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HEADER ANTIMICROBIAL PEPTIDE 20-MAR-98 1PG1
TITLE PROTEGRIN 1 (PG1) FROM PORCINE LEUKOCYTES, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEGRIN-1;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA;
SOURCE 3 ORGANISM_COMMON: PIG;
SOURCE 4 ORGANISM_TAXID: 9823;
SOURCE 5 TISSUE: LEUKOCYTE
KEYWDS ANTIMICROBIAL PEPTIDE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR R.L.FAHRNER,T.DIECKMANN,S.S.L.HARWIG,R.I.LEHRER,D.EISENBERG,J.FEIGON
REVDAT 4 20-NOV-24 1PG1 1 REMARK
REVDAT 3 23-FEB-22 1PG1 1 REMARK LINK
REVDAT 2 24-FEB-09 1PG1 1 VERSN
REVDAT 1 27-MAY-98 1PG1 0
JRNL AUTH R.L.FAHRNER,T.DIECKMANN,S.S.HARWIG,R.I.LEHRER,D.EISENBERG,
JRNL AUTH 2 J.FEIGON
JRNL TITL SOLUTION STRUCTURE OF PROTEGRIN-1, A BROAD-SPECTRUM
JRNL TITL 2 ANTIMICROBIAL PEPTIDE FROM PORCINE LEUKOCYTES.
JRNL REF CHEM.BIOL. V. 3 543 1996
JRNL REFN ISSN 1074-5521
JRNL PMID 8807886
JRNL DOI 10.1016/S1074-5521(96)90145-3
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JOURNAL CITATION ABOVE.
REMARK 4
REMARK 4 1PG1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000175652.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA, X-PLOR 3.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION, LEAST
REMARK 210 GEOMETRY VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O ARG A 9 H ARG A 11 1.55
REMARK 500 HH12 ARG A 1 O ARG A 4 1.59
REMARK 500 HH11 ARG A 1 O GLY A 2 1.60
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 ARG A 10 -58.90 60.22
REMARK 500 1 ARG A 11 14.74 -146.39
REMARK 500 2 ARG A 10 -65.23 62.05
REMARK 500 2 ARG A 11 20.81 -148.11
REMARK 500 3 ARG A 10 -62.01 61.98
REMARK 500 3 ARG A 11 18.08 -147.60
REMARK 500 4 ARG A 4 139.74 68.98
REMARK 500 4 ARG A 10 -56.34 59.42
REMARK 500 4 ARG A 11 11.95 -145.66
REMARK 500 5 ARG A 10 -54.23 59.34
REMARK 500 5 ARG A 11 11.46 -146.53
REMARK 500 8 ARG A 10 -56.51 59.51
REMARK 500 8 ARG A 11 14.28 -146.37
REMARK 500 9 ARG A 4 137.44 68.65
REMARK 500 9 PHE A 12 151.00 178.51
REMARK 500 10 ARG A 10 -59.18 60.10
REMARK 500 10 ARG A 11 15.12 -144.92
REMARK 500 11 ARG A 4 150.23 66.49
REMARK 500 11 ARG A 10 -56.46 59.49
REMARK 500 11 ARG A 11 11.26 -144.41
REMARK 500 12 LEU A 5 157.02 171.01
REMARK 500 12 PHE A 12 174.18 163.77
REMARK 500 13 ARG A 10 -56.21 55.79
REMARK 500 14 ARG A 11 37.04 -145.62
REMARK 500 15 ARG A 10 -56.88 59.64
REMARK 500 15 ARG A 11 14.51 -146.85
REMARK 500 16 ARG A 10 -62.90 69.71
REMARK 500 16 ARG A 11 22.08 -170.30
REMARK 500 16 PHE A 12 175.55 173.50
REMARK 500 17 LEU A 5 168.19 179.88
REMARK 500 17 ARG A 11 22.17 81.76
REMARK 500 18 PHE A 12 -179.53 157.67
REMARK 500 19 LEU A 5 -176.48 151.14
REMARK 500 19 ARG A 11 13.17 91.53
REMARK 500 20 ARG A 10 -54.85 58.62
REMARK 500 20 ARG A 11 10.40 -143.39
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 19
DBREF 1PG1 A 1 18 UNP P32194 PG1_PIG 131 148
SEQRES 1 A 19 ARG GLY GLY ARG LEU CYS TYR CYS ARG ARG ARG PHE CYS
