG21BILE A 97 5.746 2.702 6.109 0.35 23.76 H -ATOM 1826 HG22BILE A 97 5.453 3.841 7.177 0.35 23.76 H -ATOM 1827 HG23BILE A 97 6.392 2.619 7.558 0.35 23.76 H -ATOM 1828 HD11BILE A 97 5.689 -0.991 7.314 0.35 24.69 H -ATOM 1829 HD12BILE A 97 6.505 0.371 7.347 0.35 24.69 H -ATOM 1830 HD13BILE A 97 5.668 -0.085 8.618 0.35 24.69 H -ATOM 1831 N ALEU A 98 5.404 4.102 9.980 0.65 13.85 N -ATOM 1832 CA ALEU A 98 5.620 5.435 10.529 0.65 13.81 C -ATOM 1833 C ALEU A 98 6.428 6.233 9.508 0.65 13.78 C -ATOM 1834 O ALEU A 98 7.553 5.858 9.142 0.65 13.41 O -ATOM 1835 CB ALEU A 98 6.342 5.316 11.869 0.65 18.81 C -ATOM 1836 CG ALEU A 98 6.633 6.576 12.661 0.65 18.63 C -ATOM 1837 CD1ALEU A 98 5.379 7.309 13.058 0.65 21.75 C -ATOM 1838 CD2ALEU A 98 7.420 6.195 13.905 0.65 17.30 C -ATOM 1839 H ALEU A 98 6.130 3.644 9.933 0.65 16.64 H -ATOM 1840 HA ALEU A 98 4.785 5.906 10.676 0.65 16.60 H -ATOM 1841 HB2ALEU A 98 5.800 4.751 12.442 0.65 22.60 H -ATOM 1842 HB3ALEU A 98 7.199 4.893 11.701 0.65 22.60 H -ATOM 1843 HG ALEU A 98 7.145 7.183 12.103 0.65 22.37 H -ATOM 1844 HD11ALEU A 98 5.622 8.100 13.564 0.65 26.12 H -ATOM 1845 HD12ALEU A 98 4.896 7.566 12.257 0.65 26.12 H -ATOM 1846 HD13ALEU A 98 4.829 6.724 13.602 0.65 26.12 H -ATOM 1847 HD21ALEU A 98 7.659 7.002 14.388 0.65 20.78 H -ATOM 1848 HD22ALEU A 98 6.870 5.625 14.465 0.65 20.78 H -ATOM 1849 HD23ALEU A 98 8.223 5.720 13.638 0.65 20.78 H -ATOM 1850 N BLEU A 98 5.335 4.149 10.103 0.35 12.90 N -ATOM 1851 CA BLEU A 98 5.566 5.563 10.368 0.35 14.45 C -ATOM 1852 C BLEU A 98 6.281 6.214 9.191 0.35 16.15 C -ATOM 1853 O BLEU A 98 7.231 5.650 8.634 0.35 15.03 O -ATOM 1854 CB BLEU A 98 6.457 5.725 11.599 0.35 13.72 C -ATOM 1855 CG BLEU A 98 5.875 5.419 12.975 0.35 20.35 C -ATOM 1856 CD1BLEU A 98 6.993 5.337 13.998 0.35 26.51 C -ATOM 1857 CD2BLEU A 98 4.872 6.465 13.396 0.35 20.61 C -ATOM 1858 H BLEU A 98 5.981 3.645 10.366 0.35 15.51 H -ATOM 1859 HA BLEU A 98 4.712 6.000 10.512 0.35 17.36 H -ATOM 1860 HB2BLEU A 98 7.219 5.136 11.486 0.35 16.49 H -ATOM 1861 HB3BLEU A 98 6.752 6.649 11.625 0.35 16.49 H -ATOM 1862 HG BLEU A 98 5.413 4.567 12.932 0.35 24.45 H -ATOM 1863 HD11BLEU A 98 6.605 5.232 14.881 0.35 31.84 H -ATOM 1864 HD12BLEU A 98 7.556 4.575 13.791 0.35 31.84 H -ATOM 1865 HD13BLEU A 98 7.515 6.154 13.961 0.35 31.84 H -ATOM 1866 HD21BLEU A 98 4.466 6.193 14.234 0.35 24.76 H -ATOM 1867 HD22BLEU A 98 5.328 7.313 13.509 0.35 24.76 H -ATOM 1868 HD23BLEU A 98 4.191 6.544 12.709 0.35 24.76 H -ATOM 1869 N ASER A 99 5.856 7.335 9.042 0.65 13.76 N -ATOM 1870 CA ASER A 99 6.410 8.089 7.928 0.65 15.28 C -ATOM 1871 C ASER A 99 6.361 9.579 8.245 0.65 13.01 C -ATOM 1872 O ASER A 99 5.590 10.028 9.089 0.65 13.63 O -ATOM 1873 CB ASER A 99 5.630 7.758 6.656 0.65 14.40 C -ATOM 1874 OG ASER A 99 6.262 8.346 5.533 0.65 14.16 O -ATOM 1875 H ASER A 99 5.131 7.672 9.361 0.65 16.53 H -ATOM 1876 HA ASER A 99 7.345 7.872 7.791 0.65 18.36 H -ATOM 1877 HB2ASER A 99 5.603 6.796 6.539 0.65 17.31 H -ATOM 1878 HB3ASER A 99 4.728 8.108 6.734 0.65 17.31 H -ATOM 1879 HG ASER A 99 5.684 8.639 4.999 0.65 17.01 H -ATOM 1880 N BSER A 99 5.843 7.417 8.825 0.35 13.28 N -ATOM 1881 CA BSER A 99 6.567 8.201 7.833 0.35 14.96 C -ATOM 1882 C BSER A 99 6.346 9.690 8.073 0.35 14.28 C -ATOM 1883 O BSER A 99 5.317 10.112 8.614 0.35 12.20 O -ATOM 1884 CB BSER A 99 6.179 7.801 6.407 0.35 19.48 C -ATOM 1885 OG BSER A 99 4.918 8.329 6.036 0.35 24.22 O -ATOM 1886 H BSER A 99 5.136 7.795 9.135 0.35 15.96 H -ATOM 1887 HA BSER A 99 7.518 8.044 7.937 0.35 17.97 H -ATOM 1888 HB2BSER A 99 6.851 8.139 5.794 0.35 23.40 H -ATOM 1889 HB3BSER A 99 6.139 6.833 6.354 0.35 23.40 H -ATOM 1890 HG BSER A 99 4.457 8.481 6.721 0.35 29.09 H -ATOM 1891 N AMET A 100 7.192 10.351 7.546 0.65 13.44 N -ATOM 1892 CA AMET A 100 7.268 11.789 7.783 0.65 12.69 C -ATOM 1893 C AMET A 100 6.253 12.539 6.930 0.65 13.20 C -ATOM 1894 O AMET A 100 6.136 12.298 5.726 0.65 15.24 O -ATOM 1895 CB AMET A 100 8.660 12.324 7.459 0.65 13.53 C -ATOM 1896 CG AMET A 100 9.748 11.929 8.426 0.65 13.33 C -ATOM 1897 SD AMET A 100 9.434 12.381 10.142 0.65 15.29 S -ATOM 1898 CE AMET A 100 9.613 14.159 10.057 0.65 17.36 C -ATOM 1899 H AMET A 100 7.720 10.065 6.930 0.65 16.15 H -ATOM 1900 HA AMET A 100 7.077 11.938 8.722 0.65 15.25 H -ATOM 1901 HB2AMET A 100 8.917 11.993 6.584 0.65 16.26 H -ATOM 1902 HB3AMET A 100 8.619 13.293 7.449 0.65 16.26 H -ATOM 1903 HG2AMET A 100 9.854 10.966 8.394 0.65 16.01 H -ATOM 1904 HG3AMET A 100 10.572 12.364 8.156 0.65 16.01 H -ATOM 1905 HE1AMET A 100 9.491 14.531 10.945 0.65 20.86 H -ATOM 1906 HE2AMET A 100 10.501 14.372 9.729 0.65 20.86 H -ATOM 1907 HE3AMET A 100 8.943 14.516 9.454 0.65 20.86 H -ATOM 1908 N BMET A 100 7.335 10.482 7.659 0.35 12.75 N -ATOM 1909 CA BMET A 100 7.334 11.910 7.932 0.35 12.87 C -ATOM 1910 C BMET A 100 6.432 12.676 6.972 0.35 13.29 C -ATOM 1911 O BMET A 100 6.554 12.565 5.745 0.35 11.75 O -ATOM 1912 CB BMET A 100 8.748 12.466 7.827 0.35 13.14 C -ATOM 1913 CG BMET A 100 9.679 12.019 8.931 0.35 16.48 C -ATOM 1914 SD BMET A 100 9.150 12.456 10.592 0.35 15.09 S -ATOM 1915 CE BMET A 100 10.712 12.243 11.474 0.35 39.31 C -ATOM 1916 H BMET A 100 8.021 10.210 7.216 0.35 15.32 H -ATOM 1917 HA BMET A 100 6.998 12.032 8.834 0.35 15.46 H -ATOM 1918 HB2BMET A 100 9.132 12.178 6.985 0.35 15.80 H -ATOM 1919 HB3BMET A 100 8.703 13.435 7.857 0.35 15.80 H -ATOM 1920 HG2BMET A 100 9.757 11.053 8.895 0.35 19.80 H -ATOM 1921 HG3BMET A 100 10.547 12.427 8.785 0.35 19.80 H -ATOM 1922 HE1BMET A 100 10.597 12.528 12.394 0.35 47.19 H -ATOM 1923 HE2BMET A 100 10.966 11.307 11.446 0.35 47.19 H -ATOM 1924 HE3BMET A 100 11.394 12.783 11.043 0.35 47.19 H -ATOM 1925 N ALA A 101 5.546 13.485 7.548 1.00 13.59 N -ATOM 1926 CA ALA A 101 4.775 14.442 6.783 1.00 13.28 C -ATOM 1927 C ALA A 101 5.710 15.517 6.265 1.00 14.01 C -ATOM 1928 O ALA A 101 6.782 15.744 6.815 1.00 16.53 O -ATOM 1929 CB ALA A 101 3.704 15.077 7.686 1.00 16.29 C -ATOM 1930 HA ALA A 101 4.329 14.015 6.035 1.00 15.97 H -ATOM 1931 HB1 ALA A 101 3.184 15.707 7.163 1.00 19.58 H -ATOM 1932 HB2 ALA A 101 3.127 14.378 8.031 1.00 19.58 H -ATOM 1933 HB3 ALA A 101 4.142 15.537 8.419 1.00 19.58 H -ATOM 1934 H AALA A 101 5.501 13.586 8.400 0.65 16.33 H -ATOM 1935 H BALA A 101 5.374 13.494 8.390 0.35 16.33 H -ATOM 1936 N ASN A 102 5.321 16.158 5.176 1.00 15.39 N -ATOM 1937 CA ASN A 102 6.150 17.223 4.636 1.00 15.86 C -ATOM 1938 C ASN A 102 5.290 18.114 3.763 1.00 18.92 C -ATOM 1939 O ASN A 102 4.116 17.827 3.513 1.00 20.96 O -ATOM 1940 CB ASN A 102 7.387 16.645 3.917 1.00 17.27 C -ATOM 1941 CG ASN A 102 7.033 15.873 2.674 1.00 16.41 C -ATOM 1942 OD1 ASN A 102 6.276 16.340 1.831 1.00 18.67 O -ATOM 1943 ND2 ASN A 102 7.581 14.681 2.542 1.00 17.70 N -ATOM 1944 H ASN A 102 4.597 15.999 4.740 1.00 18.49 H -ATOM 1945 HA ASN A 102 6.477 17.785 5.356 1.00 19.06 H -ATOM 1946 HB2 ASN A 102 7.972 17.374 3.661 1.00 20.75 H -ATOM 1947 HB3 ASN A 102 7.850 16.043 4.521 1.00 20.75 H -ATOM 1948 HD21 ASN A 102 7.409 14.203 1.848 1.00 21.26 H -ATOM 1949 HD22 ASN A 102 8.111 14.382 3.150 1.00 21.26 H -ATOM 1950 N ALA A 103 5.921 19.175 3.253 1.00 17.83 N -ATOM 1951 CA ALA A 103 5.258 20.180 2.433 1.00 22.30 C -ATOM 1952 C ALA A 103 6.038 20.415 1.161 1.00 23.98 C -ATOM 1953 O ALA A 103 6.046 21.530 0.634 1.00 26.32 O -ATOM 1954 CB ALA A 103 5.130 21.502 3.182 1.00 26.72 C -ATOM 1955 H ALA A 103 6.757 19.335 3.374 1.00 21.42 H -ATOM 1956 HA ALA A 103 4.369 19.859 2.215 1.00 26.78 H -ATOM 1957 HB1 ALA A 103 4.721 22.158 2.596 1.00 32.09 H -ATOM 1958 HB2 ALA A 103 4.575 21.368 3.966 1.00 32.09 H -ATOM 1959 HB3 ALA A 103 6.013 21.801 3.448 1.00 32.09 H -ATOM 1960 N GLY A 104 6.681 19.379 0.650 1.00 19.59 N -ATOM 1961 CA GLY A 104 7.561 19.521 -0.488 1.00 19.42 C -ATOM 1962 C GLY A 104 8.873 18.807 -0.227 1.00 17.95 C -ATOM 1963 O GLY A 104 9.125 18.326 0.882 1.00 18.24 O -ATOM 1964 H GLY A 104 6.623 18.575 0.950 1.00 23.53 H -ATOM 1965 HA2 GLY A 104 7.145 19.138 -1.276 1.00 23.33 H -ATOM 1966 HA3 GLY A 104 7.741 20.460 -0.650 1.00 23.33 H -ATOM 1967 N PRO A 105 9.734 18.733 -1.236 1.00 15.88 N -ATOM 1968 CA PRO A 105 11.044 18.113 -1.028 1.00 16.44 C -ATOM 1969 C PRO A 105 11.824 18.785 0.090 1.00 17.20 C -ATOM 1970 O PRO A 105 11.866 20.011 0.199 1.00 18.80 O -ATOM 1971 CB PRO A 105 11.766 18.301 -2.375 1.00 18.80 C -ATOM 1972 CG PRO A 105 10.782 18.866 -3.306 1.00 28.24 C -ATOM 1973 CD PRO A 105 9.577 19.344 -2.571 1.00 20.38 C -ATOM 1974 HA PRO A 105 10.928 17.170 -0.836 1.00 19.75 H -ATOM 1975 HB2 PRO A 105 12.513 18.908 -2.259 1.00 22.58 H -ATOM 1976 HB3 PRO A 105 12.082 17.441 -2.694 1.00 22.58 H -ATOM 1977 HG2 PRO A 105 11.194 19.609 -3.774 1.00 33.91 H -ATOM 1978 HG3 PRO A 105 10.526 18.177 -3.938 1.00 33.91 H -ATOM 1979 HD2 PRO A 105 9.571 20.312 -2.510 1.00 24.48 H -ATOM 1980 HD3 PRO A 105 8.765 19.033 -3.001 1.00 24.48 H -ATOM 1981 N ASN A 106 12.466 17.973 0.926 1.00 15.31 N -ATOM 1982 CA ASN A 106 13.393 18.461 1.941 1.00 16.87 C -ATOM 1983 C ASN A 106 12.770 19.458 2.917 1.00 18.32 C -ATOM 1984 O ASN A 106 13.354 20.497 3.244 1.00 18.77 O -ATOM 1985 CB ASN A 106 14.643 19.029 1.258 1.00 16.27 C -ATOM 1986 CG ASN A 106 15.284 18.001 0.349 1.00 15.80 C -ATOM 1987 OD1 ASN A 106 15.609 16.899 0.775 1.00 17.42 O -ATOM 1988 ND2 ASN A 106 15.423 18.344 -0.934 1.00 18.26 N -ATOM 1989 H ASN A 106 12.378 17.118 0.924 1.00 18.40 H -ATOM 1990 HA ASN A 106 13.646 17.709 2.499 1.00 20.27 H -ATOM 1991 HB2 ASN A 106 14.395 19.800 0.723 1.00 19.55 H -ATOM 1992 HB3 ASN A 106 15.289 19.287 1.933 1.00 19.55 H -ATOM 1993 HD21 ASN A 106 15.781 17.794 -1.489 1.00 21.94 H -ATOM 1994 HD22 ASN A 106 15.154 19.115 -1.204 1.00 21.94 H -ATOM 1995 N THR A 107 11.581 19.112 3.433 1.00 16.27 N -ATOM 1996 CA THR A 107 10.852 