MSE - Results of analysis of file: 2sod.pdb
Uploaded file in: userfiles/2sod.pdb (size: 410103 bytes)
... Processing ...
START OF PROCESS: Wed Aug 06 18:04:50 PDT 2003
++++++++++
====> Read 1 PDB IDs
=======================================
Number of sites found in 2sod.pdb = 4
PDB: 2sod, Site: 2sod_s1
+ Making description file
++ Wrote description file 2sod_s1.desc
++ Wrote description file 2sod_s1.desc.xml
+ Making coordinates file
++ Wrote coordinates file: 2sod_s1.coord
+ Making Mini-PDB
++ Wrote File: 2sod_s1.pdb
+ Making Rasmol script
++ Wrote Rasmol Script: 2sod_s1.spt
+ Making Chime script
++ Wrote Chime definitions: 2sod_s1.chime
+ Making CML file
++ Wrote File: 2sod_s1.xml
PDB: 2sod, Site: 2sod_s2
+ Making description file
++ Wrote description file 2sod_s2.desc
++ Wrote description file 2sod_s2.desc.xml
+ Making coordinates file
++ Wrote coordinates file: 2sod_s2.coord
+ Making Mini-PDB
++ Wrote File: 2sod_s2.pdb
+ Making Rasmol script
++ Wrote Rasmol Script: 2sod_s2.spt
+ Making Chime script
++ Wrote Chime definitions: 2sod_s2.chime
+ Making CML file
++ Wrote File: 2sod_s2.xml
PDB: 2sod, Site: 2sod_s3
+ Making description file
++ Wrote description file 2sod_s3.desc
++ Wrote description file 2sod_s3.desc.xml
+ Making coordinates file
++ Wrote coordinates file: 2sod_s3.coord
+ Making Mini-PDB
++ Wrote File: 2sod_s3.pdb
+ Making Rasmol script
++ Wrote Rasmol Script: 2sod_s3.spt
+ Making Chime script
++ Wrote Chime definitions: 2sod_s3.chime
+ Making CML file
++ Wrote File: 2sod_s3.xml
PDB: 2sod, Site: 2sod_s4
+ Making description file
++ Wrote description file 2sod_s4.desc
++ Wrote description file 2sod_s4.desc.xml
+ Making coordinates file
++ Wrote coordinates file: 2sod_s4.coord
+ Making Mini-PDB
++ Wrote File: 2sod_s4.pdb
+ Making Rasmol script
++ Wrote Rasmol Script: 2sod_s4.spt
+ Making Chime script
++ Wrote Chime definitions: 2sod_s4.chime
+ Making CML file
++ Wrote File: 2sod_s4.xml
++++++++++
END OF PROCESS: Wed Aug 06 18:04:57 PDT 2003
2sod_s1.desc
Site: 2sod_s1
[general]
number_of_metal_centers;2
number_of_first_shell_ligands;8
number_of_metal_ligand-atom_bonds;9
number_of_ligand-atom_metal_ligand-atom_angles;16
number_of_first_shell_h-bonds;7
number_of_second_shell_ligands;34
number_of_second_shell_h-bonds;19
number_of_intershell_contacts;0
number_of_intershell_h-bonds;16
number_of_disulfide-bonds;0
[metal_centers]
metal_center_1;CU.1.O;pentacoordinated;CU binding site
metal_center_1_atom_1;CU.CU.1.O
metal_center_2;ZN.2.O;distorted tetrahedral;ZN binding site
metal_center_2_atom_1;ZN.ZN.2.O
[first_shell_ligands]
# full residue name; denticity
HIS.44.O;1
HIS.46.O;1
HIS.61.O;1
HIS.118.O;1
HOH.3.O;1
HIS.69.O;1
HIS.78.O;1
ASP.81.O;1
[metal_ligand-atom_bonds]
# metal atom; ligand atom; distance; type
CU.CU.1.O,ND1.HIS.44.O,2.0074546,M-L bond
CU.CU.1.O,NE2.HIS.46.O,2.1103191,M-L bond
CU.CU.1.O,NE2.HIS.61.O,2.2131639,M-L bond
CU.CU.1.O,NE2.HIS.118.O,2.0960212,M-L bond
CU.CU.1.O,O.HOH.3.O,3.1981292,M-Water bond
ZN.ZN.2.O,ND1.HIS.61.O,2.0946991,M-L bond
ZN.ZN.2.O,ND1.HIS.69.O,2.140547,M-L bond
ZN.ZN.2.O,ND1.HIS.78.O,2.0375605,M-L bond
ZN.ZN.2.O,OD1.ASP.81.O,1.9098946,M-O bond
[ligand-atom_metal_ligand-atom_angles]
# atom1; atom2; atom3; angle; dist(1-2); dist(2-3); dist(1-3);type
ND1.HIS.44.O,CU.CU.1.O,NE2.HIS.46.O,130.22617,2.0074546,2.1103191,3.7356489,L-M-L PROPER
ND1.HIS.44.O,CU.CU.1.O,NE2.HIS.61.O,74.74425,2.0074546,2.2131639,2.5670807,L-M-L PROPER
ND1.HIS.44.O,CU.CU.1.O,NE2.HIS.118.O,93.74577,2.0074546,2.0960212,2.995488,L-M-L PROPER
ND1.HIS.44.O,CU.CU.1.O,O.HOH.3.O,148.52377,2.0074546,3.1981292,5.0208325,L-M-L IMPROPER
NE2.HIS.46.O,CU.CU.1.O,NE2.HIS.61.O,89.08459,2.1103191,2.2131639,3.0335305,L-M-L PROPER
NE2.HIS.46.O,CU.CU.1.O,NE2.HIS.118.O,106.38315,2.1103191,2.0960212,3.367789,L-M-L PROPER
NE2.HIS.46.O,CU.CU.1.O,O.HOH.3.O,78.06623,2.1103191,3.1981292,3.4482343,L-M-L IMPROPER
NE2.HIS.61.O,CU.CU.1.O,NE2.HIS.118.O,164.48389,2.2131639,2.0960212,4.269772,L-M-L PROPER
NE2.HIS.61.O,CU.CU.1.O,O.HOH.3.O,95.035545,2.2131639,3.1981292,4.0458183,L-M-L IMPROPER
NE2.HIS.118.O,CU.CU.1.O,O.HOH.3.O,89.49693,2.0960212,3.1981292,3.8083622,L-M-L IMPROPER
ND1.HIS.61.O,ZN.ZN.2.O,ND1.HIS.69.O,111.14028,2.0946991,2.140547,3.4934077,L-M-L PROPER
ND1.HIS.61.O,ZN.ZN.2.O,ND1.HIS.78.O,107.51016,2.0946991,2.0375605,3.3328264,L-M-L PROPER
ND1.HIS.61.O,ZN.ZN.2.O,OD1.ASP.81.O,99.9534,2.0946991,1.9098946,3.0689518,L-M-L PROPER
ND1.HIS.69.O,ZN.ZN.2.O,ND1.HIS.78.O,130.04443,2.140547,2.0375605,3.7875853,L-M-L PROPER
ND1.HIS.69.O,ZN.ZN.2.O,OD1.ASP.81.O,78.6891,2.140547,1.9098946,2.5740962,L-M-L PROPER
ND1.HIS.78.O,ZN.ZN.2.O,OD1.ASP.81.O,124.06464,2.0375605,1.9098946,3.4869547,L-M-L PROPER
[first_shell_h-bonds]
# donor; acceptor; length; type
ND1.HIS.61.O,ND1.HIS.69.O,3.4934077,HBOND
ND1.HIS.61.O,ND1.HIS.78.O,3.3328264,HBOND
ND1.HIS.61.O,OD1.ASP.81.O,3.0689518,HBOND
ND1.HIS.69.O,OD1.ASP.81.O,2.5740962,HBOND
N.HIS.78.O,OD2.ASP.81.O,3.1909096,HBOND
ND1.HIS.78.O,OD1.ASP.81.O,3.4869547,HBOND
N.ASP.81.O,O.HIS.78.O,2.5009184,HBOND
[second_shell_components]
# full residue name
HIS.41.O
GLY.42.O
VAL.45.O
GLN.47.O
PHE.48.O
ALA.58.O
GLY.59.O
PRO.60.O
PHE.62.O
ASN.63.O
LYS.67.O
LYS.68.O
GLY.70.O
GLY.71.O
PRO.72.O
ARG.77.O
VAL.79.O
GLY.80.O
GLY.83.O
THR.114.O
MET.115.O
VAL.116.O
LYS.120.O
ASP.122.O
LEU.124.O
SER.132.O
LYS.134.O
THR.135.O
GLY.136.O
ALA.138.O
GLY.139.O
SER.140.O
ARG.141.O
LEU.142.O
[second_shell_h-bonds]
# donor; acceptor; length; type
N.GLY.42.O,O.LYS.120.O,3.0437884,HBOND
N.VAL.45.O,O.GLY.80.O,2.8805315,HBOND
N.GLN.47.O,O.PRO.60.O,2.5223262,HBOND
N.PHE.48.O,O.ALA.58.O,2.8017373,HBOND
N.PHE.62.O,O.VAL.45.O,2.8677263,HBOND
N.PHE.62.O,O.PRO.60.O,3.664948,HBOND
ND2.ASN.63.O,O.LYS.67.O,2.753302,HBOND
N.LYS.67.O,OD1.ASN.63.O,3.2242808,HBOND
NH1.ARG.77.O,O.PRO.72.O,2.5407186,HBOND
NH2.ARG.77.O,O.VAL.79.O,3.1023123,HBOND
N.GLY.80.O,O.PHE.62.O,2.7674174,HBOND
N.THR.114.O,O.PHE.48.O,3.5819726,HBOND
OG1.THR.114.O,O.PHE.48.O,2.5407019,HBOND
NZ.LYS.120.O,O.ALA.138.O,3.3345017,HBOND
N.LYS.134.O,O.SER.132.O,2.670248,HBOND
N.THR.135.O,O.SER.132.O,3.3854485,HBOND
N.ARG.141.O,O.GLY.139.O,3.0783846,HBOND
NH2.ARG.141.O,O.GLY.59.O,2.6296518,HBOND
N.LEU.142.O,O.SER.140.O,3.2590652,HBOND
[inter_shell_contacts]
# atom 1; atom 2; length; type
[inter_shell_h-bonds]
# donor; acceptor; length; type
ND1.HIS.41.O,O.HIS.118.O,3.090096,HBOND
N.HIS.44.O,O.VAL.116.O,3.025795,HBOND
N.HIS.46.O,O.THR.114.O,2.8416371,HBOND
ND1.HIS.46.O,O.GLY.59.O,2.3666697,HBOND
N.PHE.48.O,O.HIS.46.O,2.931093,HBOND
N.ASN.63.O,O.HIS.61.O,3.0875955,HBOND
NE.ARG.77.O,O.HIS.78.O,3.2823267,HBOND
NE.ARG.77.O,O.ASP.81.O,3.4496298,HBOND
N.HIS.78.O,O.LYS.68.O,3.1603162,HBOND
N.THR.114.O,O.HIS.46.O,3.305146,HBOND
N.VAL.116.O,O.HIS.44.O,2.8281336,HBOND
N.HIS.118.O,O.GLY.42.O,3.0130947,HBOND
ND1.HIS.118.O,O.GLY.139.O,2.2457225,HBOND
NZ.LYS.134.O,ND1.HIS.78.O,3.6666682,HBOND
NH2.ARG.141.O,ND1.HIS.46.O,2.6560802,HBOND
NH2.ARG.141.O,O.HOH.3.O,3.2289915,HBOND
[disulfide_bonds]
# atom1; atom2; length; type
2sod_s1.pdb
REMARK 800 SITE Metal-biding site number 1 from 2sod
REMARK 800 Automatically generated using MSIT
REMARK 800 <http://metallo.scripps.edu/docs/MSIT>
REMARK 800 SITE_IDENTIFIER: MET
REMARK 800 SITE_DESCRIPTION: Metal Atoms.
REMARK 800 SITE_IDENTIFIER: MS1
REMARK 800 SITE_DESCRIPTION: First Shell residues.
REMARK 800 SITE_IDENTIFIER: MS2
REMARK 800 SITE_DESCRIPTION: Second Shell residues.
SITE 1 MET 2 CU O1097 ZN O1098
SITE 1 MS1 10 HIS O 44 HIS O 46 HIS O 61
SITE 2 MS1 10 HIS O 118 CU O 1 HOH O 3
SITE 3 MS1 10 HIS O 69 HIS O 78 ASP O 81
SITE 4 MS1 10 ZN O 2
SITE 1 MS2 34 HIS O 41 GLY O 42 VAL O 45
SITE 2 MS2 34 GLN O 47 PHE O 48 ALA O 58
SITE 3 MS2 34 GLY O 59 PRO O 60 PHE O 62
SITE 4 MS2 34 ASN O 63 LYS O 67 LYS O 68
SITE 5 MS2 34 GLY O 70 GLY O 71 PRO O 72
SITE 6 MS2 34 ARG O 77 VAL O 79 GLY O 80
SITE 7 MS2 34 GLY O 83 THR O 114 MET O 115
SITE 8 MS2 34 VAL O 116 LYS O 120 ASP O 122
SITE 9 MS2 34 LEU O 124 SER O 132 LYS O 134
SITE 10 MS2 34 THR O 135 GLY O 136 ALA O 138
SITE 11 MS2 34 GLY O 139 SER O 140 ARG O 141
SITE 12 MS2 34 LEU O 142
ATOM 306 N HIS O 44 -17.159 6.085 -13.878 1.00 11.79 N34.0
ATOM 307 CA HIS O 44 -17.810 6.344 -15.084 1.00 11.84 C35.0
ATOM 308 C HIS O 44 -18.882 7.401 -15.317 1.00 11.87 C36.0
ATOM 309 O HIS O 44 -19.573 7.846 -14.415 1.00 11.80 O37.0
ATOM 310 CB HIS O 44 -18.864 5.095 -15.130 1.00 10.42 C38.0
ATOM 311 CG HIS O 44 -18.066 3.847 -15.069 1.00 9.94 C39.0
ATOM 312 ND1 HIS O 44 -18.635 2.736 -14.585 1.00 10.58 N40.0
ATOM 313 CD2 HIS O 44 -16.787 3.517 -15.423 1.00 9.74 C41.0
ATOM 314 CE1 HIS O 44 -17.698 1.728 -14.658 1.00 10.77 C42.0
ATOM 315 NE2 HIS O 44 -16.594 2.220 -15.147 1.00 8.72 N43.0
ATOM 323 N HIS O 46 -22.252 7.806 -17.148 1.00 11.70 N51.0
ATOM 324 CA HIS O 46 -23.465 7.118 -17.491 1.00 11.77 C52.0
ATOM 325 C HIS O 46 -24.348 7.984 -18.360 1.00 11.73 C53.0
ATOM 326 O HIS O 46 -24.677 9.086 -17.927 1.00 12.02 O54.0
ATOM 327 CB HIS O 46 -24.303 6.653 -16.203 1.00 8.93 C55.0
ATOM 328 CG HIS O 46 -23.558 5.401 -15.760 1.00 7.97 C56.0
ATOM 329 ND1 HIS O 46 -24.102 4.191 -15.997 1.00 7.81 N57.0
ATOM 330 CD2 HIS O 46 -22.314 5.173 -15.260 1.00 8.06 C58.0
ATOM 331 CE1 HIS O 46 -23.269 3.276 -15.599 1.00 9.60 C59.0
ATOM 332 NE2 HIS O 46 -22.160 3.851 -15.120 1.00 10.52 N60.0
ATOM 428 N HIS O 61 -23.167 3.542 -19.696 1.00 11.87 N56.0
ATOM 429 CA HIS O 61 -21.996 4.304 -19.977 1.00 11.94 C57.0
ATOM 430 C HIS O 61 -22.162 5.027 -21.332 1.00 11.98 C58.0
ATOM 431 O HIS O 61 -22.590 4.393 -22.320 1.00 11.88 O59.0
ATOM 432 CB HIS O 61 -20.685 3.469 -20.165 1.00 10.83 C60.0
ATOM 433 CG HIS O 61 -20.245 2.904 -18.847 1.00 10.61 C61.0
ATOM 434 ND1 HIS O 61 -19.236 1.992 -18.658 1.00 10.43 N62.0
ATOM 435 CD2 HIS O 61 -20.748 3.191 -17.633 1.00 9.99 C63.0
ATOM 436 CE1 HIS O 61 -19.132 1.720 -17.383 1.00 9.35 C64.0
ATOM 437 NE2 HIS O 61 -20.017 2.426 -16.726 1.00 9.48 N65.0
ATOM 856 N HIS O 118 -19.071 3.165 -8.550 1.00 11.90 N84.0
ATOM 857 CA HIS O 118 -19.535 1.820 -8.346 1.00 11.80 C85.0
ATOM 858 C HIS O 118 -18.944 1.208 -7.125 1.00 11.85 C86.0
ATOM 859 O HIS O 118 -17.948 1.680 -6.675 1.00 12.06 O87.0
ATOM 860 CB HIS O 118 -19.144 0.845 -9.554 1.00 8.75 C88.0
ATOM 861 CG HIS O 118 -19.937 1.289 -10.735 1.00 6.03 C89.0
ATOM 862 ND1 HIS O 118 -21.199 0.836 -10.952 1.00 4.11 N90.0
ATOM 863 CD2 HIS O 118 -19.676 2.183 -11.691 1.00 5.00 C91.0
ATOM 864 CE1 HIS O 118 -21.664 1.397 -12.034 1.00 5.25 C92.0
ATOM 865 NE2 HIS O 118 -20.750 2.234 -12.524 1.00 5.91 N93.0
HETATM 1097 CU CU O 1 -20.628 2.496 -14.600 1.00 10.92 CU25.0
HETATM 1099 O HOH O 3 -23.138 0.548 -14.965 1.00 11.02 O27.0
ATOM 496 N HIS O 69 -16.382 -1.725 -23.760 1.00 11.86 N24.0
ATOM 497 CA HIS O 69 -15.819 -1.205 -22.532 1.00 11.92 C25.0
ATOM 498 C HIS O 69 -14.395 -1.527 -22.279 1.00 12.01 C26.0
ATOM 499 O HIS O 69 -13.904 -2.654 -22.440 1.00 11.96 O27.0
ATOM 500 CB HIS O 69 -16.805 -1.676 -21.394 1.00 10.60 C28.0
ATOM 501 CG HIS O 69 -16.204 -1.285 -20.069 1.00 11.25 C29.0
ATOM 502 ND1 HIS O 69 -16.602 -0.212 -19.297 1.00 10.10 N30.0
ATOM 503 CD2 HIS O 69 -15.155 -1.884 -19.416 1.00 10.16 C31.0
ATOM 504 CE1 HIS O 69 -15.830 -0.182 -18.237 1.00 10.96 C32.0
ATOM 505 NE2 HIS O 69 -14.944 -1.193 -18.269 1.00 11.05 N33.0
ATOM 567 N HIS O 78 -15.157 3.182 -24.046 1.00 11.84 N95.0
ATOM 568 CA HIS O 78 -16.480 3.877 -23.944 1.00 11.92 C96.0
ATOM 569 C HIS O 78 -16.230 5.312 -23.552 1.00 11.91 C97.0
ATOM 570 O HIS O 78 -15.615 5.506 -22.475 1.00 11.94 O98.0
ATOM 571 CB HIS O 78 -16.942 2.905 -22.837 1.00 11.70 C99.0
ATOM 572 CG HIS O 78 -18.108 2.026 -23.027 1.00 10.88 C0.0
ATOM 573 ND1 HIS O 78 -18.766 1.464 -21.915 1.00 9.61 N1.0
ATOM 574 CD2 HIS O 78 -18.771 1.560 -24.087 1.00 9.08 C2.0
ATOM 575 CE1 HIS O 78 -19.768 0.788 -22.309 1.00 9.94 C3.0
ATOM 576 NE2 HIS O 78 -19.756 0.816 -23.628 1.00 9.90 N4.0
ATOM 588 N ASP O 81 -15.667 6.197 -20.072 1.00 11.90 N16.0
ATOM 589 CA ASP O 81 -14.894 5.486 -18.973 1.00 12.02 C17.0
ATOM 590 C ASP O 81 -13.458 5.851 -18.807 1.00 11.91 C18.0
ATOM 591 O ASP O 81 -12.604 5.840 -19.601 1.00 11.75 O19.0
ATOM 592 CB ASP O 81 -15.450 4.155 -18.811 1.00 11.81 C20.0
ATOM 593 CG ASP O 81 -15.464 3.169 -19.902 1.00 11.23 C21.0
ATOM 594 OD1 ASP O 81 -16.328 2.332 -19.578 1.00 10.92 O22.0
ATOM 595 OD2 ASP O 81 -14.725 3.240 -20.885 1.00 10.87 O23.0
HETATM 1098 ZN ZN O 2 -17.865 1.322 -20.093 1.00 10.73 ZN26.0
ATOM 281 N HIS O 41 -12.295 1.654 -7.249 1.00 11.92 N9.0
ATOM 282 CA HIS O 41 -13.645 1.379 -7.710 1.00 11.97 C10.0
ATOM 283 C HIS O 41 -13.981 2.161 -8.985 1.00 11.90 C11.0
ATOM 284 O HIS O 41 -13.415 3.161 -9.289 1.00 11.86 O12.0
ATOM 285 CB HIS O 41 -14.774 1.043 -6.821 1.00 12.74 C13.0
ATOM 286 CG HIS O 41 -14.615 1.388 -5.370 1.00 11.83 C14.0
ATOM 287 ND1 HIS O 41 -15.686 1.712 -4.570 1.00 11.35 N15.0
ATOM 288 CD2 HIS O 41 -13.516 1.386 -4.583 1.00 11.47 C16.0