SEQRES 2 A 19 VAL CYS VAL GLY ARG NH2
HET NH2 A 19 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
SHEET 1 A 2 ARG A 4 ARG A 9 0
SHEET 2 A 2 PHE A 12 GLY A 17 -1 N VAL A 16 O LEU A 5
SSBOND 1 CYS A 6 CYS A 15 1555 1555 2.02
SSBOND 2 CYS A 8 CYS A 13 1555 1555 2.03
LINK C ARG A 18 N NH2 A 19 1555 1555 1.30
SITE 1 AC1 2 GLY A 17 ARG A 18
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 N ARG A 1 11.590 5.858 -7.887 1.00 0.84 N
ATOM 2 CA ARG A 1 10.382 5.358 -7.160 1.00 0.64 C
ATOM 3 C ARG A 1 10.458 5.772 -5.682 1.00 0.51 C
ATOM 4 O ARG A 1 11.532 5.946 -5.136 1.00 0.62 O
ATOM 5 CB ARG A 1 10.323 3.827 -7.261 1.00 0.62 C
ATOM 6 CG ARG A 1 8.863 3.369 -7.336 1.00 0.60 C
ATOM 7 CD ARG A 1 8.371 2.991 -5.937 1.00 0.46 C
ATOM 8 NE ARG A 1 6.897 3.240 -5.849 1.00 0.41 N
ATOM 9 CZ ARG A 1 6.291 3.334 -4.696 1.00 0.34 C
ATOM 10 NH1 ARG A 1 6.953 3.314 -3.582 1.00 0.36 N
ATOM 11 NH2 ARG A 1 5.003 3.457 -4.657 1.00 0.38 N
ATOM 12 H1 ARG A 1 12.450 5.523 -7.407 1.00 0.89 H
ATOM 13 H2 ARG A 1 11.581 5.502 -8.864 1.00 1.01 H
ATOM 14 H3 ARG A 1 11.583 6.899 -7.898 1.00 0.96 H
ATOM 15 HA ARG A 1 9.493 5.782 -7.605 1.00 0.70 H
ATOM 16 HB2 ARG A 1 10.847 3.504 -8.150 1.00 0.74 H
ATOM 17 HB3 ARG A 1 10.791 3.390 -6.390 1.00 0.60 H
ATOM 18 HG2 ARG A 1 8.252 4.169 -7.730 1.00 0.66 H
ATOM 19 HG3 ARG A 1 8.789 2.508 -7.985 1.00 0.73 H
ATOM 20 HD2 ARG A 1 8.574 1.944 -5.755 1.00 0.54 H
ATOM 21 HD3 ARG A 1 8.886 3.591 -5.202 1.00 0.44 H
ATOM 22 HE ARG A 1 6.375 3.329 -6.673 1.00 0.51 H
ATOM 23 HH11 ARG A 1 7.954 3.229 -3.583 1.00 0.40 H
ATOM 24 HH12 ARG A 1 6.456 3.388 -2.711 1.00 0.42 H
ATOM 25 HH21 ARG A 1 4.475 3.480 -5.504 1.00 0.47 H
ATOM 26 HH22 ARG A 1 4.540 3.538 -3.771 1.00 0.41 H
ATOM 27 N GLY A 2 9.325 5.929 -5.034 1.00 0.42 N
ATOM 28 CA GLY A 2 9.324 6.330 -3.587 1.00 0.42 C
ATOM 29 C GLY A 2 9.270 5.085 -2.688 1.00 0.31 C
ATOM 30 O GLY A 2 9.313 3.958 -3.159 1.00 0.34 O
ATOM 31 H GLY A 2 8.472 5.782 -5.498 1.00 0.49 H
ATOM 32 HA2 GLY A 2 10.223 6.890 -3.370 1.00 0.51 H
ATOM 33 HA3 GLY A 2 8.461 6.948 -3.387 1.00 0.52 H
ATOM 34 N GLY A 3 9.176 5.281 -1.393 1.00 0.33 N
ATOM 35 CA GLY A 3 9.121 4.120 -0.443 1.00 0.35 C
ATOM 36 C GLY A 3 7.665 3.719 -0.158 1.00 0.31 C
ATOM 37 O GLY A 3 7.361 2.552 -0.008 1.00 0.55 O
ATOM 38 H GLY A 3 9.145 6.197 -1.043 1.00 0.44 H
ATOM 39 HA2 GLY A 3 9.643 3.278 -0.877 1.00 0.36 H
ATOM 40 HA3 GLY A 3 9.599 4.394 0.485 1.00 0.48 H
ATOM 41 N ARG A 4 6.768 4.676 -0.066 1.00 0.28 N
ATOM 42 CA ARG A 4 5.332 4.361 0.224 1.00 0.24 C
ATOM 43 C ARG A 4 4.720 3.498 -0.891 1.00 0.23 C
ATOM 44 O ARG A 4 5.037 3.656 -2.057 1.00 0.26 O
ATOM 45 CB ARG A 4 4.538 5.672 0.334 1.00 0.28 C
ATOM 46 CG ARG A 4 5.038 6.498 1.528 1.00 0.31 C
ATOM 47 CD ARG A 4 4.952 5.670 2.814 1.00 0.29 C
ATOM 48 NE ARG A 4 3.738 4.791 2.769 1.00 0.26 N
ATOM 49 CZ ARG A 4 2.578 5.212 3.200 1.00 0.33 C
ATOM 50 NH1 ARG A 4 2.412 6.445 3.575 1.00 0.42 N
