Commit 8f1754a8 authored by NOEL Philippe's avatar NOEL Philippe

Add PDB writer

parent 32e67797
......@@ -7,6 +7,8 @@
mod pdb;
pub use self::pdb::read_pdb::parse_pdb as parse_pdb;
pub use self::pdb::write_pdb::write_pdb;
pub use self::pdb::protein::Protein;
pub use self::pdb::atom::Atom;
......
......@@ -3,12 +3,18 @@ extern crate pdbparser;
use pdbparser::*;
fn main() {
let my_prot = parse_pdb("tests/tests_file/5jpq.pdb", "5jpq");
let my_prot = parse_pdb("tests/tests_file/f2.pdb", "5jpq");
match write_pdb(&my_prot, "toto.pdb"){
Ok(_) => (),
Err(e) => println!("Error : {}", e),
};
// println!("Prot : {} \nn chain: {}\nn res: {}\nn atom: {}", my_prot.name, my_prot.get_number_chain(), my_prot.get_number_residue(), my_prot.get_number_atom());
// println!("Reduce protein");
// let chain_a = my_prot.select_atoms("chain a").unwrap();
// println!("Prot : {} \nn chain: {}\nn res: {}\nn atom: {}", chain_a.name, chain_a.get_number_chain(), chain_a.get_number_residue(), chain_a.get_number_atom());
println!("Prot : {} \nn chain: {}\nn res: {}\nn atom: {}", my_prot.name, my_prot.get_number_chain(), my_prot.get_number_residue(), my_prot.get_number_atom());
println!("Reduce protein");
let chain_a = my_prot.select_atoms("chain a").unwrap();
println!("Prot : {} \nn chain: {}\nn res: {}\nn atom: {}", chain_a.name, chain_a.get_number_chain(), chain_a.get_number_residue(), chain_a.get_number_atom());
}
......@@ -40,7 +40,7 @@ impl Atom {
/// Get the name of the atom
///
pub fn name(self) -> String{
pub fn name(&self) -> String{
self.name.clone()
}
......
......@@ -3,5 +3,6 @@ pub mod protein;
pub mod residue;
pub mod read_pdb;
pub mod chain;
pub mod write_pdb;
mod selection_atom;
\ No newline at end of file
......@@ -40,7 +40,7 @@ impl Residue {
self.name.clone()
}
/// Get the number of the residue
/// Get the residue ID of the residue
///
pub fn get_res_num(&self) -> u64 {
self.res_num
......
use super::protein::Protein;
use std::fs::File;
use std::io::Write;
use std::io;
/// Write a PDB file for the `Protein`.
/// Be careful, the protein is write with the atom numbers in its structure. Remind to use the method
/// my_protein.refine_numerotation() before !
pub fn write_pdb(my_prot: &Protein, file: &str) -> io::Result<()>{
let mut output_pdb = File::create(file)?;
for chain in &my_prot.lst_chain {
let chain_name = chain.get_name();
for residue in &chain.lst_res {
let res_name = residue.name();
let res_id = residue.get_res_num();
for atom in &residue.lst_atom {
let atom_name = atom.name();
let atom_id = atom.number;
let atom_coord = atom.coord;
output_pdb.write_fmt(format_args!("ATOM {:>5} {:<4}{:>3} {}{:>4} {:>8.3}{:>8.3}{:>8.3}{:>6.2}{:>6.2}\n",
atom_id,
atom_name,
res_name,
chain_name,
res_id,
atom_coord[0],
atom_coord[1],
atom_coord[2],
1.0, 0.0
))?;
}
}
}
Ok(())
}
\ No newline at end of file
CRYST1 80.000 80.000 80.000 90.00 90.00 90.00 P 1 1
ATOM 1 N THR A 1 -24.780 11.743 2.369 1.00 0.00
ATOM 2 HT1 THR A 1 -25.027 10.776 2.302 1.00 0.00
ATOM 3 HT2 THR A 1 -24.956 12.201 1.498 1.00 0.00
ATOM 4 HT3 THR A 1 -25.308 12.181 3.097 1.00 0.00
ATOM 5 CA THR A 1 -23.359 11.849 2.683 1.00 0.00
ATOM 6 HA THR A 1 -23.178 11.368 3.644 1.00 0.00
ATOM 7 CB THR A 1 -22.499 11.151 1.614 1.00 0.00
ATOM 8 HB THR A 1 -21.453 11.172 1.913 1.00 0.00
ATOM 9 OG1 THR A 1 -22.640 11.841 0.366 1.00 0.00
ATOM 10 HG1 THR A 1 -22.313 12.740 0.461 1.00 0.00
ATOM 11 CG2 THR A 1 -22.939 9.706 1.443 1.00 0.00
ATOM 12 HG21 THR A 1 -22.323 9.225 0.683 1.00 0.00
ATOM 13 HG22 THR A 1 -22.824 9.177 2.390 1.00 0.00
ATOM 14 HG23 THR A 1 -23.983 9.676 1.136 1.00 0.00
ATOM 15 C THR A 1 -22.934 13.308 2.795 1.00 0.00
ATOM 16 O THR A 1 -23.752 14.215 2.625 1.00 0.00
ATOM 17 N SER A 2 -21.656 13.525 3.093 1.00 0.00
ATOM 18 HN SER A 2 -20.990 12.795 3.249 1.00 0.00
ATOM 19 CA SER A 2 -21.109 14.869 3.220 1.00 0.00
ATOM 20 HA SER A 2 -21.808 15.454 3.812 1.00 0.00
ATOM 21 CB SER A 2 -19.781 14.810 3.947 1.00 0.00
ATOM 22 HB1 SER A 2 -19.449 15.815 4.194 1.00 0.00
ATOM 23 HB2 SER A 2 -19.909 14.272 4.886 1.00 0.00
ATOM 24 OG SER A 2 -18.812 14.169 3.166 1.00 0.00
ATOM 25 HG1 SER A 2 -18.743 14.684 2.357 1.00 0.00
ATOM 26 C SER A 2 -20.928 15.518 1.836 1.00 0.00
ATOM 27 O SER A 2 -20.873 14.805 0.832 1.00 0.00
ATOM 28 N PRO A 3 -20.841 16.856 1.769 1.00 0.00
ATOM 29 CD PRO A 3 -21.170 17.685 2.947 1.00 0.00
ATOM 30 HD1 PRO A 3 -20.324 17.714 3.648 1.00 0.00
ATOM 31 HD2 PRO A 3 -22.094 17.336 3.427 1.00 0.00
ATOM 32 CA PRO A 3 -20.622 17.680 0.581 1.00 0.00
ATOM 33 HA PRO A 3 -21.470 17.541 -0.109 1.00 0.00
ATOM 34 CB PRO A 3 -20.603 19.109 1.133 1.00 0.00
ATOM 35 HB1 PRO A 3 -19.567 19.424 1.322 1.00 0.00
ATOM 36 HB2 PRO A 3 -21.016 19.805 0.388 1.00 0.00