ATOM 289 CE1 HIS O 41 -15.233 1.922 -3.375 1.00 11.93 C17.0
ATOM 290 NE2 HIS O 41 -13.944 1.730 -3.360 1.00 11.02 N18.0
ATOM 291 N GLY O 42 -14.850 1.501 -9.737 1.00 11.71 N19.0
ATOM 292 CA GLY O 42 -15.367 1.852 -11.003 1.00 11.91 C20.0
ATOM 293 C GLY O 42 -15.823 3.327 -11.025 1.00 11.92 C21.0
ATOM 294 O GLY O 42 -16.591 3.686 -10.180 1.00 11.79 O22.0
ATOM 316 N VAL O 45 -19.036 7.697 -16.600 1.00 11.86 N44.0
ATOM 317 CA VAL O 45 -20.094 8.689 -16.978 1.00 12.02 C45.0
ATOM 318 C VAL O 45 -21.100 7.816 -17.764 1.00 11.89 C46.0
ATOM 319 O VAL O 45 -20.900 7.122 -18.726 1.00 11.86 O47.0
ATOM 320 CB VAL O 45 -19.621 10.084 -17.363 1.00 11.95 C48.0
ATOM 321 CG1 VAL O 45 -18.138 10.329 -17.538 1.00 9.39 C49.0
ATOM 322 CG2 VAL O 45 -20.399 10.651 -18.604 1.00 12.42 C50.0
ATOM 333 N GLN O 47 -24.687 7.548 -19.528 1.00 9.30 N61.0
ATOM 334 CA GLN O 47 -25.486 8.238 -20.466 1.00 8.66 C62.0
ATOM 335 C GLN O 47 -26.443 9.290 -19.974 1.00 7.65 C63.0
ATOM 336 O GLN O 47 -26.311 10.443 -20.503 1.00 7.98 O64.0
ATOM 337 CB GLN O 47 -26.126 7.128 -21.330 1.00 7.28 C65.0
ATOM 338 CG GLN O 47 -25.882 7.599 -22.800 1.00 8.86 C66.0
ATOM 339 CD GLN O 47 -27.204 7.352 -23.559 1.00 10.58 C67.0
ATOM 340 OE1 GLN O 47 -28.213 7.958 -23.198 1.00 10.74 O68.0
ATOM 341 NE2 GLN O 47 -27.150 6.494 -24.542 1.00 10.62 N69.0
ATOM 342 N PHE O 48 -27.379 9.083 -19.063 1.00 7.53 N70.0
ATOM 343 CA PHE O 48 -28.333 10.160 -18.655 1.00 6.37 C71.0
ATOM 344 C PHE O 48 -28.190 10.818 -17.310 1.00 5.53 C72.0
ATOM 345 O PHE O 48 -27.727 10.195 -16.415 1.00 4.96 O73.0
ATOM 346 CB PHE O 48 -29.794 9.612 -18.678 1.00 3.54 C74.0
ATOM 347 CG PHE O 48 -30.014 8.858 -19.924 1.00 4.20 C75.0
ATOM 348 CD1 PHE O 48 -29.922 7.465 -19.922 1.00 4.39 C76.0
ATOM 349 CD2 PHE O 48 -30.254 9.549 -21.122 1.00 3.66 C77.0
ATOM 350 CE1 PHE O 48 -30.070 6.737 -21.124 1.00 2.00 C78.0
ATOM 351 CE2 PHE O 48 -30.422 8.836 -22.309 1.00 2.13 C79.0
ATOM 352 CZ PHE O 48 -30.338 7.427 -22.287 1.00 2.00 C80.0
ATOM 412 N ALA O 58 -29.866 6.578 -14.817 1.00 6.55 N40.0
ATOM 413 CA ALA O 58 -28.690 7.019 -15.499 1.00 6.06 C41.0
ATOM 414 C ALA O 58 -28.378 6.207 -16.734 1.00 6.02 C42.0
ATOM 415 O ALA O 58 -28.010 6.663 -17.800 1.00 6.70 O43.0
ATOM 416 CB ALA O 58 -27.495 6.942 -14.528 1.00 5.19 C44.0
ATOM 417 N GLY O 59 -28.545 4.919 -16.600 1.00 7.92 N45.0
ATOM 418 CA GLY O 59 -28.412 3.858 -17.556 1.00 8.39 C46.0
ATOM 419 C GLY O 59 -27.013 3.518 -17.826 1.00 9.06 C47.0
ATOM 420 O GLY O 59 -26.237 3.754 -16.920 1.00 9.93 O48.0
ATOM 421 N PRO O 60 -26.704 2.977 -19.011 1.00 9.83 N49.0
ATOM 422 CA PRO O 60 -25.333 2.637 -19.352 1.00 9.94 C50.0
ATOM 423 C PRO O 60 -24.443 3.873 -19.552 1.00 9.94 C51.0
ATOM 424 O PRO O 60 -24.799 5.029 -19.593 1.00 7.50 O52.0
ATOM 425 CB PRO O 60 -25.478 1.782 -20.640 1.00 10.03 C53.0
ATOM 426 CG PRO O 60 -26.771 2.246 -21.250 1.00 9.84 C54.0
ATOM 427 CD PRO O 60 -27.635 2.686 -20.100 1.00 9.42 C55.0
ATOM 438 N PHE O 62 -21.807 6.268 -21.309 1.00 11.86 N66.0
ATOM 439 CA PHE O 62 -21.929 7.079 -22.567 1.00 11.89 C67.0
ATOM 440 C PHE O 62 -20.935 6.620 -23.602 1.00 11.83 C68.0
ATOM 441 O PHE O 62 -19.681 6.710 -23.557 1.00 11.83 O69.0
ATOM 442 CB PHE O 62 -21.897 8.515 -22.132 1.00 11.58 C70.0
ATOM 443 CG PHE O 62 -21.721 9.560 -23.158 1.00 11.01 C71.0
ATOM 444 CD1 PHE O 62 -20.436 9.786 -23.626 1.00 12.59 C72.0
ATOM 445 CD2 PHE O 62 -22.744 10.301 -23.684 1.00 9.36 C73.0
ATOM 446 CE1 PHE O 62 -20.172 10.791 -24.594 1.00 11.66 C74.0
ATOM 447 CE2 PHE O 62 -22.510 11.257 -24.635 1.00 9.95 C75.0
ATOM 448 CZ PHE O 62 -21.233 11.508 -25.083 1.00 10.09 C76.0
ATOM 449 N ASN O 63 -21.481 6.062 -24.669 1.00 10.99 N77.0
ATOM 450 CA ASN O 63 -20.795 5.491 -25.831 1.00 9.24 C78.0
ATOM 451 C ASN O 63 -21.351 5.966 -27.130 1.00 9.55 C79.0
ATOM 452 O ASN O 63 -21.992 5.044 -27.729 1.00 9.60 O80.0
ATOM 453 CB ASN O 63 -21.463 4.054 -25.838 1.00 7.00 C81.0
ATOM 454 CG ASN O 63 -20.476 3.005 -26.111 1.00 6.41 C82.0
ATOM 455 OD1 ASN O 63 -19.316 3.205 -26.423 1.00 6.12 O83.0
ATOM 456 ND2 ASN O 63 -20.957 1.801 -25.932 1.00 7.07 N84.0
ATOM 478 N LYS O 67 -19.081 1.587 -29.202 1.00 8.23 N6.0
ATOM 479 CA LYS O 67 -18.119 0.581 -28.793 1.00 7.47 C7.0
ATOM 480 C LYS O 67 -18.217 -0.194 -27.490 1.00 7.62 C8.0
ATOM 481 O LYS O 67 -19.136 -0.136 -26.648 1.00 6.43 O9.0
ATOM 482 CB LYS O 67 -16.731 1.189 -28.639 1.00 6.20 C10.0
ATOM 483 CG LYS O 67 -16.249 2.219 -29.643 1.00 5.75 C11.0
ATOM 484 CD LYS O 67 -14.789 2.414 -29.288 1.00 5.99 C12.0
ATOM 485 CE LYS O 67 -13.851 2.810 -30.338 1.00 7.00 C13.0
ATOM 486 NZ LYS O 67 -14.252 3.831 -31.245 1.00 7.53 N14.0
ATOM 487 N LYS O 68 -17.054 -0.914 -27.276 1.00 8.15 N15.0
ATOM 488 CA LYS O 68 -17.060 -1.663 -25.986 1.00 9.68 C16.0
ATOM 489 C LYS O 68 -16.330 -0.937 -24.837 1.00 11.26 C17.0
ATOM 490 O LYS O 68 -15.842 0.196 -24.822 1.00 11.69 O18.0
ATOM 491 CB LYS O 68 -16.809 -3.095 -25.983 1.00 8.22 C19.0
ATOM 492 CG LYS O 68 -16.209 -3.907 -27.049 1.00 7.42 C20.0
ATOM 493 CD LYS O 68 -16.804 -5.283 -27.200 1.00 9.89 C21.0
ATOM 494 CE LYS O 68 -15.714 -6.114 -27.977 1.00 12.77 C22.0
ATOM 495 NZ LYS O 68 -16.053 -7.601 -27.778 1.00 14.29 N23.0
ATOM 506 N GLY O 70 -13.677 -0.471 -21.815 1.00 12.03 N34.0
ATOM 507 CA GLY O 70 -12.283 -0.497 -21.467 1.00 11.43 C35.0
ATOM 508 C GLY O 70 -11.897 0.495 -20.409 1.00 11.65 C36.0
ATOM 509 O GLY O 70 -12.736 0.953 -19.595 1.00 11.98 O37.0
ATOM 510 N GLY O 71 -10.585 0.808 -20.406 1.00 11.51 N38.0
ATOM 511 CA GLY O 71 -9.955 1.764 -19.480 1.00 11.11 C39.0
ATOM 512 C GLY O 71 -9.818 3.120 -20.214 1.00 10.56 C40.0
ATOM 513 O GLY O 71 -10.071 3.197 -21.403 1.00 10.64 O41.0
ATOM 514 N PRO O 72 -9.398 4.126 -19.464 1.00 10.89 N42.0
ATOM 515 CA PRO O 72 -9.186 5.479 -19.973 1.00 10.45 C43.0
ATOM 516 C PRO O 72 -8.348 5.503 -21.242 1.00 10.84 C44.0
ATOM 517 O PRO O 72 -8.354 6.158 -22.272 1.00 10.44 O45.0
ATOM 518 CB PRO O 72 -8.362 6.170 -18.864 1.00 10.67 C46.0
ATOM 519 CG PRO O 72 -8.271 5.301 -17.688 1.00 10.35 C47.0
ATOM 520 CD PRO O 72 -9.057 4.002 -18.018 1.00 10.61 C48.0
ATOM 556 N ARG O 77 -12.584 1.681 -25.936 1.00 9.31 N84.0
ATOM 557 CA ARG O 77 -13.142 2.302 -24.724 1.00 9.62 C85.0
ATOM 558 C ARG O 77 -14.402 3.068 -25.093 1.00 10.44 C86.0
ATOM 559 O ARG O 77 -14.758 3.513 -26.197 1.00 9.19 O87.0
ATOM 560 CB ARG O 77 -11.975 3.098 -24.188 1.00 8.57 C88.0
ATOM 561 CG ARG O 77 -12.240 4.177 -23.225 1.00 7.33 C89.0
ATOM 562 CD ARG O 77 -11.615 5.451 -23.612 1.00 6.26 C90.0
ATOM 563 NE ARG O 77 -12.518 6.462 -22.993 1.00 6.27 N91.0
ATOM 564 CZ ARG O 77 -11.885 7.462 -22.323 1.00 5.47 C92.0
ATOM 565 NH1 ARG O 77 -10.574 7.391 -22.353 1.00 2.00 N93.0
ATOM 566 NH2 ARG O 77 -12.654 8.358 -21.718 1.00 5.04 N94.0
ATOM 577 N VAL O 79 -16.614 6.326 -24.275 1.00 11.92 N5.0
ATOM 578 CA VAL O 79 -16.367 7.753 -23.882 1.00 12.00 C6.0
ATOM 579 C VAL O 79 -16.531 7.886 -22.350 1.00 11.96 C7.0
ATOM 580 O VAL O 79 -15.752 8.512 -21.663 1.00 11.97 O8.0
ATOM 581 CB VAL O 79 -17.236 8.756 -24.720 1.00 10.13 C9.0
ATOM 582 CG1 VAL O 79 -17.172 10.200 -24.160 1.00 10.93 C10.0
ATOM 583 CG2 VAL O 79 -16.916 8.846 -26.189 1.00 9.77 C11.0
ATOM 584 N GLY O 80 -17.593 7.260 -21.826 1.00 11.86 N12.0
ATOM 585 CA GLY O 80 -17.852 7.309 -20.418 1.00 11.92 C13.0
ATOM 586 C GLY O 80 -16.860 6.585 -19.566 1.00 11.93 C14.0
ATOM 587 O GLY O 80 -17.192 6.349 -18.355 1.00 11.99 O15.0
ATOM 604 N GLY O 83 -12.089 4.740 -15.748 1.00 11.94 N32.0
ATOM 605 CA GLY O 83 -11.545 3.661 -14.974 1.00 11.90 C33.0
ATOM 606 C GLY O 83 -11.865 3.511 -13.538 1.00 11.96 C34.0
ATOM 607 O GLY O 83 -13.081 3.468 -13.231 1.00 11.94 O35.0
ATOM 827 N THR O 114 -24.536 11.769 -16.002 1.00 11.55 N55.0
ATOM 828 CA THR O 114 -24.313 11.347 -14.633 1.00 11.92 C56.0
ATOM 829 C THR O 114 -22.940 10.686 -14.493 1.00 11.89 C57.0
ATOM 830 O THR O 114 -22.473 9.949 -15.295 1.00 11.88 O58.0
ATOM 831 CB THR O 114 -25.467 10.527 -13.954 1.00 11.40 C59.0
ATOM 832 OG1 THR O 114 -26.730 11.163 -14.288 1.00 10.92 O60.0
ATOM 833 CG2 THR O 114 -25.425 10.484 -12.405 1.00 11.83 C61.0
ATOM 834 N MET O 115 -22.321 11.060 -13.386 1.00 11.93 N62.0
ATOM 835 CA MET O 115 -21.093 10.650 -12.840 1.00 11.91 C63.0
ATOM 836 C MET O 115 -21.449 9.542 -11.797 1.00 11.85 C64.0
ATOM 837 O MET O 115 -22.188 9.884 -10.898 1.00 11.81 O65.0
ATOM 838 CB MET O 115 -20.371 11.753 -12.071 1.00 9.10 C66.0
ATOM 839 CG MET O 115 -19.240 12.258 -12.842 1.00 8.38 C67.0
ATOM 840 SD MET O 115 -17.806 11.131 -12.837 1.00 9.13 S68.0
ATOM 841 CE MET O 115 -17.368 11.149 -14.570 1.00 6.00 C69.0
ATOM 842 N VAL O 116 -20.960 8.348 -12.002 1.00 11.94 N70.0
ATOM 843 CA VAL O 116 -21.174 7.232 -11.064 1.00 11.95 C71.0
ATOM 844 C VAL O 116 -19.787 6.616 -10.695 1.00 11.94 C72.0
ATOM 845 O VAL O 116 -18.767 6.514 -11.351 1.00 11.87 O73.0
ATOM 846 CB VAL O 116 -22.252 6.190 -11.418 1.00 10.50 C74.0
ATOM 847 CG1 VAL O 116 -22.116 5.752 -12.866 1.00 11.62 C75.0
ATOM 848 CG2 VAL O 116 -22.341 4.918 -10.570 1.00 8.90 C76.0
ATOM 875 N LYS O 120 -17.489 -1.721 -6.854 1.00 9.92 N3.0
ATOM 876 CA LYS O 120 -16.549 -2.812 -7.144 1.00 8.79 C4.0
ATOM 877 C LYS O 120 -15.658 -2.204 -8.233 1.00 8.79 C5.0
ATOM 878 O LYS O 120 -16.005 -1.162 -8.821 1.00 8.41 O6.0
ATOM 879 CB LYS O 120 -17.216 -4.111 -7.510 1.00 7.51 C7.0
ATOM 880 CG LYS O 120 -17.851 -4.916 -6.364 1.00 7.42 C8.0
ATOM 881 CD LYS O 120 -18.910 -5.886 -6.829 1.00 6.64 C9.0
ATOM 882 CE LYS O 120 -18.241 -7.054 -7.569 1.00 7.41 C10.0
ATOM 883 NZ LYS O 120 -18.872 -7.106 -8.931 1.00 8.85 N11.0
ATOM 891 N ASP O 122 -13.666 -2.221 -11.814 1.00 9.14 N19.0
ATOM 892 CA ASP O 122 -13.704 -2.278 -13.243 1.00 9.31 C20.0
ATOM 893 C ASP O 122 -12.509 -3.187 -13.687 1.00 9.46 C21.0
ATOM 894 O ASP O 122 -11.358 -2.950 -13.188 1.00 9.47 O22.0
ATOM 895 CB ASP O 122 -13.434 -0.868 -13.867 1.00 9.08 C23.0
ATOM 896 CG ASP O 122 -13.808 -0.536 -15.241 1.00 9.36 C24.0
ATOM 897 OD1 ASP O 122 -13.767 -1.333 -16.227 1.00 10.32 O25.0
ATOM 898 OD2 ASP O 122 -14.232 0.630 -15.505 1.00 8.41 O26.0
ATOM 907 N LEU O 124 -11.485 -3.057 -16.408 1.00 11.80 N35.0
ATOM 908 CA LEU O 124 -11.071 -2.032 -17.321 1.00 11.81 C36.0
ATOM 909 C LEU O 124 -10.899 -2.652 -18.714 1.00 12.49 C37.0
ATOM 910 O LEU O 124 -11.686 -3.611 -19.078 1.00 11.68 O38.0
ATOM 911 CB LEU O 124 -10.080 -1.150 -16.660 1.00 10.03 C39.0
ATOM 912 CG LEU O 124 -8.668 -1.495 -16.389 1.00 8.34 C40.0
ATOM 913 CD1 LEU O 124 -7.731 -0.720 -17.318 1.00 9.39 C41.0
ATOM 914 CD2 LEU O 124 -8.338 -1.165 -14.929 1.00 8.38 C42.0
ATOM 964 N SER O 132 -18.298 -7.901 -19.022 1.00 9.51 N92.0
ATOM 965 CA SER O 132 -16.976 -7.247 -18.681 1.00 10.16 C93.0
ATOM 966 C SER O 132 -16.955 -6.201 -19.788 1.00 11.13 C94.0
ATOM 967 O SER O 132 -17.015 -5.056 -19.512 1.00 11.74 O95.0
ATOM 968 CB SER O 132 -15.876 -8.197 -18.628 1.00 9.00 C96.0
ATOM 969 OG SER O 132 -14.678 -7.407 -18.692 1.00 6.79 O97.0
ATOM 977 N LYS O 134 -18.265 -4.398 -21.778 1.00 12.29 N5.0
ATOM 978 CA LYS O 134 -19.383 -3.476 -21.907 1.00 12.85 C6.0
ATOM 979 C LYS O 134 -20.300 -3.802 -20.737 1.00 12.87 C7.0
ATOM 980 O LYS O 134 -21.345 -4.432 -20.759 1.00 12.19 O8.0
ATOM 981 CB LYS O 134 -19.954 -3.456 -23.321 1.00 13.08 C9.0
ATOM 982 CG LYS O 134 -19.972 -2.048 -23.982 1.00 10.61 C10.0
ATOM 983 CD LYS O 134 -21.242 -1.332 -23.910 1.00 11.40 C11.0
ATOM 984 CE LYS O 134 -22.188 -1.196 -22.786 1.00 13.07 C12.0
ATOM 985 NZ LYS O 134 -21.774 -0.581 -21.452 1.00 14.25 N13.0
ATOM 986 N THR O 135 -19.871 -3.242 -19.630 1.00 12.97 N14.0
ATOM 987 CA THR O 135 -19.912 -2.882 -18.291 1.00 12.56 C15.0
ATOM 988 C THR O 135 -18.498 -2.898 -17.662 1.00 13.09 C16.0
ATOM 989 O THR O 135 -17.523 -2.502 -18.444 1.00 13.13 O17.0
ATOM 990 CB THR O 135 -20.991 -3.460 -17.300 1.00 12.77 C18.0
ATOM 991 OG1 THR O 135 -21.231 -2.242 -16.474 1.00 11.86 O19.0
ATOM 992 CG2 THR O 135 -20.693 -4.597 -16.337 1.00 11.92 C20.0
ATOM 993 N GLY O 136 -18.259 -3.279 -16.432 1.00 12.15 N21.0
ATOM 994 CA GLY O 136 -16.767 -3.255 -16.071 1.00 12.55 C22.0
ATOM 995 C GLY O 136 -16.572 -4.473 -15.154 1.00 11.88 C23.0
ATOM 996 O GLY O 136 -15.559 -5.049 -14.926 1.00 12.67 O24.0
ATOM 1005 N ALA O 138 -17.859 -3.709 -12.390 1.00 11.22 N33.0
ATOM 1006 CA ALA O 138 -17.818 -2.735 -11.255 1.00 11.34 C34.0
ATOM 1007 C ALA O 138 -19.053 -3.117 -10.443 1.00 11.92 C35.0
ATOM 1008 O ALA O 138 -18.996 -3.800 -9.348 1.00 13.09 O36.0
ATOM 1009 CB ALA O 138 -17.726 -1.374 -11.815 1.00 11.58 C37.0
ATOM 1010 N GLY O 139 -20.224 -2.833 -10.997 1.00 11.42 N38.0
ATOM 1011 CA GLY O 139 -21.450 -3.243 -10.278 1.00 10.58 C39.0
ATOM 1012 C GLY O 139 -22.142 -2.139 -9.564 1.00 9.52 C40.0
ATOM 1013 O GLY O 139 -22.152 -0.981 -10.039 1.00 10.40 O41.0
ATOM 1014 N SER O 140 -22.736 -2.481 -8.441 1.00 9.35 N42.0
ATOM 1015 CA SER O 140 -23.556 -1.541 -7.641 1.00 9.07 C43.0
ATOM 1016 C SER O 140 -22.995 -0.155 -7.376 1.00 8.71 C44.0