ATOM 51 NH2 ARG A 4 1.583 4.386 3.254 1.00 0.39 N
ATOM 52 H ARG A 4 7.039 5.605 -0.173 1.00 0.49 H
ATOM 53 HA ARG A 4 5.273 3.828 1.156 1.00 0.23 H
ATOM 54 HB2 ARG A 4 4.664 6.244 -0.575 1.00 0.33 H
ATOM 55 HB3 ARG A 4 3.491 5.446 0.470 1.00 0.29 H
ATOM 56 HG2 ARG A 4 6.064 6.791 1.357 1.00 0.36 H
ATOM 57 HG3 ARG A 4 4.426 7.383 1.631 1.00 0.37 H
ATOM 58 HD2 ARG A 4 5.838 5.057 2.903 1.00 0.32 H
ATOM 59 HD3 ARG A 4 4.892 6.331 3.667 1.00 0.35 H
ATOM 60 HE ARG A 4 3.812 3.882 2.394 1.00 0.27 H
ATOM 61 HH11 ARG A 4 3.173 7.087 3.537 1.00 0.44 H
ATOM 62 HH12 ARG A 4 1.521 6.753 3.903 1.00 0.52 H
ATOM 63 HH21 ARG A 4 1.708 3.439 2.966 1.00 0.41 H
ATOM 64 HH22 ARG A 4 0.695 4.694 3.589 1.00 0.49 H
ATOM 65 N LEU A 5 3.835 2.592 -0.539 1.00 0.25 N
ATOM 66 CA LEU A 5 3.187 1.723 -1.574 1.00 0.27 C
ATOM 67 C LEU A 5 1.781 1.303 -1.128 1.00 0.23 C
ATOM 68 O LEU A 5 1.492 1.163 0.050 1.00 0.24 O
ATOM 69 CB LEU A 5 4.044 0.482 -1.841 1.00 0.30 C
ATOM 70 CG LEU A 5 4.268 -0.271 -0.542 1.00 0.28 C
ATOM 71 CD1 LEU A 5 4.484 -1.753 -0.846 1.00 0.34 C
ATOM 72 CD2 LEU A 5 5.504 0.278 0.171 1.00 0.33 C
ATOM 73 H LEU A 5 3.591 2.488 0.409 1.00 0.27 H
ATOM 74 HA LEU A 5 3.094 2.274 -2.483 1.00 0.31 H
ATOM 75 HB2 LEU A 5 3.533 -0.161 -2.545 1.00 0.33 H
ATOM 76 HB3 LEU A 5 4.995 0.781 -2.251 1.00 0.35 H
ATOM 77 HG LEU A 5 3.396 -0.143 0.084 1.00 0.24 H
ATOM 78 DD11 LEU A 5 3.681 -2.115 -1.470 1.00 0.37 D
ATOM 79 DD12 LEU A 5 5.425 -1.879 -1.361 1.00 0.50 D
ATOM 80 DD13 LEU A 5 4.503 -2.312 0.078 1.00 0.41 D
ATOM 81 DD21 LEU A 5 6.207 0.648 -0.560 1.00 0.55 D
ATOM 82 DD22 LEU A 5 5.211 1.083 0.829 1.00 0.52 D
ATOM 83 DD23 LEU A 5 5.965 -0.510 0.748 1.00 0.51 D
ATOM 84 N CYS A 6 0.910 1.102 -2.083 1.00 0.25 N
ATOM 85 CA CYS A 6 -0.494 0.686 -1.784 1.00 0.23 C
ATOM 86 C CYS A 6 -0.887 -0.423 -2.763 1.00 0.25 C
ATOM 87 O CYS A 6 -0.820 -0.251 -3.966 1.00 0.31 O
ATOM 88 CB CYS A 6 -1.433 1.886 -1.959 1.00 0.26 C
ATOM 89 SG CYS A 6 -2.576 1.987 -0.560 1.00 0.26 S
ATOM 90 H CYS A 6 1.187 1.222 -3.016 1.00 0.30 H
ATOM 91 HA CYS A 6 -0.554 0.310 -0.770 1.00 0.21 H
ATOM 92 HB2 CYS A 6 -0.850 2.794 -2.010 1.00 0.28 H
ATOM 93 HB3 CYS A 6 -1.996 1.772 -2.875 1.00 0.31 H
ATOM 94 N TYR A 7 -1.261 -1.565 -2.258 1.00 0.23 N
ATOM 95 CA TYR A 7 -1.622 -2.710 -3.159 1.00 0.26 C
ATOM 96 C TYR A 7 -3.006 -3.269 -2.817 1.00 0.21 C
ATOM 97 O TYR A 7 -3.360 -3.418 -1.661 1.00 0.18 O
ATOM 98 CB TYR A 7 -0.584 -3.832 -3.002 1.00 0.29 C
ATOM 99 CG TYR A 7 0.013 -3.779 -1.620 1.00 0.26 C
ATOM 100 CD1 TYR A 7 1.142 -2.992 -1.379 1.00 0.29 C
ATOM 101 CD2 TYR A 7 -0.575 -4.498 -0.579 1.00 0.30 C
ATOM 102 CE1 TYR A 7 1.685 -2.928 -0.095 1.00 0.28 C
ATOM 103 CE2 TYR A 7 -0.032 -4.434 0.706 1.00 0.32 C
ATOM 104 CZ TYR A 7 1.098 -3.649 0.950 1.00 0.28 C
ATOM 105 OH TYR A 7 1.634 -3.589 2.218 1.00 0.33 O
ATOM 106 H TYR A 7 -1.276 -1.681 -1.282 1.00 0.22 H
ATOM 107 HA TYR A 7 -1.621 -2.370 -4.184 1.00 0.30 H