ATOM 37 CG PRO A 3 -21.425 19.047 2.371 1.00 0.00
ATOM 38 HG1 PRO A 3 -21.135 19.856 3.058 1.00 0.00
ATOM 39 HG2 PRO A 3 -22.486 19.208 2.127 1.00 0.00
ATOM 40 C PRO A 3 -19.314 17.341 -0.115 1.00 0.00
ATOM 41 O PRO A 3 -18.332 16.981 0.542 1.00 0.00
ATOM 42 N GLN A 4 -19.296 17.485 -1.440 1.00 0.00
ATOM 43 HN GLN A 4 -20.069 17.766 -2.006 1.00 0.00
ATOM 44 CA GLN A 4 -18.074 17.224 -2.179 1.00 0.00
ATOM 45 HA GLN A 4 -17.714 16.234 -1.901 1.00 0.00
ATOM 46 CB GLN A 4 -18.312 17.213 -3.699 1.00 0.00
ATOM 47 HB1 GLN A 4 -18.846 18.097 -4.024 1.00 0.00
ATOM 48 HB2 GLN A 4 -17.351 17.205 -4.212 1.00 0.00
ATOM 49 CG GLN A 4 -19.115 16.035 -4.205 1.00 0.00
ATOM 50 HG1 GLN A 4 -18.565 15.116 -4.003 1.00 0.00
ATOM 51 HG2 GLN A 4 -20.081 16.016 -3.699 1.00 0.00
ATOM 52 CD GLN A 4 -19.362 16.126 -5.698 1.00 0.00
ATOM 53 OE1 GLN A 4 -18.817 17.000 -6.382 1.00 0.00
ATOM 54 NE2 GLN A 4 -20.186 15.222 -6.216 1.00 0.00
ATOM 55 HE21 GLN A 4 -20.389 15.232 -7.196 1.00 0.00
ATOM 56 HE22 GLN A 4 -20.606 14.532 -5.625 1.00 0.00
ATOM 57 C GLN A 4 -16.970 18.233 -1.809 1.00 0.00
ATOM 58 O GLN A 4 -15.856 17.792 -1.532 1.00 0.00
ATOM 59 N PRO A 5 -17.246 19.566 -1.762 1.00 0.00
ATOM 60 CD PRO A 5 -18.563 20.138 -2.138 1.00 0.00
ATOM 61 HD1 PRO A 5 -19.292 20.000 -1.330 1.00 0.00
ATOM 62 HD2 PRO A 5 -18.923 19.756 -3.092 1.00 0.00
ATOM 63 CA PRO A 5 -16.333 20.634 -1.357 1.00 0.00
ATOM 64 HA PRO A 5 -15.552 20.751 -2.117 1.00 0.00
ATOM 65 CB PRO A 5 -17.228 21.870 -1.292 1.00 0.00
ATOM 66 HB1 PRO A 5 -17.625 21.998 -0.275 1.00 0.00
ATOM 67 HB2 PRO A 5 -16.642 22.772 -1.525 1.00 0.00
ATOM 68 CG PRO A 5 -18.281 21.600 -2.292 1.00 0.00
ATOM 69 HG1 PRO A 5 -19.162 22.221 -2.083 1.00 0.00
ATOM 70 HG2 PRO A 5 -17.932 21.862 -3.300 1.00 0.00
ATOM 71 C PRO A 5 -15.727 20.334 -0.001 1.00 0.00
ATOM 72 O PRO A 5 -14.552 20.617 0.225 1.00 0.00
ATOM 73 N TYR A 6 -16.540 19.765 0.889 1.00 0.00
ATOM 74 HN TYR A 6 -17.500 19.573 0.694 1.00 0.00
ATOM 75 CA TYR A 6 -16.105 19.374 2.216 1.00 0.00
ATOM 76 HA TYR A 6 -15.652 20.241 2.698 1.00 0.00
ATOM 77 CB TYR A 6 -17.281 18.921 3.072 1.00 0.00
ATOM 78 HB1 TYR A 6 -17.949 19.763 3.260 1.00 0.00
ATOM 79 HB2 TYR A 6 -17.851 18.153 2.556 1.00 0.00
ATOM 80 CG TYR A 6 -16.823 18.369 4.392 1.00 0.00
ATOM 81 CD1 TYR A 6 -16.323 19.216 5.369 1.00 0.00
ATOM 82 HD1 TYR A 6 -16.269 20.290 5.187 1.00 0.00
ATOM 83 CE1 TYR A 6 -15.885 18.696 6.572 1.00 0.00
ATOM 84 HE1 TYR A 6 -15.481 19.358 7.338 1.00 0.00
ATOM 85 CZ TYR A 6 -15.953 17.325 6.794 1.00 0.00
ATOM 86 OH TYR A 6 -15.498 16.802 7.984 1.00 0.00
ATOM 87 HH TYR A 6 -15.384 17.513 8.620 1.00 0.00
ATOM 88 CD2 TYR A 6 -16.894 17.007 4.622 1.00 0.00
ATOM 89 HD2 TYR A 6 -17.285 16.344 3.850 1.00 0.00
ATOM 90 CE2 TYR A 6 -16.462 16.487 5.823 1.00 0.00
ATOM 91 HE2 TYR A 6 -16.514 15.412 6.000 1.00 0.00
ATOM 92 C TYR A 6 -15.048 18.287 2.163 1.00 0.00
ATOM 93 O TYR A 6 -14.008 18.404 2.811 1.00 0.00
ATOM 94 N SER A 7 -15.318 17.212 1.417 1.00 0.00
ATOM 95 HN SER A 7 -16.155 17.049 0.895 1.00 0.00
ATOM 96 CA SER A 7 -14.334 16.140 1.317 1.00 0.00
ATOM 97 HA SER A 7 -14.098 15.792 2.324 1.00 0.00
ATOM 98 CB SER A 7 -14.893 14.985 0.514 1.00 0.00
ATOM 99 HB1 SER A 7 -14.232 14.123 0.597 1.00 0.00
ATOM 100 HB2 SER A 7 -15.859 14.698 0.925 1.00 0.00
ATOM 101 OG SER A 7 -15.044 15.335 -0.835 1.00 0.00
ATOM 102 HG1 SER A 7 -15.494 16.186 -0.844 1.00 0.00
ATOM 103 C SER A 7 -13.045 16.639 0.662 1.00 0.00
ATOM 104 O SER A 7 -11.950 16.184 1.012 1.00 0.00
ATOM 105 N ILE A 8 -13.179 17.619 -0.241 1.00 0.00
ATOM 106 HN ILE A 8 -14.056 17.993 -0.535 1.00 0.00
ATOM 107 CA ILE A 8 -12.028 18.230 -0.879 1.00 0.00
ATOM 108 HA ILE A 8 -11.388 17.445 -1.279 1.00 0.00
ATOM 109 CB ILE A 8 -12.436 19.160 -2.031 1.00 0.00
ATOM 110 HB ILE A 8 -13.171 19.885 -1.687 1.00 0.00
ATOM 111 CG2 ILE A 8 -11.207 19.881 -2.543 1.00 0.00
ATOM 112 HG21 ILE A 8 -11.489 20.535 -3.362 1.00 0.00
ATOM 113 HG22 ILE A 8 -10.769 20.467 -1.737 1.00 0.00
ATOM 114 HG23 ILE A 8 -10.481 19.150 -2.897 1.00 0.00
ATOM 115 CG1 ILE A 8 -13.060 18.360 -3.169 1.00 0.00
ATOM 116 HG11 ILE A 8 -12.282 17.784 -3.665 1.00 0.00
ATOM 117 HG12 ILE A 8 -13.789 17.663 -2.762 1.00 0.00
ATOM 118 CD ILE A 8 -13.745 19.226 -4.201 1.00 0.00
ATOM 119 HD1 ILE A 8 -14.231 18.593 -4.975 1.00 0.00
ATOM 120 HD2 ILE A 8 -14.527 19.857 -3.726 1.00 0.00
ATOM 121 HD3 ILE A 8 -13.016 19.891 -4.710 1.00 0.00
ATOM 122 C ILE A 8 -11.246 19.004 0.166 1.00 0.00
ATOM 123 O ILE A 8 -10.030 18.864 0.242 1.00 0.00
ATOM 124 N GLU A 9 -11.960 19.799 0.976 1.00 0.00
ATOM 125 HN GLU A 9 -12.944 19.914 0.876 1.00 0.00
ATOM 126 CA GLU A 9 -11.381 20.569 2.074 1.00 0.00
ATOM 127 HA GLU A 9 -10.717 21.319 1.660 1.00 0.00