ATOM 1017 O SER O 140 -22.113 0.198 -6.631 1.00 9.19 O45.0
ATOM 1018 CB SER O 140 -24.042 -2.327 -6.423 1.00 8.49 C46.0
ATOM 1019 OG SER O 140 -24.401 -1.501 -5.334 1.00 8.82 O47.0
ATOM 1020 N ARG O 141 -23.597 0.821 -8.004 1.00 8.76 N48.0
ATOM 1021 CA ARG O 141 -23.411 2.253 -7.983 1.00 8.77 C49.0
ATOM 1022 C ARG O 141 -23.815 2.851 -6.672 1.00 9.42 C50.0
ATOM 1023 O ARG O 141 -25.068 3.019 -6.486 1.00 11.66 O51.0
ATOM 1024 CB ARG O 141 -24.404 2.890 -8.990 1.00 8.78 C52.0
ATOM 1025 CG ARG O 141 -24.815 1.988 -10.119 1.00 8.42 C53.0
ATOM 1026 CD ARG O 141 -25.689 2.673 -11.067 1.00 9.58 C54.0
ATOM 1027 NE ARG O 141 -25.252 2.437 -12.452 1.00 9.29 N55.0
ATOM 1028 CZ ARG O 141 -26.149 2.536 -13.455 1.00 8.26 C56.0
ATOM 1029 NH1 ARG O 141 -27.443 2.717 -13.161 1.00 6.19 N57.0
ATOM 1030 NH2 ARG O 141 -25.679 2.518 -14.667 1.00 7.04 N58.0
ATOM 1031 N LEU O 142 -22.972 3.233 -5.811 1.00 9.37 N59.0
ATOM 1032 CA LEU O 142 -23.490 3.814 -4.559 1.00 11.29 C60.0
ATOM 1033 C LEU O 142 -23.564 5.320 -4.542 1.00 10.98 C61.0
ATOM 1034 O LEU O 142 -23.994 5.850 -3.450 1.00 11.16 O62.0
ATOM 1035 CB LEU O 142 -22.662 3.048 -3.470 1.00 13.84 C63.0
ATOM 1036 CG LEU O 142 -21.161 3.048 -3.381 1.00 14.60 C64.0
ATOM 1037 CD1 LEU O 142 -20.404 1.838 -3.902 1.00 12.37 C65.0
ATOM 1038 CD2 LEU O 142 -20.588 4.250 -4.245 1.00 15.92 C66.0
2sod_s2.desc
Site: 2sod_s2
[general]
number_of_metal_centers;2
number_of_first_shell_ligands;8
number_of_metal_ligand-atom_bonds;9
number_of_ligand-atom_metal_ligand-atom_angles;16
number_of_first_shell_h-bonds;9
number_of_second_shell_ligands;32
number_of_second_shell_h-bonds;10
number_of_intershell_contacts;0
number_of_intershell_h-bonds;19
number_of_disulfide-bonds;0
[metal_centers]
metal_center_1;CU.1.Y;pentacoordinated;CU binding site
metal_center_1_atom_1;CU.CU.1.Y
metal_center_2;ZN.2.Y;tetrahedral;ZN binding site
metal_center_2_atom_1;ZN.ZN.2.Y
[first_shell_ligands]
# full residue name; denticity
HIS.44.Y;1
HIS.46.Y;1
HIS.61.Y;1
HIS.118.Y;1
HOH.3.Y;1
HIS.69.Y;1
HIS.78.Y;1
ASP.81.Y;1
[metal_ligand-atom_bonds]
# metal atom; ligand atom; distance; type
CU.CU.1.Y,ND1.HIS.44.Y,1.9594113,M-L bond
CU.CU.1.Y,NE2.HIS.46.Y,2.120559,M-L bond
CU.CU.1.Y,NE2.HIS.61.Y,1.9823062,M-L bond
CU.CU.1.Y,NE2.HIS.118.Y,1.9887943,M-L bond
CU.CU.1.Y,O.HOH.3.Y,2.4905372,M-Water bond
ZN.ZN.2.Y,ND1.HIS.61.Y,2.0719662,M-L bond
ZN.ZN.2.Y,ND1.HIS.69.Y,2.0811102,M-L bond
ZN.ZN.2.Y,ND1.HIS.78.Y,2.1603427,M-L bond
ZN.ZN.2.Y,OD1.ASP.81.Y,2.072647,M-O bond
[ligand-atom_metal_ligand-atom_angles]
# atom1; atom2; atom3; angle; dist(1-2); dist(2-3); dist(1-3);type
ND1.HIS.44.Y,CU.CU.1.Y,NE2.HIS.46.Y,137.03493,1.9594113,2.120559,3.7969904,L-M-L PROPER
ND1.HIS.44.Y,CU.CU.1.Y,NE2.HIS.61.Y,78.74636,1.9594113,1.9823062,2.500565,L-M-L PROPER
ND1.HIS.44.Y,CU.CU.1.Y,NE2.HIS.118.Y,91.23427,1.9594113,1.9887943,2.821786,L-M-L PROPER
ND1.HIS.44.Y,CU.CU.1.Y,O.HOH.3.Y,119.29176,1.9594113,2.4905372,3.849312,L-M-L PROPER
NE2.HIS.46.Y,CU.CU.1.Y,NE2.HIS.61.Y,87.049515,2.120559,1.9823062,2.8272896,L-M-L PROPER
NE2.HIS.46.Y,CU.CU.1.Y,NE2.HIS.118.Y,109.909325,2.120559,1.9887943,3.3651698,L-M-L PROPER
NE2.HIS.46.Y,CU.CU.1.Y,O.HOH.3.Y,95.92412,2.120559,2.4905372,3.4336176,L-M-L PROPER
NE2.HIS.61.Y,CU.CU.1.Y,NE2.HIS.118.Y,162.35577,1.9823062,1.9887943,3.9241197,L-M-L PROPER
NE2.HIS.61.Y,CU.CU.1.Y,O.HOH.3.Y,76.827835,1.9823062,2.4905372,2.8075333,L-M-L PROPER
NE2.HIS.118.Y,CU.CU.1.Y,O.HOH.3.Y,95.99878,1.9887943,2.4905372,3.3456483,L-M-L PROPER
ND1.HIS.61.Y,ZN.ZN.2.Y,ND1.HIS.69.Y,110.78346,2.0719662,2.0811102,3.4182117,L-M-L PROPER
ND1.HIS.61.Y,ZN.ZN.2.Y,ND1.HIS.78.Y,109.62946,2.0719662,2.1603427,3.4594116,L-M-L PROPER
ND1.HIS.61.Y,ZN.ZN.2.Y,OD1.ASP.81.Y,114.21026,2.0719662,2.072647,3.4801013,L-M-L PROPER
ND1.HIS.69.Y,ZN.ZN.2.Y,ND1.HIS.78.Y,119.67214,2.0811102,2.1603427,3.6673393,L-M-L PROPER
ND1.HIS.69.Y,ZN.ZN.2.Y,OD1.ASP.81.Y,104.90166,2.0811102,2.072647,3.2932298,L-M-L PROPER
ND1.HIS.78.Y,ZN.ZN.2.Y,OD1.ASP.81.Y,96.99975,2.1603427,2.072647,3.1708481,L-M-L PROPER
[first_shell_h-bonds]
# donor; acceptor; length; type
N.HIS.46.Y,O.HIS.44.Y,3.358949,HBOND
ND1.HIS.61.Y,ND1.HIS.69.Y,3.4182117,HBOND
ND1.HIS.61.Y,ND1.HIS.78.Y,3.4594116,HBOND
ND1.HIS.61.Y,OD1.ASP.81.Y,3.4801013,HBOND
ND1.HIS.69.Y,ND1.HIS.78.Y,3.6673393,HBOND
ND1.HIS.69.Y,OD1.ASP.81.Y,3.2932298,HBOND
N.HIS.78.Y,OD2.ASP.81.Y,2.6823833,HBOND
ND1.HIS.78.Y,OD1.ASP.81.Y,3.1708481,HBOND
N.ASP.81.Y,O.HIS.78.Y,3.1043262,HBOND
[second_shell_components]
# full residue name
HIS.41.Y
GLY.42.Y
VAL.45.Y
GLN.47.Y
PHE.48.Y
ALA.58.Y
GLY.59.Y
PHE.62.Y
ASN.63.Y
LYS.67.Y
LYS.68.Y
GLY.70.Y
GLU.76.Y
ARG.77.Y
VAL.79.Y
GLY.80.Y
GLY.83.Y
ARG.113.Y
THR.114.Y
MET.115.Y
VAL.116.Y
LYS.120.Y
ASP.122.Y
GLY.125.Y
SER.132.Y
THR.133.Y
LYS.134.Y
THR.135.Y
GLY.136.Y
ALA.138.Y
SER.140.Y
ARG.141.Y
[second_shell_h-bonds]
# donor; acceptor; length; type
N.GLY.42.Y,O.LYS.120.Y,2.9147768,HBOND
N.VAL.45.Y,O.GLY.80.Y,2.8498366,HBOND
N.PHE.48.Y,O.ALA.58.Y,2.767918,HBOND
N.PHE.62.Y,O.VAL.45.Y,2.9425275,HBOND
N.LYS.67.Y,OD1.ASN.63.Y,3.0779564,HBOND
N.VAL.79.Y,O.PHE.62.Y,3.0260036,HBOND
N.GLY.80.Y,O.PHE.62.Y,3.0419123,HBOND
OG1.THR.114.Y,O.PHE.48.Y,2.4838362,HBOND
N.LYS.120.Y,ND1.HIS.41.Y,3.665075,HBOND
NH2.ARG.141.Y,O.GLY.59.Y,2.4857783,HBOND
[inter_shell_contacts]
# atom 1; atom 2; length; type
[inter_shell_h-bonds]
# donor; acceptor; length; type
ND1.HIS.41.Y,O.HIS.118.Y,3.0854769,HBOND
N.GLY.42.Y,O.HIS.118.Y,3.5575292,HBOND
N.HIS.44.Y,O.VAL.116.Y,3.0360808,HBOND
N.HIS.46.Y,O.THR.114.Y,2.838929,HBOND
ND1.HIS.46.Y,O.GLY.59.Y,2.9825234,HBOND
N.PHE.48.Y,O.HIS.46.Y,2.7116408,HBOND
N.ASN.63.Y,O.HIS.61.Y,3.2042763,HBOND
N.HIS.69.Y,O.THR.133.Y,3.1807482,HBOND
N.GLY.70.Y,OD2.ASP.81.Y,2.7462466,HBOND
NE.ARG.77.Y,O.HIS.78.Y,3.5480032,HBOND
NH1.ARG.77.Y,O.ASP.81.Y,2.5045202,HBOND
N.HIS.78.Y,O.LYS.68.Y,3.4277573,HBOND
N.THR.114.Y,O.HIS.46.Y,3.1125107,HBOND
N.VAL.116.Y,O.HIS.44.Y,3.0202086,HBOND
N.HIS.118.Y,O.GLY.42.Y,3.1017878,HBOND
ND1.HIS.118.Y,O.SER.140.Y,2.4436977,HBOND
N.LYS.120.Y,O.HIS.118.Y,3.69147,HBOND
N.SER.140.Y,ND1.HIS.118.Y,3.2866864,HBOND
NH2.ARG.141.Y,ND1.HIS.46.Y,3.0412922,HBOND
[disulfide_bonds]
# atom1; atom2; length; type
2sod_s2.pdb
REMARK 800 SITE Metal-biding site number 2 from 2sod
REMARK 800 Automatically generated using MSIT
REMARK 800 <http://metallo.scripps.edu/docs/MSIT>
REMARK 800 SITE_IDENTIFIER: MET
REMARK 800 SITE_DESCRIPTION: Metal Atoms.
REMARK 800 SITE_IDENTIFIER: MS1
REMARK 800 SITE_DESCRIPTION: First Shell residues.
REMARK 800 SITE_IDENTIFIER: MS2
REMARK 800 SITE_DESCRIPTION: Second Shell residues.
SITE 1 MET 2 CU Y2196 ZN Y2197
SITE 1 MS1 10 HIS Y 44 HIS Y 46 HIS Y 61
SITE 2 MS1 10 HIS Y 118 CU Y 1 HOH Y 3
SITE 3 MS1 10 HIS Y 69 HIS Y 78 ASP Y 81
SITE 4 MS1 10 ZN Y 2
SITE 1 MS2 32 HIS Y 41 GLY Y 42 VAL Y 45
SITE 2 MS2 32 GLN Y 47 PHE Y 48 ALA Y 58
SITE 3 MS2 32 GLY Y 59 PHE Y 62 ASN Y 63
SITE 4 MS2 32 LYS Y 67 LYS Y 68 GLY Y 70
SITE 5 MS2 32 GLU Y 76 ARG Y 77 VAL Y 79
SITE 6 MS2 32 GLY Y 80 GLY Y 83 ARG Y 113
SITE 7 MS2 32 THR Y 114 MET Y 115 VAL Y 116
SITE 8 MS2 32 LYS Y 120 ASP Y 122 GLY Y 125
SITE 9 MS2 32 SER Y 132 THR Y 133 LYS Y 134
SITE 10 MS2 32 THR Y 135 GLY Y 136 ALA Y 138
SITE 11 MS2 32 SER Y 140 ARG Y 141
ATOM 1405 N HIS Y 44 -37.746 29.672 -12.229 1.00 11.79 N33.0
ATOM 1406 CA HIS Y 44 -36.617 30.101 -12.998 1.00 11.82 C34.0
ATOM 1407 C HIS Y 44 -35.379 29.244 -13.193 1.00 11.90 C35.0
ATOM 1408 O HIS Y 44 -34.903 28.579 -12.269 1.00 11.77 O36.0
ATOM 1409 CB HIS Y 44 -35.988 31.375 -12.296 1.00 9.92 C37.0
ATOM 1410 CG HIS Y 44 -36.825 32.470 -11.765 1.00 10.26 C38.0
ATOM 1411 ND1 HIS Y 44 -36.560 33.101 -10.541 1.00 9.16 N39.0
ATOM 1412 CD2 HIS Y 44 -37.958 33.123 -12.213 1.00 8.62 C40.0
ATOM 1413 CE1 HIS Y 44 -37.449 34.084 -10.338 1.00 8.54 C41.0
ATOM 1414 NE2 HIS Y 44 -38.270 34.097 -11.312 1.00 7.38 N42.0
ATOM 1422 N HIS Y 46 -31.761 29.156 -13.307 1.00 11.78 N50.0
ATOM 1423 CA HIS Y 46 -30.582 29.774 -12.716 1.00 11.77 C51.0
ATOM 1424 C HIS Y 46 -29.401 29.211 -13.467 1.00 11.65 C52.0
ATOM 1425 O HIS Y 46 -29.298 28.006 -13.545 1.00 11.94 O53.0
ATOM 1426 CB HIS Y 46 -30.514 29.463 -11.196 1.00 9.37 C54.0
ATOM 1427 CG HIS Y 46 -31.532 30.276 -10.479 1.00 9.22 C55.0
ATOM 1428 ND1 HIS Y 46 -31.318 30.765 -9.270 1.00 9.59 N56.0
ATOM 1429 CD2 HIS Y 46 -32.756 30.764 -10.787 1.00 10.10 C57.0
ATOM 1430 CE1 HIS Y 46 -32.329 31.468 -8.807 1.00 9.39 C58.0
ATOM 1431 NE2 HIS Y 46 -33.219 31.494 -9.721 1.00 11.05 N59.0
ATOM 1527 N HIS Y 61 -30.097 33.247 -12.515 1.00 12.02 N55.0
ATOM 1528 CA HIS Y 61 -31.014 33.420 -13.639 1.00 11.93 C56.0
ATOM 1529 C HIS Y 61 -29.982 33.544 -14.791 1.00 12.02 C57.0
ATOM 1530 O HIS Y 61 -29.121 34.390 -14.731 1.00 11.92 O58.0
ATOM 1531 CB HIS Y 61 -31.996 34.554 -13.838 1.00 10.17 C59.0
ATOM 1532 CG HIS Y 61 -33.063 34.485 -12.783 1.00 10.55 C60.0
ATOM 1533 ND1 HIS Y 61 -34.059 35.401 -12.509 1.00 10.58 N61.0
ATOM 1534 CD2 HIS Y 61 -33.181 33.490 -11.864 1.00 8.85 C62.0
ATOM 1535 CE1 HIS Y 61 -34.733 34.942 -11.446 1.00 9.54 C63.0
ATOM 1536 NE2 HIS Y 61 -34.209 33.787 -11.046 1.00 9.21 N64.0
ATOM 1955 N HIS Y 118 -38.862 29.284 -6.015 1.00 11.92 N83.0
ATOM 1956 CA HIS Y 118 -38.826 30.328 -5.089 1.00 11.85 C84.0
ATOM 1957 C HIS Y 118 -40.061 30.472 -4.239 1.00 11.98 C85.0
ATOM 1958 O HIS Y 118 -41.151 30.158 -4.732 1.00 12.07 O86.0
ATOM 1959 CB HIS Y 118 -38.931 31.852 -5.803 1.00 10.07 C87.0
ATOM 1960 CG HIS Y 118 -37.629 32.014 -6.529 1.00 9.30 C88.0
ATOM 1961 ND1 HIS Y 118 -36.434 31.915 -5.888 1.00 6.52 N89.0
ATOM 1962 CD2 HIS Y 118 -37.346 32.178 -7.842 1.00 9.21 C90.0
ATOM 1963 CE1 HIS Y 118 -35.461 32.001 -6.749 1.00 7.61 C91.0
ATOM 1964 NE2 HIS Y 118 -35.985 32.187 -7.934 1.00 9.34 N92.0
HETATM 2196 CU CU Y 1 -34.925 32.738 -9.524 1.00 11.31 CU24.0
HETATM 2198 O HOH Y 3 -33.741 34.623 -8.407 1.00 11.07 O26.0
ATOM 1595 N HIS Y 69 -34.643 41.460 -15.773 1.00 11.97 N23.0
ATOM 1596 CA HIS Y 69 -35.672 40.538 -15.370 1.00 11.89 C24.0
ATOM 1597 C HIS Y 69 -37.077 40.916 -15.773 1.00 11.99 C25.0
ATOM 1598 O HIS Y 69 -37.612 42.080 -15.798 1.00 11.96 O26.0
ATOM 1599 CB HIS Y 69 -35.557 40.295 -13.843 1.00 9.74 C27.0
ATOM 1600 CG HIS Y 69 -36.481 39.285 -13.296 1.00 10.09 C28.0
ATOM 1601 ND1 HIS Y 69 -36.274 37.955 -13.014 1.00 9.27 N29.0
ATOM 1602 CD2 HIS Y 69 -37.802 39.519 -12.968 1.00 10.84 C30.0
ATOM 1603 CE1 HIS Y 69 -37.384 37.433 -12.553 1.00 9.26 C31.0
ATOM 1604 NE2 HIS Y 69 -38.321 38.320 -12.525 1.00 9.37 N32.0
ATOM 1666 N HIS Y 78 -34.871 37.812 -18.738 1.00 11.89 N94.0
ATOM 1667 CA HIS Y 78 -33.793 36.870 -18.746 1.00 11.83 C95.0
ATOM 1668 C HIS Y 78 -34.226 35.539 -19.442 1.00 11.94 C96.0
ATOM 1669 O HIS Y 78 -35.446 35.283 -19.392 1.00 11.88 O97.0
ATOM 1670 CB HIS Y 78 -33.376 36.331 -17.379 1.00 9.65 C98.0
ATOM 1671 CG HIS Y 78 -33.004 37.416 -16.438 1.00 8.13 C99.0
ATOM 1672 ND1 HIS Y 78 -33.314 37.525 -15.136 1.00 7.78 N0.0
ATOM 1673 CD2 HIS Y 78 -32.220 38.445 -16.793 1.00 7.97 C1.0
ATOM 1674 CE1 HIS Y 78 -32.733 38.638 -14.696 1.00 9.55 C2.0
ATOM 1675 NE2 HIS Y 78 -32.092 39.216 -15.684 1.00 9.58 N3.0
ATOM 1687 N ASP Y 81 -36.143 33.484 -16.960 1.00 11.91 N15.0
ATOM 1688 CA ASP Y 81 -37.495 33.814 -16.486 1.00 11.92 C16.0
ATOM 1689 C ASP Y 81 -38.571 32.954 -17.132 1.00 11.94 C17.0
ATOM 1690 O ASP Y 81 -38.676 33.024 -18.383 1.00 11.96 O18.0
ATOM 1691 CB ASP Y 81 -37.744 35.306 -16.872 1.00 10.54 C19.0
ATOM 1692 CG ASP Y 81 -36.673 36.194 -16.300 1.00 8.88 C20.0
ATOM 1693 OD1 ASP Y 81 -35.921 35.744 -15.429 1.00 7.17 O21.0
ATOM 1694 OD2 ASP Y 81 -36.670 37.353 -16.802 1.00 8.42 O22.0
HETATM 2197 ZN ZN Y 2 -34.882 36.691 -13.906 1.00 10.78 ZN25.0
ATOM 1380 N HIS Y 41 -45.613 30.939 -7.434 1.00 11.88 N8.0
ATOM 1381 CA HIS Y 41 -44.248 30.708 -7.028 1.00 11.96 C9.0
ATOM 1382 C HIS Y 41 -43.315 31.100 -8.134 1.00 11.93 C10.0
ATOM 1383 O HIS Y 41 -43.745 30.781 -9.261 1.00 12.03 O11.0
ATOM 1384 CB HIS Y 41 -43.927 29.186 -6.682 1.00 11.64 C12.0
ATOM 1385 CG HIS Y 41 -44.648 29.069 -5.322 1.00 11.82 C13.0
ATOM 1386 ND1 HIS Y 41 -44.088 29.444 -4.112 1.00 10.89 N14.0
ATOM 1387 CD2 HIS Y 41 -45.937 28.730 -5.130 1.00 11.46 C15.0
ATOM 1388 CE1 HIS Y 41 -45.007 29.247 -3.199 1.00 12.81 C16.0
ATOM 1389 NE2 HIS Y 41 -46.140 28.804 -3.791 1.00 12.99 N17.0
ATOM 1390 N GLY Y 42 -42.184 31.662 -7.786 1.00 11.72 N18.0
ATOM 1391 CA GLY Y 42 -41.236 32.038 -8.858 1.00 11.94 C19.0
ATOM 1392 C GLY Y 42 -40.664 30.741 -9.459 1.00 11.94 C20.0
ATOM 1393 O GLY Y 42 -40.329 29.839 -8.691 1.00 11.77 O21.0
ATOM 1415 N VAL Y 45 -34.822 29.356 -14.398 1.00 11.78 N43.0
ATOM 1416 CA VAL Y 45 -33.581 28.614 -14.677 1.00 11.95 C44.0
ATOM 1417 C VAL Y 45 -32.424 29.561 -14.356 1.00 11.89 C45.0
ATOM 1418 O VAL Y 45 -32.212 30.602 -14.990 1.00 11.85 O46.0
ATOM 1419 CB VAL Y 45 -33.602 27.839 -16.017 1.00 10.51 C47.0
ATOM 1420 CG1 VAL Y 45 -34.623 28.344 -17.015 1.00 9.33 C48.0