ATOM 108 HB2 TYR A 7 -1.065 -4.789 -3.145 1.00 0.32 H
ATOM 109 HB3 TYR A 7 0.197 -3.707 -3.734 1.00 0.35 H
ATOM 110 HD1 TYR A 7 1.595 -2.436 -2.185 1.00 0.36 H
ATOM 111 HD2 TYR A 7 -1.448 -5.105 -0.767 1.00 0.36 H
ATOM 112 HE1 TYR A 7 2.553 -2.316 0.090 1.00 0.33 H
ATOM 113 HE2 TYR A 7 -0.488 -4.985 1.508 1.00 0.41 H
ATOM 114 HH TYR A 7 0.971 -3.214 2.804 1.00 0.34 H
ATOM 115 N CYS A 8 -3.766 -3.615 -3.827 1.00 0.22 N
ATOM 116 CA CYS A 8 -5.124 -4.210 -3.605 1.00 0.20 C
ATOM 117 C CYS A 8 -4.960 -5.721 -3.497 1.00 0.20 C
ATOM 118 O CYS A 8 -4.789 -6.416 -4.481 1.00 0.27 O
ATOM 119 CB CYS A 8 -6.060 -3.835 -4.760 1.00 0.25 C
ATOM 120 SG CYS A 8 -7.128 -2.465 -4.231 1.00 0.31 S
ATOM 121 H CYS A 8 -3.426 -3.507 -4.738 1.00 0.27 H
ATOM 122 HA CYS A 8 -5.536 -3.849 -2.685 1.00 0.18 H
ATOM 123 HB2 CYS A 8 -5.477 -3.529 -5.616 1.00 0.30 H
ATOM 124 HB3 CYS A 8 -6.671 -4.686 -5.024 1.00 0.25 H
ATOM 125 N ARG A 9 -4.977 -6.222 -2.288 1.00 0.16 N
ATOM 126 CA ARG A 9 -4.783 -7.678 -2.072 1.00 0.19 C
ATOM 127 C ARG A 9 -6.130 -8.395 -1.984 1.00 0.18 C
ATOM 128 O ARG A 9 -6.856 -8.273 -1.012 1.00 0.19 O
ATOM 129 CB ARG A 9 -3.986 -7.895 -0.780 1.00 0.21 C
ATOM 130 CG ARG A 9 -2.490 -7.755 -1.074 1.00 0.43 C
ATOM 131 CD ARG A 9 -1.681 -8.207 0.145 1.00 0.39 C
ATOM 132 NE ARG A 9 -0.255 -7.786 -0.029 1.00 0.45 N
ATOM 133 CZ ARG A 9 0.673 -8.152 0.820 1.00 0.48 C
ATOM 134 NH1 ARG A 9 0.408 -8.982 1.787 1.00 0.53 N
ATOM 135 NH2 ARG A 9 1.873 -7.675 0.699 1.00 0.73 N
ATOM 136 H ARG A 9 -5.101 -5.626 -1.512 1.00 0.17 H
ATOM 137 HA ARG A 9 -4.222 -8.086 -2.901 1.00 0.24 H
ATOM 138 HB2 ARG A 9 -4.281 -7.156 -0.048 1.00 0.36 H
ATOM 139 HB3 ARG A 9 -4.186 -8.884 -0.394 1.00 0.32 H
ATOM 140 HG2 ARG A 9 -2.231 -8.369 -1.925 1.00 0.72 H
ATOM 141 HG3 ARG A 9 -2.261 -6.724 -1.292 1.00 0.69 H
ATOM 142 HD2 ARG A 9 -2.090 -7.751 1.037 1.00 0.57 H
ATOM 143 HD3 ARG A 9 -1.736 -9.283 0.231 1.00 0.65 H
ATOM 144 HE ARG A 9 -0.008 -7.229 -0.797 1.00 0.63 H
ATOM 145 HH11 ARG A 9 -0.511 -9.351 1.893 1.00 0.65 H
ATOM 146 HH12 ARG A 9 1.127 -9.252 2.425 1.00 0.64 H
ATOM 147 HH21 ARG A 9 2.085 -7.033 -0.036 1.00 0.96 H
ATOM 148 HH22 ARG A 9 2.588 -7.950 1.340 1.00 0.77 H
ATOM 149 N ARG A 10 -6.447 -9.143 -3.011 1.00 0.23 N
ATOM 150 CA ARG A 10 -7.720 -9.935 -3.079 1.00 0.27 C
ATOM 151 C ARG A 10 -8.953 -9.043 -2.991 1.00 0.21 C
ATOM 152 O ARG A 10 -9.804 -9.058 -3.866 1.00 0.26 O
ATOM 153 CB ARG A 10 -7.749 -10.967 -1.942 1.00 0.35 C
ATOM 154 CG ARG A 10 -8.518 -12.216 -2.399 1.00 0.57 C
ATOM 155 CD ARG A 10 -10.023 -12.004 -2.195 1.00 0.63 C
ATOM 156 NE ARG A 10 -10.632 -11.472 -3.460 1.00 0.50 N
ATOM 157 CZ ARG A 10 -11.115 -12.269 -4.375 1.00 0.50 C
ATOM 158 NH1 ARG A 10 -10.979 -13.559 -4.283 1.00 0.66 N
ATOM 159 NH2 ARG A 10 -11.748 -11.763 -5.390 1.00 0.70 N
ATOM 160 H ARG A 10 -5.828 -9.188 -3.754 1.00 0.29 H
ATOM 161 HA ARG A 10 -7.751 -10.455 -4.012 1.00 0.35 H