ATOM 128 CB GLU A 9 -12.464 21.282 2.879 1.00 0.00
ATOM 129 HB1 GLU A 9 -13.022 21.956 2.227 1.00 0.00
ATOM 130 HB2 GLU A 9 -13.167 20.562 3.286 1.00 0.00
ATOM 131 CG GLU A 9 -11.915 22.091 4.042 1.00 0.00
ATOM 132 HG1 GLU A 9 -11.360 21.423 4.699 1.00 0.00
ATOM 133 HG2 GLU A 9 -11.217 22.833 3.653 1.00 0.00
ATOM 134 CD GLU A 9 -12.975 22.789 4.844 1.00 0.00
ATOM 135 OE1 GLU A 9 -14.106 22.822 4.419 1.00 0.00
ATOM 136 OE2 GLU A 9 -12.649 23.277 5.903 1.00 0.00
ATOM 137 C GLU A 9 -10.567 19.705 3.011 1.00 0.00
ATOM 138 O GLU A 9 -9.467 20.089 3.403 1.00 0.00
ATOM 139 N ARG A 10 -11.109 18.543 3.378 1.00 0.00
ATOM 140 HN ARG A 10 -12.018 18.261 3.079 1.00 0.00
ATOM 141 CA ARG A 10 -10.390 17.619 4.244 1.00 0.00
ATOM 142 HA ARG A 10 -10.218 18.104 5.206 1.00 0.00
ATOM 143 CB ARG A 10 -11.189 16.347 4.470 1.00 0.00
ATOM 144 HB1 ARG A 10 -11.493 15.936 3.510 1.00 0.00
ATOM 145 HB2 ARG A 10 -10.554 15.606 4.954 1.00 0.00
ATOM 146 CG ARG A 10 -12.441 16.493 5.317 1.00 0.00
ATOM 147 HG1 ARG A 10 -12.173 16.843 6.314 1.00 0.00
ATOM 148 HG2 ARG A 10 -13.121 17.206 4.850 1.00 0.00
ATOM 149 CD ARG A 10 -13.140 15.189 5.446 1.00 0.00
ATOM 150 HD1 ARG A 10 -14.069 15.323 5.989 1.00 0.00
ATOM 151 HD2 ARG A 10 -13.348 14.781 4.458 1.00 0.00
ATOM 152 NE ARG A 10 -12.340 14.226 6.180 1.00 0.00
ATOM 153 HE ARG A 10 -11.717 13.633 5.649 1.00 0.00
ATOM 154 CZ ARG A 10 -12.350 14.083 7.521 1.00 0.00
ATOM 155 NH1 ARG A 10 -13.141 14.819 8.276 1.00 0.00
ATOM 156 HH11 ARG A 10 -13.768 15.504 7.869 1.00 0.00
ATOM 157 HH12 ARG A 10 -13.132 14.694 9.277 1.00 0.00
ATOM 158 NH2 ARG A 10 -11.559 13.188 8.086 1.00 0.00
ATOM 159 HH21 ARG A 10 -10.951 12.617 7.513 1.00 0.00
ATOM 160 HH22 ARG A 10 -11.562 13.074 9.088 1.00 0.00
ATOM 161 C ARG A 10 -9.042 17.260 3.626 1.00 0.00
ATOM 162 O ARG A 10 -8.015 17.281 4.312 1.00 0.00
ATOM 163 N THR A 11 -9.056 16.957 2.321 1.00 0.00
ATOM 164 HN THR A 11 -9.887 16.927 1.767 1.00 0.00
ATOM 165 CA THR A 11 -7.837 16.641 1.589 1.00 0.00
ATOM 166 HA THR A 11 -7.319 15.838 2.113 1.00 0.00
ATOM 167 CB THR A 11 -8.143 16.157 0.160 1.00 0.00
ATOM 168 HB THR A 11 -8.690 16.926 -0.383 1.00 0.00
ATOM 169 OG1 THR A 11 -8.937 14.965 0.212 1.00 0.00
ATOM 170 HG1 THR A 11 -9.791 15.169 0.606 1.00 0.00
ATOM 171 CG2 THR A 11 -6.844 15.860 -0.569 1.00 0.00
ATOM 172 HG21 THR A 11 -7.064 15.516 -1.580 1.00 0.00
ATOM 173 HG22 THR A 11 -6.243 16.766 -0.615 1.00 0.00
ATOM 174 HG23 THR A 11 -6.294 15.085 -0.035 1.00 0.00
ATOM 175 C THR A 11 -6.899 17.846 1.532 1.00 0.00
ATOM 176 O THR A 11 -5.692 17.686 1.702 1.00 0.00
ATOM 177 N ILE A 12 -7.461 19.043 1.309 1.00 0.00
ATOM 178 HN ILE A 12 -8.440 19.175 1.168 1.00 0.00
ATOM 179 CA ILE A 12 -6.676 20.274 1.253 1.00 0.00
ATOM 180 HA ILE A 12 -5.964 20.195 0.435 1.00 0.00
ATOM 181 CB ILE A 12 -7.557 21.531 1.032 1.00 0.00
ATOM 182 HB ILE A 12 -8.376 21.531 1.746 1.00 0.00
ATOM 183 CG2 ILE A 12 -6.721 22.783 1.239 1.00 0.00
ATOM 184 HG21 ILE A 12 -7.344 23.665 1.101 1.00 0.00
ATOM 185 HG22 ILE A 12 -6.311 22.785 2.249 1.00 0.00
ATOM 186 HG23 ILE A 12 -5.904 22.799 0.517 1.00 0.00
ATOM 187 CG1 ILE A 12 -8.172 21.539 -0.360 1.00 0.00
ATOM 188 HG11 ILE A 12 -7.398 21.744 -1.081 1.00 0.00
ATOM 189 HG12 ILE A 12 -8.594 20.563 -0.568 1.00 0.00
ATOM 190 CD ILE A 12 -9.245 22.574 -0.555 1.00 0.00
ATOM 191 HD1 ILE A 12 -9.687 22.484 -1.571 1.00 0.00
ATOM 192 HD2 ILE A 12 -10.058 22.442 0.191 1.00 0.00
ATOM 193 HD3 ILE A 12 -8.833 23.600 -0.449 1.00 0.00
ATOM 194 C ILE A 12 -5.905 20.485 2.532 1.00 0.00
ATOM 195 O ILE A 12 -4.717 20.810 2.495 1.00 0.00
ATOM 196 N ARG A 13 -6.589 20.317 3.660 1.00 0.00
ATOM 197 HN ARG A 13 -7.551 20.055 3.649 1.00 0.00
ATOM 198 CA ARG A 13 -5.981 20.504 4.962 1.00 0.00
ATOM 199 HA ARG A 13 -5.529 21.496 4.989 1.00 0.00
ATOM 200 CB ARG A 13 -7.042 20.435 6.044 1.00 0.00
ATOM 201 HB1 ARG A 13 -7.643 19.536 5.912 1.00 0.00
ATOM 202 HB2 ARG A 13 -6.566 20.375 7.023 1.00 0.00
ATOM 203 CG ARG A 13 -7.987 21.627 6.058 1.00 0.00
ATOM 204 HG1 ARG A 13 -7.413 22.541 6.212 1.00 0.00
ATOM 205 HG2 ARG A 13 -8.511 21.687 5.105 1.00 0.00
ATOM 206 CD ARG A 13 -9.000 21.530 7.140 1.00 0.00
ATOM 207 HD1 ARG A 13 -9.555 20.597 7.038 1.00 0.00
ATOM 208 HD2 ARG A 13 -8.502 21.552 8.108 1.00 0.00
ATOM 209 NE ARG A 13 -9.947 22.632 7.088 1.00 0.00
ATOM 210 HE ARG A 13 -10.829 22.490 6.607 1.00 0.00
ATOM 211 CZ ARG A 13 -9.757 23.851 7.624 1.00 0.00
ATOM 212 NH1 ARG A 13 -8.649 24.142 8.269 1.00 0.00
ATOM 213 HH11 ARG A 13 -7.925 23.445 8.370 1.00 0.00
ATOM 214 HH12 ARG A 13 -8.522 25.063 8.664 1.00 0.00
ATOM 215 NH2 ARG A 13 -10.712 24.749 7.482 1.00 0.00
ATOM 216 HH21 ARG A 13 -11.552 24.488 6.972 1.00 0.00