ATOM 1421 CG2 VAL Y 45 -32.243 27.677 -16.691 1.00 9.06 C49.0
ATOM 1432 N GLN Y 47 -28.579 29.919 -14.064 1.00 9.77 N60.0
ATOM 1433 CA GLN Y 47 -27.422 29.576 -14.869 1.00 8.78 C61.0
ATOM 1434 C GLN Y 47 -26.549 28.405 -14.425 1.00 7.46 C62.0
ATOM 1435 O GLN Y 47 -25.762 27.900 -15.308 1.00 7.62 O63.0
ATOM 1436 CB GLN Y 47 -26.482 30.739 -15.010 1.00 7.21 C64.0
ATOM 1437 CG GLN Y 47 -25.658 31.440 -14.117 1.00 5.19 C65.0
ATOM 1438 CD GLN Y 47 -24.983 32.642 -14.845 1.00 6.36 C66.0
ATOM 1439 OE1 GLN Y 47 -25.682 33.606 -15.188 1.00 8.29 O67.0
ATOM 1440 NE2 GLN Y 47 -23.708 32.554 -15.075 1.00 3.62 N68.0
ATOM 1441 N PHE Y 48 -26.617 28.026 -13.139 1.00 6.79 N69.0
ATOM 1442 CA PHE Y 48 -25.715 26.911 -12.906 1.00 6.18 C70.0
ATOM 1443 C PHE Y 48 -25.915 25.745 -11.973 1.00 5.40 C71.0
ATOM 1444 O PHE Y 48 -26.384 25.563 -10.928 1.00 5.63 O72.0
ATOM 1445 CB PHE Y 48 -24.362 27.437 -12.874 1.00 7.03 C73.0
ATOM 1446 CG PHE Y 48 -23.658 28.258 -11.967 1.00 10.35 C74.0
ATOM 1447 CD1 PHE Y 48 -23.116 27.727 -10.798 1.00 12.94 C75.0
ATOM 1448 CD2 PHE Y 48 -23.416 29.616 -12.275 1.00 11.73 C76.0
ATOM 1449 CE1 PHE Y 48 -22.384 28.578 -9.891 1.00 14.49 C77.0
ATOM 1450 CE2 PHE Y 48 -22.715 30.437 -11.423 1.00 11.14 C78.0
ATOM 1451 CZ PHE Y 48 -22.220 29.914 -10.226 1.00 13.10 C79.0
ATOM 1511 N ALA Y 58 -26.378 27.827 -7.386 1.00 8.32 N39.0
ATOM 1512 CA ALA Y 58 -26.936 27.901 -8.731 1.00 8.55 C40.0
ATOM 1513 C ALA Y 58 -26.711 29.211 -9.483 1.00 8.47 C41.0
ATOM 1514 O ALA Y 58 -26.679 29.393 -10.733 1.00 8.95 O42.0
ATOM 1515 CB ALA Y 58 -28.478 27.650 -8.554 1.00 9.07 C43.0
ATOM 1516 N GLY Y 59 -26.522 30.205 -8.668 1.00 8.29 N44.0
ATOM 1517 CA GLY Y 59 -26.270 31.564 -9.024 1.00 9.20 C45.0
ATOM 1518 C GLY Y 59 -27.521 32.249 -9.399 1.00 9.36 C46.0
ATOM 1519 O GLY Y 59 -28.565 31.849 -8.894 1.00 10.10 O47.0
ATOM 1537 N PHE Y 62 -30.228 32.643 -15.736 1.00 11.91 N65.0
ATOM 1538 CA PHE Y 62 -29.303 32.605 -16.882 1.00 11.75 C66.0
ATOM 1539 C PHE Y 62 -29.694 33.725 -17.799 1.00 11.81 C67.0
ATOM 1540 O PHE Y 62 -30.818 33.796 -18.369 1.00 11.88 O68.0
ATOM 1541 CB PHE Y 62 -29.224 31.187 -17.365 1.00 8.24 C69.0
ATOM 1542 CG PHE Y 62 -28.948 30.885 -18.762 1.00 6.34 C70.0
ATOM 1543 CD1 PHE Y 62 -30.001 30.644 -19.642 1.00 7.02 C71.0
ATOM 1544 CD2 PHE Y 62 -27.659 30.836 -19.256 1.00 6.20 C72.0
ATOM 1545 CE1 PHE Y 62 -29.778 30.361 -20.970 1.00 7.64 C73.0
ATOM 1546 CE2 PHE Y 62 -27.415 30.559 -20.600 1.00 5.47 C74.0
ATOM 1547 CZ PHE Y 62 -28.483 30.310 -21.489 1.00 5.64 C75.0
ATOM 1548 N ASN Y 63 -28.698 34.632 -17.898 1.00 10.45 N76.0
ATOM 1549 CA ASN Y 63 -28.791 35.866 -18.732 1.00 9.48 C77.0
ATOM 1550 C ASN Y 63 -27.598 36.052 -19.699 1.00 9.64 C78.0
ATOM 1551 O ASN Y 63 -26.733 36.945 -19.396 1.00 9.05 O79.0
ATOM 1552 CB ASN Y 63 -28.609 37.069 -17.777 1.00 7.39 C80.0
ATOM 1553 CG ASN Y 63 -29.381 38.261 -18.419 1.00 5.50 C81.0
ATOM 1554 OD1 ASN Y 63 -29.301 39.198 -17.670 1.00 4.23 O82.0
ATOM 1555 ND2 ASN Y 63 -29.958 38.043 -19.586 1.00 5.11 N83.0
ATOM 1577 N LYS Y 67 -29.354 41.351 -19.869 1.00 10.64 N5.0
ATOM 1578 CA LYS Y 67 -30.619 42.096 -19.914 1.00 10.39 C6.0
ATOM 1579 C LYS Y 67 -31.204 42.099 -18.486 1.00 10.89 C7.0
ATOM 1580 O LYS Y 67 -30.545 41.673 -17.520 1.00 10.72 O8.0
ATOM 1581 CB LYS Y 67 -31.758 41.656 -20.791 1.00 8.83 C9.0
ATOM 1582 CG LYS Y 67 -31.426 40.808 -21.993 1.00 8.94 C10.0
ATOM 1583 CD LYS Y 67 -31.373 41.368 -23.347 1.00 10.96 C11.0
ATOM 1584 CE LYS Y 67 -30.897 42.782 -23.527 1.00 13.06 C12.0
ATOM 1585 NZ LYS Y 67 -31.197 43.270 -24.933 1.00 13.03 N13.0
ATOM 1586 N LYS Y 68 -32.396 42.622 -18.441 1.00 11.23 N14.0
ATOM 1587 CA LYS Y 68 -33.099 42.775 -17.123 1.00 11.65 C15.0
ATOM 1588 C LYS Y 68 -34.183 41.734 -16.971 1.00 12.26 C16.0
ATOM 1589 O LYS Y 68 -34.724 41.144 -17.947 1.00 12.77 O17.0
ATOM 1590 CB LYS Y 68 -33.643 44.228 -17.069 1.00 10.49 C18.0
ATOM 1591 CG LYS Y 68 -32.576 45.304 -16.998 1.00 11.51 C19.0
ATOM 1592 CD LYS Y 68 -31.582 45.409 -18.151 1.00 11.02 C20.0
ATOM 1593 CE LYS Y 68 -32.227 45.724 -19.522 1.00 9.04 C21.0
ATOM 1594 NZ LYS Y 68 -31.504 45.064 -20.608 1.00 6.39 N22.0
ATOM 1605 N GLY Y 70 -37.740 39.786 -16.111 1.00 12.26 N33.0
ATOM 1606 CA GLY Y 70 -39.133 39.929 -16.590 1.00 13.27 C34.0
ATOM 1607 C GLY Y 70 -39.935 38.648 -16.580 1.00 13.47 C35.0
ATOM 1608 O GLY Y 70 -39.687 37.714 -15.786 1.00 13.97 O36.0
ATOM 1646 N GLU Y 76 -38.205 41.972 -22.710 1.00 14.22 N74.0
ATOM 1647 CA GLU Y 76 -37.062 42.411 -21.856 1.00 13.64 C75.0
ATOM 1648 C GLU Y 76 -37.153 41.634 -20.553 1.00 12.75 C76.0
ATOM 1649 O GLU Y 76 -37.838 41.979 -19.546 1.00 11.73 O77.0
ATOM 1650 CB GLU Y 76 -37.067 43.935 -21.613 1.00 14.19 C78.0
ATOM 1651 CG GLU Y 76 -36.071 44.639 -22.628 1.00 16.07 C79.0
ATOM 1652 CD GLU Y 76 -35.301 45.735 -21.956 1.00 15.71 C80.0
ATOM 1653 OE1 GLU Y 76 -34.689 45.603 -20.913 1.00 16.87 O81.0
ATOM 1654 OE2 GLU Y 76 -35.376 46.777 -22.603 1.00 16.83 O82.0
ATOM 1655 N ARG Y 77 -36.468 40.482 -20.654 1.00 11.73 N83.0
ATOM 1656 CA ARG Y 77 -36.471 39.481 -19.564 1.00 11.16 C84.0
ATOM 1657 C ARG Y 77 -35.272 38.573 -19.744 1.00 11.67 C85.0
ATOM 1658 O ARG Y 77 -34.799 38.572 -20.911 1.00 11.57 O86.0
ATOM 1659 CB ARG Y 77 -37.664 38.493 -19.816 1.00 9.45 C87.0
ATOM 1660 CG ARG Y 77 -37.454 37.779 -21.165 1.00 7.84 C88.0
ATOM 1661 CD ARG Y 77 -38.461 36.741 -21.446 1.00 7.21 C89.0
ATOM 1662 NE ARG Y 77 -37.902 35.492 -21.944 1.00 8.68 N90.0
ATOM 1663 CZ ARG Y 77 -38.192 34.247 -21.610 1.00 8.12 C91.0
ATOM 1664 NH1 ARG Y 77 -39.074 33.784 -20.736 1.00 7.68 N92.0
ATOM 1665 NH2 ARG Y 77 -37.552 33.248 -22.188 1.00 9.37 N93.0
ATOM 1676 N VAL Y 79 -33.184 34.819 -19.954 1.00 11.93 N4.0
ATOM 1677 CA VAL Y 79 -33.599 33.519 -20.636 1.00 12.04 C5.0
ATOM 1678 C VAL Y 79 -34.205 32.629 -19.531 1.00 11.95 C6.0
ATOM 1679 O VAL Y 79 -35.076 31.799 -19.743 1.00 11.98 O7.0
ATOM 1680 CB VAL Y 79 -32.535 32.898 -21.547 1.00 10.76 C8.0
ATOM 1681 CG1 VAL Y 79 -32.796 31.442 -21.877 1.00 10.75 C9.0
ATOM 1682 CG2 VAL Y 79 -32.467 33.543 -22.916 1.00 9.95 C10.0
ATOM 1683 N GLY Y 80 -33.719 32.882 -18.324 1.00 11.93 N11.0
ATOM 1684 CA GLY Y 80 -34.100 32.168 -17.140 1.00 11.99 C12.0
ATOM 1685 C GLY Y 80 -35.481 32.423 -16.628 1.00 11.96 C13.0
ATOM 1686 O GLY Y 80 -35.939 31.543 -15.844 1.00 12.01 O14.0
ATOM 1703 N GLY Y 83 -41.547 32.571 -15.174 1.00 11.93 N31.0
ATOM 1704 CA GLY Y 83 -42.492 33.157 -14.356 1.00 11.88 C32.0
ATOM 1705 C GLY Y 83 -42.913 32.547 -13.086 1.00 11.94 C33.0
ATOM 1706 O GLY Y 83 -42.038 32.337 -12.235 1.00 11.92 O34.0
ATOM 1915 N ARG Y 113 -27.833 23.413 -16.120 1.00 7.68 N43.0
ATOM 1916 CA ARG Y 113 -28.104 24.488 -15.132 1.00 8.02 C44.0
ATOM 1917 C ARG Y 113 -29.130 24.039 -14.125 1.00 8.76 C45.0
ATOM 1918 O ARG Y 113 -29.512 22.876 -14.121 1.00 9.34 O46.0
ATOM 1919 CB ARG Y 113 -28.649 25.707 -15.834 1.00 6.42 C47.0
ATOM 1920 CG ARG Y 113 -28.020 25.858 -17.162 1.00 5.92 C48.0
ATOM 1921 CD ARG Y 113 -27.568 27.309 -17.201 1.00 7.56 C49.0
ATOM 1922 NE ARG Y 113 -26.723 27.287 -18.464 1.00 8.93 N50.0
ATOM 1923 CZ ARG Y 113 -27.584 27.314 -19.484 1.00 11.06 C51.0
ATOM 1924 NH1 ARG Y 113 -28.816 27.704 -19.149 1.00 10.92 N52.0
ATOM 1925 NH2 ARG Y 113 -27.327 26.836 -20.715 1.00 14.87 N53.0
ATOM 1926 N THR Y 114 -29.592 24.918 -13.289 1.00 11.58 N54.0
ATOM 1927 CA THR Y 114 -30.579 24.626 -12.245 1.00 11.89 C55.0
ATOM 1928 C THR Y 114 -31.971 25.208 -12.428 1.00 11.97 C56.0
ATOM 1929 O THR Y 114 -32.164 26.403 -12.743 1.00 11.83 O57.0
ATOM 1930 CB THR Y 114 -30.103 25.216 -10.835 1.00 9.95 C58.0
ATOM 1931 OG1 THR Y 114 -28.703 24.742 -10.585 1.00 10.13 O59.0
ATOM 1932 CG2 THR Y 114 -31.055 24.869 -9.678 1.00 11.39 C60.0
ATOM 1933 N MET Y 115 -32.931 24.343 -12.158 1.00 11.97 N61.0
ATOM 1934 CA MET Y 115 -34.386 24.705 -12.194 1.00 11.92 C62.0
ATOM 1935 C MET Y 115 -34.689 24.998 -10.719 1.00 11.83 C63.0
ATOM 1936 O MET Y 115 -34.423 24.178 -9.842 1.00 11.78 O64.0
ATOM 1937 CB MET Y 115 -35.249 23.636 -12.802 1.00 9.79 C65.0
ATOM 1938 CG MET Y 115 -36.606 24.132 -13.197 1.00 7.43 C66.0
ATOM 1939 SD MET Y 115 -36.464 25.250 -14.582 1.00 6.57 S67.0
ATOM 1940 CE MET Y 115 -37.644 26.574 -14.190 1.00 6.57 C68.0
ATOM 1941 N VAL Y 116 -35.187 26.181 -10.455 1.00 11.99 N69.0
ATOM 1942 CA VAL Y 116 -35.482 26.644 -9.088 1.00 11.94 C70.0
ATOM 1943 C VAL Y 116 -36.928 27.132 -9.091 1.00 11.91 C71.0
ATOM 1944 O VAL Y 116 -37.504 27.529 -10.092 1.00 11.93 O72.0
ATOM 1945 CB VAL Y 116 -34.541 27.686 -8.458 1.00 12.05 C73.0
ATOM 1946 CG1 VAL Y 116 -34.309 28.992 -9.212 1.00 11.95 C74.0
ATOM 1947 CG2 VAL Y 116 -34.873 28.279 -7.075 1.00 11.66 C75.0
ATOM 1974 N LYS Y 120 -42.999 32.671 -2.758 1.00 14.80 N2.0
ATOM 1975 CA LYS Y 120 -43.590 33.888 -3.314 1.00 14.61 C3.0
ATOM 1976 C LYS Y 120 -43.395 33.985 -4.845 1.00 14.55 C4.0
ATOM 1977 O LYS Y 120 -42.542 33.346 -5.434 1.00 14.64 O5.0
ATOM 1978 CB LYS Y 120 -42.974 35.218 -2.915 1.00 14.63 C6.0
ATOM 1979 CG LYS Y 120 -41.900 35.135 -1.897 1.00 13.13 C7.0
ATOM 1980 CD LYS Y 120 -41.490 36.531 -1.380 1.00 12.37 C8.0
ATOM 1981 CE LYS Y 120 -40.616 36.063 -0.136 1.00 12.32 C9.0
ATOM 1982 NZ LYS Y 120 -41.601 35.992 0.964 1.00 11.46 N10.0
ATOM 1990 N ASP Y 122 -43.332 35.948 -8.652 1.00 12.30 N18.0
ATOM 1991 CA ASP Y 122 -42.350 36.683 -9.547 1.00 12.50 C19.0
ATOM 1992 C ASP Y 122 -43.272 37.823 -10.010 1.00 12.99 C20.0
ATOM 1993 O ASP Y 122 -44.342 37.428 -10.615 1.00 11.44 O21.0
ATOM 1994 CB ASP Y 122 -41.988 35.750 -10.675 1.00 13.23 C22.0
ATOM 1995 CG ASP Y 122 -40.737 36.169 -11.398 1.00 12.13 C23.0
ATOM 1996 OD1 ASP Y 122 -40.019 35.220 -11.635 1.00 10.72 O24.0
ATOM 1997 OD2 ASP Y 122 -40.646 37.414 -11.595 1.00 13.21 O25.0
ATOM 2014 N GLY Y 125 -40.648 41.541 -12.976 1.00 14.00 N42.0
ATOM 2015 CA GLY Y 125 -39.693 42.600 -13.233 1.00 14.70 C43.0
ATOM 2016 C GLY Y 125 -40.031 44.044 -13.176 1.00 15.88 C44.0
ATOM 2017 O GLY Y 125 -39.099 44.945 -13.280 1.00 15.21 O45.0
ATOM 2063 N SER Y 132 -36.304 43.782 -8.597 1.00 9.07 N91.0
ATOM 2064 CA SER Y 132 -37.520 43.343 -9.288 1.00 10.19 C92.0
ATOM 2065 C SER Y 132 -36.905 42.846 -10.628 1.00 10.21 C93.0
ATOM 2066 O SER Y 132 -36.968 41.764 -11.169 1.00 10.18 O94.0
ATOM 2067 CB SER Y 132 -38.525 44.459 -9.438 1.00 8.35 C95.0
ATOM 2068 OG SER Y 132 -39.590 44.044 -10.256 1.00 7.98 O96.0
ATOM 2069 N THR Y 133 -36.255 43.845 -11.086 1.00 9.77 N97.0
ATOM 2070 CA THR Y 133 -35.464 44.135 -12.210 1.00 10.75 C98.0
ATOM 2071 C THR Y 133 -34.338 43.155 -12.398 1.00 10.96 C99.0
ATOM 2072 O THR Y 133 -33.525 43.154 -13.324 1.00 11.07 O0.0
ATOM 2073 CB THR Y 133 -34.816 45.535 -11.555 1.00 10.47 C1.0
ATOM 2074 OG1 THR Y 133 -34.495 46.432 -12.597 1.00 11.14 O2.0
ATOM 2075 CG2 THR Y 133 -33.682 45.242 -10.582 1.00 10.42 C3.0
ATOM 2076 N LYS Y 134 -34.254 42.246 -11.440 1.00 12.43 N4.0
ATOM 2077 CA LYS Y 134 -33.232 41.268 -11.210 1.00 12.46 C5.0
ATOM 2078 C LYS Y 134 -33.322 39.774 -10.977 1.00 13.31 C6.0
ATOM 2079 O LYS Y 134 -32.700 38.865 -11.545 1.00 13.04 O7.0
ATOM 2080 CB LYS Y 134 -32.933 41.594 -9.641 1.00 9.45 C8.0
ATOM 2081 CG LYS Y 134 -31.958 42.727 -9.502 1.00 10.98 C9.0
ATOM 2082 CD LYS Y 134 -30.633 42.025 -9.312 1.00 12.62 C10.0
ATOM 2083 CE LYS Y 134 -30.236 42.198 -7.838 1.00 16.02 C11.0
ATOM 2084 NZ LYS Y 134 -29.197 41.112 -7.494 1.00 15.16 N12.0
ATOM 2085 N THR Y 135 -34.114 39.584 -9.972 1.00 13.71 N13.0
ATOM 2086 CA THR Y 135 -34.630 38.501 -9.188 1.00 12.19 C14.0
ATOM 2087 C THR Y 135 -36.081 38.356 -9.461 1.00 12.41 C15.0
ATOM 2088 O THR Y 135 -36.597 37.237 -9.591 1.00 13.56 O16.0
ATOM 2089 CB THR Y 135 -34.390 39.168 -7.762 1.00 12.27 C17.0
ATOM 2090 OG1 THR Y 135 -32.891 39.078 -7.846 1.00 11.96 O18.0
ATOM 2091 CG2 THR Y 135 -35.194 38.686 -6.628 1.00 10.52 C19.0
ATOM 2092 N GLY Y 136 -36.731 39.496 -9.547 1.00 12.70 N20.0
ATOM 2093 CA GLY Y 136 -38.187 39.549 -9.849 1.00 12.99 C21.0
ATOM 2094 C GLY Y 136 -38.945 39.790 -8.538 1.00 13.73 C22.0
ATOM 2095 O GLY Y 136 -40.107 40.262 -8.547 1.00 14.16 O23.0
ATOM 2104 N ALA Y 138 -39.843 37.630 -6.620 1.00 17.45 N32.0
ATOM 2105 CA ALA Y 138 -40.408 36.250 -6.635 1.00 16.71 C33.0
ATOM 2106 C ALA Y 138 -39.489 35.383 -5.814 1.00 15.63 C34.0
ATOM 2107 O ALA Y 138 -38.908 34.494 -6.448 1.00 16.38 O35.0
ATOM 2108 CB ALA Y 138 -40.290 35.668 -8.063 1.00 16.79 C36.0
ATOM 2113 N SER Y 140 -36.984 33.696 -3.181 1.00 13.14 N41.0
ATOM 2114 CA SER Y 140 -36.200 32.834 -2.174 1.00 12.22 C42.0
ATOM 2115 C SER Y 140 -36.338 31.428 -2.830 1.00 11.64 C43.0
ATOM 2116 O SER Y 140 -37.168 31.145 -3.688 1.00 10.13 O44.0
ATOM 2117 CB SER Y 140 -36.685 32.972 -0.788 1.00 8.84 C45.0
ATOM 2118 OG SER Y 140 -36.636 31.954 0.164 1.00 9.07 O46.0
ATOM 2119 N ARG Y 141 -35.441 30.537 -2.465 1.00 12.32 N47.0
ATOM 2120 CA ARG Y 141 -35.339 29.198 -3.043 1.00 12.64 C48.0
ATOM 2121 C ARG Y 141 -35.716 28.125 -2.068 1.00 13.90 C49.0