ATOM 162 HB2 ARG A 10 -6.736 -11.241 -1.682 1.00 0.47 H
ATOM 163 HB3 ARG A 10 -8.238 -10.540 -1.079 1.00 0.39 H
ATOM 164 HG2 ARG A 10 -8.317 -12.400 -3.445 1.00 0.66 H
ATOM 165 HG3 ARG A 10 -8.195 -13.068 -1.817 1.00 0.75 H
ATOM 166 HD2 ARG A 10 -10.490 -12.942 -1.931 1.00 0.87 H
ATOM 167 HD3 ARG A 10 -10.179 -11.293 -1.396 1.00 0.75 H
ATOM 168 HE ARG A 10 -10.656 -10.499 -3.612 1.00 0.67 H
ATOM 169 HH11 ARG A 10 -10.498 -13.960 -3.509 1.00 0.58 H
ATOM 170 HH12 ARG A 10 -11.357 -14.151 -4.991 1.00 0.97 H
ATOM 171 HH21 ARG A 10 -11.860 -10.773 -5.464 1.00 0.70 H
ATOM 172 HH22 ARG A 10 -12.122 -12.360 -6.097 1.00 0.97 H
ATOM 173 N ARG A 11 -9.079 -8.309 -1.934 1.00 0.19 N
ATOM 174 CA ARG A 11 -10.270 -7.447 -1.758 1.00 0.26 C
ATOM 175 C ARG A 11 -9.915 -6.149 -1.011 1.00 0.22 C
ATOM 176 O ARG A 11 -10.804 -5.444 -0.555 1.00 0.27 O
ATOM 177 CB ARG A 11 -11.310 -8.246 -0.965 1.00 0.40 C
ATOM 178 CG ARG A 11 -12.699 -7.634 -1.148 1.00 0.50 C
ATOM 179 CD ARG A 11 -13.309 -7.372 0.226 1.00 0.53 C
ATOM 180 NE ARG A 11 -12.801 -6.066 0.746 1.00 0.37 N
ATOM 181 CZ ARG A 11 -13.319 -5.510 1.807 1.00 0.43 C
ATOM 182 NH1 ARG A 11 -14.225 -6.126 2.508 1.00 0.52 N
ATOM 183 NH2 ARG A 11 -12.926 -4.327 2.164 1.00 0.58 N
ATOM 184 H ARG A 11 -8.392 -8.350 -1.237 1.00 0.21 H
ATOM 185 HA ARG A 11 -10.675 -7.198 -2.723 1.00 0.32 H
ATOM 186 HB2 ARG A 11 -11.320 -9.267 -1.319 1.00 0.49 H
ATOM 187 HB3 ARG A 11 -11.048 -8.233 0.082 1.00 0.42 H
ATOM 188 HG2 ARG A 11 -12.618 -6.703 -1.694 1.00 0.47 H
ATOM 189 HG3 ARG A 11 -13.329 -8.320 -1.695 1.00 0.64 H
ATOM 190 HD2 ARG A 11 -14.384 -7.338 0.141 1.00 0.67 H
ATOM 191 HD3 ARG A 11 -13.021 -8.166 0.901 1.00 0.65 H
ATOM 192 HE ARG A 11 -12.049 -5.619 0.278 1.00 0.34 H
ATOM 193 HH11 ARG A 11 -14.533 -7.035 2.239 1.00 0.56 H
ATOM 194 HH12 ARG A 11 -14.614 -5.690 3.316 1.00 0.64 H
ATOM 195 HH21 ARG A 11 -12.233 -3.849 1.628 1.00 0.59 H
ATOM 196 HH22 ARG A 11 -13.315 -3.894 2.975 1.00 0.75 H
ATOM 197 N PHE A 12 -8.648 -5.792 -0.878 1.00 0.17 N
ATOM 198 CA PHE A 12 -8.357 -4.511 -0.155 1.00 0.17 C
ATOM 199 C PHE A 12 -7.030 -3.887 -0.579 1.00 0.13 C
ATOM 200 O PHE A 12 -6.006 -4.541 -0.678 1.00 0.13 O
ATOM 201 CB PHE A 12 -8.386 -4.726 1.375 1.00 0.22 C
ATOM 202 CG PHE A 12 -7.154 -5.461 1.874 1.00 0.22 C
ATOM 203 CD1 PHE A 12 -6.854 -6.735 1.389 1.00 0.24 C
ATOM 204 CD2 PHE A 12 -6.335 -4.880 2.854 1.00 0.28 C
ATOM 205 CE1 PHE A 12 -5.745 -7.433 1.873 1.00 0.29 C
ATOM 206 CE2 PHE A 12 -5.221 -5.577 3.335 1.00 0.33 C
ATOM 207 CZ PHE A 12 -4.926 -6.854 2.847 1.00 0.32 C
ATOM 208 H PHE A 12 -7.910 -6.348 -1.255 1.00 0.17 H
ATOM 209 HA PHE A 12 -9.141 -3.810 -0.404 1.00 0.22 H
ATOM 210 HB2 PHE A 12 -8.440 -3.765 1.864 1.00 0.27 H
ATOM 211 HB3 PHE A 12 -9.266 -5.298 1.631 1.00 0.26 H
ATOM 212 HD1 PHE A 12 -7.474 -7.180 0.636 1.00 0.27 H
ATOM 213 HD2 PHE A 12 -6.550 -3.889 3.230 1.00 0.33 H
ATOM 214 HE1 PHE A 12 -5.521 -8.418 1.492 1.00 0.35 H