ATOM 217 HH22 ARG A 13 -10.607 25.674 7.868 1.00 0.00
ATOM 218 C ARG A 13 -4.897 19.477 5.229 1.00 0.00
ATOM 219 O ARG A 13 -3.833 19.830 5.736 1.00 0.00
ATOM 220 N TRP A 14 -5.144 18.217 4.861 1.00 0.00
ATOM 221 HN TRP A 14 -5.996 17.907 4.445 1.00 0.00
ATOM 222 CA TRP A 14 -4.140 17.180 5.055 1.00 0.00
ATOM 223 HA TRP A 14 -3.865 17.161 6.108 1.00 0.00
ATOM 224 CB TRP A 14 -4.686 15.810 4.678 1.00 0.00
ATOM 225 HB1 TRP A 14 -5.592 15.605 5.251 1.00 0.00
ATOM 226 HB2 TRP A 14 -4.955 15.797 3.622 1.00 0.00
ATOM 227 CG TRP A 14 -3.701 14.708 4.934 1.00 0.00
ATOM 228 CD1 TRP A 14 -3.492 14.082 6.126 1.00 0.00
ATOM 229 HD1 TRP A 14 -4.019 14.312 7.051 1.00 0.00
ATOM 230 NE1 TRP A 14 -2.519 13.123 5.994 1.00 0.00
ATOM 231 HE1 TRP A 14 -2.183 12.523 6.733 1.00 0.00
ATOM 232 CE2 TRP A 14 -2.082 13.111 4.695 1.00 0.00
ATOM 233 CD2 TRP A 14 -2.793 14.086 3.993 1.00 0.00
ATOM 234 CE3 TRP A 14 -2.534 14.273 2.632 1.00 0.00
ATOM 235 HE3 TRP A 14 -3.078 15.026 2.064 1.00 0.00
ATOM 236 CZ3 TRP A 14 -1.572 13.478 2.019 1.00 0.00
ATOM 237 HZ3 TRP A 14 -1.376 13.626 0.957 1.00 0.00
ATOM 238 CZ2 TRP A 14 -1.122 12.319 4.085 1.00 0.00
ATOM 239 HZ2 TRP A 14 -0.567 11.556 4.632 1.00 0.00
ATOM 240 CH2 TRP A 14 -0.885 12.526 2.727 1.00 0.00
ATOM 241 HH2 TRP A 14 -0.137 11.921 2.215 1.00 0.00
ATOM 242 C TRP A 14 -2.891 17.478 4.240 1.00 0.00
ATOM 243 O TRP A 14 -1.775 17.393 4.758 1.00 0.00
ATOM 244 N LEU A 15 -3.086 17.842 2.971 1.00 0.00
ATOM 245 HN LEU A 15 -3.983 17.904 2.539 1.00 0.00
ATOM 246 CA LEU A 15 -1.977 18.185 2.097 1.00 0.00
ATOM 247 HA LEU A 15 -1.275 17.351 2.087 1.00 0.00
ATOM 248 CB LEU A 15 -2.477 18.416 0.661 1.00 0.00
ATOM 249 HB1 LEU A 15 -3.309 19.117 0.693 1.00 0.00
ATOM 250 HB2 LEU A 15 -1.672 18.863 0.077 1.00 0.00
ATOM 251 CG LEU A 15 -2.957 17.158 -0.089 1.00 0.00
ATOM 252 HG LEU A 15 -3.690 16.627 0.518 1.00 0.00
ATOM 253 CD1 LEU A 15 -3.605 17.554 -1.397 1.00 0.00
ATOM 254 HD11 LEU A 15 -3.941 16.660 -1.923 1.00 0.00
ATOM 255 HD12 LEU A 15 -4.460 18.190 -1.187 1.00 0.00
ATOM 256 HD13 LEU A 15 -2.888 18.092 -2.017 1.00 0.00
ATOM 257 CD2 LEU A 15 -1.776 16.258 -0.367 1.00 0.00
ATOM 258 HD21 LEU A 15 -2.114 15.365 -0.895 1.00 0.00
ATOM 259 HD22 LEU A 15 -1.056 16.792 -0.986 1.00 0.00
ATOM 260 HD23 LEU A 15 -1.306 15.970 0.572 1.00 0.00
ATOM 261 C LEU A 15 -1.251 19.416 2.617 1.00 0.00
ATOM 262 O LEU A 15 -0.027 19.468 2.551 1.00 0.00
ATOM 263 N THR A 16 -1.997 20.379 3.174 1.00 0.00
ATOM 264 HN THR A 16 -2.995 20.341 3.222 1.00 0.00
ATOM 265 CA THR A 16 -1.414 21.579 3.765 1.00 0.00
ATOM 266 HA THR A 16 -0.829 22.093 3.002 1.00 0.00
ATOM 267 CB THR A 16 -2.500 22.541 4.279 1.00 0.00
ATOM 268 HB THR A 16 -3.128 22.027 5.004 1.00 0.00
ATOM 269 OG1 THR A 16 -3.318 22.975 3.184 1.00 0.00
ATOM 270 HG1 THR A 16 -3.768 22.213 2.803 1.00 0.00
ATOM 271 CG2 THR A 16 -1.862 23.744 4.947 1.00 0.00
ATOM 272 HG21 THR A 16 -2.640 24.415 5.310 1.00 0.00
ATOM 273 HG22 THR A 16 -1.250 23.412 5.785 1.00 0.00
ATOM 274 HG23 THR A 16 -1.236 24.270 4.227 1.00 0.00
ATOM 275 C THR A 16 -0.483 21.220 4.911 1.00 0.00
ATOM 276 O THR A 16 0.599 21.797 5.038 1.00 0.00
ATOM 277 N TYR A 17 -0.898 20.258 5.736 1.00 0.00
ATOM 278 HN TYR A 17 -1.778 19.792 5.665 1.00 0.00
ATOM 279 CA TYR A 17 -0.063 19.807 6.836 1.00 0.00
ATOM 280 HA TYR A 17 0.240 20.674 7.425 1.00 0.00
ATOM 281 CB TYR A 17 -0.830 18.837 7.731 1.00 0.00
ATOM 282 HB1 TYR A 17 -1.259 18.038 7.125 1.00 0.00
ATOM 283 HB2 TYR A 17 -0.145 18.378 8.442 1.00 0.00
ATOM 284 CG TYR A 17 -1.948 19.492 8.507 1.00 0.00
ATOM 285 CD1 TYR A 17 -3.187 18.871 8.598 1.00 0.00
ATOM 286 HD1 TYR A 17 -3.350 17.910 8.113 1.00 0.00
ATOM 287 CE1 TYR A 17 -4.212 19.474 9.301 1.00 0.00
ATOM 288 HE1 TYR A 17 -5.184 18.987 9.372 1.00 0.00
ATOM 289 CZ TYR A 17 -3.996 20.703 9.916 1.00 0.00
ATOM 290 OH TYR A 17 -5.013 21.305 10.620 1.00 0.00
ATOM 291 HH TYR A 17 -4.692 22.122 11.008 1.00 0.00
ATOM 292 CD2 TYR A 17 -1.739 20.719 9.118 1.00 0.00
ATOM 293 HD2 TYR A 17 -0.768 21.207 9.044 1.00 0.00
ATOM 294 CE2 TYR A 17 -2.764 21.321 9.821 1.00 0.00
ATOM 295 HE2 TYR A 17 -2.600 22.286 10.304 1.00 0.00
ATOM 296 C TYR A 17 1.199 19.144 6.295 1.00 0.00
ATOM 297 O TYR A 17 2.283 19.318 6.854 1.00 0.00
ATOM 298 N GLN A 18 1.061 18.427 5.178 1.00 0.00
ATOM 299 HN GLN A 18 0.192 18.272 4.712 1.00 0.00
ATOM 300 CA GLN A 18 2.205 17.801 4.541 1.00 0.00
ATOM 301 HA GLN A 18 2.765 17.254 5.298 1.00 0.00
ATOM 302 CB GLN A 18 1.744 16.811 3.476 1.00 0.00
ATOM 303 HB1 GLN A 18 1.079 17.312 2.776 1.00 0.00
ATOM 304 HB2 GLN A 18 2.605 16.451 2.912 1.00 0.00
ATOM 305 CG GLN A 18 1.006 15.606 4.027 1.00 0.00
ATOM 306 HG1 GLN A 18 0.128 15.945 4.570 1.00 0.00
ATOM 307 HG2 GLN A 18 0.710 14.969 3.196 1.00 0.00