19.969 4.364 1.00 17.29 C -ATOM 1997 C THR A 107 10.356 19.191 5.565 1.00 17.33 C -ATOM 1998 O THR A 107 9.302 19.490 6.146 1.00 20.04 O -ATOM 1999 CB THR A 107 9.674 20.684 3.701 1.00 16.50 C -ATOM 2000 OG1 THR A 107 8.737 19.739 3.198 1.00 18.47 O -ATOM 2001 CG2 THR A 107 10.141 21.597 2.583 1.00 20.76 C -ATOM 2002 H THR A 107 11.176 18.375 3.253 1.00 19.55 H -ATOM 2003 HA THR A 107 11.484 20.640 4.668 1.00 20.78 H -ATOM 2004 HB THR A 107 9.232 21.235 4.366 1.00 19.83 H -ATOM 2005 HG1 THR A 107 9.030 19.393 2.491 1.00 22.19 H -ATOM 2006 HG21 THR A 107 9.389 22.093 2.223 1.00 24.94 H -ATOM 2007 HG22 THR A 107 10.800 22.225 2.921 1.00 24.94 H -ATOM 2008 HG23 THR A 107 10.542 21.073 1.872 1.00 24.94 H -ATOM 2009 N ASN A 108 11.116 18.218 6.015 1.00 16.64 N -ATOM 2010 CA ASN A 108 10.728 17.464 7.196 1.00 16.41 C -ATOM 2011 C ASN A 108 10.885 18.312 8.447 1.00 17.08 C -ATOM 2012 O ASN A 108 11.873 19.022 8.614 1.00 18.70 O -ATOM 2013 CB ASN A 108 11.623 16.236 7.343 1.00 16.53 C -ATOM 2014 CG ASN A 108 11.461 15.289 6.214 1.00 18.62 C -ATOM 2015 OD1 ASN A 108 10.421 14.664 6.055 1.00 17.85 O -ATOM 2016 ND2 ASN A 108 12.456 15.235 5.347 1.00 16.66 N -ATOM 2017 H ASN A 108 11.860 17.971 5.660 1.00 19.99 H -ATOM 2018 HA ASN A 108 9.802 17.190 7.104 1.00 19.71 H -ATOM 2019 HB2 ASN A 108 12.550 16.519 7.370 1.00 19.86 H -ATOM 2020 HB3 ASN A 108 11.394 15.772 8.163 1.00 19.86 H -ATOM 2021 HD21 ASN A 108 12.411 14.702 4.674 1.00 20.01 H -ATOM 2022 HD22 ASN A 108 13.148 15.733 5.455 1.00 20.01 H -ATOM 2023 N GLY A 109 9.930 18.179 9.371 1.00 15.71 N -ATOM 2024 CA GLY A 109 9.967 18.880 10.648 1.00 16.29 C -ATOM 2025 C GLY A 109 9.777 17.912 11.784 1.00 15.76 C -ATOM 2026 O GLY A 109 10.650 17.099 12.091 1.00 17.47 O -ATOM 2027 H GLY A 109 9.237 17.678 9.277 1.00 18.88 H -ATOM 2028 HA2 GLY A 109 10.823 19.324 10.754 1.00 19.57 H -ATOM 2029 HA3 GLY A 109 9.260 19.544 10.680 1.00 19.57 H -ATOM 2030 N SER A 110 8.604 17.978 12.407 1.00 14.38 N -ATOM 2031 CA SER A 110 8.230 17.065 13.474 1.00 14.34 C -ATOM 2032 C SER A 110 6.969 16.266 13.184 1.00 13.69 C -ATOM 2033 O SER A 110 6.667 15.314 13.915 1.00 14.95 O -ATOM 2034 CB SER A 110 8.037 17.833 14.787 1.00 15.92 C -ATOM 2035 OG SER A 110 7.058 18.823 14.628 1.00 15.29 O -ATOM 2036 H SER A 110 7.995 18.558 12.223 1.00 17.27 H -ATOM 2037 HA SER A 110 8.953 16.431 13.603 1.00 17.23 H -ATOM 2038 HB2 SER A 110 7.755 17.215 15.479 1.00 19.13 H -ATOM 2039 HB3 SER A 110 8.875 18.252 15.037 1.00 19.13 H -ATOM 2040 HG SER A 110 6.850 19.144 15.376 1.00 18.38 H -ATOM 2041 N GLN A 111 6.196 16.639 12.190 1.00 13.11 N -ATOM 2042 CA GLN A 111 4.938 15.976 11.897 1.00 12.88 C -ATOM 2043 C GLN A 111 5.179 14.636 11.230 1.00 13.39 C -ATOM 2044 O GLN A 111 6.096 14.477 10.417 1.00 14.24 O -ATOM 2045 CB GLN A 111 4.046 16.837 11.037 1.00 13.89 C -ATOM 2046 CG GLN A 111 3.506 18.072 11.768 1.00 14.57 C -ATOM 2047 CD GLN A 111 2.537 18.808 10.944 1.00 17.22 C -ATOM 2048 OE1 GLN A 111 1.559 18.253 10.461 1.00 18.73 O -ATOM 2049 NE2 GLN A 111 2.806 20.086 10.729 1.00 18.29 N -ATOM 2050 H GLN A 111 6.377 17.288 11.656 1.00 15.75 H -ATOM 2051 HA GLN A 111 4.467 15.818 12.731 1.00 15.48 H -ATOM 2052 HB2 GLN A 111 4.553 17.143 10.269 1.00 16.70 H -ATOM 2053 HB3 GLN A 111 3.287 16.308 10.745 1.00 16.70 H -ATOM 2054 HG2 GLN A 111 3.062 17.793 12.584 1.00 17.51 H -ATOM 2055 HG3 GLN A 111 4.242 18.668 11.978 1.00 17.51 H -ATOM 2056 HE21 GLN A 111 2.273 20.564 10.253 1.00 21.98 H -ATOM 2057 HE22 GLN A 111 3.515 20.439 11.065 1.00 21.98 H -ATOM 2058 N APHE A 112 4.377 13.656 11.623 0.61 13.32 N -ATOM 2059 CA APHE A 112 4.525 12.276 11.188 0.61 13.81 C -ATOM 2060 C APHE A 112 3.134 11.708 11.043 0.61 13.85 C -ATOM 2061 O APHE A 112 2.166 12.244 11.595 0.61 13.66 O -ATOM 2062 CB APHE A 112 5.227 11.450 12.271 0.61 14.41 C -ATOM 2063 CG APHE A 112 4.463 11.434 13.572 0.61 13.42 C -ATOM 2064 CD1APHE A 112 3.431 10.531 13.791 0.61 13.02 C -ATOM 2065 CD2APHE A 112 4.719 12.375 14.541 0.61 14.57 C -ATOM 2066 CE1APHE A 112 2.711 10.555 14.965 0.61 14.70 C -ATOM 2067 CE2APHE A 112 4.007 12.390 15.709 0.61 14.71 C -ATOM 2068 CZ APHE A 112 3.000 11.497 15.906 0.61 14.04 C -ATOM 2069 H APHE A 112 3.716 13.769 12.161 0.61 16.00 H -ATOM 2070 HA APHE A 112 5.017 12.241 10.353 0.61 16.60 H -ATOM 2071 HB2APHE A 112 5.317 10.535 11.963 0.61 17.32 H -ATOM 2072 HB3APHE A 112 6.103 11.831 12.441 0.61 17.32 H -ATOM 2073 HD1APHE A 112 3.223 9.903 13.137 0.61 15.65 H -ATOM 2074 HD2APHE A 112 5.384 13.010 14.401 0.61 17.51 H -ATOM 2075 HE1APHE A 112 2.034 9.935 15.113 0.61 17.66 H -ATOM 2076 HE2APHE A 112 4.211 13.012 16.370 0.61 17.67 H -ATOM 2077 HZ APHE A 112 2.504 11.529 16.692 0.61 16.87 H -ATOM 2078 N BPHE A 112 4.276 13.699 11.503 0.39 12.75 N -ATOM 2079 CA BPHE A 112 4.404 12.346 10.986 0.39 11.30 C -ATOM 2080 C BPHE A 112 3.033 11.743 10.743 0.39 12.00 C -ATOM 2081 O BPHE A 112 2.001 12.247 11.200 0.39 11.20 O -ATOM 2082 CB BPHE A 112 5.238 11.465 11.936 0.39 12.31 C -ATOM 2083 CG BPHE A 112 4.689 11.386 13.342 0.39 12.70 C -ATOM 2084 CD1BPHE A 112 5.037 12.328 14.289 0.39 15.82 C -ATOM 2085 CD2BPHE A 112 3.818 10.377 13.708 0.39 14.24 C -ATOM 2086 CE1BPHE A 112 4.527 12.264 15.569 0.39 16.05 C -ATOM 2087 CE2BPHE A 112 3.312 10.306 14.985 0.39 13.61 C -ATOM 2088 CZ BPHE A 112 3.658 11.258 15.912 0.39 17.29 C -ATOM 2089 H BPHE A 112 3.578 13.825 11.988 0.39 15.32 H -ATOM 2090 HA BPHE A 112 4.850 12.389 10.126 0.39 13.58 H -ATOM 2091 HB2BPHE A 112 5.265 10.563 11.579 0.39 14.80 H -ATOM 2092 HB3BPHE A 112 6.135 11.828 11.990 0.39 14.80 H -ATOM 2093 HD1BPHE A 112 5.623 13.014 14.061 0.39 19.01 H -ATOM 2094 HD2BPHE A 112 3.571 9.736 13.081 0.39 17.11 H -ATOM 2095 HE1BPHE A 112 4.771 12.903 16.200 0.39 19.28 H -ATOM 2096 HE2BPHE A 112 2.737 9.615 15.220 0.39 16.36 H -ATOM 2097 HZ BPHE A 112 3.304 11.222 16.771 0.39 20.77 H -ATOM 2098 N APHE A 113 3.042 10.557 10.392 0.61 12.62 N -ATOM 2099 CA APHE A 113 1.783 9.842 10.336 0.61 12.06 C -ATOM 2100 C APHE A 113 2.006 8.352 10.485 0.61 12.91 C -ATOM 2101 O APHE A 113 3.012 7.795 10.028 0.61 12.73 O -ATOM 2102 CB APHE A 113 0.945 10.150 9.083 0.61 13.67 C -ATOM 2103 CG APHE A 113 1.648 9.897 7.771 0.61 14.25 C -ATOM 2104 CD1APHE A 113 2.437 10.870 7.205 0.61 15.55 C -ATOM 2105 CD2APHE A 113 1.495 8.703 7.085 0.61 16.95 C -ATOM 2106 CE1APHE A 113 3.069 10.671 6.003 0.61 16.20 C -ATOM 2107 CE2APHE A 113 2.125 8.498 5.869 0.61 19.33 C -ATOM 2108 CZ APHE A 113 2.918 9.481 5.334 0.61 15.91 C -ATOM 2109 H APHE A 113 3.692 10.175 9.979 0.61 15.17 H -ATOM 2110 HA APHE A 113 1.254 10.131 11.095 0.61 14.50 H -ATOM 2111 HB2APHE A 113 0.150 9.593 9.100 0.61 16.43 H -ATOM 2112 HB3APHE A 113 0.694 11.086 9.103 0.61 16.43 H -ATOM 2113 HD1APHE A 113 2.545 11.682 7.646 0.61 18.68 H -ATOM 2114 HD2APHE A 113 0.964 8.030 7.447 0.61 20.37 H -ATOM 2115 HE1APHE A 113 3.601 11.343 5.641 0.61 19.47 H -ATOM 2116 HE2APHE A 113 2.011 7.694 5.415 0.61 23.22 H -ATOM 2117 HZ APHE A 113 3.350 9.343 4.523 0.61 19.11 H -ATOM 2118 N BPHE A 113 3.049 10.648 9.999 0.39 13.24 N -ATOM 2119 CA BPHE A 113 1.903 9.800 9.761 0.39 12.54 C -ATOM 2120 C BPHE A 113 2.123 8.463 10.460 0.39 12.21 C -ATOM 2121 O BPHE A 113 3.252 7.962 10.536 0.39 12.97 O -ATOM 2122 CB BPHE A 113 1.769 9.494 8.263 0.39 17.37 C -ATOM 2123 CG BPHE A 113 1.702 10.714 7.353 0.39 16.36 C -ATOM 2124 CD1BPHE A 113 1.100 11.905 7.742 0.39 21.55 C -ATOM 2125 CD2BPHE A 113 2.218 10.643 6.071 0.39 17.72 C -ATOM 2126 CE1BPHE A 113 1.017 12.980 6.875 0.39 21.74 C -ATOM 2127 CE2BPHE A 113 2.148 11.724 5.218 0.39 19.05 C -ATOM 2128 CZ BPHE A 113 1.538 12.889 5.624 0.39 23.41 C -ATOM 2129 H BPHE A 113 3.755 10.363 9.599 0.39 15.91 H -ATOM 2130 HA BPHE A 113 1.101 10.235 10.091 0.39 15.07 H -ATOM 2131 HB2BPHE A 113 2.537 8.969 7.988 0.39 20.87 H -ATOM 2132 HB3BPHE A 113 0.954 8.986 8.126 0.39 20.87 H -ATOM 2133 HD1BPHE A 113 0.748 11.980 8.600 0.39 25.88 H -ATOM 2134 HD2BPHE A 113 2.618 9.855 5.781 0.39 21.29 H -ATOM 2135 HE1BPHE A 113 0.604 13.767 7.150 0.39 26.12 H -ATOM 2136 HE2BPHE A 113 2.515 11.666 4.365 0.39 22.88 H -ATOM 2137 HZ BPHE A 113 1.482 13.613 5.043 0.39 28.12 H -ATOM 2138 N AILE A 114 1.034 7.730 11.146 0.61 13.42 N -ATOM 2139 CA AILE A 114 0.946 6.285 11.301 0.61 13.44 C -ATOM 2140 C AILE A 114 -0.056 5.801 10.260 0.61 13.89 C -ATOM 2141 O AILE A 114 -1.243 6.131 10.337 0.61 14.51 O -ATOM 2142 CB AILE A 114 0.472 5.916 12.712 0.61 14.84 C -ATOM 2143 CG1AILE A 114 1.166 6.765 13.782 0.61 15.18 C -ATOM 2144 CG2AILE A 114 0.694 4.421 12.935 0.61 18.59 C -ATOM 2145 CD1AILE A 114 0.501 6.637 15.147 0.61 17.81 C -ATOM 2146 H AILE A 114 0.386 8.144 11.531 0.61 16.12 H -ATOM 2147 HA AILE A 114 1.810 5.875 11.138 0.61 16.15 H -ATOM 2148 HB AILE A 114 -0.475 6.109 12.789 0.61 17.83 H -ATOM 2149 HG12AILE A 114 2.088 6.477 13.867 0.61 18.24 H -ATOM 2150 HG13AILE A 114 1.133 7.697 13.516 0.61 18.24 H -ATOM 2151 HG21AILE A 114 0.416 4.191 13.835 0.61 22.34 H -ATOM 2152 HG22AILE A 114 0.169 3.924 12.288 0.61 22.34 H -ATOM 2153 HG23AILE A 114 1.636 4.221 12.819 0.61 22.34 H -ATOM 2154 HD11AILE A 114 1.011 7.146 15.796 0.61 21.39 H -ATOM 2155 HD12AILE A 114 -0.404 6.983 15.092 0.61 21.39 H -ATOM 2156 HD13AILE A 114 0.482 5.701 15.403 0.61 21.39 H -ATOM 2157 N BILE A 114 1.029 7.879 10.953 0.39 12.50 N -ATOM 2158 CA BILE A 114 0.935 6.438 11.175 0.39 14.56 C -ATOM 2159 C BILE A 114 -0.050 5.925 10.143 0.39 14.49 C -ATOM 2160 O BILE A 114 -1.217 6.338 10.134 0.39 14.54 O -ATOM 2161 CB BILE A 114 0.453 6.078 12.587 0.39 14.54 C -ATOM 2162 CG1BILE A 114 1.494 6.472 13.627 0.39 17.80 C -ATOM 2163 CG2BILE A 114 0.161 4.561 12.672 0.39 15.56 C -ATOM 2164 CD1BILE A 114 1.011 6.362 15.061 0.39 21.09 C -ATOM 2165 H BILE A 114 0.316 8.307 