ATOM 215 HE2 PHE A 12 -4.590 -5.129 4.086 1.00 0.41 H
ATOM 216 HZ PHE A 12 -4.069 -7.392 3.223 1.00 0.38 H
ATOM 217 N CYS A 13 -7.060 -2.596 -0.790 1.00 0.16 N
ATOM 218 CA CYS A 13 -5.828 -1.845 -1.164 1.00 0.16 C
ATOM 219 C CYS A 13 -5.153 -1.447 0.136 1.00 0.15 C
ATOM 220 O CYS A 13 -5.699 -0.714 0.940 1.00 0.20 O
ATOM 221 CB CYS A 13 -6.185 -0.613 -2.003 1.00 0.24 C
ATOM 222 SG CYS A 13 -5.850 -0.969 -3.751 1.00 0.32 S
ATOM 223 H CYS A 13 -7.901 -2.118 -0.670 1.00 0.20 H
ATOM 224 HA CYS A 13 -5.166 -2.479 -1.715 1.00 0.17 H
ATOM 225 HB2 CYS A 13 -7.232 -0.379 -1.875 1.00 0.28 H
ATOM 226 HB3 CYS A 13 -5.586 0.228 -1.685 1.00 0.24 H
ATOM 227 N VAL A 14 -3.987 -1.977 0.369 1.00 0.14 N
ATOM 228 CA VAL A 14 -3.277 -1.704 1.643 1.00 0.15 C
ATOM 229 C VAL A 14 -2.146 -0.728 1.399 1.00 0.16 C
ATOM 230 O VAL A 14 -1.349 -0.897 0.497 1.00 0.19 O
ATOM 231 CB VAL A 14 -2.715 -3.005 2.217 1.00 0.18 C
ATOM 232 CG1 VAL A 14 -2.947 -3.034 3.724 1.00 0.28 C
ATOM 233 CG2 VAL A 14 -3.392 -4.212 1.566 1.00 0.20 C
ATOM 234 H VAL A 14 -3.585 -2.588 -0.292 1.00 0.17 H
ATOM 235 HA VAL A 14 -3.971 -1.274 2.351 1.00 0.16 H
ATOM 236 HB VAL A 14 -1.666 -3.045 2.025 1.00 0.26 H
ATOM 237 HG11 VAL A 14 -4.006 -2.962 3.926 1.00 0.48 H
ATOM 238 HG12 VAL A 14 -2.564 -3.958 4.129 1.00 0.52 H
ATOM 239 HG13 VAL A 14 -2.435 -2.200 4.183 1.00 0.50 H
ATOM 240 HG21 VAL A 14 -4.460 -4.055 1.541 1.00 0.26 H
ATOM 241 HG22 VAL A 14 -3.023 -4.328 0.557 1.00 0.28 H
ATOM 242 HG23 VAL A 14 -3.170 -5.100 2.135 1.00 0.27 H
ATOM 243 N CYS A 15 -2.083 0.291 2.202 1.00 0.17 N
ATOM 244 CA CYS A 15 -1.019 1.319 2.046 1.00 0.18 C
ATOM 245 C CYS A 15 0.077 1.107 3.090 1.00 0.19 C
ATOM 246 O CYS A 15 -0.177 1.082 4.279 1.00 0.27 O
ATOM 247 CB CYS A 15 -1.645 2.697 2.219 1.00 0.22 C
ATOM 248 SG CYS A 15 -1.828 3.469 0.594 1.00 0.27 S
ATOM 249 H CYS A 15 -2.748 0.381 2.915 1.00 0.20 H
ATOM 250 HA CYS A 15 -0.590 1.244 1.058 1.00 0.19 H
ATOM 251 HB2 CYS A 15 -2.617 2.590 2.681 1.00 0.26 H
ATOM 252 HB3 CYS A 15 -1.012 3.305 2.843 1.00 0.24 H
ATOM 253 N VAL A 16 1.295 0.954 2.643 1.00 0.18 N
ATOM 254 CA VAL A 16 2.436 0.735 3.586 1.00 0.20 C
ATOM 255 C VAL A 16 3.638 1.605 3.159 1.00 0.19 C
ATOM 256 O VAL A 16 3.619 2.242 2.113 1.00 0.24 O
ATOM 257 CB VAL A 16 2.798 -0.759 3.557 1.00 0.24 C
ATOM 258 CG1 VAL A 16 3.291 -1.146 2.165 1.00 0.29 C
ATOM 259 CG2 VAL A 16 3.887 -1.067 4.582 1.00 0.33 C
ATOM 260 H VAL A 16 1.463 0.978 1.671 1.00 0.22 H
ATOM 261 HA VAL A 16 2.134 1.011 4.587 1.00 0.24 H
ATOM 262 HB VAL A 16 1.916 -1.336 3.790 1.00 0.32 H
ATOM 263 HG11 VAL A 16 2.519 -0.934 1.439 1.00 0.36 H
ATOM 264 HG12 VAL A 16 4.176 -0.577 1.926 1.00 0.38 H
ATOM 265 HG13 VAL A 16 3.524 -2.200 2.145 1.00 0.40 H
ATOM 266 HG21 VAL A 16 3.706 -0.498 5.482 1.00 0.35 H
ATOM 267 HG22 VAL A 16 3.871 -2.122 4.814 1.00 0.46 H
ATOM 268 HG23 VAL A 16 4.850 -0.803 4.173 1.00 0.42 H
ATOM 269 N GLY A 17 4.674 1.659 3.964 1.00 0.25 N