ATOM 308 CD GLN A 18 1.859 14.787 4.974 1.00 0.00
ATOM 309 OE1 GLN A 18 3.034 14.525 4.703 1.00 0.00
ATOM 310 NE2 GLN A 18 1.275 14.377 6.094 1.00 0.00
ATOM 311 HE21 GLN A 18 1.788 13.830 6.756 1.00 0.00
ATOM 312 HE22 GLN A 18 0.319 14.611 6.275 1.00 0.00
ATOM 313 C GLN A 18 3.137 18.855 3.937 1.00 0.00
ATOM 314 O GLN A 18 4.354 18.663 3.934 1.00 0.00
ATOM 315 N VAL A 19 2.575 19.978 3.461 1.00 0.00
ATOM 316 HN VAL A 19 1.592 20.137 3.414 1.00 0.00
ATOM 317 CA VAL A 19 3.390 21.083 2.962 1.00 0.00
ATOM 318 HA VAL A 19 4.051 20.710 2.187 1.00 0.00
ATOM 319 CB VAL A 19 2.545 22.237 2.374 1.00 0.00
ATOM 320 HB VAL A 19 1.802 22.550 3.104 1.00 0.00
ATOM 321 CG1 VAL A 19 3.453 23.423 2.090 1.00 0.00
ATOM 322 HG11 VAL A 19 2.861 24.246 1.690 1.00 0.00
ATOM 323 HG12 VAL A 19 3.936 23.741 3.014 1.00 0.00
ATOM 324 HG13 VAL A 19 4.212 23.134 1.364 1.00 0.00
ATOM 325 CG2 VAL A 19 1.857 21.806 1.088 1.00 0.00
ATOM 326 HG21 VAL A 19 1.272 22.638 0.695 1.00 0.00
ATOM 327 HG22 VAL A 19 2.604 21.515 0.354 1.00 0.00
ATOM 328 HG23 VAL A 19 1.199 20.967 1.285 1.00 0.00
ATOM 329 C VAL A 19 4.234 21.630 4.089 1.00 0.00
ATOM 330 O VAL A 19 5.429 21.856 3.912 1.00 0.00
ATOM 331 N ALA A 20 3.606 21.828 5.250 1.00 0.00
ATOM 332 HN ALA A 20 2.629 21.654 5.371 1.00 0.00
ATOM 333 CA ALA A 20 4.304 22.314 6.430 1.00 0.00
ATOM 334 HA ALA A 20 4.749 23.279 6.192 1.00 0.00
ATOM 335 CB ALA A 20 3.328 22.488 7.581 1.00 0.00
ATOM 336 HB1 ALA A 20 3.857 22.875 8.451 1.00 0.00
ATOM 337 HB2 ALA A 20 2.546 23.188 7.289 1.00 0.00
ATOM 338 HB3 ALA A 20 2.878 21.528 7.830 1.00 0.00
ATOM 339 C ALA A 20 5.427 21.358 6.823 1.00 0.00
ATOM 340 O ALA A 20 6.515 21.805 7.193 1.00 0.00
ATOM 341 N ASN A 21 5.172 20.052 6.715 1.00 0.00
ATOM 342 HN ASN A 21 4.290 19.680 6.428 1.00 0.00
ATOM 343 CA ASN A 21 6.182 19.048 7.014 1.00 0.00
ATOM 344 HA ASN A 21 6.566 19.231 8.019 1.00 0.00
ATOM 345 CB ASN A 21 5.576 17.661 6.971 1.00 0.00
ATOM 346 HB1 ASN A 21 4.997 17.541 6.057 1.00 0.00
ATOM 347 HB2 ASN A 21 6.370 16.914 6.956 1.00 0.00
ATOM 348 CG ASN A 21 4.681 17.392 8.147 1.00 0.00
ATOM 349 OD1 ASN A 21 4.780 18.055 9.187 1.00 0.00
ATOM 350 ND2 ASN A 21 3.808 16.428 8.006 1.00 0.00
ATOM 351 HD21 ASN A 21 3.185 16.204 8.755 1.00 0.00
ATOM 352 HD22 ASN A 21 3.763 15.917 7.148 1.00 0.00
ATOM 353 C ASN A 21 7.361 19.158 6.050 1.00 0.00
ATOM 354 O ASN A 21 8.515 19.076 6.472 1.00 0.00
ATOM 355 N SER A 22 7.065 19.367 4.763 1.00 0.00
ATOM 356 HN SER A 22 6.133 19.405 4.404 1.00 0.00
ATOM 357 CA SER A 22 8.101 19.561 3.756 1.00 0.00
ATOM 358 HA SER A 22 8.763 18.694 3.769 1.00 0.00
ATOM 359 CB SER A 22 7.500 19.684 2.370 1.00 0.00
ATOM 360 HB1 SER A 22 6.941 18.776 2.140 1.00 0.00
ATOM 361 HB2 SER A 22 6.796 20.513 2.342 1.00 0.00
ATOM 362 OG SER A 22 8.500 19.881 1.405 1.00 0.00
ATOM 363 HG1 SER A 22 8.862 20.754 1.576 1.00 0.00
ATOM 364 C SER A 22 8.929 20.796 4.082 1.00 0.00
ATOM 365 O SER A 22 10.153 20.759 3.988 1.00 0.00
ATOM 366 N LEU A 23 8.259 21.881 4.471 1.00 0.00
ATOM 367 HN LEU A 23 7.264 21.924 4.540 1.00 0.00
ATOM 368 CA LEU A 23 8.938 23.117 4.835 1.00 0.00
ATOM 369 HA LEU A 23 9.550 23.436 3.992 1.00 0.00
ATOM 370 CB LEU A 23 7.906 24.204 5.134 1.00 0.00
ATOM 371 HB1 LEU A 23 7.195 23.824 5.864 1.00 0.00
ATOM 372 HB2 LEU A 23 8.418 25.062 5.569 1.00 0.00
ATOM 373 CG LEU A 23 7.109 24.702 3.922 1.00 0.00
ATOM 374 HG LEU A 23 6.646 23.858 3.414 1.00 0.00
ATOM 375 CD1 LEU A 23 6.002 25.634 4.394 1.00 0.00
ATOM 376 HD11 LEU A 23 5.431 25.983 3.535 1.00 0.00
ATOM 377 HD12 LEU A 23 5.341 25.100 5.075 1.00 0.00
ATOM 378 HD13 LEU A 23 6.443 26.487 4.909 1.00 0.00
ATOM 379 CD2 LEU A 23 8.052 25.404 2.961 1.00 0.00
ATOM 380 HD21 LEU A 23 7.491 25.756 2.094 1.00 0.00
ATOM 381 HD22 LEU A 23 8.516 26.254 3.462 1.00 0.00
ATOM 382 HD23 LEU A 23 8.825 24.709 2.635 1.00 0.00
ATOM 383 C LEU A 23 9.850 22.914 6.043 1.00 0.00
ATOM 384 O LEU A 23 10.940 23.489 6.099 1.00 0.00
ATOM 385 N ALA A 24 9.418 22.080 6.992 1.00 0.00
ATOM 386 HN ALA A 24 8.519 21.644 6.971 1.00 0.00
ATOM 387 CA ALA A 24 10.247 21.746 8.140 1.00 0.00
ATOM 388 HA ALA A 24 10.552 22.673 8.626 1.00 0.00
ATOM 389 CB ALA A 24 9.476 20.895 9.133 1.00 0.00
ATOM 390 HB1 ALA A 24 10.111 20.671 9.991 1.00 0.00
ATOM 391 HB2 ALA A 24 8.593 21.439 9.467 1.00 0.00
ATOM 392 HB3 ALA A 24 9.169 19.964 8.660 1.00 0.00
ATOM 393 C ALA A 24 11.503 21.021 7.666 1.00 0.00
ATOM 394 O ALA A 24 12.604 21.311 8.141 1.00 0.00
ATOM 395 N LEU A 25 11.336 20.106 6.703 1.00 0.00
ATOM 396 HN LEU A 25 10.451 19.854 6.317 1.00 0.00
ATOM 397 CA LEU A 25 12.464 19.389 6.129 1.00 0.00
ATOM 398 HA LEU A 25 13.007 18.899 6.938 1.00 0.00
ATOM 399 CB LEU A 25 11.989 18.319 5.143 1.00 0.00