11.170 0.39 15.03 H -ATOM 2166 HA BILE A 114 1.808 6.034 11.054 0.39 17.50 H -ATOM 2167 HB BILE A 114 -0.363 6.571 12.769 0.39 17.47 H -ATOM 2168 HG12BILE A 114 2.265 5.892 13.531 0.39 21.38 H -ATOM 2169 HG13BILE A 114 1.752 7.395 13.474 0.39 21.38 H -ATOM 2170 HG21BILE A 114 -0.067 4.334 13.587 0.39 18.70 H -ATOM 2171 HG22BILE A 114 -0.580 4.348 12.084 0.39 18.70 H -ATOM 2172 HG23BILE A 114 0.952 4.071 12.398 0.39 18.70 H -ATOM 2173 HD11BILE A 114 1.711 6.677 15.655 0.39 25.33 H -ATOM 2174 HD12BILE A 114 0.216 6.906 15.170 0.39 25.33 H -ATOM 2175 HD13BILE A 114 0.806 5.434 15.255 0.39 25.33 H -ATOM 2176 N CYS A 115 0.406 5.051 9.261 1.00 15.09 N -ATOM 2177 CA CYS A 115 -0.489 4.513 8.253 1.00 15.66 C -ATOM 2178 C CYS A 115 -1.366 3.423 8.831 1.00 16.53 C -ATOM 2179 O CYS A 115 -0.912 2.598 9.631 1.00 18.55 O -ATOM 2180 CB CYS A 115 0.339 3.899 7.134 1.00 17.06 C -ATOM 2181 SG CYS A 115 1.369 5.078 6.297 1.00 22.00 S -ATOM 2182 HA CYS A 115 -1.054 5.224 7.914 1.00 18.82 H -ATOM 2183 HB2 CYS A 115 0.914 3.213 7.509 1.00 20.49 H -ATOM 2184 HB3 CYS A 115 -0.260 3.507 6.479 1.00 20.49 H -ATOM 2185 HG CYS A 115 0.720 6.055 6.046 1.00 26.42 H -ATOM 2186 H ACYS A 115 1.233 4.841 9.148 0.61 18.14 H -ATOM 2187 H BCYS A 115 1.215 4.759 9.225 0.39 18.14 H -ATOM 2188 N THR A 116 -2.629 3.420 8.417 1.00 16.25 N -ATOM 2189 CA THR A 116 -3.566 2.372 8.806 1.00 17.94 C -ATOM 2190 C THR A 116 -4.002 1.593 7.587 1.00 21.49 C -ATOM 2191 O THR A 116 -4.935 0.791 7.670 1.00 26.55 O -ATOM 2192 CB THR A 116 -4.760 2.954 9.558 1.00 17.81 C -ATOM 2193 OG1 THR A 116 -5.405 3.958 8.775 1.00 21.93 O -ATOM 2194 CG2 THR A 116 -4.276 3.575 10.888 1.00 21.34 C -ATOM 2195 H THR A 116 -2.970 4.020 7.904 1.00 19.52 H -ATOM 2196 HA THR A 116 -3.147 1.761 9.431 1.00 21.55 H -ATOM 2197 HB THR A 116 -5.401 2.250 9.743 1.00 21.40 H -ATOM 2198 HG1 THR A 116 -6.057 4.277 9.197 1.00 26.34 H -ATOM 2199 HG21 THR A 116 -5.034 3.902 11.396 1.00 25.63 H -ATOM 2200 HG22 THR A 116 -3.807 2.909 11.414 1.00 25.63 H -ATOM 2201 HG23 THR A 116 -3.675 4.315 10.708 1.00 25.63 H -ATOM 2202 N ALA A 117 -3.325 1.802 6.468 1.00 19.82 N -ATOM 2203 CA ALA A 117 -3.571 1.099 5.218 1.00 20.42 C -ATOM 2204 C ALA A 117 -2.259 1.134 4.461 1.00 21.97 C -ATOM 2205 O ALA A 117 -1.345 1.884 4.815 1.00 19.94 O -ATOM 2206 CB ALA A 117 -4.675 1.779 4.413 1.00 25.52 C -ATOM 2207 H ALA A 117 -2.687 2.375 6.403 1.00 23.80 H -ATOM 2208 HA ALA A 117 -3.846 0.183 5.378 1.00 24.52 H -ATOM 2209 HB1 ALA A 117 -4.818 1.282 3.592 1.00 30.65 H -ATOM 2210 HB2 ALA A 117 -5.489 1.789 4.939 1.00 30.65 H -ATOM 2211 HB3 ALA A 117 -4.402 2.687 4.208 1.00 30.65 H -ATOM 2212 N LYS A 118 -2.162 0.329 3.406 1.00 22.52 N -ATOM 2213 CA LYS A 118 -1.044 0.438 2.478 1.00 21.09 C -ATOM 2214 C LYS A 118 -1.210 1.713 1.665 1.00 21.78 C -ATOM 2215 O LYS A 118 -2.297 1.998 1.151 1.00 23.96 O -ATOM 2216 CB LYS A 118 -1.022 -0.784 1.548 1.00 24.28 C -ATOM 2217 CG LYS A 118 0.107 -0.778 0.551 1.00 24.16 C -ATOM 2218 CD LYS A 118 0.090 -2.076 -0.294 1.00 31.06 C -ATOM 2219 CE LYS A 118 1.230 -2.154 -1.306 1.00 63.19 C -ATOM 2220 NZ LYS A 118 0.737 -2.069 -2.713 1.00 96.86 N -ATOM 2221 H LYS A 118 -2.729 -0.285 3.206 1.00 27.05 H -ATOM 2222 HA LYS A 118 -0.201 0.468 2.958 1.00 25.33 H -ATOM 2223 HB2 LYS A 118 -0.932 -1.584 2.089 1.00 29.15 H -ATOM 2224 HB3 LYS A 118 -1.854 -0.811 1.051 1.00 29.15 H -ATOM 2225 HG2 LYS A 118 0.010 -0.019 -0.046 1.00 29.01 H -ATOM 2226 HG3 LYS A 118 0.955 -0.725 1.019 1.00 29.01 H -ATOM 2227 HD2 LYS A 118 0.168 -2.839 0.300 1.00 37.30 H -ATOM 2228 HD3 LYS A 118 -0.746 -2.121 -0.784 1.00 37.30 H -ATOM 2229 HE2 LYS A 118 1.841 -1.416 -1.155 1.00 75.85 H -ATOM 2230 HE3 LYS A 118 1.695 -2.998 -1.199 1.00 75.85 H -ATOM 2231 HZ1 LYS A 118 1.423 -2.105 -3.278 1.00116.25 H -ATOM 2232 HZ2 LYS A 118 0.187 -2.748 -2.884 1.00116.25 H -ATOM 2233 HZ3 LYS A 118 0.299 -1.304 -2.837 1.00116.25 H -ATOM 2234 N THR A 119 -0.152 2.526 1.587 1.00 19.53 N -ATOM 2235 CA THR A 119 -0.227 3.840 0.949 1.00 18.13 C -ATOM 2236 C THR A 119 0.931 3.994 -0.038 1.00 19.03 C -ATOM 2237 O THR A 119 1.785 4.869 0.087 1.00 18.28 O -ATOM 2238 CB THR A 119 -0.219 4.987 1.954 1.00 16.71 C -ATOM 2239 OG1 THR A 119 0.976 4.943 2.736 1.00 18.84 O -ATOM 2240 CG2 THR A 119 -1.379 4.877 2.920 1.00 20.14 C -ATOM 2241 H THR A 119 0.626 2.335 1.900 1.00 23.45 H -ATOM 2242 HA THR A 119 -1.065 3.876 0.463 1.00 21.78 H -ATOM 2243 HB THR A 119 -0.283 5.819 1.460 1.00 20.08 H -ATOM 2244 HG1 THR A 119 1.007 5.605 3.253 1.00 22.63 H -ATOM 2245 HG21 THR A 119 -1.341 5.597 3.568 1.00 24.19 H -ATOM 2246 HG22 THR A 119 -2.219 4.932 2.437 1.00 24.19 H -ATOM 2247 HG23 THR A 119 -1.341 4.029 3.389 1.00 24.19 H -ATOM 2248 N GLU A 120 0.922 3.153 -1.069 1.00 19.43 N -ATOM 2249 CA GLU A 120 2.084 3.034 -1.944 1.00 18.12 C -ATOM 2250 C GLU A 120 2.354 4.287 -2.752 1.00 17.46 C -ATOM 2251 O GLU A 120 3.495 4.499 -3.183 1.00 19.17 O -ATOM 2252 CB GLU A 120 1.890 1.842 -2.898 1.00 24.62 C -ATOM 2253 CG GLU A 120 0.739 1.992 -3.899 1.00 32.02 C -ATOM 2254 CD GLU A 120 -0.643 1.520 -3.396 1.00 52.34 C -ATOM 2255 OE1 GLU A 120 -0.887 1.385 -2.168 1.00 32.11 O -ATOM 2256 OE2 GLU A 120 -1.512 1.289 -4.265 1.00 63.97 O -ATOM 2257 H GLU A 120 0.262 2.645 -1.282 1.00 23.34 H -ATOM 2258 HA GLU A 120 2.865 2.872 -1.392 1.00 21.76 H -ATOM 2259 HB2 GLU A 120 2.706 1.722 -3.409 1.00 29.57 H -ATOM 2260 HB3 GLU A 120 1.712 1.050 -2.366 1.00 29.57 H -ATOM 2261 HG2 GLU A 120 0.656 2.930 -4.131 1.00 38.45 H -ATOM 2262 HG3 GLU A 120 0.951 1.472 -4.689 1.00 38.45 H -ATOM 2263 N TRP A 121 1.341 5.132 -2.973 1.00 17.84 N -ATOM 2264 CA TRP A 121 1.525 6.363 -3.724 1.00 17.49 C -ATOM 2265 C TRP A 121 2.405 7.369 -2.987 1.00 19.70 C -ATOM 2266 O TRP A 121 2.818 8.376 -3.582 1.00 19.86 O -ATOM 2267 CB TRP A 121 0.150 6.984 -4.077 1.00 19.51 C -ATOM 2268 CG TRP A 121 -0.645 7.384 -2.895 1.00 19.51 C -ATOM 2269 CD1 TRP A 121 -0.626 8.589 -2.279 1.00 22.04 C -ATOM 2270 CD2 TRP A 121 -1.572 6.574 -2.173 1.00 17.29 C -ATOM 2271 NE1 TRP A 121 -1.476 8.581 -1.205 1.00 20.64 N -ATOM 2272 CE2 TRP A 121 -2.075 7.356 -1.121 1.00 20.38 C -ATOM 2273 CE3 TRP A 121 -2.048 5.267 -2.325 1.00 20.20 C -ATOM 2274 CZ2 TRP A 121 -3.018 6.858 -0.213 1.00 20.89 C -ATOM 2275 CZ3 TRP A 121 -2.984 4.784 -1.416 1.00 26.19 C -ATOM 2276 CH2 TRP A 121 -3.456 5.586 -0.384 1.00 22.76 C -ATOM 2277 H TRP A 121 0.536 5.009 -2.695 1.00 21.43 H -ATOM 2278 HA TRP A 121 1.964 6.159 -4.565 1.00 21.01 H -ATOM 2279 HB2 TRP A 121 0.295 7.776 -4.618 1.00 23.44 H -ATOM 2280 HB3 TRP A 121 -0.368 6.333 -4.575 1.00 23.44 H -ATOM 2281 HD1 TRP A 121 -0.111 9.316 -2.545 1.00 26.47 H -ATOM 2282 HE1 TRP A 121 -1.611 9.241 -0.670 1.00 24.80 H -ATOM 2283 HE3 TRP A 121 -1.745 4.731 -3.022 1.00 24.27 H -ATOM 2284 HZ2 TRP A 121 -3.334 7.384 0.486 1.00 25.10 H -ATOM 2285 HZ3 TRP A 121 -3.298 3.912 -1.500 1.00 31.45 H -ATOM 2286 HH2 TRP A 121 -4.088 5.242 0.205 1.00 27.34 H -ATOM 2287 N LEU A 122 2.679 7.139 -1.703 1.00 16.70 N -ATOM 2288 CA LEU A 122 3.586 7.984 -0.936 1.00 16.68 C -ATOM 2289 C LEU A 122 5.039 7.563 -1.079 1.00 15.08 C -ATOM 2290 O LEU A 122 5.921 8.302 -0.641 1.00 16.23 O -ATOM 2291 CB LEU A 122 3.164 8.017 0.536 1.00 15.92 C -ATOM 2292 CG LEU A 122 1.731 8.539 0.755 1.00 17.89 C -ATOM 2293 CD1 LEU A 122 1.394 8.488 2.242 1.00 21.28 C -ATOM 2294 CD2 LEU A 122 1.577 9.934 0.215 1.00 21.69 C -ATOM 2295 H LEU A 122 2.345 6.489 -1.249 1.00 20.06 H -ATOM 2296 HA LEU A 122 3.524 8.897 -1.257 1.00 20.04 H -ATOM 2297 HB2 LEU A 122 3.211 7.116 0.893 1.00 19.13 H -ATOM 2298 HB3 LEU A 122 3.771 8.598 1.021 1.00 19.13 H -ATOM 2299 HG LEU A 122 1.104 7.977 0.274 1.00 21.49 H -ATOM 2300 HD11 LEU A 122 0.481 8.790 2.370 1.00 25.56 H -ATOM 2301 HD12 LEU A 122 1.487 7.574 2.556 1.00 25.56 H -ATOM 2302 HD13 LEU A 122 2.005 9.067 2.725 1.00 25.56 H -ATOM 2303 HD21 LEU A 122 0.703 10.273 0.462 1.00 26.06 H -ATOM 2304 HD22 LEU A 122 2.270 10.497 0.594 1.00 26.06 H -ATOM 2305 HD23 LEU A 122 1.662 9.909 -0.751 1.00 26.06 H -ATOM 2306 N ASP A 123 5.304 6.403 -1.667 1.00 16.26 N -ATOM 2307 CA ASP A 123 6.677 5.933 -1.802 1.00 17.55 C -ATOM 2308 C ASP A 123 7.508 6.923 -2.611 1.00 16.97 C -ATOM 2309 O ASP A 123 7.072 7.431 -3.655 1.00 19.09 O -ATOM 2310 CB ASP A 123 6.707 4.565 -2.486 1.00 17.23 C -ATOM 2311 CG ASP A 123 6.185 3.451 -1.618 1.00 19.59 C -ATOM 2312 OD1 ASP A 123 6.001 3.639 -0.405 1.00 18.55 O -ATOM 2313 OD2 ASP A 123 5.967 2.328 -2.154 1.00 21.46 O -ATOM 2314 H ASP A 123 4.712 5.872 -1.993 1.00 19.54 H -ATOM 2315 HA ASP A 123 7.065 5.847 -0.917 1.00 21.09 H -ATOM 2316 HB2 ASP A 123 6.158 4.601 -3.285 1.00 20.70 H -ATOM 2317 HB3 ASP A 123 7.623 4.352 -2.724 1.00 20.70 H -ATOM 2318 N GLY A 124 8.699 7.212 -2.119 1.00 16.77 N -ATOM 2319 CA GLY A 124 9.588 8.109 -2.806 1.00 15.83 C -ATOM 2320 C GLY A 124 9.306 9.567 -2.567 1.00 17.62 C -ATOM 2321 O GLY A 124 10.048 10.415 -3.078 1.00 20.39 O -ATOM 2322 H GLY A 124 9.012 6.895 -1.383 1.00 20.15 H -ATOM 2323 HA2 GLY A 124 10.497 7.930 -2.517 1.00 19.02 H -ATOM 2324 HA3 GLY A 124 9.522 7.945 -3.760 1.00 19.02 H -ATOM 2325 N LYS A 125 8.263 9.894 -1.790 1.00 15.61 N -ATOM 2326 CA LYS A 125 7.914 11.264 -1.448 1.00 17.61 C -ATOM 2327 C LYS A 125 7.964 11.538 0.049 1.00 16.61 C -ATOM 2328 O LYS A 125 8.189 12.680 0.447 1.00 16.34 O -ATOM 2329 CB LYS A 125 6.468 11.589 -1.922 1.00 23.77 C -ATOM 2330 CG LYS A 125 6.184 11.378 -3.382 1.00 41.57 C -ATOM 2331 CD LYS A 125 4.735 11.785 -3.779 1.00 50.11 C -ATOM 2332 CE LYS A 125 4.073 12.741 -2.781 1.00 53.84 C -ATOM 2333 NZ LYS A 125 2.784 13.309 -3.283 1.00 74.86 N -ATOM 2334 H LYS A 125 7.731 9.316 -1.442 1.00 18.76 H -ATOM 2335 HA LYS A 125 8.533 11.857 -1.901 1.00 21.15 H -ATOM 2336 HB2 LYS A 125 5.853 11.025 -1.427 1.00 28.55 H -ATOM 2337 HB3 LYS A 125 6.290 12.523 -1.728 1.00 28.55 H -ATOM 2338 HG2 LYS A 125 6.800 11.916 -3.905 1.00 49.91 H -ATOM 2339 HG3 LYS A 125 6.301 10.439 -3.594 1.00 49.91 H -ATOM 2340 HD2 LYS A 125 4.759 12.227 -4.642 1.00 60.15 H -ATOM 2341 HD3 LYS A 125 4.189 10.986 -3.831 1.00 60.15 H -ATOM 2342 HE2 LYS A 125 3.888 12.261 -1.959 1.00 64.63 H -ATOM 2343 HE3 LYS A 125 4.676 13.480 -2.605 1.00 64.63 H -ATOM 2344 HZ1 LYS A 125 2.412 13.819 -2.656 1.00 89.86 H -ATOM 2345 HZ2 LYS A 125 2.931 13.804 -4.008 1.00 89.86 H -ATOM 2346 HZ3 LYS A 125 2.222 12.651 -3.491 1.00 89.86 H -ATOM 2347 N HIS A 126 7.695 10.537 0.880 1.00 14.13 N -ATOM 2348 CA HIS A 126 7.709 10.643 2.333 1.00 13.81 C -ATOM 2349 C HIS A 126 8.675 9.605 2.868 1.00 14.15 C -ATOM 2350 O HIS A 126 8.643 8.450 2.424 1.00 15.65 O -ATOM 2351 CB HIS A 126 6.307 10.410 2.926 1.00 14.27 C -ATOM 2352 CG HIS A 126 5.332 11.457 2.502 1.00 12.88 C -ATOM 2353 ND1 HIS A 126 5.098 12.588 3.254 1.00 15.73 N -ATOM 2354 CD2 HIS A 126 4.591 11.587 1.375 1.00 15.45 C -ATOM 2355 CE1 HIS A 126 4.229 13.357 2.611 1.00 16.47 C -ATOM 2356 NE2 HIS A 126 3.912 12.780 1.469 1.00 18.74 N -ATOM 2357 H HIS A 126 7.492 9.746 0.611 1.00 16.97 H -ATOM 2358 HA HIS A 126 8.003 11.528 2.600 1.00 16.59 H -ATOM 2359 HB2 HIS A 126 5.975 9.549 2.628 1.00 17.15 H -ATOM 2360 HB3 HIS A 126 6.365 10.426 3.894 1.00 17.15 H -ATOM 2361 HD2 HIS A 126 4.550 10.982 0.670 1.00 18.56 H -ATOM 2362 HE1 HIS A 126 3.898 14.171 2.916 1.00 19.78 H -ATOM 2363 N AVAL A 127 9.522 10.011 3.794 0.88 13.26 N -ATOM 2364 CA AVAL A 127 10.548 9.140 4.368 0.88 13.91 C -ATOM 2365 C AVAL A 127 9.937 8.228 5.423 0.88 14.29 C -ATOM 2366 O AVAL A 127 9.408 8.698 6.429 0.88 14.64 O -ATOM 2367 CB AVAL A 127 11.692 9.965 4.942 0.88 14.12 C -ATOM 2368 CG1AVAL A 127 12.730 9.036 5.587 0.88 15.20 C -ATOM 2369 CG2AVAL A 127 12.344 10.820 3.863 0.88 17.26 C -ATOM 2370 H AVAL A 127 9.530 10.807 4.120 0.88 15.94 H -ATOM 2371 HA AVAL A 127 10.892 8.565 3.666 0.88 16.72 H -ATOM 2372 HB AVAL A 127 11.338 10.563 5.619 0.88 16.97 H -ATOM 2373 HG11AVAL A 127 13.454 9.573 5.947 0.88 18.26 H -ATOM 2374 HG12AVAL A 127 12.305 8.533 6.299 0.88 18.26 H -ATOM 2375 HG13AVAL A 127 13.073 8.429 4.912 0.88 18.26 H -ATOM 2376 HG21AVAL A 127 13.081 11.315 4.254 0.88 20.74 H -ATOM 2377 HG22AVAL A 127 12.673 10.242 3.157 0.88 20.74 H -ATOM 2378 HG23AVAL A 127 11.685 11.436 3.506 0.88 20.74 H -ATOM 2379 N BVAL A 127 9.560 10.030 3.767 0.12 12.79 N -ATOM 2380 CA BVAL A 127 10.628 9.176 4.284 0.12 14.19 C -ATOM 2381 C BVAL A 127 10.075 8.342 5.433 0.12 14.04 C -ATOM 2382 O BVAL A 127 9.805 8.859 6.519 0.12 11.08 O -ATOM 2383 CB BVAL A 127 11.852 9.989 4.724 0.12 16.11 C -ATOM 2384 CG1BVAL A 127 12.367 10.840 3.579 0.12 17.23 C -ATOM 2385 CG2BVAL A 127 11.548 10.862 5.941 0.12 30.46 C -ATOM 2386 H BVAL A 127 9.564 10.823 4.100 0.12 15.37 H -ATOM 2387 HA BVAL A 127 10.905 8.570 3.578 0.12 17.05 H -ATOM 2388 HB BVAL A 127 12.546 9.363 4.983 0.12 19.36 H -ATOM 2389 HG11BVAL A 127 13.156 11.322 3.873 0.12 20.70 H -ATOM 2390 HG12BVAL A 127 12.592 10.263 2.832 0.12 20.70 H -ATOM 2391 HG13BVAL A 127 11.676 11.468 3.315 0.12 20.70 H -ATOM 2392 HG21BVAL A 127 12.278 11.488 6.071 0.12 36.58 H -ATOM 2393 HG22BVAL A 127 10.722 11.346 5.784 0.12 36.58 H -ATOM 2394 HG23BVAL A 127 11.456 10.294 6.722 0.12 36.58 H -ATOM 2395 N AVAL A 128 9.991 6.930 5.188 0.88 13.69 N -ATOM 2396 CA AVAL A 128 9.578 5.914 6.147 0.88 13.32 C -ATOM 2397 C AVAL A 128 10.709 5.668 7.130 0.88 14.03 C -ATOM 2398 O AVAL A 128 11.859 5.464 6.720 0.88 16.38 O -ATOM 2399 CB AVAL A 128 9.216 4.611 5.424 0.88 14.15 C -ATOM 2400 CG1AVAL A 128 8.976 3.502 6.425 0.88 14.87 C -ATOM 2401 CG2AVAL A 128 8.022 4.810 4.518 0.88 16.77 C -ATOM 2402 H AVAL A 128 10.274 6.594 4.449 0.88 16.45 H -ATOM 2403 HA AVAL A 128 8.804 6.237 6.633 0.88 16.01 H -ATOM 2404 HB AVAL A 128 9.960 4.345 4.861 0.88 17.00 H -ATOM 2405 HG11AVAL A 128 8.582 2.743 5.967 0.88 17.87 H -ATOM 2406 HG12AVAL A 128 9.824 3.245 6.820 0.88 17.87 H -ATOM 2407 HG13AVAL A 128 8.373 3.823 7.113 0.88 17.87 H -ATOM 2408 HG21AVAL A 128 7.829 3.976 4.063 0.88 20.15 H -ATOM 2409 HG22AVAL A 128 7.260 5.079 5.054 0.88 20.15 H -ATOM 2410 HG23AVAL A 128 8.230 5.501 3.869 0.88 20.15 H -ATOM 2411 N BVAL A 128 9.903 7.055 5.196 0.12 13.19 N -ATOM 2412 CA BVAL A 128 9.472 6.156 6.255 0.12 15.74 C -ATOM 2413 C BVAL A 128 10.670 5.839 7.142 0.12 14.31 C -ATOM 2414 O BVAL A 128 11.820 5.766 6.685 0.12 16.68 O -ATOM 2415 CB BVAL A 128 8.800 4.891 5.686 0.12 15.81 C -ATOM 2416 CG1BVAL A 128 7.829 5.238 4.558 0.12 18.06 C -ATOM 2417 CG2BVAL A 128 9.812 3.951 5.184 0.12 33.74 C -ATOM 2418 H BVAL A 128 10.027 6.677 4.434 0.12 15.86 H -ATOM 2419 HA BVAL A 128 8.801 6.598 6.798 0.12 18.91 H -ATOM 2420 HB BVAL A 128 8.301 4.472 6.403 0.12 18.99 H -ATOM 2421 HG11BVAL A 128 7.444 4.419 4.210 0.12 21.69 H -ATOM 2422 HG12BVAL A 128 7.128 5.809 4.909 0.12 21.69 H -ATOM 2423 HG13BVAL A 128 8.312 5.701 3.856 0.12 21.69 H -ATOM 2424 HG21BVAL A 128 9.369 3.246 4.687 0.12 40.51 H -ATOM 2425 HG22BVAL A 128 10.426 4.428 4.604 0.12 40.51 H -ATOM 2426 HG23BVAL A 128 10.294 3.574 5.937 0.12 40.51 H -ATOM 2427 N PHE A 129 10.399 5.665 8.425 1.00 14.47 N -ATOM 2428 CA PHE A 129 11.453 5.580 9.421 1.00 16.05 C -ATOM 2429 C PHE A 129 11.124 4.683 10.603 1.00 14.20 C -ATOM 2430 O PHE A 129 11.961 4.566 11.507 1.00 16.35 O -ATOM 2431 CB PHE A 129 11.856 6.989 9.887 1.00 15.90 C -ATOM 2432 CG PHE A 129 10.801 7.698 10.666 1.00 15.40 C -ATOM 2433 CD1 PHE A 129 9.804 8.413 10.030 1.00 16.65 C -ATOM 2434 CD2 PHE A 129 10.799 7.635 12.047 1.00 17.27 C -ATOM 2435 CE1 PHE A 129 8.838 9.041 10.714 1.00 14.64 C -ATOM 2436 CE2 PHE A 129 9.818 8.275 12.763 1.00 18.67 C -ATOM 2437 CZ PHE A 129 8.838 9.008 12.090 1.00 16.97 C -ATOM 2438 HA PHE A 129 12.237 5.188 9.005 1.00 19.28 H -ATOM 2439 HB2 PHE A 129 12.641 6.916 10.451 1.00 19.10 H -ATOM 2440 HB3 PHE A 129 12.058 7.528 9.106 1.00 19.10 H -ATOM 2441 HD1 PHE A 129 9.804 8.460 9.101 1.00 20.00 H -ATOM 2442 HD2 PHE A 129 11.463 7.159 12.492 1.00 20.75 H -ATOM 2443 HE1 PHE A 129 8.169 9.500 10.259 1.00 17.59 H -ATOM 2444 HE2 PHE A 129 9.807 8.222 13.691 1.00 22.43 H -ATOM 2445 HZ PHE A 129 8.188 9.470 12.569 1.00 20.39 H -ATOM 2446 H APHE A 129 9.600 5.710 8.742 0.88 17.39 H -ATOM 2447 H BPHE A 129 9.605 5.592 8.749 0.12 17.39 H -ATOM 2448 N GLY A 130 9.969 4.044 10.652 1.00 14.42 N -ATOM 2449 CA GLY A 130 9.650 3.206 11.796 1.00 15.77 C -ATOM 2450 C GLY A 130 8.397 2.412 11.543 1.00 14.09 C -ATOM 2451 O GLY A 130 7.763 2.521 10.498 1.00 16.25 O -ATOM 2452 H GLY A 130 9.361 4.076 10.045 1.00 17.33 H -ATOM 2453 HA2 GLY A 130 10.381 2.591 11.965 1.00 18.95 H -ATOM 2454 HA3 GLY A 130 9.515 3.761 12.580 1.00 18.95 H -ATOM 2455 N LYS A 131 8.015 1.617 12.541 1.00 16.36 N -ATOM 2456 CA LYS A 131 6.799 0.834 12.466 1.00 17.05 C -ATOM 2457 C LYS A 131 6.274 0.598 13.874 1.00 15.82 C -ATOM 2458 O LYS A 131 7.046 0.523 14.827 1.00 18.89 O -ATOM 2459 CB LYS A 131 7.019 -0.502 11.737 1.00 21.70 C -ATOM 2460 CG LYS A 131 7.738 -1.560 12.554 1.00 34.64 C -ATOM 2461 CD LYS A 131 7.732 -2.902 11.817 1.00 62.63 C -ATOM 2462 CE LYS A 131 8.503 -3.970 12.581 1.00 79.98 C -ATOM 2463 NZ LYS A 131 8.700 -5.204 11.767 1.00 93.60 N -ATOM 2464 H LYS A 131 8.450 1.518 13.276 1.00 19.66 H -ATOM 2465 HA LYS A 131 6.127 1.329 11.974 1.00 20.48 H -ATOM 2466 HB2 LYS A 131 6.153 -0.863 11.489 1.00 26.06 H -ATOM 2467 HB3 LYS A 131 7.549 -0.336 10.943 1.00 26.06 H -ATOM 2468 HG2 LYS A 131 8.659 -1.290 12.698 1.00 41.59 H -ATOM 2469 HG3 LYS A 131 7.289 -1.674 13.407 1.00 41.59 H -ATOM 2470 HD2 LYS A 131 6.817 -3.206 11.712 1.00 75.18 H -ATOM 2471 HD3 LYS A 131 8.147 -2.792 10.948 1.00 75.18 H -ATOM 2472 HE2 LYS A 131 9.377 -3.623 12.822 1.00 95.99 H -ATOM 2473 HE3 LYS A 131 8.010 -4.210 13.381 1.00 95.99 H -ATOM 2474 HZ1 LYS A 131 9.158 -5.807 12.235 1.00112.34 H -ATOM 2475 HZ2 LYS A 131 7.912 -5.550 11.543 1.00112.34 H -ATOM 2476 HZ3 LYS A 131 9.152 -5.010 11.025 1.00112.34 H -ATOM 2477 N VAL A 132 4.958 0.457 13.972 1.00 16.23 N -ATOM 2478 CA VAL A 132 4.337 0.048 15.226 1.00 16.52 C -ATOM 2479 C VAL A 132 4.831 -1.344 15.579 1.00 20.27 C -ATOM 2480 O VAL A 132 4.807 -2.261 14.751 1.00 21.18 O -ATOM 2481 CB VAL A 132 2.811 0.066 15.085 1.00 17.64 C -ATOM 2482 CG1 VAL A 132 2.140 -0.526 16.360 1.00 18.75 C -ATOM 2483 CG2 VAL A 132 2.317 1.483 14.832 1.00 18.52 C -ATOM 2484 H VAL A 132 4.403 0.590 13.330 1.00 19.50 H -ATOM 2485 HA VAL A 132 4.589 0.665 15.931 1.00 19.84 H -ATOM 2486 HB VAL A 132 2.561 -0.483 14.326 1.00 21.19 H -ATOM 2487 HG11 VAL A 132 1.178 -0.415 16.290 1.00 22.52 H -ATOM 2488 HG12 VAL A 132 2.360 -1.468 16.424 1.00 22.52 H -ATOM 2489 HG13 VAL A 132 2.471 -0.054 17.140 1.00 22.52 H -ATOM 2490 HG21 VAL A 132 1.347 1.481 14.816 1.00 22.25 H -ATOM 2491 HG22 VAL A 132 2.635 2.061 15.543 1.00 22.25 H -ATOM 2492 HG23 VAL A 132 2.660 1.790 13.978 1.00 22.25 H -ATOM 2493 N LYS A 133 5.289 -1.497 16.809 1.00 17.78 N -ATOM 2494 CA LYS A 133 5.771 -2.759 17.372 1.00 22.08 C -ATOM 2495 C LYS A 133 4.725 -3.394 18.274 1.00 25.19 C -ATOM 2496 O LYS A 133 4.439 -4.586 18.151 1.00 29.52 O -ATOM 2497 CB LYS A 133 7.062 -2.468 18.138 1.00 27.40 C -ATOM 2498 CG LYS A 133 7.806 -3.669 18.658 1.00 47.48 C -ATOM 2499 CD LYS A 133 9.090 -3.197 19.342 1.00 51.01 C -ATOM 2500 CE LYS A 133 10.002 -4.345 19.739 1.00 75.66 C -ATOM 2501 NZ LYS A 133 11.242 -3.821 20.378 1.00 74.41 N -ATOM 2502 H LYS A 133 5.336 -0.851 17.375 1.00 21.36 H -ATOM 2503 HA LYS A 133 5.974 -3.403 16.675 1.00 26.52 H -ATOM 2504 HB2 LYS A 133 7.664 -1.992 17.546 1.00 32.91 H -ATOM 2505 HB3 LYS A 133 6.841 -1.914 18.903 1.00 32.91 H -ATOM 2506 HG2 LYS A 133 7.260 -4.143 19.304 1.00 57.00 H -ATOM 2507 HG3 LYS A 133 8.038 -4.258 17.923 1.00 57.00 H -ATOM 2508 HD2 LYS A 133 9.580 -2.623 18.733 1.00 61.23 H -ATOM 2509 HD3 LYS A 133 8.859 -2.707 20.146 1.00 61.23 H -ATOM 2510 HE2 LYS A 133 9.546 -4.920 20.372 1.00 90.81 H -ATOM 2511 HE3 LYS A 133 10.251 -4.852 18.950 1.00 90.81 H -ATOM 2512 HZ1 LYS A 133 11.767 -4.496 20.623 1.00 89.31 H -ATOM 2513 HZ2 LYS A 133 11.685 -3.304 19.804 1.00 89.31 H -ATOM 2514 HZ3 LYS A 133 11.034 -3.341 21.098 1.00 89.31 H -ATOM 2515 N GLU A 134 4.177 -2.635 19.212 1.00 20.68 N -ATOM 2516 CA GLU A 134 3.113 -3.098 20.080 1.00 19.54 C -ATOM 2517 C GLU A 134 2.010 -2.068 20.085 1.00 19.48 C -ATOM 2518 O GLU A 134 2.270 -0.866 19.951 1.00 19.13 O -ATOM 2519 CB GLU A 134 3.542 -3.210 21.539 1.00 25.06 C -ATOM 2520 CG GLU A 134 4.697 -4.120 21.785 1.00 35.55 C -ATOM 2521 CD GLU A 134 5.051 -4.179 23.258 1.00 35.77 C -ATOM 2522 OE1 GLU A 134 5.600 -3.187 23.776 1.00 44.11 O -ATOM 2523 OE2 GLU A 134 4.761 -5.217 23.881 1.00 45.73 O -ATOM 2524 H GLU A 134 4.414 -1.823 19.367 1.00 24.84 H -ATOM 2525 HA GLU A 134 2.820 -3.961 19.747 1.00 23.48 H -ATOM 2526 HB2 GLU A 134 3.794 -2.328 21.854 1.00 30.09 H -ATOM 2527 HB3 GLU A 134 2.792 -3.546 22.055 1.00 30.09 H -ATOM 2528 HG2 GLU A 134 4.469 -5.015 21.489 1.00 42.69 H -ATOM 2529 HG3 GLU A 134 5.470 -3.796 21.297 1.00 42.69 H -ATOM 2530 N GLY A 135 0.782 -2.531 20.235 1.00 17.76 N -ATOM 2531 CA GLY A 135 -0.331 -1.636 20.352 1.00 16.57 C -ATOM 2532 C GLY A 135 -0.964 -1.195 19.056 1.00 17.79 C -ATOM 2533 O GLY A 135 -1.604 -0.144 19.018 1.00 18.58 O -ATOM 2534 H GLY A 135 0.575 -3.365 20.271 1.00 21.34 H -ATOM 2535 HA2 GLY A 135 -1.020 -2.071 20.878 1.00 19.91 H -ATOM 2536 HA3 GLY A 135 -0.034 -0.838 20.817 1.00 19.91 H -ATOM 2537 N MET A 136 -0.845 -1.972 17.988 1.00 17.43 N -ATOM 2538 CA MET A 136 -1.604 -1.630 16.791 1.00 16.67 C -ATOM 2539 C MET A 136 -3.084 -1.542 17.090 1.00 18.83 C -ATOM 2540 O MET A 136 -3.814 -0.767 16.457 1.00 19.61 O -ATOM 2541 CB MET A 136 -1.332 -2.669 15.703 1.00 21.72 C -ATOM 2542 CG MET A 136 -1.770 -2.206 14.335 1.00 24.21 C -ATOM 2543 SD MET A 136 -0.961 -0.691 13.715 1.00 24.14 S -ATOM 2544 CE MET A 136 -2.182 -0.144 12.519 1.00 31.35 C -ATOM 2545 H MET A 136 -0.353 -2.675 17.931 1.00 20.94 H -ATOM 2546 HA MET A 136 -1.308 -0.768 16.458 1.00 20.03 H -ATOM 2547 HB2 MET A 136 -0.379 -2.848 15.669 1.00 26.09 H -ATOM 2548 HB3 MET A 136 -1.816 -3.482 15.915 1.00 26.09 H -ATOM 2549 HG2 MET A 136 -1.580 -2.914 13.699 1.00 29.08 H -ATOM 2550 HG3 MET A 136 -2.723 -2.032 14.362 1.00 29.08 H -ATOM 2551 HE1 MET A 136 -1.903 0.709 12.150 1.00 37.65 H -ATOM 2552 HE2 MET A 136 -2.249 -0.804 11.812 1.00 37.65 H -ATOM 2553 HE3 MET A 136 -3.039 -0.048 12.964 1.00 37.65 H -ATOM 2554 N ASN A 137 -3.566 -2.332 18.063 1.00 19.61 N -ATOM 2555 CA ASN A 137 -4.970 -2.269 18.437 1.00 17.36 C -ATOM 2556 C ASN A 137 -5.353 -0.912 18.998 1.00 16.44 C -ATOM 2557 O ASN A 137 -6.498 -0.479 18.839 1.00 19.47 O -ATOM 2558 CB ASN A 137 -5.306 -3.349 19.484 1.00 19.34 C -ATOM 2559 CG ASN A 137 -4.411 -3.283 20.721 1.00 19.19 C -ATOM 2560 OD1 ASN A 137 -3.174 -3.285 20.628 1.00 20.34 O -ATOM 2561 ND2 ASN A 137 -5.040 -3.243 21.886 1.00 23.29 N -ATOM 2562 H ASN A 137 -3.101 -2.901 18.510 1.00 23.55 H -ATOM 2563 HA ASN A 137 -5.489 -2.437 17.636 1.00 20.86 H -ATOM 2564 HB2 ASN A 137 -6.225 -3.233 19.773 1.00 23.23 H -ATOM 2565 HB3 ASN A 137 -5.193 -4.225 19.081 1.00 23.23 H -ATOM 2566 HD21 ASN A 137 -4.588 -3.205 22.617 1.00 27.97 H -ATOM 2567 HD22 ASN A 137 -5.899 -3.256 21.912 1.00 27.97 H -ATOM 2568 N ILE A 138 -4.400 -0.221 19.631 1.00 16.13 N -ATOM 2569 CA ILE A 138 -4.652 1.124 20.142 1.00 16.53 C -ATOM 2570 C ILE A 138 -4.740 2.128 18.995 1.00 16.25 C -ATOM 2571 O ILE A 138 -5.574 3.040 19.014 1.00 17.45 O -ATOM 2572 CB ILE A 138 -3.568 1.503 21.160 1.00 17.79 C -ATOM 2573 CG1 ILE A 138 -3.570 0.521 22.353 1.00 19.07 C -ATOM 2574 CG2 ILE A 138 -3.749 2.930 21.686 1.00 19.56 C -ATOM 2575 CD1 ILE A 138 -4.900 0.396 23.057 1.00 21.08 C -ATOM 2576 H ILE A 138 -3.603 -0.509 19.777 1.00 19.37 H -ATOM 2577 HA ILE A 138 -5.509 1.133 20.597 1.00 19.86 H -ATOM 2578 HB ILE A 138 -2.720 1.451 20.693 1.00 21.37 H -ATOM 2579 HG12 ILE A 138 -3.327 -0.360 22.028 1.00 22.91 H -ATOM 2580 HG13 ILE A 138 -2.920 0.825 23.006 1.00 22.91 H -ATOM 2581 HG21 ILE A 138 -3.047 3.122 22.327 1.00 23.49 H -ATOM 2582 HG22 ILE A 138 -3.696 3.550 20.942 1.00 23.49 H -ATOM 2583 HG23 ILE A 138 -4.617 3.001 22.114 1.00 23.49 H -ATOM 2584 HD11 ILE A 138 -4.804 -0.209 23.809 1.00 25.32 H -ATOM 2585 HD12 ILE A 138 -5.175 1.272 23.370 1.00 25.32 H -ATOM 2586 HD13 ILE A 138 -5.556 0.047 22.434 1.00 25.32 H -ATOM 2587 N VAL A 139 -3.900 1.960 17.979 1.00 16.04 N -ATOM 2588 CA VAL A 139 -4.042 2.778 16.765 1.00 17.01 C -ATOM 2589 C VAL A 139 -5.394 2.549 16.112 1.00 17.58 C -ATOM 2590 O VAL A 139 -6.050 3.491 15.660 1.00 19.46 O -ATOM 2591 CB VAL A 139 -2.893 2.473 15.808 1.00 16.24 C -ATOM 2592 CG1 VAL A 139 -3.082 3.290 14.514 1.00 19.83 C -ATOM 2593 CG2 VAL A 139 -1.571 2.795 16.443 1.00 18.94 C -ATOM 2594 H VAL A 139 -3.253 1.394 17.961 1.00 19.27 H -ATOM 2595 HA VAL A 139 -3.998 3.715 17.013 1.00 20.44 H -ATOM 2596 HB VAL A 139 -2.892 1.528 15.592 1.00 19.51 H -ATOM 2597 HG11 VAL A 139 -2.315 3.149 13.937 1.00 23.82 H -ATOM 2598 HG12 VAL A 139 -3.890 2.991 14.068 1.00 23.82 H -ATOM 2599 HG13 VAL A 139 -3.157 4.229 14.741 1.00 23.82 H -ATOM 2600 HG21 VAL A 139 -0.868 2.675 15.786 1.00 22.75 H -ATOM 2601 HG22 VAL A 139 -1.584 3.715 16.751 1.00 22.75 H -ATOM 2602 HG23 VAL A 139 -1.428 2.197 17.194 1.00 22.75 H -ATOM 2603 N GLU A 140 -5.846 1.291 16.044 1.00 16.60 N -ATOM 2604 CA GLU A 140 -7.154 1.024 15.460 1.00 19.33 C -ATOM 2605 C GLU A 140 -8.262 1.687 16.267 1.00 18.14 C -ATOM 2606 O GLU A 140 -9.228 2.218 15.703 1.00 21.53 O -ATOM 2607 CB GLU A 140 -7.369 -0.485 15.344 1.00 23.29 C -ATOM 2608 CG GLU A 140 -6.401 -1.153 14.366 1.00 25.28 C -ATOM 2609 CD GLU A 140 -6.380 -2.676 14.473 1.00 44.92 C -ATOM 2610 OE1 GLU A 140 -7.026 -3.243 15.392 1.00 37.93 O -ATOM 2611 OE2 GLU A 140 -5.692 -3.299 13.638 1.00 38.72 O -ATOM 2612 H GLU A 140 -5.423 0.596 16.324 1.00 19.94 H -ATOM 2613 HA GLU A 140 -7.190 1.394 14.564 1.00 23.22 H -ATOM 2614 HB2 GLU A 140 -7.239 -0.889 16.216 1.00 27.97 H -ATOM 2615 HB3 GLU A 140 -8.272 -0.651 15.032 1.00 27.97 H -ATOM 2616 HG2 GLU A 140 -6.662 -0.923 13.461 1.00 30.36 H -ATOM 2617 HG3 GLU A 140 -5.503 -0.831 14.545 1.00 30.36 H -ATOM 2618 N ALA A 141 -8.126 1.706 17.600 1.00 18.41 N -ATOM 2619 CA ALA A 141 -9.121 2.384 18.422 1.00 19.43 C -ATOM 2620 C ALA A 141 -9.115 3.888 18.188 1.00 21.05 C -ATOM 2621 O ALA A 141 -10.177 4.513 18.158 1.00 23.20 O -ATOM 2622 CB ALA A 141 -8.873 2.056 19.895 1.00 22.85 C -ATOM 2623 H ALA A 141 -7.482 1.342 18.038 1.00 22.11 H -ATOM 2624 HA ALA A 141 -10.003 2.060 18.183 1.00 23.34 H -ATOM 2625 HB1 ALA A 141 -9.542 2.504 20.435 1.00 27.44 H -ATOM 2626 HB2 ALA A 141 -8.935 1.096 20.020 1.00 27.44 H -ATOM 2627 HB3 ALA A 141 -7.987 2.365 20.142 1.00 27.44 H -ATOM 2628 N MET A 142 -7.925 4.485 18.030 1.00 20.00 N -ATOM 2629 CA MET A 142 -7.841 5.917 17.742 1.00 20.26 C -ATOM 2630 C MET A 142 -8.542 6.247 16.443 1.00 20.34 C -ATOM 2631 O MET A 142 -9.171 7.302 16.316 1.00 20.43 O -ATOM 2632 CB MET A 142 -6.374 6.340 17.565 1.00 24.60 C -ATOM 2633 CG MET A 142 -5.583 6.346 18.802 1.00 24.67 C -ATOM 2634 SD MET A 142 -3.820 6.446 18.432 1.00 26.88 S -ATOM 2635 CE MET A 142 -3.784 7.975 17.551 1.00 24.99 C -ATOM 2636 H MET A 142 -7.165 4.087 18.085 1.00 24.03 H -ATOM 2637 HA MET A 142 -8.238 6.386 18.492 1.00 24.33 H -ATOM 2638 HB2 MET A 142 -5.948 5.724 16.949 1.00 29.54 H -ATOM 2639 HB3 MET A 142 -6.355 7.239 17.202 1.00 29.54 H -ATOM 2640 HG2 MET A 142 -5.829 7.114 19.341 1.00 29.62 H -ATOM 2641 HG3 MET A 142 -5.748 5.527 19.296 1.00 29.62 H -ATOM 2642 HE1 MET A 142 -2.866 8.186 17.322 1.00 30.01 H -ATOM 2643 HE2 MET A 142 -4.314 7.887 16.743 1.00 30.01 H -ATOM 2644 HE3 MET A 142 -4.154 8.673 18.114 1.00 30.01 H -ATOM 2645 N GLU A 143 -8.385 5.376 15.453 1.00 22.42 N -ATOM 2646 CA GLU A 143 -8.964 5.596 14.140 1.00 24.71 C -ATOM 2647 C GLU A 143 -10.446 5.880 14.221 1.00 26.48 C -ATOM 2648 O GLU A 143 -10.976 6.650 13.412 1.00 30.45 O -ATOM 2649 CB GLU A 143 -8.715 4.353 13.291 1.00 32.54 C -ATOM 2650 CG GLU A 143 -8.261 4.669 11.940 1.00 37.44 C -ATOM 2651 CD GLU A 143 -8.124 3.454 11.069 1.00 30.96 C -ATOM 2652 OE1 GLU A 143 -8.259 2.311 11.547 1.00 34.22 O -ATOM 2653 OE2 GLU A 143 -7.883 3.659 9.885 1.00 29.19 O -ATOM 2654 H GLU A 143 -7.942 4.642 15.518 1.00 26.93 H -ATOM 2655 HA GLU A 143 -8.544 6.363 13.720 1.00 29.67 H -ATOM 2656 HB2 GLU A 143 -8.032 3.812 13.718 1.00 39.07 H -ATOM 2657 HB3 GLU A 143 -9.540 3.849 13.220 1.00 39.07 H -ATOM 2658 HG2 GLU A 143 -8.902 5.266 11.524 1.00 44.95 H -ATOM 2659 HG3 GLU A 143 -7.393 5.099 11.992 1.00 44.95 H -ATOM 2660 N ARG A 144 -11.142 5.279 15.185 1.00 24.39 N -ATOM 2661 CA ARG A 144 -12.591 5.417 15.265 1.00 28.14 C -ATOM 2662 C ARG A 144 -13.034 6.808 15.684 1.00 28.78 C -ATOM 2663 O ARG A 144 -14.218 7.133 15.538 1.00 33.99 O -ATOM 2664 CB ARG A 144 -13.154 4.327 16.183 1.00 36.47 C -ATOM 2665 CG ARG A 144 -12.990 2.916 15.600 1.00 49.09 C -ATOM 2666 CD ARG A 144 -13.793 1.866 16.353 1.00 81.08 C -ATOM 2667 NE ARG A 144 -13.172 1.462 17.610 1.00 88.79 N -ATOM 2668 CZ ARG A 144 -12.343 0.434 17.748 1.00 76.07 C -ATOM 2669 NH1 ARG A 144 -11.978 -0.308 16.713 1.00 73.68 N -ATOM 2670 NH2 ARG A 144 -11.868 0.142 18.956 1.00 70.22 N -ATOM 2671 H ARG A 144 -10.798 4.788 15.801 1.00 29.30 H -ATOM 2672 HA ARG A 144 -12.983 5.274 14.390 1.00 33.79 H -ATOM 2673 HB2 ARG A 144 -12.687 4.358 17.033 1.00 43.79 H -ATOM 2674 HB3 ARG A 144 -14.101 4.488 16.319 1.00 43.79 H -ATOM 2675 HG2 ARG A 144 -13.290 2.918 14.678 1.00 58.94 H -ATOM 2676 HG3 ARG A 144 -12.054 2.663 15.643 1.00 58.94 H -ATOM 2677 HD2 ARG A 144 -14.670 2.227 16.556 1.00 97.32 H -ATOM 2678 HD3 ARG A 144 -13.880 1.077 15.795 1.00 97.32 H -ATOM 2679 HE ARG A 144 -13.357 1.922 18.312 1.00106.57 H -ATOM 2680 HH11 ARG A 144 -12.280 -0.129 15.928 1.00 88.44 H -ATOM 2681 HH12 ARG A 144 -11.440 -0.969 16.826 1.00 88.44 H -ATOM 2682 HH21 ARG A 144 -12.099 0.617 19.635 1.00 84.29 H -ATOM 2683 HH22 ARG A 144 -11.330 -0.521 19.058 1.00 84.29 H -ATOM 2684 N PHE A 145 -12.125 7.653 16.162 1.00 21.07 N -ATOM 2685 CA PHE A 145 -12.438 9.036 16.480 1.00 19.83 C -ATOM 2686 C PHE A 145 -12.145 9.995 15.334 1.00 20.29 C -ATOM 2687 O PHE A 145 -12.248 11.209 15.522 1.00 23.94 O -ATOM 2688 CB PHE A 145 -11.670 9.456 17.734 1.00 21.01 C -ATOM 2689 CG PHE A 145 -12.035 8.638 18.953 1.00 22.62 C -ATOM 2690 CD1 PHE A 145 -13.236 8.857 19.605 1.00 28.79 C -ATOM 2691 CD2 PHE A 145 -11.208 7.637 19.407 1.00 25.00 C -ATOM 2692 CE1 PHE A 145 -13.585 8.093 20.708 1.00 29.85 C -ATOM 2693 CE2 PHE A 145 -11.564 6.868 20.527 1.00 26.21 C -ATOM 2694 CZ PHE A 145 -12.748 7.105 21.156 1.00 30.05 C -ATOM 2695 H PHE A 145 -11.305 7.442 16.313 1.00 25.30 H -ATOM 2696 HA PHE A 145 -13.386 9.112 16.673 1.00 23.82 H -ATOM 2697 HB2 PHE A 145 -10.720 9.345 17.574 1.00 25.23 H -ATOM 2698 HB3 PHE A 145 -11.868 10.385 17.928 1.00 25.23 H -ATOM 2699 HD1 PHE A 145 -13.813 9.520 19.301 1.00 34.57 H -ATOM 2700 HD2 PHE A 145 -10.406 7.468 18.968 1.00 30.03 H -ATOM 2701 HE1 PHE A 145 -14.390 8.252 21.145 1.00 35.84 H -ATOM 2702 HE2 PHE A 145 -10.994 6.201 20.837 1.00 31.48 H -ATOM 2703 HZ PHE A 145 -12.990 6.593 21.895 1.00 36.08 H -ATOM 2704 N GLY A 146 -11.738 9.473 14.176 1.00 21.39 N -ATOM 2705 CA GLY A 146 -11.520 10.280 12.997 1.00 20.20 C -ATOM 2706 C GLY A 146 -12.774 10.404 12.164 1.00 23.85 C -ATOM 2707 O GLY A 146 -13.867 9.987 12.552 1.00 24.16 O -ATOM 2708 H GLY A 146 -11.579 8.636 14.056 1.00 25.69 H -ATOM 2709 HA2 GLY A 146 -11.236 11.169 13.262 1.00 24.27 H -ATOM 2710 HA3 GLY A 146 -10.827 9.876 12.452 1.00 24.27 H -ATOM 2711 N SER A 147 -12.599 10.985 10.986 1.00 19.29 N -ATOM 2712 CA SER A 147 -13.704 11.248 10.076 1.00 19.17 C -ATOM 2713 C SER A 147 -13.130 11.419 8.681 1.00 22.18 C -ATOM 2714 O SER A 147 -11.920 11.537 8.493 1.00 18.87 O -ATOM 2715 CB SER A 147 -14.454 12.515 10.482 1.00 21.21 C -ATOM 2716 OG SER A 147 -13.647 13.641 10.319 1.00 24.08 O -ATOM 2717 H SER A 147 -11.835 11.240 10.685 1.00 23.17 H -ATOM 2718 HA SER A 147 -14.316 10.496 10.084 1.00 23.03 H -ATOM 2719 HB2 SER A 147 -15.242 12.608 9.924 1.00 25.48 H -ATOM 2720 HB3 SER A 147 -14.713 12.444 11.414 1.00 25.48 H -ATOM 2721 HG SER A 147 -14.012 14.310 10.674 1.00 28.92 H -ATOM 2722 N ARG A 148 -14.026 11.474 7.695 1.00 20.05 N -ATOM 2723 CA ARG A 148 -13.586 11.553 6.310 1.00 19.08 C -ATOM 2724 C ARG A 148 -12.743 12.784 6.038 1.00 19.30 C -ATOM 2725 O ARG A 148 -11.797 12.713 5.246 1.00 21.89 O -ATOM 2726 CB ARG A 148 -14.784 11.572 5.369 1.00 19.98 C -ATOM 2727 CG ARG A 148 -15.497 10.275 5.210 1.00 24.52 C -ATOM 2728 CD ARG A 148 -14.704 9.251 4.428 1.00 29.30 C -ATOM 2729 NE ARG A 148 -14.252 9.756 3.133 1.00 23.65 N -ATOM 2730 CZ ARG A 148 -14.970 9.764 2.013 1.00 23.81 C -ATOM 2731 NH1 ARG A 148 -16.210 9.295 1.971 1.00 27.68 N -ATOM 2732 NH2 ARG A 148 -14.418 10.239 0.898 1.00 22.08 N -ATOM 2733 H ARG A 148 -14.879 11.466 7.802 1.00 24.08 H -ATOM 2734 HA ARG A 148 -13.049 10.763 6.139 1.00 22.92 H -ATOM 2735 HB2 ARG A 148 -15.428 12.215 5.707 1.00 24.00 H -ATOM 2736 HB3 ARG A 148 -14.477 11.842 4.489 1.00 24.00 H -ATOM 2737 HG2 ARG A 148 -15.676 9.905 6.088 1.00 29.44 H -ATOM 2738 HG3 ARG A 148 -16.330 10.430 4.738 1.00 29.44 H -ATOM 2739 HD2 ARG A 148 -13.920 8.999 4.941 1.00 35.18 H -ATOM 2740 HD3 ARG A 148 -15.261 8.473 4.269 1.00 35.18 H -ATOM 2741 HE ARG A 148 -13.455 10.074 3.091 1.00 28.40 H -ATOM 2742 HH11 ARG A 148 -16.572 8.974 2.681 1.00 33.24 H -ATOM 2743 HH12 ARG A 148 -16.651 9.313 1.233 1.00 33.24 H -ATOM 2744 HH21 ARG A 148 -13.610 10.534 0.910 1.00 26.52 H -ATOM 2745 HH22 ARG A 148 -14.869 10.251 0.166 1.00 26.52 H -ATOM 2746 N ASN A 149 -13.071 13.929 6.639 1.00 18.42 N -ATOM 2747 CA ASN A 149 -12.293 15.145 6.421 1.00 20.56 C -ATOM 2748 C ASN A 149 -11.131 15.287 7.399 1.00 18.86 C -ATOM 2749 O ASN A 149 -10.387 16.266 7.325 1.00 24.13 O -ATOM 2750 CB ASN A 149 -13.182 16.407 6.395 1.00 23.52 C -ATOM 2751 CG ASN A 149 -13.773 16.761 7.742 1.00 32.58 C -ATOM 2752 OD1 ASN A 149 -13.391 16.225 8.771 1.00 26.40 O -ATOM 2753 ND2 ASN A 149 -14.719 17.691 7.737 1.00 34.02 N -ATOM 2754 H ASN A 149 -13.737 14.023 7.175 1.00 22.13 H -ATOM 2755 HA ASN A 149 -11.908 15.102 5.531 1.00 24.70 H -ATOM 2756 HB2 ASN A 149 -12.647 17.160 6.098 1.00 28.25 H -ATOM 2757 HB3 ASN A 149 -13.917 16.258 5.779 1.00 28.25 H -ATOM 2758 HD21 ASN A 149 -15.090 17.931 8.474 1.00 40.84 H -ATOM 2759 HD22 ASN A 149 -14.961 18.053 6.995 1.00 40.84 H -ATOM 2760 N GLY A 150 -10.939 14.308 8.282 1.00 18.02 N -ATOM 2761 CA GLY A 150 -9.808 14.302 9.189 1.00 19.36 C -ATOM 2762 C GLY A 150 -10.049 14.888 10.555 1.00 18.65 C -ATOM 2763 O GLY A 150 -9.249 14.656 11.459 1.00 18.55 O -ATOM 2764 H GLY A 150 -11.460 13.629 8.372 1.00 21.64 H -ATOM 2765 HA2 GLY A 150 -9.521 13.384 9.313 1.00 23.25 H -ATOM 2766 HA3 GLY A 150 -9.087 14.806 8.780 1.00 23.25 H -ATOM 2767 N LYS A 151 -11.141 15.610 10.761 1.00 19.37 N -ATOM 2768 CA LYS A 151 -11.388 16.176 12.072 1.00 20.97 C -ATOM 2769 C LYS A 151 -11.745 15.071 13.050 1.00 19.00 C -ATOM 2770 O LYS A 151 -12.448 14.121 12.725 1.00 22.63 O -ATOM 2771 CB LYS A 151 -12.536 17.189 12.001 1.00 27.29 C -ATOM 2772 CG LYS A 151 -12.189 18.453 11.238 1.00 53.39 C -ATOM 2773 CD LYS A 151 -13.388 19.394 11.133 1.00 88.63 C -ATOM 2774 CE LYS A 151 -13.056 20.625 10.297 1.00 95.27 C -ATOM 2775 NZ LYS A 151 -14.218 21.548 10.138 1.00 92.94 N -ATOM 2776 H LYS A 151 -11.742 15.781 10.169 1.00 23.26 H -ATOM 2777 HA LYS A 151 -10.593 16.635 12.386 1.00 25.19 H -ATOM 2778 HB2 LYS A 151 -13.292 16.773 11.559 1.00 32.77 H -ATOM 2779 HB3 LYS A 151 -12.780 17.447 12.904 1.00 32.77 H -ATOM 2780 HG2 LYS A 151 -11.475 18.920 11.698 1.00 64.09 H -ATOM 2781 HG3 LYS A 151 -11.908 18.217 10.340 1.00 64.09 H -ATOM 2782 HD2 LYS A 151 -14.127 18.929 10.711 1.00106.38 H -ATOM 2783 HD3 LYS A 151 -13.645 19.688 12.021 1.00106.38 H -ATOM 2784 HE2 LYS A 151 -12.341 21.117 10.730 1.00114.35 H -ATOM 2785 HE3 LYS A 151 -12.776 20.340 9.413 1.00114.35 H -ATOM 2786 HZ1 LYS A 151 -13.978 22.258 9.658 1.00111.55 H -ATOM 2787 HZ2 LYS A 151 -14.884 21.129 9.721 1.00111.55 H -ATOM 2788 HZ3 LYS A 151 -14.502 21.821 10.936 1.00111.55 H -ATOM 2789 N THR A 152 -11.249 15.209 14.273 1.00 22.49 N -ATOM 2790 CA THR A 152 -11.495 14.209 15.293 1.00 21.80 C -ATOM 2791 C THR A 152 -12.685 14.628 16.147 1.00 21.68 C -ATOM 2792 O THR A 152 -12.920 15.818 16.367 1.00 24.11 O -ATOM 2793 CB THR A 152 -10.247 13.973 16.144 1.00 20.95 C -ATOM 2794 OG1 THR A 152 -9.851 15.160 16.821 1.00 23.02 O -ATOM 2795 CG2 THR A 152 -9.073 13.533 15.263 1.00 21.49 C -ATOM 2796 H THR A 152 -10.769 15.874 14.532 1.00 27.02 H -ATOM 2797 HA THR A 152 -11.714 13.358 14.882 1.00 26.18 H -ATOM 2798 HB THR A 152 -10.458 13.284 16.794 1.00 25.16 H -ATOM 2799 HG1 THR A 152 -10.426 15.368 17.398 1.00 27.65 H -ATOM 2800 HG21 THR A 152 -8.282 13.397 15.808 1.00 25.81 H -ATOM 2801 HG22 THR A 152 -9.290 12.704 14.810 1.00 25.81 H -ATOM 2802 HG23 THR A 152 -8.883 14.214 14.599 1.00 25.81 H -ATOM 2803 N SER A 153 -13.444 13.637 16.597 1.00 23.87 N -ATOM 2804 CA SER A 153 -14.639 13.900 17.388 1.00 24.91 C -ATOM 2805 C SER A 153 -14.323 14.068 18.865 1.00 31.10 C -ATOM 2806 O SER A 153 -15.143 14.624 19.610 1.00 28.95 O -ATOM 2807 CB SER A 153 -15.639 12.772 17.167 1.00 27.55 C -ATOM 2808 OG SER A 153 -15.089 11.513 17.493 1.00 33.61 O -ATOM 2809 H SER A 153 -13.288 12.803 16.457 1.00 28.67 H -ATOM 2810 HA SER A 153 -15.066 14.722 17.099 1.00 29.92 H -ATOM 2811 HB2 SER A 153 -16.415 12.929 17.727 1.00 33.09 H -ATOM 2812 HB3 SER A 153 -15.900 12.765 16.233 1.00 33.09 H -ATOM 2813 HG SER A 153 -15.611 10.900 17.252 1.00 40.35 H -ATOM 2814 N LYS A 154 -13.152 13.612 19.292 1.00 24.22 N -ATOM 2815 CA LYS A 154 -12.632 13.835 20.625 1.00 23.87 C -ATOM 2816 C LYS A 154 -11.170 14.210 20.465 1.00 24.39 C -ATOM 2817 O LYS A 154 -10.565 13.970 19.416 1.00 23.15 O -ATOM 2818 CB LYS A 154 -12.779 12.589 21.498 1.00 27.36 C -ATOM 2819 CG LYS A 154 -14.243 12.273 21.817 1.00 34.24 C -ATOM 2820 CD LYS A 154 -14.373 11.273 22.945 1.00 49.27 C -ATOM 2821 CE LYS A 154 -15.759 11.320 23.568 1.00 73.65 C -ATOM 2822 NZ LYS A 154 -16.807 10.856 22.623 1.00 88.72 N -ATOM 2823 H LYS A 154 -12.618 13.150 18.801 1.00 29.09 H -ATOM 2824 HA LYS A 154 -13.104 14.555 21.071 1.00 28.67 H -ATOM 2825 HB2 LYS A 154 -12.400 11.828 21.031 1.00 32.85 H -ATOM 2826 HB3 LYS A 154 -12.311 12.732 22.335 1.00 32.85 H -ATOM 2827 HG2 LYS A 154 -14.696 13.089 22.082 1.00 41.11 H -ATOM 2828 HG3 LYS A 154 -14.668 11.899 21.030 1.00 41.11 H -ATOM 2829 HD2 LYS A 154 -14.222 10.378 22.601 1.00 59.14 H -ATOM 2830 HD3 LYS A 154 -13.721 11.477 23.633 1.00 59.14 H -ATOM 2831 HE2 LYS A 154 -15.778 10.744 24.348 1.00 88.40 H -ATOM 2832 HE3 LYS A 154 -15.964 12.233 23.824 1.00 88.40 H -ATOM 2833 HZ1 LYS A 154 -17.605 10.887 23.014 1.00106.48 H -ATOM 2834 HZ2 LYS A 154 -16.818 11.378 21.902 1.00106.48 H -ATOM 2835 HZ3 LYS A 154 -16.641 10.019 22.371 1.00106.48 H -ATOM 2836 N LYS A 155 -10.612 14.827 21.492 1.00 21.41 N -ATOM 2837 CA LYS A 155 -9.228 15.271 21.458 1.00 20.97 C -ATOM 2838 C LYS A 155 -8.330 14.087 