ATOM 270 CA GLY A 17 5.870 2.496 3.613 1.00 0.28 C
ATOM 271 C GLY A 17 7.156 1.711 3.883 1.00 0.29 C
ATOM 272 O GLY A 17 7.611 1.623 5.007 1.00 0.51 O
ATOM 273 H GLY A 17 4.662 1.158 4.806 1.00 0.33 H
ATOM 274 HA2 GLY A 17 5.828 2.761 2.566 1.00 0.31 H
ATOM 275 HA3 GLY A 17 5.870 3.394 4.212 1.00 0.33 H
ATOM 276 N ARG A 18 7.746 1.145 2.858 1.00 0.39 N
ATOM 277 CA ARG A 18 9.007 0.361 3.045 1.00 0.42 C
ATOM 278 C ARG A 18 10.228 1.250 2.733 1.00 0.57 C
ATOM 279 O ARG A 18 11.172 0.822 2.093 1.00 0.58 O
ATOM 280 CB ARG A 18 8.981 -0.856 2.110 1.00 0.50 C
ATOM 281 CG ARG A 18 9.732 -2.022 2.762 1.00 0.52 C
ATOM 282 CD ARG A 18 10.792 -2.559 1.796 1.00 0.53 C
ATOM 283 NE ARG A 18 11.822 -1.501 1.552 1.00 0.63 N
ATOM 284 CZ ARG A 18 13.004 -1.801 1.084 1.00 0.86 C
ATOM 285 NH1 ARG A 18 13.288 -3.019 0.722 1.00 0.95 N
ATOM 286 NH2 ARG A 18 13.900 -0.871 0.975 1.00 1.08 N
ATOM 287 H ARG A 18 7.359 1.237 1.961 1.00 0.59 H
ATOM 288 HA ARG A 18 9.068 0.023 4.070 1.00 0.45 H
ATOM 289 HB2 ARG A 18 7.955 -1.144 1.928 1.00 0.67 H
ATOM 290 HB3 ARG A 18 9.454 -0.602 1.173 1.00 0.61 H
ATOM 291 HG2 ARG A 18 10.212 -1.680 3.668 1.00 0.62 H
ATOM 292 HG3 ARG A 18 9.034 -2.811 3.001 1.00 0.71 H
ATOM 293 HD2 ARG A 18 11.262 -3.430 2.230 1.00 0.61 H
ATOM 294 HD3 ARG A 18 10.322 -2.830 0.861 1.00 0.64 H
ATOM 295 HE ARG A 18 11.603 -0.553 1.746 1.00 0.65 H
ATOM 296 HH11 ARG A 18 12.600 -3.735 0.799 1.00 0.85 H
ATOM 297 HH12 ARG A 18 14.195 -3.238 0.370 1.00 1.18 H
ATOM 298 HH21 ARG A 18 13.683 0.065 1.249 1.00 1.06 H
ATOM 299 HH22 ARG A 18 14.805 -1.087 0.616 1.00 1.31 H
HETATM 300 N NH2 A 19 10.253 2.479 3.164 1.00 1.11 N
HETATM 301 HN1 NH2 A 19 9.500 2.834 3.679 1.00 1.44 H
HETATM 302 HN2 NH2 A 19 11.026 3.047 2.971 1.00 1.27 H
TER 303 NH2 A 19
ENDMDL
MODEL 2
ATOM 1 N ARG A 1 12.474 9.180 6.349 1.00 0.82 N
ATOM 2 CA ARG A 1 12.643 8.853 4.896 1.00 0.70 C
ATOM 3 C ARG A 1 11.269 8.575 4.258 1.00 0.61 C
ATOM 4 O ARG A 1 10.306 8.289 4.945 1.00 0.67 O
ATOM 5 CB ARG A 1 13.549 7.620 4.743 1.00 0.64 C
ATOM 6 CG ARG A 1 12.895 6.389 5.391 1.00 0.57 C
ATOM 7 CD ARG A 1 12.980 5.203 4.427 1.00 0.60 C
ATOM 8 NE ARG A 1 11.641 4.977 3.794 1.00 0.43 N
ATOM 9 CZ ARG A 1 10.760 4.173 4.327 1.00 0.31 C
ATOM 10 NH1 ARG A 1 10.963 3.635 5.494 1.00 0.41 N
ATOM 11 NH2 ARG A 1 9.671 3.902 3.680 1.00 0.31 N
ATOM 12 H1 ARG A 1 11.991 8.393 6.831 1.00 1.07 H
ATOM 13 H2 ARG A 1 13.407 9.331 6.782 1.00 1.33 H
ATOM 14 H3 ARG A 1 11.906 10.048 6.446 1.00 1.22 H
ATOM 15 HA ARG A 1 13.101 9.693 4.394 1.00 0.82 H
ATOM 16 HB2 ARG A 1 13.713 7.427 3.693 1.00 0.68 H
ATOM 17 HB3 ARG A 1 14.498 7.812 5.223 1.00 0.76 H
ATOM 18 HG2 ARG A 1 13.413 6.146 6.307 1.00 0.70 H
ATOM 19 HG3 ARG A 1 11.857 6.599 5.608 1.00 0.55 H
ATOM 20 HD2 ARG A 1 13.709 5.417 3.656 1.00 0.76 H
ATOM 21 HD3 ARG A 1 13.284 4.318 4.966 1.00 0.71 H
ATOM 22 HE ARG A 1 11.408 5.460 2.958 1.00 0.50 H
ATOM 23 HH11 ARG A 1 11.797 3.835 6.000 1.00 0.52 H