ATOM 400 HB1 LEU A 25 11.319 18.774 4.418 1.00 0.00
ATOM 401 HB2 LEU A 25 12.853 17.937 4.606 1.00 0.00
ATOM 402 CG LEU A 25 11.261 17.124 5.753 1.00 0.00
ATOM 403 HG LEU A 25 10.426 17.470 6.362 1.00 0.00
ATOM 404 CD1 LEU A 25 10.704 16.257 4.634 1.00 0.00
ATOM 405 HD11 LEU A 25 10.178 15.403 5.063 1.00 0.00
ATOM 406 HD12 LEU A 25 10.012 16.841 4.029 1.00 0.00
ATOM 407 HD13 LEU A 25 11.522 15.902 4.008 1.00 0.00
ATOM 408 CD2 LEU A 25 12.233 16.344 6.623 1.00 0.00
ATOM 409 HD21 LEU A 25 11.722 15.489 7.065 1.00 0.00
ATOM 410 HD22 LEU A 25 13.067 15.994 6.015 1.00 0.00
ATOM 411 HD23 LEU A 25 12.609 16.991 7.417 1.00 0.00
ATOM 412 C LEU A 25 13.415 20.342 5.426 1.00 0.00
ATOM 413 O LEU A 25 14.625 20.155 5.507 1.00 0.00
ATOM 414 N VAL A 26 12.868 21.369 4.762 1.00 0.00
ATOM 415 HN VAL A 26 11.885 21.510 4.673 1.00 0.00
ATOM 416 CA VAL A 26 13.686 22.384 4.102 1.00 0.00
ATOM 417 HA VAL A 26 14.348 21.894 3.396 1.00 0.00
ATOM 418 CB VAL A 26 12.822 23.389 3.321 1.00 0.00
ATOM 419 HB VAL A 26 12.057 23.799 3.976 1.00 0.00
ATOM 420 CG1 VAL A 26 13.693 24.538 2.840 1.00 0.00
ATOM 421 HG11 VAL A 26 13.080 25.255 2.294 1.00 0.00
ATOM 422 HG12 VAL A 26 14.152 25.032 3.697 1.00 0.00
ATOM 423 HG13 VAL A 26 14.473 24.152 2.183 1.00 0.00
ATOM 424 CG2 VAL A 26 12.174 22.700 2.133 1.00 0.00
ATOM 425 HG21 VAL A 26 11.564 23.418 1.585 1.00 0.00
ATOM 426 HG22 VAL A 26 12.950 22.309 1.479 1.00 0.00
ATOM 427 HG23 VAL A 26 11.547 21.883 2.478 1.00 0.00
ATOM 428 C VAL A 26 14.540 23.128 5.107 1.00 0.00
ATOM 429 O VAL A 26 15.728 23.336 4.871 1.00 0.00
ATOM 430 N SER A 27 13.939 23.518 6.233 1.00 0.00
ATOM 431 HN SER A 27 12.970 23.378 6.438 1.00 0.00
ATOM 432 CA SER A 27 14.678 24.202 7.284 1.00 0.00
ATOM 433 HA SER A 27 15.096 25.121 6.872 1.00 0.00
ATOM 434 CB SER A 27 13.752 24.556 8.434 1.00 0.00
ATOM 435 HB1 SER A 27 13.255 23.657 8.795 1.00 0.00
ATOM 436 HB2 SER A 27 14.339 24.956 9.259 1.00 0.00
ATOM 437 OG SER A 27 12.792 25.498 8.039 1.00 0.00
ATOM 438 HG1 SER A 27 12.259 25.063 7.368 1.00 0.00
ATOM 439 C SER A 27 15.827 23.334 7.794 1.00 0.00
ATOM 440 O SER A 27 16.942 23.824 7.988 1.00 0.00
ATOM 441 N GLU A 28 15.558 22.040 7.974 1.00 0.00
ATOM 442 HN GLU A 28 14.670 21.619 7.810 1.00 0.00
ATOM 443 CA GLU A 28 16.576 21.111 8.440 1.00 0.00
ATOM 444 HA GLU A 28 17.075 21.550 9.305 1.00 0.00
ATOM 445 CB GLU A 28 15.933 19.795 8.869 1.00 0.00
ATOM 446 HB1 GLU A 28 15.326 19.403 8.053 1.00 0.00
ATOM 447 HB2 GLU A 28 16.708 19.061 9.087 1.00 0.00
ATOM 448 CG GLU A 28 15.043 19.917 10.102 1.00 0.00
ATOM 449 HG1 GLU A 28 14.233 20.612 9.888 1.00 0.00
ATOM 450 HG2 GLU A 28 14.602 18.945 10.314 1.00 0.00
ATOM 451 CD GLU A 28 15.783 20.401 11.320 1.00 0.00
ATOM 452 OE1 GLU A 28 16.827 19.872 11.612 1.00 0.00
ATOM 453 OE2 GLU A 28 15.305 21.313 11.960 1.00 0.00
ATOM 454 C GLU A 28 17.628 20.864 7.364 1.00 0.00
ATOM 455 O GLU A 28 18.801 20.680 7.675 1.00 0.00
ATOM 456 N ALA A 29 17.202 20.881 6.103 1.00 0.00
ATOM 457 HN ALA A 29 16.237 21.001 5.871 1.00 0.00
ATOM 458 CA ALA A 29 18.100 20.727 4.973 1.00 0.00
ATOM 459 HA ALA A 29 18.699 19.832 5.132 1.00 0.00
ATOM 460 CB ALA A 29 17.305 20.570 3.695 1.00 0.00
ATOM 461 HB1 ALA A 29 17.987 20.425 2.862 1.00 0.00
ATOM 462 HB2 ALA A 29 16.653 19.702 3.782 1.00 0.00
ATOM 463 HB3 ALA A 29 16.705 21.461 3.524 1.00 0.00
ATOM 464 C ALA A 29 19.046 21.918 4.883 1.00 0.00
ATOM 465 O ALA A 29 20.208 21.763 4.516 1.00 0.00
ATOM 466 N ASP A 30 18.561 23.107 5.235 1.00 0.00
ATOM 467 HN ASP A 30 17.620 23.313 5.491 1.00 0.00
ATOM 468 CA ASP A 30 19.428 24.275 5.275 1.00 0.00
ATOM 469 HA ASP A 30 19.968 24.337 4.332 1.00 0.00
ATOM 470 CB ASP A 30 18.614 25.557 5.450 1.00 0.00
ATOM 471 HB1 ASP A 30 17.910 25.434 6.273 1.00 0.00
ATOM 472 HB2 ASP A 30 19.282 26.378 5.710 1.00 0.00
ATOM 473 CG ASP A 30 17.834 25.943 4.199 1.00 0.00
ATOM 474 OD1 ASP A 30 18.128 25.417 3.151 1.00 0.00
ATOM 475 OD2 ASP A 30 16.962 26.772 4.300 1.00 0.00
ATOM 476 C ASP A 30 20.448 24.135 6.403 1.00 0.00
ATOM 477 O ASP A 30 21.617 24.483 6.235 1.00 0.00
ATOM 478 N LYS A 31 20.004 23.593 7.544 1.00 0.00
ATOM 479 HN LYS A 31 19.051 23.329 7.685 1.00 0.00
ATOM 480 CA LYS A 31 20.891 23.345 8.680 1.00 0.00
ATOM 481 HA LYS A 31 21.384 24.280 8.950 1.00 0.00
ATOM 482 CB LYS A 31 20.097 22.828 9.878 1.00 0.00
ATOM 483 HB1 LYS A 31 19.489 21.978 9.579 1.00 0.00
ATOM 484 HB2 LYS A 31 20.791 22.473 10.640 1.00 0.00
ATOM 485 CG LYS A 31 19.175 23.834 10.544 1.00 0.00
ATOM 486 HG1 LYS A 31 19.761 24.660 10.948 1.00 0.00
ATOM 487 HG2 LYS A 31 18.470 24.231 9.818 1.00 0.00
ATOM 488 CD LYS A 31 18.412 23.162 11.673 1.00 0.00
ATOM 489 HD1 LYS A 31 17.885 22.292 11.282 1.00 0.00
ATOM 490 HD2 LYS A 31 19.116 22.821 12.432 1.00 0.00