ATOM 2122 O ARG Y 141 -36.031 28.424 -0.877 1.00 15.06 O50.0
ATOM 2123 CB ARG Y 141 -33.845 29.069 -3.468 1.00 10.37 C51.0
ATOM 2124 CG ARG Y 141 -33.329 30.006 -4.518 1.00 8.49 C52.0
ATOM 2125 CD ARG Y 141 -31.887 30.333 -4.430 1.00 8.92 C53.0
ATOM 2126 NE ARG Y 141 -31.152 31.071 -5.342 1.00 7.90 N54.0
ATOM 2127 CZ ARG Y 141 -29.983 31.428 -5.762 1.00 8.30 C55.0
ATOM 2128 NH1 ARG Y 141 -28.711 31.300 -5.459 1.00 6.28 N56.0
ATOM 2129 NH2 ARG Y 141 -30.021 32.170 -6.905 1.00 10.40 N57.0
2sod_s3.desc
Site: 2sod_s3
[general]
number_of_metal_centers;2
number_of_first_shell_ligands;7
number_of_metal_ligand-atom_bonds;8
number_of_ligand-atom_metal_ligand-atom_angles;12
number_of_first_shell_h-bonds;8
number_of_second_shell_ligands;37
number_of_second_shell_h-bonds;21
number_of_intershell_contacts;0
number_of_intershell_h-bonds;14
number_of_disulfide-bonds;0
[metal_centers]
metal_center_1;CU.1.B;distorted tetrahedral;CU binding site
metal_center_1_atom_1;CU.CU.1.B
metal_center_2;ZN.2.B;distorted tetrahedral;ZN binding site
metal_center_2_atom_1;ZN.ZN.2.B
[first_shell_ligands]
# full residue name; denticity
HIS.44.B;1
HIS.46.B;1
HIS.61.B;1
HIS.118.B;1
HIS.69.B;1
HIS.78.B;1
ASP.81.B;1
[metal_ligand-atom_bonds]
# metal atom; ligand atom; distance; type
CU.CU.1.B,ND1.HIS.44.B,1.9992397,M-L bond
CU.CU.1.B,NE2.HIS.46.B,2.1459284,M-L bond
CU.CU.1.B,NE2.HIS.61.B,2.2594628,M-L bond
CU.CU.1.B,NE2.HIS.118.B,1.9760745,M-L bond
ZN.ZN.2.B,ND1.HIS.61.B,2.07063,M-L bond
ZN.ZN.2.B,ND1.HIS.69.B,2.1185598,M-L bond
ZN.ZN.2.B,ND1.HIS.78.B,2.0430977,M-L bond
ZN.ZN.2.B,OD1.ASP.81.B,1.9977055,M-O bond
[ligand-atom_metal_ligand-atom_angles]
# atom1; atom2; atom3; angle; dist(1-2); dist(2-3); dist(1-3);type
ND1.HIS.44.B,CU.CU.1.B,NE2.HIS.46.B,140.27791,1.9992397,2.1459284,3.898929,L-M-L PROPER
ND1.HIS.44.B,CU.CU.1.B,NE2.HIS.61.B,81.9274,1.9992397,2.2594628,2.7988298,L-M-L PROPER
ND1.HIS.44.B,CU.CU.1.B,NE2.HIS.118.B,99.36284,1.9992397,1.9760745,3.031049,L-M-L PROPER
NE2.HIS.46.B,CU.CU.1.B,NE2.HIS.61.B,91.64062,2.1459284,2.2594628,3.1603506,L-M-L PROPER
NE2.HIS.46.B,CU.CU.1.B,NE2.HIS.118.B,104.61482,2.1459284,1.9760745,3.2634046,L-M-L PROPER
NE2.HIS.61.B,CU.CU.1.B,NE2.HIS.118.B,150.7585,2.2594628,1.9760745,4.099005,L-M-L PROPER
ND1.HIS.61.B,ZN.ZN.2.B,ND1.HIS.69.B,105.393135,2.07063,2.1185598,3.3323638,L-M-L PROPER
ND1.HIS.61.B,ZN.ZN.2.B,ND1.HIS.78.B,117.936104,2.07063,2.0430977,3.5249996,L-M-L PROPER
ND1.HIS.61.B,ZN.ZN.2.B,OD1.ASP.81.B,99.59765,2.07063,1.9977055,3.1076813,L-M-L PROPER
ND1.HIS.69.B,ZN.ZN.2.B,ND1.HIS.78.B,122.37493,2.1185598,2.0430977,3.646631,L-M-L PROPER
ND1.HIS.69.B,ZN.ZN.2.B,OD1.ASP.81.B,91.34103,2.1185598,1.9977055,2.945712,L-M-L PROPER
ND1.HIS.78.B,ZN.ZN.2.B,OD1.ASP.81.B,115.04728,2.0430977,1.9977055,3.4089615,L-M-L PROPER
[first_shell_h-bonds]
# donor; acceptor; length; type
ND1.HIS.61.B,ND1.HIS.69.B,3.3323638,HBOND
ND1.HIS.61.B,ND1.HIS.78.B,3.5249996,HBOND
ND1.HIS.61.B,OD1.ASP.81.B,3.1076813,HBOND
ND1.HIS.69.B,ND1.HIS.78.B,3.646631,HBOND
ND1.HIS.69.B,OD1.ASP.81.B,2.945712,HBOND
N.HIS.78.B,OD2.ASP.81.B,2.5033288,HBOND
ND1.HIS.78.B,OD1.ASP.81.B,3.4089615,HBOND
N.ASP.81.B,O.HIS.78.B,3.011522,HBOND
[second_shell_components]
# full residue name
HIS.41.B
GLY.42.B
VAL.45.B
GLN.47.B
PHE.48.B
ALA.58.B
GLY.59.B
PRO.60.B
PHE.62.B
ASN.63.B
LYS.67.B
LYS.68.B
GLY.70.B
PRO.72.B
ARG.77.B
VAL.79.B
GLY.80.B
GLY.83.B
ARG.113.B
THR.114.B
MET.115.B
VAL.116.B
LYS.120.B
ASP.122.B
LEU.124.B
GLY.125.B
SER.132.B
THR.133.B
LYS.134.B
THR.135.B
GLY.136.B
ALA.138.B
GLY.139.B
SER.140.B
ARG.141.B
LEU.142.B
HOH.3.B
[second_shell_h-bonds]
# donor; acceptor; length; type
N.GLY.42.B,O.LYS.120.B,2.7423968,HBOND
N.VAL.45.B,O.GLY.80.B,2.882717,HBOND
N.GLN.47.B,O.ALA.58.B,3.2833982,HBOND
N.GLN.47.B,O.PRO.60.B,2.662868,HBOND
N.PHE.48.B,O.ALA.58.B,2.7666843,HBOND
N.PHE.62.B,O.VAL.45.B,2.601167,HBOND
N.LYS.67.B,OD1.ASN.63.B,3.1569068,HBOND
NE.ARG.77.B,O.PRO.72.B,3.6842866,HBOND
NH1.ARG.77.B,O.PRO.72.B,3.0377448,HBOND
NH2.ARG.77.B,O.VAL.79.B,2.611771,HBOND
N.VAL.79.B,O.PHE.62.B,3.0379016,HBOND
N.GLY.80.B,O.PHE.62.B,3.1182911,HBOND
N.THR.114.B,O.PHE.48.B,3.285048,HBOND
OG1.THR.114.B,O.PHE.48.B,2.1083825,HBOND
N.LYS.120.B,O.ALA.138.B,2.713794,HBOND
N.ASP.122.B,O.LYS.120.B,3.640019,HBOND
N.LEU.124.B,OD2.ASP.122.B,2.443139,HBOND
N.SER.140.B,O.ALA.138.B,3.355737,HBOND
N.ARG.141.B,O.GLY.139.B,3.5826454,HBOND
NH1.ARG.141.B,O.GLY.59.B,2.6599305,HBOND
NH2.ARG.141.B,O.GLY.59.B,2.603148,HBOND
[inter_shell_contacts]
# atom 1; atom 2; length; type
[inter_shell_h-bonds]
# donor; acceptor; length; type
ND1.HIS.41.B,O.HIS.118.B,3.0789185,HBOND
N.HIS.44.B,O.VAL.116.B,2.9421315,HBOND
N.HIS.46.B,O.THR.114.B,2.8268604,HBOND
ND1.HIS.46.B,O.GLY.59.B,2.832876,HBOND
N.ASN.63.B,O.HIS.61.B,3.048906,HBOND
N.HIS.69.B,O.THR.133.B,3.1792858,HBOND
N.GLY.70.B,OD2.ASP.81.B,3.3427236,HBOND
NE.ARG.77.B,O.ASP.81.B,3.5736074,HBOND
N.HIS.78.B,O.LYS.68.B,3.5117579,HBOND
ND1.HIS.78.B,O.LYS.134.B,3.6912582,HBOND
N.THR.114.B,O.HIS.46.B,3.2971451,HBOND
N.VAL.116.B,O.HIS.44.B,2.8768454,HBOND
N.HIS.118.B,O.GLY.42.B,3.0874488,HBOND
ND1.HIS.118.B,O.SER.140.B,2.6041398,HBOND
[disulfide_bonds]
# atom1; atom2; length; type
2sod_s3.pdb
REMARK 800 SITE Metal-biding site number 3 from 2sod
REMARK 800 Automatically generated using MSIT
REMARK 800 <http://metallo.scripps.edu/docs/MSIT>
REMARK 800 SITE_IDENTIFIER: MET
REMARK 800 SITE_DESCRIPTION: Metal Atoms.
REMARK 800 SITE_IDENTIFIER: MS1
REMARK 800 SITE_DESCRIPTION: First Shell residues.
REMARK 800 SITE_IDENTIFIER: MS2
REMARK 800 SITE_DESCRIPTION: Second Shell residues.
SITE 1 MET 2 CU B3295 ZN B3296
SITE 1 MS1 9 HIS B 44 HIS B 46 HIS B 61
SITE 2 MS1 9 HIS B 118 CU B 1 HIS B 69
SITE 3 MS1 9 HIS B 78 ASP B 81 ZN B 2
SITE 1 MS2 37 HIS B 41 GLY B 42 VAL B 45
SITE 2 MS2 37 GLN B 47 PHE B 48 ALA B 58
SITE 3 MS2 37 GLY B 59 PRO B 60 PHE B 62
SITE 4 MS2 37 ASN B 63 LYS B 67 LYS B 68
SITE 5 MS2 37 GLY B 70 PRO B 72 ARG B 77
SITE 6 MS2 37 VAL B 79 GLY B 80 GLY B 83
SITE 7 MS2 37 ARG B 113 THR B 114 MET B 115
SITE 8 MS2 37 VAL B 116 LYS B 120 ASP B 122
SITE 9 MS2 37 LEU B 124 GLY B 125 SER B 132
SITE 10 MS2 37 THR B 133 LYS B 134 THR B 135
SITE 11 MS2 37 GLY B 136 ALA B 138 GLY B 139
SITE 12 MS2 37 SER B 140 ARG B 141 LEU B 142
SITE 13 MS2 37 HOH B 3
ATOM 2504 N HIS B 44 -29.188 6.095 24.234 1.00 11.85 N32.0
ATOM 2505 CA HIS B 44 -27.944 5.908 24.977 1.00 11.87 C33.0
ATOM 2506 C HIS B 44 -26.780 6.813 24.618 1.00 11.86 C34.0
ATOM 2507 O HIS B 44 -26.685 7.434 23.598 1.00 11.74 O35.0
ATOM 2508 CB HIS B 44 -27.413 4.434 24.787 1.00 10.45 C36.0
ATOM 2509 CG HIS B 44 -28.457 3.450 24.313 1.00 10.32 C37.0
ATOM 2510 ND1 HIS B 44 -28.503 2.839 23.074 1.00 10.23 N38.0
ATOM 2511 CD2 HIS B 44 -29.535 2.954 24.985 1.00 9.03 C39.0
ATOM 2512 CE1 HIS B 44 -29.536 2.006 22.989 1.00 8.70 C40.0
ATOM 2513 NE2 HIS B 44 -30.163 2.079 24.139 1.00 8.83 N41.0
ATOM 2521 N HIS B 46 -23.079 6.694 23.790 1.00 11.77 N49.0
ATOM 2522 CA HIS B 46 -22.051 5.980 23.047 1.00 11.70 C50.0
ATOM 2523 C HIS B 46 -20.736 6.464 23.526 1.00 11.71 C51.0
ATOM 2524 O HIS B 46 -20.630 7.682 23.712 1.00 11.94 O52.0
ATOM 2525 CB HIS B 46 -22.251 6.060 21.467 1.00 8.08 C53.0
ATOM 2526 CG HIS B 46 -23.343 5.019 21.245 1.00 6.58 C54.0
ATOM 2527 ND1 HIS B 46 -23.146 3.848 20.654 1.00 5.14 N55.0
ATOM 2528 CD2 HIS B 46 -24.645 4.983 21.685 1.00 5.50 C56.0
ATOM 2529 CE1 HIS B 46 -24.262 3.143 20.643 1.00 5.82 C57.0
ATOM 2530 NE2 HIS B 46 -25.193 3.856 21.282 1.00 6.24 N58.0
ATOM 2626 N HIS B 61 -21.723 1.671 23.601 1.00 11.80 N54.0
ATOM 2627 CA HIS B 61 -22.308 2.277 24.790 1.00 11.96 C55.0
ATOM 2628 C HIS B 61 -21.152 2.607 25.757 1.00 12.01 C56.0
ATOM 2629 O HIS B 61 -20.134 1.870 25.715 1.00 11.95 O57.0
ATOM 2630 CB HIS B 61 -23.293 1.370 25.574 1.00 9.87 C58.0
ATOM 2631 CG HIS B 61 -24.559 1.295 24.730 1.00 9.34 C59.0
ATOM 2632 ND1 HIS B 61 -25.702 0.602 25.058 1.00 9.11 N60.0
ATOM 2633 CD2 HIS B 61 -24.798 1.854 23.546 1.00 7.38 C61.0
ATOM 2634 CE1 HIS B 61 -26.571 0.718 24.104 1.00 7.24 C62.0
ATOM 2635 NE2 HIS B 61 -26.056 1.485 23.185 1.00 8.26 N63.0
ATOM 3054 N HIS B 118 -31.655 5.810 18.500 1.00 11.88 N82.0
ATOM 3055 CA HIS B 118 -31.741 4.618 17.595 1.00 11.82 C83.0
ATOM 3056 C HIS B 118 -33.126 4.503 17.052 1.00 12.00 C84.0
ATOM 3057 O HIS B 118 -33.986 5.314 17.604 1.00 12.08 O85.0
ATOM 3058 CB HIS B 118 -31.429 3.442 18.482 1.00 8.16 C86.0
ATOM 3059 CG HIS B 118 -30.032 3.292 18.943 1.00 7.70 C87.0
ATOM 3060 ND1 HIS B 118 -29.007 2.742 18.204 1.00 7.05 N88.0
ATOM 3061 CD2 HIS B 118 -29.471 3.537 20.151 1.00 7.85 C89.0
ATOM 3062 CE1 HIS B 118 -27.900 2.674 18.893 1.00 6.15 C90.0
ATOM 3063 NE2 HIS B 118 -28.146 3.158 20.081 1.00 7.25 N91.0
HETATM 3295 CU CU B 1 -27.051 2.867 21.700 1.00 11.21 CU23.0
ATOM 2694 N HIS B 69 -25.621 -4.780 29.127 1.00 11.91 N22.0
ATOM 2695 CA HIS B 69 -26.743 -3.879 28.918 1.00 11.94 C23.0
ATOM 2696 C HIS B 69 -28.042 -4.186 29.642 1.00 11.98 C24.0
ATOM 2697 O HIS B 69 -28.532 -5.341 29.811 1.00 11.93 O25.0
ATOM 2698 CB HIS B 69 -27.101 -3.774 27.363 1.00 9.83 C26.0
ATOM 2699 CG HIS B 69 -28.086 -2.732 26.957 1.00 8.19 C27.0
ATOM 2700 ND1 HIS B 69 -27.815 -1.432 26.640 1.00 8.09 N28.0
ATOM 2701 CD2 HIS B 69 -29.445 -2.846 26.807 1.00 8.07 C29.0
ATOM 2702 CE1 HIS B 69 -28.932 -0.802 26.328 1.00 7.02 C30.0
ATOM 2703 NE2 HIS B 69 -29.934 -1.637 26.422 1.00 7.36 N31.0
ATOM 2765 N HIS B 78 -25.085 -0.638 31.245 1.00 11.87 N93.0
ATOM 2766 CA HIS B 78 -23.942 0.211 30.822 1.00 11.82 C94.0
ATOM 2767 C HIS B 78 -24.247 1.614 31.360 1.00 11.90 C95.0
ATOM 2768 O HIS B 78 -25.442 1.890 31.397 1.00 11.98 O96.0
ATOM 2769 CB HIS B 78 -23.641 0.378 29.342 1.00 10.40 C97.0
ATOM 2770 CG HIS B 78 -23.489 -0.940 28.617 1.00 9.59 C98.0
ATOM 2771 ND1 HIS B 78 -24.303 -1.374 27.620 1.00 8.36 N99.0
ATOM 2772 CD2 HIS B 78 -22.532 -1.893 28.788 1.00 9.38 C0.0
ATOM 2773 CE1 HIS B 78 -23.883 -2.538 27.186 1.00 9.34 C1.0
ATOM 2774 NE2 HIS B 78 -22.848 -2.881 27.873 1.00 10.75 N2.0
ATOM 2786 N ASP B 81 -26.732 3.451 29.168 1.00 11.84 N14.0
ATOM 2787 CA ASP B 81 -28.161 3.058 29.083 1.00 11.95 C15.0
ATOM 2788 C ASP B 81 -29.101 3.960 29.865 1.00 11.89 C16.0
ATOM 2789 O ASP B 81 -29.027 3.938 31.121 1.00 11.82 O17.0
ATOM 2790 CB ASP B 81 -28.248 1.618 29.651 1.00 9.27 C18.0
ATOM 2791 CG ASP B 81 -27.266 0.750 29.016 1.00 7.98 C19.0
ATOM 2792 OD1 ASP B 81 -26.749 0.976 27.960 1.00 8.49 O20.0
ATOM 2793 OD2 ASP B 81 -26.943 -0.280 29.606 1.00 10.79 O21.0
HETATM 3296 ZN ZN B 2 -25.944 -0.455 26.822 1.00 10.47 ZN24.0
ATOM 2479 N HIS B 41 -38.271 4.402 21.414 1.00 11.80 N7.0
ATOM 2480 CA HIS B 41 -36.924 4.488 20.799 1.00 12.01 C8.0
ATOM 2481 C HIS B 41 -35.734 4.373 21.748 1.00 11.90 C9.0
ATOM 2482 O HIS B 41 -35.758 4.972 22.831 1.00 11.89 O10.0
ATOM 2483 CB HIS B 41 -36.789 5.865 20.022 1.00 12.54 C11.0
ATOM 2484 CG HIS B 41 -37.497 5.882 18.701 1.00 12.02 C12.0
ATOM 2485 ND1 HIS B 41 -37.064 5.245 17.574 1.00 12.35 N13.0
ATOM 2486 CD2 HIS B 41 -38.669 6.485 18.359 1.00 12.11 C14.0
ATOM 2487 CE1 HIS B 41 -37.927 5.465 16.567 1.00 11.88 C15.0
ATOM 2488 NE2 HIS B 41 -38.903 6.212 17.031 1.00 11.80 N16.0
ATOM 2489 N GLY B 42 -34.726 3.638 21.373 1.00 11.73 N17.0
ATOM 2490 CA GLY B 42 -33.535 3.487 22.217 1.00 11.94 C18.0
ATOM 2491 C GLY B 42 -32.783 4.813 22.340 1.00 11.92 C19.0
ATOM 2492 O GLY B 42 -32.603 5.651 21.434 1.00 11.76 O20.0
ATOM 2514 N VAL B 45 -25.833 6.784 25.550 1.00 11.89 N42.0
ATOM 2515 CA VAL B 45 -24.548 7.470 25.484 1.00 11.98 C43.0
ATOM 2516 C VAL B 45 -23.431 6.483 25.055 1.00 11.92 C44.0
ATOM 2517 O VAL B 45 -22.964 5.615 25.845 1.00 11.90 O45.0
ATOM 2518 CB VAL B 45 -24.096 8.209 26.758 1.00 9.31 C46.0
ATOM 2519 CG1 VAL B 45 -23.194 9.366 26.390 1.00 8.97 C47.0
ATOM 2520 CG2 VAL B 45 -25.263 8.558 27.639 1.00 9.55 C48.0
ATOM 2531 N GLN B 47 -19.740 5.683 23.774 1.00 10.45 N59.0
ATOM 2532 CA GLN B 47 -18.414 5.966 24.284 1.00 9.67 C60.0
ATOM 2533 C GLN B 47 -17.625 7.104 23.686 1.00 7.69 C61.0
ATOM 2534 O GLN B 47 -17.053 7.851 24.444 1.00 8.06 O62.0
ATOM 2535 CB GLN B 47 -17.482 4.662 24.108 1.00 9.82 C63.0
ATOM 2536 CG GLN B 47 -16.199 4.620 24.803 1.00 10.10 C64.0
ATOM 2537 CD GLN B 47 -15.239 3.501 24.848 1.00 10.12 C65.0
ATOM 2538 OE1 GLN B 47 -14.291 3.414 25.658 1.00 9.17 O66.0
ATOM 2539 NE2 GLN B 47 -15.274 2.486 23.967 1.00 10.97 N67.0
ATOM 2540 N PHE B 48 -17.547 7.188 22.404 1.00 6.83 N68.0
ATOM 2541 CA PHE B 48 -16.827 8.111 21.606 1.00 6.84 C69.0
ATOM 2542 C PHE B 48 -17.706 9.267 21.031 1.00 6.94 C70.0
ATOM 2543 O PHE B 48 -18.769 9.275 20.536 1.00 5.69 O71.0
ATOM 2544 CB PHE B 48 -15.994 7.405 20.539 1.00 5.75 C72.0
ATOM 2545 CG PHE B 48 -15.011 6.350 20.999 1.00 4.54 C73.0
ATOM 2546 CD1 PHE B 48 -15.245 5.028 20.677 1.00 2.37 C74.0
ATOM 2547 CD2 PHE B 48 -13.843 6.717 21.693 1.00 4.60 C75.0
ATOM 2548 CE1 PHE B 48 -14.398 4.024 21.057 1.00 2.29 C76.0