21.786 1.00 21.59 C -ATOM 2839 O LYS A 155 -8.441 13.490 22.856 1.00 21.74 O -ATOM 2840 CB LYS A 155 -9.019 16.382 22.482 1.00 25.08 C -ATOM 2841 CG LYS A 155 -7.777 17.195 22.248 1.00 35.15 C -ATOM 2842 CD LYS A 155 -7.967 18.096 21.025 1.00 56.77 C -ATOM 2843 CE LYS A 155 -6.842 19.100 20.862 1.00 52.25 C -ATOM 2844 NZ LYS A 155 -6.183 19.390 22.167 1.00 89.98 N -ATOM 2845 H LYS A 155 -11.017 15.003 22.230 1.00 25.72 H -ATOM 2846 HA LYS A 155 -9.006 15.609 20.576 1.00 25.19 H -ATOM 2847 HB2 LYS A 155 -9.779 16.984 22.448 1.00 30.12 H -ATOM 2848 HB3 LYS A 155 -8.951 15.984 23.364 1.00 30.12 H -ATOM 2849 HG2 LYS A 155 -7.600 17.752 23.021 1.00 42.21 H -ATOM 2850 HG3 LYS A 155 -7.025 16.604 22.085 1.00 42.21 H -ATOM 2851 HD2 LYS A 155 -7.997 17.546 20.227 1.00 68.15 H -ATOM 2852 HD3 LYS A 155 -8.798 18.588 21.120 1.00 68.15 H -ATOM 2853 HE2 LYS A 155 -6.176 18.741 20.256 1.00 62.73 H -ATOM 2854 HE3 LYS A 155 -7.200 19.930 20.509 1.00 62.73 H -ATOM 2855 HZ1 LYS A 155 -5.514 19.966 22.048 1.00108.00 H -ATOM 2856 HZ2 LYS A 155 -6.771 19.744 22.733 1.00108.00 H -ATOM 2857 HZ3 LYS A 155 -5.859 18.639 22.518 1.00108.00 H -ATOM 2858 N AILE A 156 -7.477 13.728 20.840 0.71 17.82 N -ATOM 2859 CA AILE A 156 -6.607 12.565 20.931 0.71 17.13 C -ATOM 2860 C AILE A 156 -5.208 13.091 21.216 0.71 17.96 C -ATOM 2861 O AILE A 156 -4.587 13.716 20.346 0.71 16.27 O -ATOM 2862 CB AILE A 156 -6.634 11.778 19.615 0.71 17.75 C -ATOM 2863 CG1AILE A 156 -8.073 11.503 19.162 0.71 21.05 C -ATOM 2864 CG2AILE A 156 -5.852 10.482 19.763 0.71 21.21 C -ATOM 2865 CD1AILE A 156 -8.919 10.768 20.168 0.71 24.00 C -ATOM 2866 H AILE A 156 -7.380 14.160 20.103 0.71 21.41 H -ATOM 2867 HA AILE A 156 -6.883 11.986 21.658 0.71 20.58 H -ATOM 2868 HB AILE A 156 -6.211 12.319 18.930 0.71 21.33 H -ATOM 2869 HG12AILE A 156 -8.506 12.352 18.980 0.71 25.28 H -ATOM 2870 HG13AILE A 156 -8.045 10.965 18.355 0.71 25.28 H -ATOM 2871 HG21AILE A 156 -5.922 9.975 18.939 0.71 25.48 H -ATOM 2872 HG22AILE A 156 -4.923 10.693 19.945 0.71 25.48 H -ATOM 2873 HG23AILE A 156 -6.225 9.971 20.499 0.71 25.48 H -ATOM 2874 HD11AILE A 156 -9.786 10.581 19.774 0.71 28.82 H -ATOM 2875 HD12AILE A 156 -8.477 9.938 20.405 0.71 28.82 H -ATOM 2876 HD13AILE A 156 -9.026 11.324 20.956 0.71 28.82 H -ATOM 2877 N BILE A 156 -7.387 13.778 20.906 0.29 17.66 N -ATOM 2878 CA BILE A 156 -6.447 12.679 21.112 0.29 17.24 C -ATOM 2879 C BILE A 156 -5.072 13.279 21.380 0.29 16.48 C -ATOM 2880 O BILE A 156 -4.595 14.113 20.597 0.29 18.66 O -ATOM 2881 CB BILE A 156 -6.444 11.736 19.897 0.29 19.73 C -ATOM 2882 CG1BILE A 156 -7.845 11.141 19.705 0.29 21.10 C -ATOM 2883 CG2BILE A 156 -5.420 10.622 20.069 0.29 17.20 C -ATOM 2884 CD1BILE A 156 -8.017 10.341 18.453 0.29 27.83 C -ATOM 2885 H BILE A 156 -7.267 14.200 20.166 0.29 21.21 H -ATOM 2886 HA BILE A 156 -6.694 12.160 21.893 0.29 20.71 H -ATOM 2887 HB BILE A 156 -6.200 12.250 19.111 0.29 23.69 H -ATOM 2888 HG12BILE A 156 -8.037 10.556 20.455 0.29 25.34 H -ATOM 2889 HG13BILE A 156 -8.488 11.868 19.679 0.29 25.34 H -ATOM 2890 HG21BILE A 156 -5.423 10.065 19.276 0.29 20.66 H -ATOM 2891 HG22BILE A 156 -4.542 11.017 20.192 0.29 20.66 H -ATOM 2892 HG23BILE A 156 -5.656 10.093 20.847 0.29 20.66 H -ATOM 2893 HD11BILE A 156 -8.927 10.007 18.415 0.29 33.42 H -ATOM 2894 HD12BILE A 156 -7.841 10.911 17.688 0.29 33.42 H -ATOM 2895 HD13BILE A 156 -7.392 9.600 18.464 0.29 33.42 H -ATOM 2896 N ATHR A 157 -4.692 12.847 22.409 0.71 17.22 N -ATOM 2897 CA ATHR A 157 -3.423 13.415 22.815 0.71 15.94 C -ATOM 2898 C ATHR A 157 -2.394 12.355 23.184 0.71 16.35 C -ATOM 2899 O ATHR A 157 -2.705 11.195 23.482 0.71 16.42 O -ATOM 2900 CB ATHR A 157 -3.558 14.421 23.965 0.71 21.38 C -ATOM 2901 OG1ATHR A 157 -4.051 13.760 25.131 0.71 19.30 O -ATOM 2902 CG2ATHR A 157 -4.523 15.536 23.583 0.71 24.08 C -ATOM 2903 H ATHR A 157 -5.063 12.351 23.005 0.71 20.68 H -ATOM 2904 HA ATHR A 157 -3.079 13.885 22.039 0.71 19.15 H -ATOM 2905 HB ATHR A 157 -2.690 14.810 24.155 0.71 25.68 H -ATOM 2906 HG1ATHR A 157 -4.786 13.389 24.962 0.71 23.19 H -ATOM 2907 HG21ATHR A 157 -4.613 16.162 24.318 0.71 28.91 H -ATOM 2908 HG22ATHR A 157 -4.191 16.010 22.804 0.71 28.91 H -ATOM 2909 HG23ATHR A 157 -5.395 15.164 23.377 0.71 28.91 H -ATOM 2910 N BTHR A 157 -4.440 12.862 22.483 0.29 15.89 N -ATOM 2911 CA BTHR A 157 -3.208 13.471 22.966 0.29 17.37 C -ATOM 2912 C BTHR A 157 -2.180 12.429 23.393 0.29 15.56 C -ATOM 2913 O BTHR A 157 -2.523 11.380 23.946 0.29 15.75 O -ATOM 2914 CB BTHR A 157 -3.496 14.396 24.157 0.29 20.75 C -ATOM 2915 OG1BTHR A 157 -4.256 15.528 23.716 0.29 25.21 O -ATOM 2916 CG2BTHR A 157 -2.208 14.869 24.789 0.29 24.84 C -ATOM 2917 H BTHR A 157 -4.716 12.213 22.975 0.29 19.09 H -ATOM 2918 HA BTHR A 157 -2.814 13.968 22.233 0.29 20.87 H -ATOM 2919 HB BTHR A 157 -4.002 13.910 24.827 0.29 24.92 H -ATOM 2920 HG1BTHR A 157 -4.376 16.060 24.355 0.29 30.28 H -ATOM 2921 HG21BTHR A 157 -2.379 15.642 25.350 0.29 29.84 H -ATOM 2922 HG22BTHR A 157 -1.827 14.163 25.334 0.29 29.84 H -ATOM 2923 HG23BTHR A 157 -1.571 15.114 24.100 0.29 29.84 H -ATOM 2924 N AILE A 158 -1.144 12.791 23.135 0.71 15.52 N -ATOM 2925 CA AILE A 158 -0.014 12.034 23.641 0.71 15.79 C -ATOM 2926 C AILE A 158 0.185 12.481 25.086 0.71 17.50 C -ATOM 2927 O AILE A 158 0.744 13.546 25.355 0.71 17.02 O -ATOM 2928 CB AILE A 158 1.219 12.263 22.772 0.71 14.32 C -ATOM 2929 CG1AILE A 158 0.921 11.868 21.324 0.71 16.95 C -ATOM 2930 CG2AILE A 158 2.396 11.464 23.316 0.71 19.88 C -ATOM 2931 CD1AILE A 158 1.976 12.336 20.321 0.71 19.66 C -ATOM 2932 H AILE A 158 -0.918 13.550 22.800 0.71 18.64 H -ATOM 2933 HA AILE A 158 -0.205 11.083 23.646 0.71 18.97 H -ATOM 2934 HB AILE A 158 1.448 13.206 22.792 0.71 17.21 H -ATOM 2935 HG12AILE A 158 0.871 10.901 21.270 0.71 20.36 H -ATOM 2936 HG13AILE A 158 0.072 12.259 21.063 0.71 20.36 H -ATOM 2937 HG21AILE A 158 3.153 11.571 22.719 0.71 23.88 H -ATOM 2938 HG22AILE A 158 2.621 11.796 24.199 0.71 23.88 H -ATOM 2939 HG23AILE A 158 2.145 10.529 23.369 0.71 23.88 H -ATOM 2940 HD11AILE A 158 1.745 12.001 19.441 0.71 23.61 H -ATOM 2941 HD12AILE A 158 1.995 13.305 20.312 0.71 23.61 H -ATOM 2942 HD13AILE A 158 2.841 11.990 20.590 0.71 23.61 H -ATOM 2943 N BILE A 158 -0.910 12.736 23.136 0.29 16.47 N -ATOM 2944 CA BILE A 158 0.211 11.967 23.666 0.29 15.71 C -ATOM 2945 C BILE A 158 0.407 12.347 25.126 0.29 15.15 C -ATOM 2946 O BILE A 158 1.215 13.230 25.445 0.29 18.23 O -ATOM 2947 CB BILE A 158 1.490 12.233 22.855 0.29 17.75 C -ATOM 2948 CG1BILE A 158 1.278 11.844 21.395 0.29 17.25 C -ATOM 2949 CG2BILE A 158 2.666 11.468 23.451 0.29 20.03 C -ATOM 2950 CD1BILE A 158 2.482 12.087 20.503 0.29 12.89 C -ATOM 2951 H BILE A 158 -0.667 13.401 22.647 0.29 19.79 H -ATOM 2952 HA BILE A 158 0.009 11.020 23.613 0.29 18.88 H -ATOM 2953 HB BILE A 158 1.691 13.181 22.896 0.29 21.33 H -ATOM 2954 HG12BILE A 158 1.069 10.897 21.354 0.29 20.73 H -ATOM 2955 HG13BILE A 158 0.540 12.362 21.040 0.29 20.73 H -ATOM 2956 HG21BILE A 158 3.459 11.647 22.922 0.29 24.06 H -ATOM 2957 HG22BILE A 158 2.804 11.763 24.364 0.29 24.06 H -ATOM 2958 HG23BILE A 158 2.465 10.519 23.436 0.29 24.06 H -ATOM 2959 HD11BILE A 158 2.242 11.883 19.586 0.29 15.49 H -ATOM 2960 HD12BILE A 158 2.747 13.018 20.577 0.29 15.49 H -ATOM 2961 HD13BILE A 158 3.209 11.513 20.790 0.29 15.49 H -ATOM 2962 N ALA A 159 -0.337 11.693 26.023 1.00 16.57 N -ATOM 2963 CA ALA A 159 -0.270 12.068 27.433 1.00 17.88 C -ATOM 2964 C ALA A 159 1.124 11.872 28.003 1.00 18.84 C -ATOM 2965 O ALA A 159 1.556 12.630 28.880 1.00 22.99 O -ATOM 2966 CB ALA A 159 -1.278 11.244 28.224 1.00 20.73 C -ATOM 2967 HA ALA A 159 -0.498 13.007 27.521 1.00 21.48 H -ATOM 2968 HB1 ALA A 159 -1.202 11.470 29.165 1.00 24.90 H -ATOM 2969 HB2 ALA A 159 -2.171 11.448 27.906 1.00 24.90 H -ATOM 2970 HB3 ALA A 159 -1.087 10.302 28.094 1.00 24.90 H -ATOM 2971 H AALA A 159 -0.731 10.944 25.872 0.71 19.91 H -ATOM 2972 H BALA A 159 -0.873 11.045 25.845 0.29 19.91 H -ATOM 2973 N ASP A 160 1.857 10.871 27.527 1.00 16.75 N -ATOM 2974 CA ASP A 160 3.239 10.663 27.923 1.00 18.19 C -ATOM 2975 C ASP A 160 3.941 9.962 26.775 1.00 16.89 C -ATOM 2976 O ASP A 160 3.310 9.351 25.909 1.00 16.83 O -ATOM 2977 CB ASP A 160 3.342 9.821 29.212 1.00 19.58 C -ATOM 2978 CG ASP A 160 4.688 9.947 29.910 1.00 22.09 C -ATOM 2979 OD1 ASP A 160 5.508 10.806 29.567 1.00 23.96 O -ATOM 2980 OD2 ASP A 160 4.912 9.131 30.837 1.00 32.92 O -ATOM 2981 H ASP A 160 1.570 10.289 26.962 1.00 20.12 H -ATOM 2982 HA ASP A 160 3.670 11.516 28.093 1.00 21.85 H -ATOM 2983 HB2 ASP A 160 2.657 10.113 29.833 1.00 23.52 H -ATOM 2984 HB3 ASP A 160 3.210 8.887 28.988 1.00 23.52 H -ATOM 2985 N CYS A 161 5.254 10.090 26.755 1.00 16.77 N -ATOM 2986 CA CYS A 161 6.058 9.439 25.736 1.00 17.75 C -ATOM 2987 C CYS A 161 7.499 9.367 26.203 1.00 16.94 C -ATOM 2988 O CYS A 161 7.931 10.111 27.088 1.00 21.87 O -ATOM 2989 CB CYS A 161 5.952 10.164 24.382 1.00 17.20 C -ATOM 2990 SG CYS A 161 6.198 11.962 24.393 1.00 19.46 S -ATOM 2991 H CYS A 161 5.708 10.551 27.322 1.00 20.14 H -ATOM 2992 HA CYS A 161 5.741 8.530 25.618 1.00 21.33 H -ATOM 2993 HB2 CYS A 161 6.622 9.790 23.788 1.00 20.66 H -ATOM 2994 HB3 CYS A 161 5.065 10.002 24.024 1.00 20.66 H -ATOM 2995 HG CYS A 161 7.314 12.202 24.763 1.00 23.37 H -ATOM 2996 N GLY A 162 8.241 8.468 25.582 1.00 20.66 N -ATOM 2997 CA GLY A 162 9.626 8.297 25.947 1.00 20.97 C -ATOM 2998 C GLY A 162 10.211 7.087 25.258 1.00 21.52 C -ATOM 2999 O GLY A 162 9.631 6.533 24.327 1.00 21.45 O -ATOM 3000 H GLY A 162 7.965 7.951 24.953 1.00 24.81 H -ATOM 3001 HA2 GLY A 162 10.134 9.081 25.685 1.00 25.19 H -ATOM 3002 HA3 GLY A 162 9.701 8.178 26.906 1.00 25.19 H -ATOM 3003 N GLN A 163 11.374 6.687 25.748 1.00 24.18 N -ATOM 3004 CA GLN A 163 12.123 