ATOM 491 CE LYS A 31 17.406 24.093 12.326 1.00 0.00
ATOM 492 HE1 LYS A 31 17.930 24.932 12.780 1.00 0.00
ATOM 493 HE2 LYS A 31 16.721 24.474 11.568 1.00 0.00
ATOM 494 NZ LYS A 31 16.617 23.387 13.376 1.00 0.00
ATOM 495 HZ1 LYS A 31 15.953 24.025 13.791 1.00 0.00
ATOM 496 HZ2 LYS A 31 16.120 22.611 12.950 1.00 0.00
ATOM 497 HZ3 LYS A 31 17.238 23.036 14.089 1.00 0.00
ATOM 498 C LYS A 31 21.971 22.320 8.331 1.00 0.00
ATOM 499 O LYS A 31 23.129 22.465 8.729 1.00 0.00
ATOM 500 N ILE A 32 21.585 21.294 7.575 1.00 0.00
ATOM 501 HN ILE A 32 20.649 21.185 7.247 1.00 0.00
ATOM 502 CA ILE A 32 22.491 20.234 7.155 1.00 0.00
ATOM 503 HA ILE A 32 23.475 20.418 7.586 1.00 0.00
ATOM 504 CB ILE A 32 21.995 18.862 7.616 1.00 0.00
ATOM 505 HB ILE A 32 21.022 18.654 7.172 1.00 0.00
ATOM 506 CG2 ILE A 32 22.990 17.799 7.185 1.00 0.00
ATOM 507 HG21 ILE A 32 22.641 16.821 7.511 1.00 0.00
ATOM 508 HG22 ILE A 32 23.086 17.809 6.101 1.00 0.00
ATOM 509 HG23 ILE A 32 23.960 18.005 7.637 1.00 0.00
ATOM 510 CG1 ILE A 32 21.822 18.849 9.134 1.00 0.00
ATOM 511 HG11 ILE A 32 22.802 18.921 9.606 1.00 0.00
ATOM 512 HG12 ILE A 32 21.230 19.712 9.435 1.00 0.00
ATOM 513 CD ILE A 32 21.134 17.608 9.648 1.00 0.00
ATOM 514 HD1 ILE A 32 20.983 17.678 10.747 1.00 0.00
ATOM 515 HD2 ILE A 32 20.140 17.484 9.167 1.00 0.00
ATOM 516 HD3 ILE A 32 21.741 16.702 9.442 1.00 0.00
ATOM 517 C ILE A 32 22.618 20.241 5.648 1.00 0.00
ATOM 518 O ILE A 32 22.164 19.316 4.969 1.00 0.00
ATOM 519 N MET A 33 23.232 21.296 5.125 1.00 0.00
ATOM 520 HN MET A 33 23.651 22.017 5.673 1.00 0.00
ATOM 521 CA MET A 33 23.346 21.491 3.689 1.00 0.00
ATOM 522 HA MET A 33 22.353 21.409 3.250 1.00 0.00
ATOM 523 CB MET A 33 23.892 22.893 3.424 1.00 0.00
ATOM 524 HB1 MET A 33 23.239 23.625 3.898 1.00 0.00
ATOM 525 HB2 MET A 33 24.876 22.990 3.885 1.00 0.00
ATOM 526 CG MET A 33 24.026 23.277 1.960 1.00 0.00
ATOM 527 HG1 MET A 33 24.516 24.247 1.883 1.00 0.00
ATOM 528 HG2 MET A 33 24.644 22.542 1.444 1.00 0.00
ATOM 529 SD MET A 33 22.439 23.373 1.123 1.00 0.00
ATOM 530 CE MET A 33 21.732 24.823 1.896 1.00 0.00
ATOM 531 HE1 MET A 33 20.741 25.011 1.483 1.00 0.00
ATOM 532 HE2 MET A 33 21.653 24.659 2.971 1.00 0.00
ATOM 533 HE3 MET A 33 22.372 25.686 1.708 1.00 0.00
ATOM 534 C MET A 33 24.229 20.450 3.025 1.00 0.00
ATOM 535 O MET A 33 25.423 20.662 2.810 1.00 0.00
ATOM 536 N GLN A 34 23.602 19.338 2.661 1.00 0.00
ATOM 537 HN GLN A 34 22.632 19.195 2.849 1.00 0.00
ATOM 538 CA GLN A 34 24.248 18.238 1.967 1.00 0.00
ATOM 539 HA GLN A 34 25.220 18.572 1.602 1.00 0.00
ATOM 540 CB GLN A 34 24.450 17.048 2.906 1.00 0.00
ATOM 541 HB1 GLN A 34 23.489 16.732 3.299 1.00 0.00
ATOM 542 HB2 GLN A 34 24.869 16.209 2.352 1.00 0.00
ATOM 543 CG GLN A 34 25.356 17.326 4.091 1.00 0.00
ATOM 544 HG1 GLN A 34 26.334 17.635 3.723 1.00 0.00
ATOM 545 HG2 GLN A 34 24.917 18.119 4.695 1.00 0.00
ATOM 546 CD GLN A 34 25.540 16.109 4.974 1.00 0.00
ATOM 547 OE1 GLN A 34 24.730 15.178 4.952 1.00 0.00
ATOM 548 NE2 GLN A 34 26.611 16.106 5.757 1.00 0.00
ATOM 549 HE21 GLN A 34 26.788 15.327 6.363 1.00 0.00
ATOM 550 HE22 GLN A 34 27.244 16.880 5.742 1.00 0.00
ATOM 551 C GLN A 34 23.408 17.822 0.773 1.00 0.00
ATOM 552 O GLN A 34 22.193 18.031 0.772 1.00 0.00
ATOM 553 N THR A 35 24.059 17.227 -0.228 1.00 0.00
ATOM 554 HN THR A 35 25.044 17.059 -0.202 1.00 0.00
ATOM 555 CA THR A 35 23.403 16.765 -1.452 1.00 0.00
ATOM 556 HA THR A 35 23.082 17.640 -2.019 1.00 0.00
ATOM 557 CB THR A 35 24.379 15.957 -2.325 1.00 0.00
ATOM 558 HB THR A 35 24.749 15.102 -1.760 1.00 0.00
ATOM 559 OG1 THR A 35 25.490 16.782 -2.699 1.00 0.00
ATOM 560 HG1 THR A 35 26.092 16.276 -3.248 1.00 0.00
ATOM 561 CG2 THR A 35 23.673 15.463 -3.576 1.00 0.00
ATOM 562 HG21 THR A 35 24.372 14.891 -4.185 1.00 0.00
ATOM 563 HG22 THR A 35 22.834 14.828 -3.292 1.00 0.00
ATOM 564 HG23 THR A 35 23.307 16.316 -4.147 1.00 0.00
ATOM 565 C THR A 35 22.170 15.912 -1.171 1.00 0.00
ATOM 566 O THR A 35 21.132 16.098 -1.805 1.00 0.00
ATOM 567 N GLU A 36 22.303 14.981 -0.224 1.00 0.00
ATOM 568 HN GLU A 36 23.156 14.820 0.265 1.00 0.00
ATOM 569 CA GLU A 36 21.210 14.107 0.187 1.00 0.00
ATOM 570 HA GLU A 36 20.923 13.489 -0.663 1.00 0.00
ATOM 571 CB GLU A 36 21.655 13.195 1.329 1.00 0.00
ATOM 572 HB1 GLU A 36 22.510 12.601 1.009 1.00 0.00
ATOM 573 HB2 GLU A 36 21.974 13.798 2.179 1.00 0.00
ATOM 574 CG GLU A 36 20.573 12.239 1.810 1.00 0.00
ATOM 575 HG1 GLU A 36 19.728 12.820 2.181 1.00 0.00
ATOM 576 HG2 GLU A 36 20.226 11.648 0.964 1.00 0.00
ATOM 577 CD GLU A 36 21.037 11.315 2.900 1.00 0.00
ATOM 578 OE1 GLU A 36 22.186 11.385 3.265 1.00 0.00
ATOM 579 OE2 GLU A 36 20.242 10.534 3.365 1.00 0.00
ATOM 580 C GLU A 36 19.991 14.897 0.628 1.00 0.00