ATOM 2549 CE2 PHE B 48 -12.951 5.720 22.091 1.00 4.15 C77.0
ATOM 2550 CZ PHE B 48 -13.236 4.373 21.734 1.00 2.96 C78.0
ATOM 2610 N ALA B 58 -18.278 6.812 17.219 1.00 6.55 N38.0
ATOM 2611 CA ALA B 58 -18.955 6.921 18.542 1.00 7.19 C39.0
ATOM 2612 C ALA B 58 -18.828 5.642 19.377 1.00 6.38 C40.0
ATOM 2613 O ALA B 58 -18.929 5.618 20.593 1.00 6.25 O41.0
ATOM 2614 CB ALA B 58 -20.446 7.263 18.541 1.00 7.35 C42.0
ATOM 2615 N GLY B 59 -18.620 4.584 18.657 1.00 7.00 N43.0
ATOM 2616 CA GLY B 59 -18.445 3.279 19.095 1.00 7.19 C44.0
ATOM 2617 C GLY B 59 -19.684 2.721 19.758 1.00 8.13 C45.0
ATOM 2618 O GLY B 59 -20.814 2.983 19.298 1.00 6.74 O46.0
ATOM 2619 N PRO B 60 -19.337 1.963 20.816 1.00 8.36 N47.0
ATOM 2620 CA PRO B 60 -20.326 1.249 21.636 1.00 8.89 C48.0
ATOM 2621 C PRO B 60 -20.816 2.109 22.797 1.00 9.44 C49.0
ATOM 2622 O PRO B 60 -20.333 3.227 22.933 1.00 9.10 O50.0
ATOM 2623 CB PRO B 60 -19.502 0.046 22.040 1.00 7.88 C51.0
ATOM 2624 CG PRO B 60 -18.104 0.573 22.284 1.00 7.38 C52.0
ATOM 2625 CD PRO B 60 -17.957 1.706 21.291 1.00 8.16 C53.0
ATOM 2636 N PHE B 62 -21.407 3.644 26.521 1.00 11.88 N64.0
ATOM 2637 CA PHE B 62 -20.310 3.998 27.495 1.00 11.88 C65.0
ATOM 2638 C PHE B 62 -20.345 2.943 28.599 1.00 11.84 C66.0
ATOM 2639 O PHE B 62 -21.285 2.731 29.384 1.00 11.89 O67.0
ATOM 2640 CB PHE B 62 -20.463 5.477 27.815 1.00 10.77 C68.0
ATOM 2641 CG PHE B 62 -19.528 5.956 28.888 1.00 9.99 C69.0
ATOM 2642 CD1 PHE B 62 -18.209 5.507 28.932 1.00 9.95 C70.0
ATOM 2643 CD2 PHE B 62 -19.968 6.809 29.856 1.00 9.65 C71.0
ATOM 2644 CE1 PHE B 62 -17.337 5.903 29.937 1.00 8.85 C72.0
ATOM 2645 CE2 PHE B 62 -19.089 7.225 30.879 1.00 10.51 C73.0
ATOM 2646 CZ PHE B 62 -17.775 6.790 30.933 1.00 8.72 C74.0
ATOM 2647 N ASN B 63 -19.239 2.171 28.614 1.00 10.74 N75.0
ATOM 2648 CA ASN B 63 -19.057 1.099 29.599 1.00 9.50 C76.0
ATOM 2649 C ASN B 63 -17.819 1.163 30.454 1.00 9.35 C77.0
ATOM 2650 O ASN B 63 -16.980 0.231 30.367 1.00 9.80 O78.0
ATOM 2651 CB ASN B 63 -19.329 -0.215 28.820 1.00 8.98 C79.0
ATOM 2652 CG ASN B 63 -19.690 -1.378 29.734 1.00 8.12 C80.0
ATOM 2653 OD1 ASN B 63 -19.221 -2.531 29.606 1.00 7.82 O81.0
ATOM 2654 ND2 ASN B 63 -20.542 -1.055 30.696 1.00 7.78 N82.0
ATOM 2676 N LYS B 67 -19.864 -3.796 32.426 1.00 9.75 N4.0
ATOM 2677 CA LYS B 67 -21.088 -4.605 32.569 1.00 10.71 C5.0
ATOM 2678 C LYS B 67 -21.738 -4.950 31.264 1.00 10.38 C6.0
ATOM 2679 O LYS B 67 -21.218 -4.632 30.215 1.00 10.62 O7.0
ATOM 2680 CB LYS B 67 -22.159 -3.789 33.387 1.00 11.23 C8.0
ATOM 2681 CG LYS B 67 -21.933 -3.753 34.882 1.00 10.41 C9.0
ATOM 2682 CD LYS B 67 -23.151 -3.149 35.654 1.00 11.53 C10.0
ATOM 2683 CE LYS B 67 -22.672 -3.109 37.110 1.00 11.32 C11.0
ATOM 2684 NZ LYS B 67 -23.664 -2.609 38.085 1.00 10.54 N12.0
ATOM 2685 N LYS B 68 -22.916 -5.532 31.388 1.00 10.77 N13.0
ATOM 2686 CA LYS B 68 -23.702 -5.838 30.154 1.00 11.46 C14.0
ATOM 2687 C LYS B 68 -24.875 -4.846 30.196 1.00 11.19 C15.0
ATOM 2688 O LYS B 68 -25.024 -4.149 31.205 1.00 10.30 O16.0
ATOM 2689 CB LYS B 68 -23.962 -7.280 29.969 1.00 13.16 C17.0
ATOM 2690 CG LYS B 68 -23.519 -8.303 30.988 1.00 14.36 C18.0
ATOM 2691 CD LYS B 68 -22.067 -8.110 31.407 1.00 17.78 C19.0
ATOM 2692 CE LYS B 68 -21.608 -8.561 32.790 1.00 17.41 C20.0
ATOM 2693 NZ LYS B 68 -22.183 -7.662 33.842 1.00 17.03 N21.0
ATOM 2704 N GLY B 70 -28.656 -3.109 30.092 1.00 11.12 N32.0
ATOM 2705 CA GLY B 70 -29.946 -3.169 30.784 1.00 11.14 C33.0
ATOM 2706 C GLY B 70 -30.700 -1.855 30.687 1.00 10.71 C34.0
ATOM 2707 O GLY B 70 -30.642 -1.082 29.679 1.00 10.50 O35.0
ATOM 2712 N PRO B 72 -32.178 1.869 32.672 1.00 9.02 N40.0
ATOM 2713 CA PRO B 72 -31.735 2.998 33.530 1.00 9.08 C41.0
ATOM 2714 C PRO B 72 -31.799 2.466 34.942 1.00 9.89 C42.0
ATOM 2715 O PRO B 72 -31.107 2.881 35.871 1.00 9.46 O43.0
ATOM 2716 CB PRO B 72 -32.685 4.081 33.148 1.00 8.24 C44.0
ATOM 2717 CG PRO B 72 -32.951 3.799 31.706 1.00 7.43 C45.0
ATOM 2718 CD PRO B 72 -33.290 2.277 31.826 1.00 8.35 C46.0
ATOM 2754 N ARG B 77 -26.065 -2.847 33.850 1.00 9.62 N82.0
ATOM 2755 CA ARG B 77 -26.361 -1.976 32.720 1.00 10.32 C83.0
ATOM 2756 C ARG B 77 -25.077 -1.205 32.419 1.00 10.99 C84.0
ATOM 2757 O ARG B 77 -24.173 -1.094 33.291 1.00 11.32 O85.0
ATOM 2758 CB ARG B 77 -27.397 -0.811 32.974 1.00 7.91 C86.0
ATOM 2759 CG ARG B 77 -26.907 0.270 33.873 1.00 6.50 C87.0
ATOM 2760 CD ARG B 77 -27.540 1.357 34.482 1.00 6.24 C88.0
ATOM 2761 NE ARG B 77 -27.811 2.680 34.237 1.00 6.14 N89.0
ATOM 2762 CZ ARG B 77 -27.950 3.924 33.960 1.00 4.63 C90.0
ATOM 2763 NH1 ARG B 77 -29.056 4.552 34.378 1.00 4.06 N91.0
ATOM 2764 NH2 ARG B 77 -26.998 4.707 33.367 1.00 3.79 N92.0
ATOM 2775 N VAL B 79 -23.240 2.376 31.682 1.00 11.91 N3.0
ATOM 2776 CA VAL B 79 -23.432 3.774 32.179 1.00 11.97 C4.0
ATOM 2777 C VAL B 79 -24.337 4.417 31.116 1.00 11.97 C5.0
ATOM 2778 O VAL B 79 -25.291 5.152 31.441 1.00 12.00 O6.0
ATOM 2779 CB VAL B 79 -22.023 4.372 32.409 1.00 10.75 C7.0
ATOM 2780 CG1 VAL B 79 -21.759 5.854 32.267 1.00 9.27 C8.0
ATOM 2781 CG2 VAL B 79 -21.418 3.884 33.710 1.00 9.15 C9.0
ATOM 2782 N GLY B 80 -24.042 4.102 29.877 1.00 11.83 N10.0
ATOM 2783 CA GLY B 80 -24.664 4.535 28.704 1.00 11.91 C11.0
ATOM 2784 C GLY B 80 -26.104 4.306 28.503 1.00 11.84 C12.0
ATOM 2785 O GLY B 80 -26.710 4.983 27.623 1.00 11.95 O13.0
ATOM 2802 N GLY B 83 -32.313 4.089 28.457 1.00 11.98 N30.0
ATOM 2803 CA GLY B 83 -33.453 3.426 27.962 1.00 11.83 C31.0
ATOM 2804 C GLY B 83 -34.112 3.808 26.736 1.00 11.91 C32.0
ATOM 2805 O GLY B 83 -33.453 3.793 25.694 1.00 11.94 O33.0
ATOM 3014 N ARG B 113 -18.437 12.870 24.262 1.00 7.11 N42.0
ATOM 3015 CA ARG B 113 -19.007 11.568 23.810 1.00 7.72 C43.0
ATOM 3016 C ARG B 113 -20.247 11.774 23.044 1.00 7.97 C44.0
ATOM 3017 O ARG B 113 -20.597 12.963 22.990 1.00 7.08 O45.0
ATOM 3018 CB ARG B 113 -19.373 10.766 25.095 1.00 7.59 C46.0
ATOM 3019 CG ARG B 113 -18.076 10.430 25.842 1.00 4.61 C47.0
ATOM 3020 CD ARG B 113 -18.392 9.930 27.136 1.00 3.84 C48.0
ATOM 3021 NE ARG B 113 -17.416 9.304 27.839 1.00 6.36 N49.0
ATOM 3022 CZ ARG B 113 -16.211 8.889 28.019 1.00 7.98 C50.0
ATOM 3023 NH1 ARG B 113 -15.083 8.781 27.302 1.00 7.95 N51.0
ATOM 3024 NH2 ARG B 113 -15.956 8.472 29.270 1.00 8.87 N52.0
ATOM 3025 N THR B 114 -20.881 10.763 22.565 1.00 11.52 N53.0
ATOM 3026 CA THR B 114 -22.097 10.961 21.768 1.00 11.94 C54.0
ATOM 3027 C THR B 114 -23.370 10.418 22.421 1.00 11.89 C55.0
ATOM 3028 O THR B 114 -23.367 9.414 23.076 1.00 11.89 O56.0
ATOM 3029 CB THR B 114 -21.981 10.406 20.295 1.00 12.70 C57.0
ATOM 3030 OG1 THR B 114 -20.646 10.015 19.924 1.00 14.17 O58.0
ATOM 3031 CG2 THR B 114 -22.355 11.458 19.216 1.00 13.60 C59.0
ATOM 3032 N MET B 115 -24.437 11.137 22.215 1.00 11.92 N60.0
ATOM 3033 CA MET B 115 -25.785 10.870 22.563 1.00 11.89 C61.0
ATOM 3034 C MET B 115 -26.352 10.363 21.165 1.00 11.86 C62.0
ATOM 3035 O MET B 115 -26.244 10.980 20.115 1.00 11.71 O63.0
ATOM 3036 CB MET B 115 -26.708 11.918 23.083 1.00 11.44 C64.0
ATOM 3037 CG MET B 115 -26.673 12.283 24.462 1.00 10.56 C65.0
ATOM 3038 SD MET B 115 -27.187 11.093 25.690 1.00 9.71 S66.0
ATOM 3039 CE MET B 115 -28.502 10.214 24.935 1.00 8.48 C67.0
ATOM 3040 N VAL B 116 -26.933 9.176 21.322 1.00 11.97 N68.0
ATOM 3041 CA VAL B 116 -27.566 8.389 20.272 1.00 11.99 C69.0
ATOM 3042 C VAL B 116 -29.032 7.991 20.639 1.00 11.92 C70.0
ATOM 3043 O VAL B 116 -29.417 7.621 21.729 1.00 11.88 O71.0
ATOM 3044 CB VAL B 116 -26.697 7.214 19.770 1.00 10.20 C72.0
ATOM 3045 CG1 VAL B 116 -27.473 5.972 19.264 1.00 10.85 C73.0
ATOM 3046 CG2 VAL B 116 -25.799 7.684 18.550 1.00 11.91 C74.0
ATOM 3073 N LYS B 120 -35.265 1.766 17.205 1.00 10.11 N1.0
ATOM 3074 CA LYS B 120 -36.054 0.733 17.823 1.00 8.57 C2.0
ATOM 3075 C LYS B 120 -35.978 0.819 19.324 1.00 7.51 C3.0
ATOM 3076 O LYS B 120 -35.053 1.334 19.922 1.00 7.20 O4.0
ATOM 3077 CB LYS B 120 -35.777 -0.750 17.439 1.00 7.40 C5.0
ATOM 3078 CG LYS B 120 -36.251 -0.958 15.972 1.00 8.67 C6.0
ATOM 3079 CD LYS B 120 -35.695 -2.210 15.423 1.00 13.51 C7.0
ATOM 3080 CE LYS B 120 -35.220 -2.319 14.039 1.00 16.80 C8.0
ATOM 3081 NZ LYS B 120 -33.826 -2.150 13.588 1.00 18.56 N9.0
ATOM 3089 N ASP B 122 -35.813 -0.328 23.070 1.00 5.99 N17.0
ATOM 3090 CA ASP B 122 -34.641 -0.998 23.713 1.00 7.39 C18.0
ATOM 3091 C ASP B 122 -35.258 -2.026 24.675 1.00 7.24 C19.0
ATOM 3092 O ASP B 122 -36.216 -1.657 25.402 1.00 5.32 O20.0
ATOM 3093 CB ASP B 122 -33.681 0.021 24.303 1.00 7.56 C21.0
ATOM 3094 CG ASP B 122 -32.917 -0.292 25.510 1.00 10.28 C22.0
ATOM 3095 OD1 ASP B 122 -31.906 0.342 25.963 1.00 12.09 O23.0
ATOM 3096 OD2 ASP B 122 -33.254 -1.277 26.236 1.00 12.36 O24.0
ATOM 3105 N LEU B 124 -33.756 -3.543 26.999 1.00 6.46 N33.0
ATOM 3106 CA LEU B 124 -33.373 -3.287 28.426 1.00 6.84 C34.0
ATOM 3107 C LEU B 124 -32.586 -4.473 28.879 1.00 6.70 C35.0
ATOM 3108 O LEU B 124 -32.121 -4.498 29.988 1.00 7.15 O36.0
ATOM 3109 CB LEU B 124 -34.603 -2.746 29.130 1.00 5.00 C37.0
ATOM 3110 CG LEU B 124 -34.946 -1.302 28.740 1.00 3.80 C38.0
ATOM 3111 CD1 LEU B 124 -36.444 -1.119 28.744 1.00 4.63 C39.0
ATOM 3112 CD2 LEU B 124 -34.284 -0.397 29.749 1.00 3.44 C40.0
ATOM 3113 N GLY B 125 -32.368 -5.385 27.951 1.00 9.38 N41.0
ATOM 3114 CA GLY B 125 -31.570 -6.608 28.157 1.00 10.41 C42.0
ATOM 3115 C GLY B 125 -32.351 -7.816 28.510 1.00 11.83 C43.0
ATOM 3116 O GLY B 125 -31.673 -8.743 29.030 1.00 13.69 O44.0
ATOM 3162 N SER B 132 -29.254 -8.558 22.917 1.00 9.86 N90.0
ATOM 3163 CA SER B 132 -30.161 -7.890 23.841 1.00 9.92 C91.0
ATOM 3164 C SER B 132 -29.394 -7.335 25.040 1.00 9.01 C92.0
ATOM 3165 O SER B 132 -29.802 -6.310 25.631 1.00 8.88 O93.0
ATOM 3166 CB SER B 132 -31.317 -8.840 24.154 1.00 10.96 C94.0
ATOM 3167 OG SER B 132 -32.330 -8.035 24.730 1.00 11.77 O95.0
ATOM 3168 N THR B 133 -28.298 -8.020 25.308 1.00 7.33 N96.0
ATOM 3169 CA THR B 133 -27.406 -7.753 26.414 1.00 7.09 C97.0
ATOM 3170 C THR B 133 -26.149 -7.007 26.052 1.00 7.48 C98.0
ATOM 3171 O THR B 133 -25.135 -6.830 26.746 1.00 6.61 O99.0
ATOM 3172 CB THR B 133 -27.232 -9.164 27.123 1.00 8.12 C0.0
ATOM 3173 OG1 THR B 133 -25.971 -9.775 26.789 1.00 7.88 O1.0
ATOM 3174 CG2 THR B 133 -28.413 -10.124 26.721 1.00 7.32 C2.0
ATOM 3175 N LYS B 134 -26.207 -6.469 24.854 1.00 8.91 N3.0
ATOM 3176 CA LYS B 134 -25.126 -5.712 24.207 1.00 9.71 C4.0
ATOM 3177 C LYS B 134 -25.494 -4.274 23.953 1.00 10.17 C5.0
ATOM 3178 O LYS B 134 -24.983 -3.285 24.536 1.00 11.96 O6.0
ATOM 3179 CB LYS B 134 -24.912 -6.416 22.847 1.00 8.88 C7.0
ATOM 3180 CG LYS B 134 -24.316 -7.797 22.990 1.00 7.32 C8.0
ATOM 3181 CD LYS B 134 -22.775 -7.664 22.855 1.00 8.04 C9.0
ATOM 3182 CE LYS B 134 -22.380 -7.995 21.471 1.00 6.60 C10.0
ATOM 3183 NZ LYS B 134 -21.726 -7.105 20.583 1.00 5.99 N11.0
ATOM 3184 N THR B 135 -26.369 -4.148 23.035 1.00 9.46 N12.0
ATOM 3185 CA THR B 135 -27.112 -3.081 22.411 1.00 9.62 C13.0
ATOM 3186 C THR B 135 -28.421 -3.123 23.129 1.00 10.84 C14.0
ATOM 3187 O THR B 135 -28.168 -3.613 24.308 1.00 12.06 O15.0
ATOM 3188 CB THR B 135 -27.285 -3.640 20.935 1.00 9.34 C16.0
ATOM 3189 OG1 THR B 135 -25.999 -3.129 20.498 1.00 11.24 O17.0
ATOM 3190 CG2 THR B 135 -28.470 -3.321 20.109 1.00 8.75 C18.0
ATOM 3191 N GLY B 136 -29.528 -2.750 22.634 1.00 10.13 N19.0
ATOM 3192 CA GLY B 136 -30.743 -3.050 23.585 1.00 11.58 C20.0
ATOM 3193 C GLY B 136 -31.666 -3.722 22.496 1.00 11.12 C21.0
ATOM 3194 O GLY B 136 -32.827 -3.927 22.670 1.00 10.55 O22.0
ATOM 3203 N ALA B 138 -32.038 -2.005 19.911 1.00 12.08 N31.0
ATOM 3204 CA ALA B 138 -32.549 -0.703 19.595 1.00 12.17 C32.0
ATOM 3205 C ALA B 138 -32.219 -0.052 18.284 1.00 12.30 C33.0
ATOM 3206 O ALA B 138 -32.753 0.814 17.590 1.00 10.47 O34.0
ATOM 3207 CB ALA B 138 -31.829 0.225 20.727 1.00 10.70 C35.0
ATOM 3208 N GLY B 139 -31.002 -0.575 17.948 1.00 13.90 N36.0
ATOM 3209 CA GLY B 139 -30.179 -0.333 16.889 1.00 13.37 C37.0
ATOM 3210 C GLY B 139 -29.968 0.521 15.771 1.00 12.23 C38.0
ATOM 3211 O GLY B 139 -28.683 0.764 15.690 1.00 12.11 O39.0
ATOM 3212 N SER B 140 -30.784 1.051 14.883 1.00 12.32 N40.0
ATOM 3213 CA SER B 140 -30.071 1.900 13.817 1.00 12.53 C41.0
ATOM 3214 C SER B 140 -29.631 3.127 14.686 1.00 13.30 C42.0
ATOM 3215 O SER B 140 -30.051 3.268 15.877 1.00 13.64 O43.0
ATOM 3216 CB SER B 140 -30.780 2.285 12.631 1.00 11.94 C44.0
ATOM 3217 OG SER B 140 -31.354 1.466 11.706 1.00 12.88 O45.0
ATOM 3218 N ARG B 141 -28.779 3.957 14.068 1.00 12.15 N46.0
ATOM 3219 CA ARG B 141 -28.412 5.176 14.859 1.00 10.94 C47.0
ATOM 3220 C ARG B 141 -28.930 6.294 13.921 1.00 10.80 C48.0
ATOM 3221 O ARG B 141 -28.346 6.503 12.825 1.00 9.63 O49.0
ATOM 3222 CB ARG B 141 -27.001 5.428 15.226 1.00 9.30 C50.0
ATOM 3223 CG ARG B 141 -26.287 4.393 16.025 1.00 7.01 C51.0
ATOM 3224 CD ARG B 141 -24.782 4.715 16.071 1.00 6.39 C52.0
ATOM 3225 NE ARG B 141 -24.160 3.502 16.655 1.00 6.91 N53.0
ATOM 3226 CZ ARG B 141 -23.059 3.331 17.314 1.00 7.72 C54.0