5.588 25.164 1.00 23.27 C -ATOM 3005 C GLN A 163 12.037 4.372 26.079 1.00 26.21 C -ATOM 3006 O GLN A 163 12.163 4.501 27.305 1.00 31.85 O -ATOM 3007 CB GLN A 163 13.569 6.019 24.946 1.00 25.02 C -ATOM 3008 CG GLN A 163 14.400 5.014 24.220 1.00 27.80 C -ATOM 3009 CD GLN A 163 15.684 5.599 23.676 1.00 24.54 C -ATOM 3010 OE1 GLN A 163 15.953 6.790 23.821 1.00 27.20 O -ATOM 3011 NE2 GLN A 163 16.487 4.753 23.053 1.00 30.61 N -ATOM 3012 H GLN A 163 11.756 7.044 26.430 1.00 29.04 H -ATOM 3013 HA GLN A 163 11.744 5.326 24.310 1.00 27.95 H -ATOM 3014 HB2 GLN A 163 13.574 6.837 24.425 1.00 30.05 H -ATOM 3015 HB3 GLN A 163 13.982 6.173 25.810 1.00 30.05 H -ATOM 3016 HG2 GLN A 163 14.633 4.296 24.829 1.00 33.38 H -ATOM 3017 HG3 GLN A 163 13.891 4.663 23.473 1.00 33.38 H -ATOM 3018 HE21 GLN A 163 17.232 5.030 22.724 1.00 36.76 H -ATOM 3019 HE22 GLN A 163 16.265 3.925 22.978 1.00 36.76 H -ATOM 3020 N LEU A 164 11.790 3.208 25.484 1.00 26.11 N -ATOM 3021 CA LEU A 164 11.824 1.933 26.200 1.00 28.20 C -ATOM 3022 C LEU A 164 13.158 1.235 25.941 1.00 34.74 C -ATOM 3023 O LEU A 164 13.750 0.694 26.878 1.00 48.89 O -ATOM 3024 CB LEU A 164 10.686 1.028 25.747 1.00 31.34 C -ATOM 3025 CG LEU A 164 9.263 1.458 26.087 1.00 36.44 C -ATOM 3026 CD1 LEU A 164 8.270 0.466 25.508 1.00 37.69 C -ATOM 3027 CD2 LEU A 164 9.068 1.586 27.582 1.00 39.04 C -ATOM 3028 H LEU A 164 11.596 3.127 24.650 1.00 31.36 H -ATOM 3029 HA LEU A 164 11.718 2.093 27.150 1.00 33.87 H -ATOM 3030 HB2 LEU A 164 10.733 0.953 24.781 1.00 37.63 H -ATOM 3031 HB3 LEU A 164 10.820 0.157 26.154 1.00 37.63 H -ATOM 3032 HG LEU A 164 9.100 2.330 25.696 1.00 43.75 H -ATOM 3033 HD11 LEU A 164 7.373 0.732 25.764 1.00 45.25 H -ATOM 3034 HD12 LEU A 164 8.352 0.465 24.542 1.00 45.25 H -ATOM 3035 HD13 LEU A 164 8.466 -0.417 25.858 1.00 45.25 H -ATOM 3036 HD21 LEU A 164 8.149 1.841 27.759 1.00 46.87 H -ATOM 3037 HD22 LEU A 164 9.262 0.733 28.000 1.00 46.87 H -ATOM 3038 HD23 LEU A 164 9.671 2.266 27.921 1.00 46.87 H -TER -HETATM 3039 O HOH A 166 10.332 16.592 2.777 1.00 16.45 O -HETATM 3040 O HOH A 167 14.332 12.529 6.191 1.00 17.12 O -HETATM 3041 O HOH A 168 -0.340 17.550 15.758 1.00 18.18 O -HETATM 3042 O HOH A 169 9.608 13.057 4.027 1.00 17.58 O -HETATM 3043 O HOH A 170 9.838 14.735 -0.417 1.00 18.55 O -HETATM 3044 O HOH A 171 13.623 5.059 4.330 1.00 20.25 O -HETATM 3045 O HOH A 172 9.104 6.216 0.654 1.00 19.08 O -HETATM 3046 O HOH A 173 7.342 16.871 9.241 1.00 18.66 O -HETATM 3047 O HOH A 174 -0.375 19.490 19.375 1.00 20.58 O -HETATM 3048 O HOH A 175 -7.366 15.231 18.320 1.00 21.17 O -HETATM 3049 O HOH A 176 1.194 14.783 18.136 1.00 20.01 O -HETATM 3050 O HOH A 177 8.373 14.948 24.600 1.00 21.57 O -HETATM 3051 O HOH A 178 6.621 19.871 11.294 1.00 23.66 O -HETATM 3052 O HOH A 179 13.430 14.639 -2.053 1.00 22.07 O -HETATM 3053 O HOH A 180 1.683 2.143 4.328 1.00 22.81 O -HETATM 3054 O HOH A 181 17.112 14.751 -0.045 1.00 21.37 O -HETATM 3055 O HOH A 182 -4.808 25.114 16.819 1.00 23.80 O -HETATM 3056 O HOH A 183 13.798 16.878 22.369 1.00 25.91 O -HETATM 3057 O HOH A 184 -6.857 13.848 25.303 1.00 23.98 O -HETATM 3058 O HOH A 185 4.671 0.293 -0.996 1.00 26.16 O -HETATM 3059 O HOH A 186 2.746 32.581 16.475 1.00 25.36 O -HETATM 3060 O HOH A 187 -1.801 11.214 0.100 1.00 25.30 O -HETATM 3061 O HOH A 188 -2.196 -5.739 22.216 1.00 27.40 O -HETATM 3062 O HOH A 189 -2.348 18.489 8.505 1.00 30.01 O -HETATM 3063 O HOH A 190 -9.827 13.614 3.456 1.00 28.02 O -HETATM 3064 O HOH A 191 0.326 -5.318 20.978 1.00 29.12 O -HETATM 3065 O HOH A 192 2.339 15.528 4.461 1.00 26.34 O -HETATM 3066 O HOH A 193 -9.030 17.318 14.558 1.00 30.27 O -HETATM 3067 O HOH A 194 7.466 20.774 23.516 1.00 28.90 O -HETATM 3068 O HOH A 195 18.484 7.210 17.193 1.00 32.62 O -HETATM 3069 O HOH A 196 -11.752 10.925 3.121 1.00 25.97 O -HETATM 3070 O HOH A 197 3.754 16.908 0.611 1.00 29.12 O -HETATM 3071 O HOH A 198 8.767 17.498 25.701 1.00 33.31 O -HETATM 3072 O HOH A 199 12.231 9.397 -4.676 1.00 29.48 O -HETATM 3073 O HOH A 200 19.857 7.333 14.816 1.00 31.89 O -HETATM 3074 O HOH A 201 8.683 -0.691 4.914 1.00 36.13 O -HETATM 3075 O HOH A 202 4.352 19.276 23.212 1.00 31.42 O -HETATM 3076 O HOH A 203 12.379 8.311 28.004 1.00 31.15 O -HETATM 3077 O HOH A 204 10.274 -1.426 2.418 1.00 34.09 O -HETATM 3078 O HOH A 205 -2.826 28.251 11.978 1.00 37.98 O -HETATM 3079 O HOH A 206 -16.940 10.875 8.283 1.00 33.32 O -HETATM 3080 O HOH A 207 16.949 6.627 -1.547 1.00 33.16 O -HETATM 3081 O HOH A 208 5.173 9.024 -4.983 1.00 39.13 O -HETATM 3082 O HOH A 209 20.910 7.556 3.805 1.00 35.46 O -HETATM 3083 O HOH A 210 -7.915 -2.843 22.146 1.00 37.99 O -HETATM 3084 O HOH A 211 -4.189 -1.668 2.838 1.00 41.05 O -HETATM 3085 O HOH A 212 8.619 13.186 26.960 1.00 31.23 O -HETATM 3086 O HOH A 213 -12.238 3.507 19.912 1.00 35.85 O -HETATM 3087 O HOH A 214 10.969 22.337 -0.900 1.00 35.99 O -HETATM 3088 O HOH A 215 20.726 12.977 5.376 1.00 37.57 O -HETATM 3089 O HOH A 216 5.827 26.838 14.795 1.00 44.62 O -HETATM 3090 O HOH A 217 -10.218 1.112 13.271 1.00 40.90 O -HETATM 3091 O HOH A 218 -5.291 -0.746 10.218 1.00 46.64 O -HETATM 3092 O HOH A 219 -7.549 18.068 17.835 1.00 40.25 O -HETATM 3093 O HOH A 220 0.151 19.248 7.664 1.00 41.66 O -HETATM 3094 O HOH A 221 -18.198 8.172 3.648 1.00 43.72 O -HETATM 3095 O HOH A 222 1.031 -4.380 17.472 1.00 38.20 O -HETATM 3096 O HOH A 223 21.715 8.566 6.370 1.00 36.60 O -HETATM 3097 O HOH A 224 -8.934 -1.967 19.460 1.00 40.68 O -HETATM 3098 O HOH A 225 2.027 14.036 0.000 1.00 39.31 O -HETATM 3099 O HOH A 226 -2.895 18.867 22.903 1.00 45.18 O -HETATM 3100 O HOH A 227 2.303 34.390 14.428 1.00 39.84 O -HETATM 3101 O HOH A 228 -6.820 25.753 13.917 1.00 43.04 O -HETATM 3102 O HOH A 229 0.776 15.310 29.119 1.00 41.72 O -HETATM 3103 O HOH A 230 20.192 19.321 9.034 1.00 45.72 O -HETATM 3104 O HOH A 231 15.963 21.046 4.245 1.00 38.21 O -HETATM 3105 O HOH A 232 -8.717 2.525 2.929 1.00 36.33 O -HETATM 3106 O HOH A 233 18.606 20.446 5.822 1.00 37.81 O -HETATM 3107 O HOH A 234 4.783 -7.176 19.453 1.00 44.15 O -HETATM 3108 O HOH A 235 20.822 3.730 5.080 1.00 41.19 O -HETATM 3109 O HOH A 236 19.699 5.489 18.957 1.00 43.04 O -HETATM 3110 O HOH A 237 18.235 21.408 8.905 1.00 37.34 O -HETATM 3111 O HOH A 238 -8.562 0.849 26.284 1.00 42.43 O -HETATM 3112 O HOH A 239 6.618 1.687 -4.599 1.00 41.44 O -HETATM 3113 O HOH A 240 6.990 2.029 31.242 1.00 47.42 O -HETATM 3114 O HOH A 241 15.992 26.551 11.234 1.00 47.87 O -HETATM 3115 O HOH A 242 0.515 7.746 30.929 1.00 45.00 O -HETATM 3116 O HOH A 243 3.549 6.774 31.087 1.00 43.87 O -HETATM 3117 O HOH A 244 -6.230 20.872 11.445 1.00 43.92 O -HETATM 3118 O HOH A 245 -7.264 16.377 26.061 1.00 40.49 O -HETATM 3119 O HOH A 246 -5.018 2.274 0.681 1.00 45.10 O -HETATM 3120 O HOH A 247 -3.048 14.566 27.412 1.00 41.08 O -HETATM 3121 O HOH A 248 -15.460 10.070 14.858 1.00 41.59 O -HETATM 3122 O HOH A 249 20.404 13.991 19.214 1.00 45.60 O -HETATM 3123 O HOH A 250 -13.028 9.841 26.577 1.00 43.64 O -HETATM 3124 O HOH A 251 6.421 18.828 25.596 1.00 44.23 O -HETATM 3125 O HOH A 252 -0.596 12.425 2.218 1.00 40.38 O -HETATM 3126 O HOH A 253 14.964 23.271 16.242 1.00 43.26 O -HETATM 3127 O HOH A 254 5.926 19.162 8.351 1.00 40.42 O -HETATM 3128 O HOH A 255 21.499 12.699 13.885 1.00 36.20 O -HETATM 3129 O HOH A 256 15.734 13.120 -2.263 1.00 28.36 O -HETATM 3130 O HOH A 257 -1.695 -5.300 18.455 1.00 44.59 O -HETATM 3131 O HOH A 258 4.881 -1.045 24.863 1.00 39.33 O -HETATM 3132 O HOH A 259 19.010 5.233 21.773 1.00 45.71 O -HETATM 3133 O HOH A 260 -12.182 2.430 11.757 1.00 49.29 O -HETATM 3134 O HOH A 261 -16.060 14.222 7.700 1.00 43.50 O -HETATM 3135 O HOH A 262 -11.932 2.878 22.407 1.00 52.83 O -HETATM 3136 O HOH A 263 9.335 -2.973 0.533 1.00 47.55 O -HETATM 3137 O HOH A 264 15.205 1.969 23.060 1.00 28.57 O -HETATM 3138 O HOH A 265 3.374 30.006 15.340 1.00 36.21 O -HETATM 3139 O HOH A 266 1.182 10.994 -4.263 1.00 46.22 O -HETATM 3140 O HOH A 267 3.828 -3.544 6.451 1.00 46.98 O -HETATM 3141 O HOH A 268 6.940 20.401 6.337 1.00 43.97 O -HETATM 3142 O HOH A 269 20.606 0.506 15.058 1.00 45.65 O -HETATM 3143 O HOH A 270 1.983 -3.757 7.792 1.00 50.24 O -HETATM 3144 O HOH A 271 -7.798 1.004 8.739 1.00 49.20 O -HETATM 3145 O HOH A 272 11.402 5.957 2.849 1.00 17.35 O -HETATM 3146 O HOH A 273 -14.150 4.846 12.172 1.00 50.24 O -HETATM 3147 O HOH A 274 -7.775 18.023 10.865 1.00 38.22 O -HETATM 3148 O HOH A 275 14.990 21.068 -1.944 1.00 24.26 O -HETATM 3149 O HOH A 276 -15.961 15.650 10.378 1.00 37.93 O -HETATM 3150 O HOH A 277 22.244 11.426 7.177 1.00 44.34 O -HETATM 3151 O HOH A 278 12.576 6.923 -4.645 1.00 46.38 O -HETATM 3152 O HOH A 279 -15.243 14.386 13.611 1.00 39.47 O -HETATM 3153 O HOH A 280 -8.952 -0.929 23.930 1.00 54.73 O -HETATM 3154 O HOH A 281 -13.437 16.977 22.849 1.00 47.77 O -HETATM 3155 O HOH A 282 -6.341 23.074 18.083 1.00 44.12 O -HETATM 3156 O HOH A 283 4.100 36.830 13.986 1.00 46.96 O -HETATM 3157 O HOH A 284 7.809 -2.818 22.967 1.00 57.51 O -HETATM 3158 O HOH A 285 -12.741 7.205 6.164 1.00 38.56 O -HETATM 3159 O HOH A 286 -14.757 7.616 7.959 1.00 41.55 O -HETATM 3160 O HOH A 287 14.901 -1.113 21.221 1.00 46.76 O -HETATM 3161 O HOH A 288 10.070 27.132 8.946 1.00 63.15 O -HETATM 3162 O HOH A 289 0.009 -4.689 3.486 1.00 50.19 O -HETATM 3163 O HOH A 290 7.148 24.196 1.292 1.00 46.85 O -HETATM 3164 O HOH A 291 19.367 10.503 -0.200 1.00 52.66 O -HETATM 3165 O HOH A 292 4.505 -2.516 9.952 1.00 50.88 O -HETATM 3166 O HOH A 293 3.467 -2.697 12.372 1.00 36.81 O -HETATM 3167 O HOH A 294 -2.055 18.433 26.366 1.00 45.57 O -HETATM 3168 O HOH A 295 24.479 6.009 12.456 1.00 51.32 O -HETATM 3169 O HOH A 296 15.830 24.716 8.774 1.00 41.91 O -HETATM 3170 O HOH A 297 13.079 -1.477 1.102 1.00 48.10 O -END