ATOM 581 O GLU A 36 18.868 14.585 0.231 1.00 0.00
ATOM 582 N TYR A 37 20.226 15.907 1.459 1.00 0.00
ATOM 583 HN TYR A 37 21.146 16.142 1.769 1.00 0.00
ATOM 584 CA TYR A 37 19.174 16.757 1.990 1.00 0.00
ATOM 585 HA TYR A 37 18.391 16.119 2.398 1.00 0.00
ATOM 586 CB TYR A 37 19.747 17.606 3.119 1.00 0.00
ATOM 587 HB1 TYR A 37 20.708 18.025 2.822 1.00 0.00
ATOM 588 HB2 TYR A 37 19.076 18.429 3.340 1.00 0.00
ATOM 589 CG TYR A 37 19.944 16.797 4.374 1.00 0.00
ATOM 590 CD1 TYR A 37 20.998 15.905 4.454 1.00 0.00
ATOM 591 HD1 TYR A 37 21.679 15.789 3.611 1.00 0.00
ATOM 592 CE1 TYR A 37 21.180 15.151 5.593 1.00 0.00
ATOM 593 HE1 TYR A 37 22.006 14.442 5.651 1.00 0.00
ATOM 594 CZ TYR A 37 20.303 15.299 6.662 1.00 0.00
ATOM 595 OH TYR A 37 20.485 14.542 7.796 1.00 0.00
ATOM 596 HH TYR A 37 21.244 13.966 7.675 1.00 0.00
ATOM 597 CD2 TYR A 37 19.076 16.948 5.444 1.00 0.00
ATOM 598 HD2 TYR A 37 18.249 17.655 5.383 1.00 0.00
ATOM 599 CE2 TYR A 37 19.259 16.199 6.589 1.00 0.00
ATOM 600 HE2 TYR A 37 18.575 16.312 7.430 1.00 0.00
ATOM 601 C TYR A 37 18.549 17.621 0.911 1.00 0.00
ATOM 602 O TYR A 37 17.351 17.894 0.958 1.00 0.00
ATOM 603 N MET A 38 19.345 18.013 -0.085 1.00 0.00
ATOM 604 HN MET A 38 20.321 17.818 -0.154 1.00 0.00
ATOM 605 CA MET A 38 18.809 18.790 -1.190 1.00 0.00
ATOM 606 HA MET A 38 18.227 19.618 -0.788 1.00 0.00
ATOM 607 CB MET A 38 19.939 19.345 -2.055 1.00 0.00
ATOM 608 HB1 MET A 38 20.577 18.530 -2.390 1.00 0.00
ATOM 609 HB2 MET A 38 19.517 19.816 -2.944 1.00 0.00
ATOM 610 CG MET A 38 20.820 20.370 -1.362 1.00 0.00
ATOM 611 HG1 MET A 38 21.291 19.917 -0.491 1.00 0.00
ATOM 612 HG2 MET A 38 21.605 20.698 -2.042 1.00 0.00
ATOM 613 SD MET A 38 19.897 21.816 -0.817 1.00 0.00
ATOM 614 CE MET A 38 19.627 21.375 0.894 1.00 0.00
ATOM 615 HE1 MET A 38 19.067 22.169 1.390 1.00 0.00
ATOM 616 HE2 MET A 38 19.062 20.447 0.943 1.00 0.00
ATOM 617 HE3 MET A 38 20.587 21.241 1.394 1.00 0.00
ATOM 618 C MET A 38 17.880 17.925 -2.028 1.00 0.00
ATOM 619 O MET A 38 16.813 18.379 -2.440 1.00 0.00
ATOM 620 N LYS A 39 18.272 16.668 -2.245 1.00 0.00
ATOM 621 HN LYS A 39 19.140 16.297 -1.919 1.00 0.00
ATOM 622 CA LYS A 39 17.441 15.733 -2.988 1.00 0.00
ATOM 623 HA LYS A 39 17.141 16.204 -3.924 1.00 0.00
ATOM 624 CB LYS A 39 18.223 14.462 -3.311 1.00 0.00
ATOM 625 HB1 LYS A 39 18.691 14.082 -2.403 1.00 0.00
ATOM 626 HB2 LYS A 39 17.539 13.695 -3.673 1.00 0.00
ATOM 627 CG LYS A 39 19.312 14.649 -4.358 1.00 0.00
ATOM 628 HG1 LYS A 39 18.866 15.006 -5.287 1.00 0.00
ATOM 629 HG2 LYS A 39 20.026 15.394 -4.010 1.00 0.00
ATOM 630 CD LYS A 39 20.047 13.347 -4.630 1.00 0.00
ATOM 631 HD1 LYS A 39 20.539 13.008 -3.717 1.00 0.00
ATOM 632 HD2 LYS A 39 19.333 12.584 -4.941 1.00 0.00
ATOM 633 CE LYS A 39 21.093 13.517 -5.722 1.00 0.00
ATOM 634 HE1 LYS A 39 20.600 13.832 -6.641 1.00 0.00
ATOM 635 HE2 LYS A 39 21.801 14.288 -5.424 1.00 0.00
ATOM 636 NZ LYS A 39 21.835 12.253 -5.983 1.00 0.00
ATOM 637 HZ1 LYS A 39 22.516 12.407 -6.712 1.00 0.00
ATOM 638 HZ2 LYS A 39 22.306 11.958 -5.139 1.00 0.00
ATOM 639 HZ3 LYS A 39 21.187 11.535 -6.274 1.00 0.00
ATOM 640 C LYS A 39 16.179 15.395 -2.210 1.00 0.00
ATOM 641 O LYS A 39 15.101 15.282 -2.794 1.00 0.00
ATOM 642 N MET A 40 16.320 15.268 -0.889 1.00 0.00
ATOM 643 HN MET A 40 17.203 15.356 -0.433 1.00 0.00
ATOM 644 CA MET A 40 15.208 14.991 0.004 1.00 0.00
ATOM 645 HA MET A 40 14.796 14.014 -0.248 1.00 0.00
ATOM 646 CB MET A 40 15.703 14.967 1.450 1.00 0.00
ATOM 647 HB1 MET A 40 16.445 14.179 1.565 1.00 0.00
ATOM 648 HB2 MET A 40 16.192 15.909 1.685 1.00 0.00
ATOM 649 CG MET A 40 14.623 14.746 2.497 1.00 0.00
ATOM 650 HG1 MET A 40 13.837 15.490 2.375 1.00 0.00
ATOM 651 HG2 MET A 40 14.184 13.758 2.365 1.00 0.00
ATOM 652 SD MET A 40 15.269 14.864 4.177 1.00 0.00
ATOM 653 CE MET A 40 15.646 16.613 4.272 1.00 0.00
ATOM 654 HE1 MET A 40 16.046 16.847 5.258 1.00 0.00
ATOM 655 HE2 MET A 40 16.383 16.869 3.508 1.00 0.00
ATOM 656 HE3 MET A 40 14.739 17.190 4.103 1.00 0.00
ATOM 657 C MET A 40 14.103 16.014 -0.146 1.00 0.00
ATOM 658 O MET A 40 12.943 15.649 -0.357 1.00 0.00
ATOM 659 N ILE A 41 14.464 17.293 -0.033 1.00 0.00
ATOM 660 HN ILE A 41 15.394 17.618 0.126 1.00 0.00
ATOM 661 CA ILE A 41 13.476 18.349 -0.140 1.00 0.00
ATOM 662 HA ILE A 41 12.597 18.039 0.419 1.00 0.00
ATOM 663 CB ILE A 41 13.996 19.636 0.509 1.00 0.00
ATOM 664 HB ILE A 41 13.214 20.393 0.493 1.00 0.00
ATOM 665 CG2 ILE A 41 14.370 19.323 1.942 1.00 0.00
ATOM 666 HG21 ILE A 41 14.730 20.222 2.425 1.00 0.00
ATOM 667 HG22 ILE A 41 13.496 18.948 2.473 1.00 0.00
ATOM 668 HG23 ILE A 41 15.153 18.566 1.956 1.00 0.00
ATOM 669 CG1 ILE A 41 15.198 20.200 -0.252 1.00 0.00
ATOM 670 HG11 ILE A 41 16.033 19.513 -0.162 1.00 0.00