ATOM 3227 NH1 ARG B 141 -22.289 4.403 17.600 1.00 8.03 N55.0
ATOM 3228 NH2 ARG B 141 -22.644 2.062 17.692 1.00 6.90 N56.0
ATOM 3229 N LEU B 142 -30.003 6.840 14.507 1.00 10.70 N57.0
ATOM 3230 CA LEU B 142 -30.711 7.909 13.821 1.00 12.02 C58.0
ATOM 3231 C LEU B 142 -30.444 9.354 14.035 1.00 12.26 C59.0
ATOM 3232 O LEU B 142 -31.083 10.201 13.324 1.00 13.92 O60.0
ATOM 3233 CB LEU B 142 -32.277 7.683 14.287 1.00 11.62 C61.0
ATOM 3234 CG LEU B 142 -32.826 6.947 13.067 1.00 13.58 C62.0
ATOM 3235 CD1 LEU B 142 -31.928 7.460 11.880 1.00 14.30 C63.0
ATOM 3236 CD2 LEU B 142 -32.582 5.440 13.207 1.00 13.22 C64.0
HETATM 3297 O HOH B 3 -24.285 0.252 20.846 1.00 8.50 O25.0
2sod_s4.desc
Site: 2sod_s4
[general]
number_of_metal_centers;2
number_of_first_shell_ligands;7
number_of_metal_ligand-atom_bonds;8
number_of_ligand-atom_metal_ligand-atom_angles;12
number_of_first_shell_h-bonds;9
number_of_second_shell_ligands;35
number_of_second_shell_h-bonds;18
number_of_intershell_contacts;0
number_of_intershell_h-bonds;15
number_of_disulfide-bonds;0
[metal_centers]
metal_center_1;CU.1.G;distorted tetrahedral;CU binding site
metal_center_1_atom_1;CU.CU.1.G
metal_center_2;ZN.2.G;distorted tetrahedral;ZN binding site
metal_center_2_atom_1;ZN.ZN.2.G
[first_shell_ligands]
# full residue name; denticity
HIS.44.G;1
HIS.46.G;1
HIS.61.G;1
HIS.118.G;1
HIS.69.G;1
HIS.78.G;1
ASP.81.G;1
[metal_ligand-atom_bonds]
# metal atom; ligand atom; distance; type
CU.CU.1.G,ND1.HIS.44.G,2.0559347,M-L bond
CU.CU.1.G,NE2.HIS.46.G,2.022887,M-L bond
CU.CU.1.G,NE2.HIS.61.G,2.2094507,M-L bond
CU.CU.1.G,NE2.HIS.118.G,2.0691242,M-L bond
ZN.ZN.2.G,ND1.HIS.61.G,2.0754104,M-L bond
ZN.ZN.2.G,ND1.HIS.69.G,2.1313784,M-L bond
ZN.ZN.2.G,ND1.HIS.78.G,2.087003,M-L bond
ZN.ZN.2.G,OD1.ASP.81.G,1.9909228,M-O bond
[ligand-atom_metal_ligand-atom_angles]
# atom1; atom2; atom3; angle; dist(1-2); dist(2-3); dist(1-3);type
ND1.HIS.44.G,CU.CU.1.G,NE2.HIS.46.G,149.8696,2.0559347,2.022887,3.9386446,L-M-L PROPER
ND1.HIS.44.G,CU.CU.1.G,NE2.HIS.61.G,87.33263,2.0559347,2.2094507,2.947159,L-M-L PROPER
ND1.HIS.44.G,CU.CU.1.G,NE2.HIS.118.G,84.38326,2.0559347,2.0691242,2.7704577,L-M-L PROPER
NE2.HIS.46.G,CU.CU.1.G,NE2.HIS.61.G,98.81994,2.022887,2.2094507,3.216263,L-M-L PROPER
NE2.HIS.46.G,CU.CU.1.G,NE2.HIS.118.G,104.52316,2.022887,2.0691242,3.2361407,L-M-L PROPER
NE2.HIS.61.G,CU.CU.1.G,NE2.HIS.118.G,146.54167,2.2094507,2.0691242,4.0976877,L-M-L PROPER
ND1.HIS.61.G,ZN.ZN.2.G,ND1.HIS.69.G,109.23363,2.0754104,2.1313784,3.4299386,L-M-L PROPER
ND1.HIS.61.G,ZN.ZN.2.G,ND1.HIS.78.G,121.25601,2.0754104,2.087003,3.6273546,L-M-L PROPER
ND1.HIS.61.G,ZN.ZN.2.G,OD1.ASP.81.G,105.800995,2.0754104,1.9909228,3.2436635,L-M-L PROPER
ND1.HIS.69.G,ZN.ZN.2.G,ND1.HIS.78.G,116.35592,2.1313784,2.087003,3.5843925,L-M-L PROPER
ND1.HIS.69.G,ZN.ZN.2.G,OD1.ASP.81.G,90.08453,2.1313784,1.9909228,2.9187446,L-M-L PROPER
ND1.HIS.78.G,ZN.ZN.2.G,OD1.ASP.81.G,109.026985,2.087003,1.9909228,3.3209286,L-M-L PROPER
[first_shell_h-bonds]
# donor; acceptor; length; type
N.HIS.61.G,ND1.HIS.46.G,3.580331,HBOND
ND1.HIS.61.G,ND1.HIS.69.G,3.4299386,HBOND
ND1.HIS.61.G,ND1.HIS.78.G,3.6273546,HBOND
ND1.HIS.61.G,OD1.ASP.81.G,3.2436635,HBOND
ND1.HIS.69.G,ND1.HIS.78.G,3.5843925,HBOND
ND1.HIS.69.G,OD1.ASP.81.G,2.9187446,HBOND
N.HIS.78.G,OD2.ASP.81.G,2.4341264,HBOND
ND1.HIS.78.G,OD1.ASP.81.G,3.3209286,HBOND
N.ASP.81.G,O.HIS.78.G,3.0786464,HBOND
[second_shell_components]
# full residue name
HIS.41.G
GLY.42.G
VAL.45.G
GLN.47.G
PHE.48.G
GLY.59.G
PRO.60.G
PHE.62.G
ASN.63.G
LYS.67.G
LYS.68.G
GLY.70.G
GLY.71.G
PRO.72.G
ARG.77.G
VAL.79.G
GLY.80.G
GLY.83.G
ARG.113.G
THR.114.G
MET.115.G
VAL.116.G
LYS.120.G
ASP.122.G
LEU.124.G
SER.132.G
THR.133.G
LYS.134.G
THR.135.G
GLY.136.G
ALA.138.G
GLY.139.G
SER.140.G
ARG.141.G
HOH.3.G
[second_shell_h-bonds]
# donor; acceptor; length; type
N.GLY.42.G,O.LYS.120.G,3.1223426,HBOND
N.VAL.45.G,O.GLY.80.G,3.0852516,HBOND
N.GLN.47.G,O.PRO.60.G,2.3012288,HBOND
N.PHE.62.G,O.VAL.45.G,2.7550175,HBOND
ND2.ASN.63.G,O.PHE.62.G,3.6578627,HBOND
N.LYS.67.G,OD1.ASN.63.G,2.9686458,HBOND
NH1.ARG.77.G,O.GLY.71.G,3.3138812,HBOND
NH1.ARG.77.G,O.PRO.72.G,2.131599,HBOND
N.VAL.79.G,O.PHE.62.G,2.8973098,HBOND
N.GLY.80.G,O.PHE.62.G,3.1323125,HBOND
NH1.ARG.113.G,O.GLN.47.G,2.3041234,HBOND
N.THR.114.G,O.PHE.48.G,3.1644325,HBOND
OG1.THR.114.G,O.PHE.48.G,2.534764,HBOND
N.LEU.124.G,OD2.ASP.122.G,2.8561096,HBOND
N.ALA.138.G,O.THR.135.G,3.4343078,HBOND
OG.SER.140.G,O.ARG.141.G,3.29731,HBOND
NH1.ARG.141.G,O.GLY.59.G,2.8635414,HBOND
NH2.ARG.141.G,O.GLY.59.G,2.9597201,HBOND
[inter_shell_contacts]
# atom 1; atom 2; length; type
[inter_shell_h-bonds]
# donor; acceptor; length; type
N.GLY.42.G,O.HIS.118.G,3.5527804,HBOND
N.HIS.44.G,O.VAL.116.G,2.844304,HBOND
N.HIS.46.G,O.THR.114.G,3.0412998,HBOND
ND1.HIS.46.G,O.GLY.59.G,2.6141355,HBOND
N.PHE.48.G,O.HIS.46.G,3.5265777,HBOND
ND1.HIS.61.G,O.LYS.134.G,3.6437302,HBOND
N.ASN.63.G,O.HIS.61.G,3.1553879,HBOND
N.GLY.70.G,OD2.ASP.81.G,3.4090881,HBOND
NE.ARG.77.G,O.ASP.81.G,3.6186745,HBOND
N.THR.114.G,O.HIS.46.G,3.4901557,HBOND
N.VAL.116.G,O.HIS.44.G,2.7141547,HBOND
N.HIS.118.G,O.GLY.42.G,3.0156264,HBOND
ND1.HIS.118.G,O.HOH.3.G,3.4628272,HBOND
N.LYS.120.G,O.HIS.118.G,2.8637598,HBOND
NH1.ARG.141.G,ND1.HIS.46.G,2.840103,HBOND
[disulfide_bonds]
# atom1; atom2; length; type
2sod_s4.pdb
REMARK 800 SITE Metal-biding site number 4 from 2sod
REMARK 800 Automatically generated using MSIT
REMARK 800 <http://metallo.scripps.edu/docs/MSIT>
REMARK 800 SITE_IDENTIFIER: MET
REMARK 800 SITE_DESCRIPTION: Metal Atoms.
REMARK 800 SITE_IDENTIFIER: MS1
REMARK 800 SITE_DESCRIPTION: First Shell residues.
REMARK 800 SITE_IDENTIFIER: MS2
REMARK 800 SITE_DESCRIPTION: Second Shell residues.
SITE 1 MET 2 CU G4394 ZN G4395
SITE 1 MS1 9 HIS G 44 HIS G 46 HIS G 61
SITE 2 MS1 9 HIS G 118 CU G 1 HIS G 69
SITE 3 MS1 9 HIS G 78 ASP G 81 ZN G 2
SITE 1 MS2 35 HIS G 41 GLY G 42 VAL G 45
SITE 2 MS2 35 GLN G 47 PHE G 48 GLY G 59
SITE 3 MS2 35 PRO G 60 PHE G 62 ASN G 63
SITE 4 MS2 35 LYS G 67 LYS G 68 GLY G 70
SITE 5 MS2 35 GLY G 71 PRO G 72 ARG G 77
SITE 6 MS2 35 VAL G 79 GLY G 80 GLY G 83
SITE 7 MS2 35 ARG G 113 THR G 114 MET G 115
SITE 8 MS2 35 VAL G 116 LYS G 120 ASP G 122
SITE 9 MS2 35 LEU G 124 SER G 132 THR G 133
SITE 10 MS2 35 LYS G 134 THR G 135 GLY G 136
SITE 11 MS2 35 ALA G 138 GLY G 139 SER G 140
SITE 12 MS2 35 ARG G 141 HOH G 3
ATOM 3603 N HIS G 44 -9.291 29.087 16.552 1.00 11.82 N31.0
ATOM 3604 CA HIS G 44 -9.476 28.992 17.946 1.00 11.83 C32.0
ATOM 3605 C HIS G 44 -10.457 28.027 18.563 1.00 11.90 C33.0
ATOM 3606 O HIS G 44 -11.404 27.449 18.092 1.00 11.75 O34.0
ATOM 3607 CB HIS G 44 -9.999 30.402 18.441 1.00 10.37 C35.0
ATOM 3608 CG HIS G 44 -9.414 31.591 17.762 1.00 9.23 C36.0
ATOM 3609 ND1 HIS G 44 -10.226 32.417 16.983 1.00 9.48 N37.0
ATOM 3610 CD2 HIS G 44 -8.212 32.156 17.711 1.00 8.48 C38.0
ATOM 3611 CE1 HIS G 44 -9.514 33.430 16.522 1.00 9.01 C39.0
ATOM 3612 NE2 HIS G 44 -8.310 33.292 16.933 1.00 8.78 N40.0
ATOM 3620 N HIS G 46 -12.872 28.123 21.393 1.00 11.78 N48.0
ATOM 3621 CA HIS G 46 -13.906 28.959 21.969 1.00 11.75 C49.0
ATOM 3622 C HIS G 46 -14.551 28.212 23.147 1.00 11.71 C50.0
ATOM 3623 O HIS G 46 -14.745 26.994 23.114 1.00 11.94 O51.0
ATOM 3624 CB HIS G 46 -15.019 29.370 20.989 1.00 8.77 C52.0
ATOM 3625 CG HIS G 46 -14.606 30.521 20.152 1.00 8.49 C53.0
ATOM 3626 ND1 HIS G 46 -15.002 31.812 20.357 1.00 8.17 N54.0
ATOM 3627 CD2 HIS G 46 -13.805 30.580 19.057 1.00 8.97 C55.0
ATOM 3628 CE1 HIS G 46 -14.495 32.621 19.444 1.00 8.21 C56.0
ATOM 3629 NE2 HIS G 46 -13.770 31.885 18.617 1.00 8.81 N57.0
ATOM 3725 N HIS G 61 -13.265 32.714 23.355 1.00 11.87 N53.0
ATOM 3726 CA HIS G 61 -12.044 31.933 23.298 1.00 11.94 C54.0
ATOM 3727 C HIS G 61 -11.913 31.350 24.733 1.00 11.99 C55.0
ATOM 3728 O HIS G 61 -12.445 31.964 25.685 1.00 11.91 O56.0
ATOM 3729 CB HIS G 61 -10.737 32.766 23.067 1.00 10.29 C57.0
ATOM 3730 CG HIS G 61 -10.693 33.261 21.654 1.00 10.13 C58.0
ATOM 3731 ND1 HIS G 61 -9.836 34.129 21.099 1.00 9.02 N59.0
ATOM 3732 CD2 HIS G 61 -11.560 32.901 20.647 1.00 10.02 C60.0
ATOM 3733 CE1 HIS G 61 -10.126 34.299 19.819 1.00 9.05 C61.0
ATOM 3734 NE2 HIS G 61 -11.182 33.566 19.523 1.00 9.60 N62.0
ATOM 4153 N HIS G 118 -12.519 31.166 11.516 1.00 11.89 N81.0
ATOM 4154 CA HIS G 118 -12.923 32.511 11.264 1.00 11.82 C82.0
ATOM 4155 C HIS G 118 -12.601 32.927 9.880 1.00 11.94 C83.0
ATOM 4156 O HIS G 118 -11.447 32.820 9.524 1.00 12.05 O84.0
ATOM 4157 CB HIS G 118 -12.138 33.567 12.162 1.00 8.79 C85.0
ATOM 4158 CG HIS G 118 -12.522 33.392 13.616 1.00 9.05 C86.0
ATOM 4159 ND1 HIS G 118 -13.758 33.806 14.130 1.00 7.23 N87.0
ATOM 4160 CD2 HIS G 118 -11.866 32.828 14.663 1.00 9.18 C88.0
ATOM 4161 CE1 HIS G 118 -13.788 33.520 15.398 1.00 8.69 C89.0
ATOM 4162 NE2 HIS G 118 -12.660 32.915 15.757 1.00 9.40 N90.0
HETATM 4394 CU CU G 1 -12.122 32.663 17.739 1.00 11.68 CU22.0
ATOM 3793 N HIS G 69 -5.054 38.407 24.350 1.00 12.08 N21.0
ATOM 3794 CA HIS G 69 -5.159 37.490 23.222 1.00 12.00 C22.0
ATOM 3795 C HIS G 69 -3.900 37.794 22.454 1.00 12.04 C23.0
ATOM 3796 O HIS G 69 -3.383 38.950 22.662 1.00 11.94 O24.0
ATOM 3797 CB HIS G 69 -6.416 37.985 22.366 1.00 11.37 C25.0
ATOM 3798 CG HIS G 69 -6.464 37.331 21.006 1.00 10.23 C26.0
ATOM 3799 ND1 HIS G 69 -7.122 36.183 20.675 1.00 10.32 N27.0
ATOM 3800 CD2 HIS G 69 -5.815 37.733 19.887 1.00 10.30 C28.0
ATOM 3801 CE1 HIS G 69 -6.866 35.906 19.394 1.00 9.73 C29.0
ATOM 3802 NE2 HIS G 69 -6.093 36.800 18.893 1.00 10.04 N30.0
ATOM 3864 N HIS G 78 -4.636 33.604 25.037 1.00 11.93 N92.0
ATOM 3865 CA HIS G 78 -5.755 32.800 25.556 1.00 11.84 C93.0
ATOM 3866 C HIS G 78 -5.299 31.325 25.259 1.00 11.93 C94.0
ATOM 3867 O HIS G 78 -4.520 31.116 24.291 1.00 11.95 O95.0
ATOM 3868 CB HIS G 78 -7.138 32.876 24.900 1.00 8.70 C96.0
ATOM 3869 CG HIS G 78 -7.555 34.302 24.997 1.00 8.42 C97.0
ATOM 3870 ND1 HIS G 78 -7.908 35.121 24.007 1.00 8.72 N98.0
ATOM 3871 CD2 HIS G 78 -7.599 35.015 26.156 1.00 7.57 C99.0
ATOM 3872 CE1 HIS G 78 -8.206 36.338 24.542 1.00 8.96 C0.0
ATOM 3873 NE2 HIS G 78 -8.015 36.269 25.859 1.00 7.10 N1.0
ATOM 3885 N ASP G 81 -6.117 30.571 21.716 1.00 11.92 N13.0
ATOM 3886 CA ASP G 81 -5.389 31.132 20.551 1.00 11.93 C14.0
ATOM 3887 C ASP G 81 -4.367 30.137 19.996 1.00 11.89 C15.0
ATOM 3888 O ASP G 81 -3.362 29.887 20.683 1.00 11.87 O16.0
ATOM 3889 CB ASP G 81 -4.644 32.408 21.027 1.00 10.17 C17.0
ATOM 3890 CG ASP G 81 -5.526 33.358 21.799 1.00 8.15 C18.0
ATOM 3891 OD1 ASP G 81 -6.694 33.399 21.440 1.00 8.99 O19.0
ATOM 3892 OD2 ASP G 81 -5.211 34.103 22.725 1.00 7.15 O20.0
HETATM 4395 ZN ZN G 2 -8.054 34.758 21.957 1.00 10.69 ZN23.0
ATOM 3578 N HIS G 41 -6.453 32.081 7.929 1.00 11.92 N6.0
ATOM 3579 CA HIS G 41 -7.659 32.167 8.809 1.00 12.00 C7.0
ATOM 3580 C HIS G 41 -7.503 32.040 10.281 1.00 11.93 C8.0
ATOM 3581 O HIS G 41 -6.684 31.218 10.739 1.00 11.99 O9.0
ATOM 3582 CB HIS G 41 -8.786 31.015 8.455 1.00 11.36 C10.0
ATOM 3583 CG HIS G 41 -9.284 31.594 7.153 1.00 11.91 C11.0
ATOM 3584 ND1 HIS G 41 -8.861 31.139 5.909 1.00 11.98 N12.0
ATOM 3585 CD2 HIS G 41 -10.031 32.675 6.940 1.00 12.75 C13.0
ATOM 3586 CE1 HIS G 41 -9.382 31.887 4.990 1.00 12.41 C14.0
ATOM 3587 NE2 HIS G 41 -10.111 32.845 5.570 1.00 13.84 N15.0
ATOM 3588 N GLY G 42 -8.244 32.794 11.061 1.00 11.80 N16.0
ATOM 3589 CA GLY G 42 -8.136 32.703 12.519 1.00 11.95 C17.0
ATOM 3590 C GLY G 42 -8.662 31.309 12.969 1.00 11.93 C18.0
ATOM 3591 O GLY G 42 -9.686 30.850 12.500 1.00 11.80 O19.0
ATOM 3613 N VAL G 45 -10.152 27.821 19.857 1.00 11.95 N41.0
ATOM 3614 CA VAL G 45 -10.933 26.985 20.779 1.00 11.95 C42.0
ATOM 3615 C VAL G 45 -11.626 28.027 21.694 1.00 11.82 C43.0
ATOM 3616 O VAL G 45 -11.055 28.701 22.508 1.00 11.83 O44.0
ATOM 3617 CB VAL G 45 -10.281 25.798 21.476 1.00 9.26 C45.0
ATOM 3618 CG1 VAL G 45 -8.803 25.790 21.854 1.00 7.98 C46.0
ATOM 3619 CG2 VAL G 45 -11.153 25.525 22.676 1.00 9.67 C47.0
ATOM 3630 N GLN G 47 -14.834 28.956 24.160 1.00 9.84 N58.0
ATOM 3631 CA GLN G 47 -15.473 28.590 25.372 1.00 9.96 C59.0
ATOM 3632 C GLN G 47 -16.273 27.344 25.523 1.00 9.63 C60.0
ATOM 3633 O GLN G 47 -15.808 26.271 26.006 1.00 11.15 O61.0
ATOM 3634 CB GLN G 47 -16.589 29.749 25.445 1.00 10.52 C62.0
ATOM 3635 CG GLN G 47 -16.073 30.780 26.374 1.00 11.16 C63.0
ATOM 3636 CD GLN G 47 -16.241 30.340 27.840 1.00 11.81 C64.0
ATOM 3637 OE1 GLN G 47 -15.927 29.257 28.325 1.00 8.77 O65.0
ATOM 3638 NE2 GLN G 47 -16.766 31.445 28.391 1.00 11.07 N66.0
ATOM 3639 N PHE G 48 -17.561 27.383 25.201 1.00 8.39 N67.0
ATOM 3640 CA PHE G 48 -18.483 26.248 25.335 1.00 8.28 C68.0
ATOM 3641 C PHE G 48 -18.695 25.409 24.098 1.00 8.44 C69.0
ATOM 3642 O PHE G 48 -18.118 25.681 23.017 1.00 8.76 O70.0
ATOM 3643 CB PHE G 48 -19.857 26.840 25.778 1.00 6.28 C71.0
ATOM 3644 CG PHE G 48 -19.789 27.897 26.781 1.00 6.60 C72.0
ATOM 3645 CD1 PHE G 48 -19.561 27.514 28.157 1.00 7.73 C73.0
ATOM 3646 CD2 PHE G 48 -19.941 29.249 26.444 1.00 5.14 C74.0
ATOM 3647 CE1 PHE G 48 -19.467 28.480 29.145 1.00 7.44 C75.0
ATOM 3648 CE2 PHE G 48 -19.834 30.219 27.424 1.00 6.44 C76.0
ATOM 3649 CZ PHE G 48 -19.604 29.826 28.776 1.00 7.20 C77.0
ATOM 3714 N GLY G 59 -19.388 30.855 22.587 1.00 9.47 N42.0
ATOM 3715 CA GLY G 59 -18.783 31.861 23.383 1.00 7.87 C43.0
ATOM 3716 C GLY G 59 -17.471 32.409 23.003 1.00 6.67 C44.0
ATOM 3717 O GLY G 59 -17.051 32.382 21.877 1.00 6.80 O45.0
ATOM 3718 N PRO G 60 -16.811 32.976 23.987 1.00 7.73 N46.0
ATOM 3719 CA PRO G 60 -15.472 33.549 23.730 1.00 8.60 C47.0
ATOM 3720 C PRO G 60 -14.499 32.383 23.669 1.00 8.63 C48.0
ATOM 3721 O PRO G 60 -14.777 31.232 23.825 1.00 7.97 O49.0
ATOM 3722 CB PRO G 60 -15.288 34.509 24.887 1.00 8.83 C50.0
ATOM 3723 CG PRO G 60 -16.183 34.001 26.004 1.00 8.44 C51.0
ATOM 3724 CD PRO G 60 -17.225 33.129 25.386 1.00 7.71 C52.0
ATOM 3735 N PHE G 62 -11.226 30.241 24.786 1.00 11.85 N63.0
ATOM 3736 CA PHE G 62 -11.055 29.633 26.118 1.00 11.85 C64.0
ATOM 3737 C PHE G 62 -9.891 30.386 26.739 1.00 11.88 C65.0
ATOM 3738 O PHE G 62 -8.669 30.529 26.449 1.00 11.83 O66.0
ATOM 3739 CB PHE G 62 -11.173 28.099 25.932 1.00 11.30 C67.0
ATOM 3740 CG PHE G 62 -10.686 27.324 27.127 1.00 10.43 C68.0
ATOM 3741 CD1 PHE G 62 -9.381 26.761 26.995 1.00 9.67 C69.0
ATOM 3742 CD2 PHE G 62 -11.384 27.235 28.321 1.00 9.24 C70.0
ATOM 3743 CE1 PHE G 62 -8.803 26.085 28.028 1.00 8.82 C71.0
ATOM 3744 CE2 PHE G 62 -10.821 26.553 29.379 1.00 9.26 C72.0
ATOM 3745 CZ PHE G 62 -9.512 25.993 29.203 1.00 9.33 C73.0
ATOM 3746 N ASN G 63 -10.332 31.048 27.842 1.00 11.82 N74.0
ATOM 3747 CA ASN G 63 -9.390 31.873 28.651 1.00 10.11 C75.0
ATOM 3748 C ASN G 63 -9.569 31.631 30.138 1.00 9.61 C76.0
ATOM 3749 O ASN G 63 -10.009 32.486 30.918 1.00 7.65 O77.0
ATOM 3750 CB ASN G 63 -9.633 33.277 28.056 1.00 8.98 C78.0
ATOM 3751 CG ASN G 63 -8.377 34.060 28.519 1.00 7.20 C79.0
ATOM 3752 OD1 ASN G 63 -8.465 35.202 28.770 1.00 4.96 O80.0
ATOM 3753 ND2 ASN G 63 -7.350 33.195 28.578 1.00 7.90 N81.0
ATOM 3775 N LYS G 67 -6.222 36.303 30.373 1.00 11.51 N3.0
ATOM 3776 CA LYS G 67 -5.123 36.910 29.552 1.00 9.98 C4.0
ATOM 3777 C LYS G 67 -5.735 37.607 28.381 1.00 10.83 C5.0
ATOM 3778 O LYS G 67 -6.939 37.471 28.135 1.00 10.24 O6.0
ATOM 3779 CB LYS G 67 -4.067 35.984 29.167 1.00 9.39 C7.0
ATOM 3780 CG LYS G 67 -3.343 35.263 30.301 1.00 9.78 C8.0
ATOM 3781 CD LYS G 67 -2.097 34.583 29.616 1.00 9.49 C9.0
ATOM 3782 CE LYS G 67 -1.193 34.036 30.713 1.00 11.47 C10.0
ATOM 3783 NZ LYS G 67 -1.759 34.442 32.074 1.00 9.36 N11.0
ATOM 3784 N LYS G 68 -4.809 38.359 27.727 1.00 12.02 N12.0
ATOM 3785 CA LYS G 68 -5.371 39.145 26.570 1.00 13.43 C13.0
ATOM 3786 C LYS G 68 -5.514 38.150 25.466 1.00 13.96 C14.0
ATOM 3787 O LYS G 68 -6.160 37.107 25.697 1.00 16.21 O15.0
ATOM 3788 CB LYS G 68 -4.669 40.426 26.283 1.00 12.78 C16.0
ATOM 3789 CG LYS G 68 -5.091 41.420 27.410 1.00 11.19 C17.0
ATOM 3790 CD LYS G 68 -4.165 42.637 27.156 1.00 14.52 C18.0
ATOM 3791 CE LYS G 68 -3.678 43.088 28.549 1.00 16.47 C19.0
ATOM 3792 NZ LYS G 68 -4.862 43.484 29.420 1.00 17.47 N20.0
ATOM 3803 N GLY G 70 -3.525 36.859 21.637 1.00 11.23 N31.0
ATOM 3804 CA GLY G 70 -2.359 37.082 20.751 1.00 12.17 C32.0
ATOM 3805 C GLY G 70 -2.394 35.676 20.053 1.00 11.39 C33.0
ATOM 3806 O GLY G 70 -3.332 35.415 19.308 1.00 10.69 O34.0
ATOM 3807 N GLY G 71 -1.334 35.003 20.515 1.00 11.48 N35.0
ATOM 3808 CA GLY G 71 -1.240 33.671 20.054 1.00 12.20 C36.0
ATOM 3809 C GLY G 71 -0.365 32.588 20.552 1.00 12.30 C37.0
ATOM 3810 O GLY G 71 0.067 32.470 21.708 1.00 11.59 O38.0
ATOM 3811 N PRO G 72 -0.160 31.704 19.521 1.00 11.77 N39.0
ATOM 3812 CA PRO G 72 0.576 30.506 19.799 1.00 12.03 C40.0
ATOM 3813 C PRO G 72 1.792 30.837 20.625 1.00 11.97 C41.0
ATOM 3814 O PRO G 72 1.904 30.314 21.767 1.00 10.22 O42.0
ATOM 3815 CB PRO G 72 0.720 29.729 18.482 1.00 11.85 C43.0
ATOM 3816 CG PRO G 72 -0.186 30.442 17.516 1.00 12.11 C44.0
ATOM 3817 CD PRO G 72 -0.650 31.719 18.155 1.00 11.65 C45.0
ATOM 3853 N ARG G 77 -1.459 34.916 25.924 1.00 11.11 N81.0
ATOM 3854 CA ARG G 77 -2.392 34.389 24.994 1.00 11.10 C82.0
ATOM 3855 C ARG G 77 -3.487 33.634 25.736 1.00 11.60 C83.0
ATOM 3856 O ARG G 77 -3.257 33.157 26.891 1.00 11.58 O84.0
ATOM 3857 CB ARG G 77 -1.692 33.353 24.026 1.00 6.97 C85.0
ATOM 3858 CG ARG G 77 -1.486 32.009 24.574 1.00 8.33 C86.0
ATOM 3859 CD ARG G 77 -1.058 30.924 23.736 1.00 8.86 C87.0
ATOM 3860 NE ARG G 77 -1.584 29.509 23.812 1.00 8.13 N88.0
ATOM 3861 CZ ARG G 77 -0.859 28.681 23.019 1.00 8.47 C89.0
ATOM 3862 NH1 ARG G 77 0.155 29.206 22.274 1.00 10.48 N90.0
ATOM 3863 NH2 ARG G 77 -0.877 27.422 22.837 1.00 8.55 N91.0
ATOM 3874 N VAL G 79 -5.799 30.425 26.066 1.00 11.94 N2.0
ATOM 3875 CA VAL G 79 -5.402 29.009 25.809 1.00 12.02 C3.0
ATOM 3876 C VAL G 79 -5.897 28.677 24.405 1.00 11.96 C4.0
ATOM 3877 O VAL G 79 -5.301 27.900 23.672 1.00 11.97 O5.0
ATOM 3878 CB VAL G 79 -5.978 28.057 26.889 1.00 12.76 C6.0
ATOM 3879 CG1 VAL G 79 -5.643 26.603 26.591 1.00 10.60 C7.0
ATOM 3880 CG2 VAL G 79 -5.522 28.563 28.275 1.00 12.71 C8.0
ATOM 3881 N GLY G 80 -7.002 29.285 24.107 1.00 11.87 N9.0
ATOM 3882 CA GLY G 80 -7.745 29.205 22.887 1.00 11.97 C10.0
ATOM 3883 C GLY G 80 -7.098 29.712 21.666 1.00 11.93 C11.0
ATOM 3884 O GLY G 80 -7.509 29.247 20.564 1.00 11.98 O12.0
ATOM 3901 N GLY G 83 -3.759 30.499 16.511 1.00 12.01 N29.0
ATOM 3902 CA GLY G 83 -3.474 31.402 15.500 1.00 11.86 C30.0
ATOM 3903 C GLY G 83 -4.162 31.393 14.204 1.00 11.92 C31.0
ATOM 3904 O GLY G 83 -5.398 31.625 14.218 1.00 11.98 O32.0
ATOM 4113 N ARG G 113 -15.644 21.340 23.854 1.00 7.75 N41.0
ATOM 4114 CA ARG G 113 -15.764 22.734 23.427 1.00 8.44 C42.0
ATOM 4115 C ARG G 113 -15.715 22.849 21.931 1.00 9.34 C43.0
ATOM 4116 O ARG G 113 -15.506 21.881 21.213 1.00 9.15 O44.0
ATOM 4117 CB ARG G 113 -14.603 23.591 23.982 1.00 6.92 C45.0
ATOM 4118 CG ARG G 113 -14.268 23.127 25.416 1.00 5.71 C46.0
ATOM 4119 CD ARG G 113 -13.336 24.079 25.996 1.00 5.57 C47.0
ATOM 4120 NE ARG G 113 -13.122 24.011 27.427 1.00 6.41 N48.0
ATOM 4121 CZ ARG G 113 -13.849 24.642 28.333 1.00 4.49 C49.0
ATOM 4122 NH1 ARG G 113 -14.938 25.224 27.865 1.00 6.31 N50.0
ATOM 4123 NH2 ARG G 113 -13.443 24.731 29.569 1.00 3.65 N51.0
ATOM 4124 N THR G 114 -15.835 24.095 21.505 1.00 11.63 N52.0
ATOM 4125 CA THR G 114 -15.884 24.281 20.029 1.00 11.91 C53.0
ATOM 4126 C THR G 114 -14.566 24.773 19.504 1.00 11.88 C54.0
ATOM 4127 O THR G 114 -13.872 25.569 20.079 1.00 11.92 O55.0
ATOM 4128 CB THR G 114 -17.232 25.034 19.693 1.00 11.59 C56.0
ATOM 4129 OG1 THR G 114 -18.228 24.650 20.704 1.00 10.11 O57.0
ATOM 4130 CG2 THR G 114 -17.819 24.657 18.296 1.00 11.35 C58.0
ATOM 4131 N MET G 115 -14.230 24.269 18.398 1.00 11.92 N59.0
ATOM 4132 CA MET G 115 -13.029 24.604 17.571 1.00 11.97 C60.0
ATOM 4133 C MET G 115 -13.670 25.397 16.420 1.00 11.92 C61.0
ATOM 4134 O MET G 115 -14.663 24.919 15.791 1.00 11.87 O62.0
ATOM 4135 CB MET G 115 -12.364 23.303 17.362 1.00 11.56 C63.0
ATOM 4136 CG MET G 115 -11.144 23.111 16.615 1.00 11.90 C64.0
ATOM 4137 SD MET G 115 -9.684 23.942 17.318 1.00 10.73 S65.0
ATOM 4138 CE MET G 115 -9.693 23.526 19.016 1.00 11.24 C66.0
ATOM 4139 N VAL G 116 -13.180 26.621 16.214 1.00 12.00 N67.0
ATOM 4140 CA VAL G 116 -13.652 27.559 15.169 1.00 11.94 C68.0
ATOM 4141 C VAL G 116 -12.481 28.181 14.367 1.00 11.94 C69.0
ATOM 4142 O VAL G 116 -11.353 28.487 14.687 1.00 11.83 O70.0
ATOM 4143 CB VAL G 116 -14.755 28.562 15.625 1.00 9.26 C71.0
ATOM 4144 CG1 VAL G 116 -14.717 28.873 17.097 1.00 8.27 C72.0
ATOM 4145 CG2 VAL G 116 -14.809 29.882 14.925 1.00 8.88 C73.0
ATOM 4172 N LYS G 120 -11.526 35.322 8.133 1.00 10.62 N0.0
ATOM 4173 CA LYS G 120 -10.613 36.397 8.224 1.00 9.65 C1.0
ATOM 4174 C LYS G 120 -9.425 36.121 9.177 1.00 9.24 C2.0
ATOM 4175 O LYS G 120 -9.624 35.464 10.215 1.00 8.55 O3.0
ATOM 4176 CB LYS G 120 -11.257 37.650 8.879 1.00 11.16 C4.0
ATOM 4177 CG LYS G 120 -10.683 38.974 8.320 1.00 12.42 C5.0
ATOM 4178 CD LYS G 120 -11.405 39.202 6.950 1.00 14.11 C6.0
ATOM 4179 CE LYS G 120 -10.512 39.623 5.805 1.00 13.76 C7.0
ATOM 4180 NZ LYS G 120 -11.072 39.362 4.455 1.00 12.81 N8.0
ATOM 4188 N ASP G 122 -5.989 36.425 11.784 1.00 7.87 N16.0
ATOM 4189 CA ASP G 122 -6.135 36.732 13.273 1.00 8.82 C17.0
ATOM 4190 C ASP G 122 -5.515 38.129 13.393 1.00 10.11 C18.0
ATOM 4191 O ASP G 122 -5.896 38.914 12.420 1.00 11.25 O19.0
ATOM 4192 CB ASP G 122 -5.817 35.614 14.120 1.00 7.36 C20.0
ATOM 4193 CG ASP G 122 -5.906 35.706 15.615 1.00 6.31 C21.0
ATOM 4194 OD1 ASP G 122 -6.340 34.712 16.248 1.00 6.28 O22.0
ATOM 4195 OD2 ASP G 122 -5.462 36.789 16.132 1.00 4.67 O23.0
ATOM 4204 N LEU G 124 -3.126 38.432 16.100 1.00 8.58 N32.0
ATOM 4205 CA LEU G 124 -2.089 38.063 17.123 1.00 7.54 C33.0
ATOM 4206 C LEU G 124 -2.170 39.109 18.218 1.00 7.04 C34.0
ATOM 4207 O LEU G 124 -1.533 38.996 19.248 1.00 6.01 O35.0
ATOM 4208 CB LEU G 124 -0.809 37.654 16.418 1.00 5.74 C36.0
ATOM 4209 CG LEU G 124 -0.947 36.194 15.870 1.00 6.75 C37.0
ATOM 4210 CD1 LEU G 124 -1.890 36.032 14.722 1.00 6.04 C38.0
ATOM 4211 CD2 LEU G 124 0.457 35.758 15.430 1.00 8.93 C39.0
ATOM 4261 N SER G 132 -9.078 43.427 19.047 1.00 10.07 N89.0
ATOM 4262 CA SER G 132 -7.878 42.744 18.703 1.00 10.31 C90.0
ATOM 4263 C SER G 132 -7.317 41.919 19.867 1.00 9.23 C91.0
ATOM 4264 O SER G 132 -6.794 40.814 19.815 1.00 8.98 O92.0
ATOM 4265 CB SER G 132 -6.914 43.904 18.342 1.00 11.22 C93.0
ATOM 4266 OG SER G 132 -5.615 43.647 17.882 1.00 13.43 O94.0
ATOM 4267 N THR G 133 -7.395 42.438 21.018 1.00 9.97 N95.0
ATOM 4268 CA THR G 133 -7.027 42.075 22.382 1.00 10.92 C96.0
ATOM 4269 C THR G 133 -8.030 41.116 23.040 1.00 10.45 C97.0
ATOM 4270 O THR G 133 -8.024 40.792 24.258 1.00 9.83 O98.0
ATOM 4271 CB THR G 133 -6.884 43.456 23.198 1.00 11.52 C99.0
ATOM 4272 OG1 THR G 133 -5.588 43.981 22.722 1.00 10.85 O0.0
ATOM 4273 CG2 THR G 133 -7.117 43.378 24.703 1.00 10.77 C1.0
ATOM 4274 N LYS G 134 -8.960 40.686 22.192 1.00 10.64 N2.0
ATOM 4275 CA LYS G 134 -9.971 39.746 22.747 1.00 12.20 C3.0
ATOM 4276 C LYS G 134 -10.371 38.760 21.671 1.00 12.19 C4.0
ATOM 4277 O LYS G 134 -10.687 37.565 21.963 1.00 12.61 O5.0
ATOM 4278 CB LYS G 134 -10.991 40.459 23.577 1.00 12.67 C6.0
ATOM 4279 CG LYS G 134 -11.460 41.878 23.207 1.00 11.89 C7.0
ATOM 4280 CD LYS G 134 -12.546 41.724 22.123 1.00 13.03 C8.0
ATOM 4281 CE LYS G 134 -13.486 40.590 22.662 1.00 13.29 C9.0
ATOM 4282 NZ LYS G 134 -14.886 40.811 22.211 1.00 14.14 N10.0
ATOM 4283 N THR G 135 -10.326 39.196 20.431 1.00 11.42 N11.0
ATOM 4284 CA THR G 135 -10.708 38.370 19.282 1.00 10.06 C12.0
ATOM 4285 C THR G 135 -9.651 38.189 18.240 1.00 10.81 C13.0
ATOM 4286 O THR G 135 -9.822 37.347 17.292 1.00 11.49 O14.0
ATOM 4287 CB THR G 135 -12.014 39.048 18.734 1.00 8.76 C15.0
ATOM 4288 OG1 THR G 135 -11.706 40.293 18.084 1.00 8.88 O16.0
ATOM 4289 CG2 THR G 135 -12.892 39.271 19.990 1.00 8.73 C17.0
ATOM 4290 N GLY G 136 -8.594 38.936 18.328 1.00 9.82 N18.0
ATOM 4291 CA GLY G 136 -7.505 38.935 17.371 1.00 10.58 C19.0
ATOM 4292 C GLY G 136 -7.975 39.750 16.157 1.00 10.36 C20.0
ATOM 4293 O GLY G 136 -7.146 40.185 15.446 1.00 10.38 O21.0
ATOM 4302 N ALA G 138 -10.376 38.417 14.076 1.00 9.81 N30.0
ATOM 4303 CA ALA G 138 -10.515 37.203 13.345 1.00 9.94 C31.0
ATOM 4304 C ALA G 138 -11.622 37.267 12.360 1.00 11.98 C32.0
ATOM 4305 O ALA G 138 -11.402 37.423 11.119 1.00 13.36 O33.0
ATOM 4306 CB ALA G 138 -10.585 36.072 14.326 1.00 10.44 C34.0
ATOM 4307 N GLY G 139 -12.848 37.203 12.846 1.00 12.75 N35.0
ATOM 4308 CA GLY G 139 -13.945 37.367 11.843 1.00 13.46 C36.0
ATOM 4309 C GLY G 139 -15.058 36.458 12.270 1.00 13.84 C37.0
ATOM 4310 O GLY G 139 -15.481 36.576 13.415 1.00 13.86 O38.0
ATOM 4311 N SER G 140 -15.408 35.589 11.272 1.00 14.46 N39.0
ATOM 4312 CA SER G 140 -16.448 34.739 11.708 1.00 14.39 C40.0
ATOM 4313 C SER G 140 -16.243 33.283 11.335 1.00 14.46 C41.0
ATOM 4314 O SER G 140 -15.565 32.637 10.656 1.00 14.52 O42.0
ATOM 4315 CB SER G 140 -17.907 35.120 11.466 1.00 17.49 C43.0
ATOM 4316 OG SER G 140 -18.687 34.339 12.561 1.00 18.55 O44.0
ATOM 4317 N ARG G 141 -17.187 32.716 12.054 1.00 14.04 N45.0
ATOM 4318 CA ARG G 141 -17.738 31.578 12.370 1.00 13.12 C46.0
ATOM 4319 C ARG G 141 -18.688 30.950 11.412 1.00 14.12 C47.0
ATOM 4320 O ARG G 141 -19.818 31.496 11.332 1.00 14.62 O48.0
ATOM 4321 CB ARG G 141 -18.707 31.931 13.685 1.00 10.52 C49.0
ATOM 4322 CG ARG G 141 -17.983 32.732 14.728 1.00 7.54 C50.0
ATOM 4323 CD ARG G 141 -17.969 32.245 16.085 1.00 7.04 C51.0
ATOM 4324 NE ARG G 141 -17.912 33.046 17.247 1.00 6.96 N52.0
ATOM 4325 CZ ARG G 141 -17.844 32.857 18.548 1.00 6.97 C53.0
ATOM 4326 NH1 ARG G 141 -17.571 31.657 19.156 1.00 8.69 N54.0
ATOM 4327 NH2 ARG G 141 -18.102 33.776 19.487 1.00 6.51 N55.0
HETATM 4396 O HOH G 3 -13.984 35.893 16.884 1.00 15.96 O24.0
Cleaning up temporary files...