ATOM 24 HH12 ARG A 1 10.281 3.018 5.882 1.00 0.48 H
ATOM 25 HH21 ARG A 1 9.509 4.307 2.778 1.00 0.39 H
ATOM 26 HH22 ARG A 1 8.983 3.284 4.085 1.00 0.38 H
ATOM 27 N GLY A 2 11.179 8.662 2.949 1.00 0.63 N
ATOM 28 CA GLY A 2 9.874 8.410 2.254 1.00 0.60 C
ATOM 29 C GLY A 2 9.900 7.048 1.543 1.00 0.51 C
ATOM 30 O GLY A 2 10.620 6.142 1.931 1.00 0.53 O
ATOM 31 H GLY A 2 11.971 8.898 2.421 1.00 0.75 H
ATOM 32 HA2 GLY A 2 9.074 8.416 2.982 1.00 0.64 H
ATOM 33 HA3 GLY A 2 9.700 9.186 1.526 1.00 0.71 H
ATOM 34 N GLY A 3 9.108 6.898 0.507 1.00 0.55 N
ATOM 35 CA GLY A 3 9.065 5.598 -0.240 1.00 0.55 C
ATOM 36 C GLY A 3 7.984 4.693 0.360 1.00 0.40 C
ATOM 37 O GLY A 3 8.235 3.957 1.300 1.00 0.46 O
ATOM 38 H GLY A 3 8.536 7.642 0.222 1.00 0.67 H
ATOM 39 HA2 GLY A 3 8.841 5.789 -1.281 1.00 0.67 H
ATOM 40 HA3 GLY A 3 10.023 5.107 -0.163 1.00 0.60 H
ATOM 41 N ARG A 4 6.784 4.746 -0.176 1.00 0.31 N
ATOM 42 CA ARG A 4 5.669 3.894 0.354 1.00 0.25 C
ATOM 43 C ARG A 4 4.909 3.229 -0.810 1.00 0.21 C
ATOM 44 O ARG A 4 5.015 3.645 -1.951 1.00 0.28 O
ATOM 45 CB ARG A 4 4.709 4.772 1.174 1.00 0.35 C
ATOM 46 CG ARG A 4 3.994 5.774 0.259 1.00 0.46 C
ATOM 47 CD ARG A 4 2.569 5.289 -0.008 1.00 0.56 C
ATOM 48 NE ARG A 4 2.460 4.835 -1.429 1.00 0.38 N
ATOM 49 CZ ARG A 4 2.224 5.685 -2.397 1.00 0.58 C
ATOM 50 NH1 ARG A 4 2.202 6.964 -2.170 1.00 0.93 N
ATOM 51 NH2 ARG A 4 1.993 5.245 -3.596 1.00 0.57 N
ATOM 52 H ARG A 4 6.614 5.349 -0.930 1.00 0.38 H
ATOM 53 HA ARG A 4 6.080 3.125 0.993 1.00 0.28 H
ATOM 54 HB2 ARG A 4 3.977 4.144 1.660 1.00 0.43 H
ATOM 55 HB3 ARG A 4 5.271 5.313 1.922 1.00 0.37 H
ATOM 56 HG2 ARG A 4 3.962 6.742 0.740 1.00 0.60 H
ATOM 57 HG3 ARG A 4 4.525 5.855 -0.678 1.00 0.43 H
ATOM 58 HD2 ARG A 4 2.340 4.463 0.653 1.00 0.66 H
ATOM 59 HD3 ARG A 4 1.870 6.095 0.172 1.00 0.81 H
ATOM 60 HE ARG A 4 2.587 3.885 -1.639 1.00 0.31 H
ATOM 61 HH11 ARG A 4 2.370 7.312 -1.252 1.00 1.01 H
ATOM 62 HH12 ARG A 4 2.021 7.601 -2.916 1.00 1.15 H
ATOM 63 HH21 ARG A 4 1.995 4.264 -3.778 1.00 0.44 H
ATOM 64 HH22 ARG A 4 1.811 5.889 -4.337 1.00 0.80 H
ATOM 65 N LEU A 5 4.138 2.198 -0.529 1.00 0.22 N
ATOM 66 CA LEU A 5 3.372 1.505 -1.619 1.00 0.21 C
ATOM 67 C LEU A 5 1.934 1.190 -1.177 1.00 0.20 C
ATOM 68 O LEU A 5 1.651 0.972 -0.010 1.00 0.27 O
ATOM 69 CB LEU A 5 4.080 0.207 -2.018 1.00 0.25 C
ATOM 70 CG LEU A 5 4.217 -0.690 -0.800 1.00 0.29 C
ATOM 71 CD1 LEU A 5 4.292 -2.150 -1.247 1.00 0.38 C
ATOM 72 CD2 LEU A 5 5.490 -0.336 -0.030 1.00 0.33 C
ATOM 73 H LEU A 5 4.065 1.883 0.403 1.00 0.30 H
ATOM 74 HA LEU A 5 3.329 2.145 -2.476 1.00 0.23 H
ATOM 75 HB2 LEU A 5 3.495 -0.302 -2.772 1.00 0.28 H
ATOM 76 HB3 LEU A 5 5.057 0.433 -2.411 1.00 0.29 H
ATOM 77 HG LEU A 5 3.355 -0.538 -0.168 1.00 0.31 H
ATOM 78 DD11 LEU A 5 3.496 -2.355 -1.946 1.00 0.41 D
ATOM 79 DD12 LEU A 5 5.245 -2.330 -1.724 1.00 0.50 D
ATOM 80 DD13 LEU A 5 4.193 -2.796 -0.387 1.00 0.49 D
ATOM 81 DD21 LEU A 5 6.088 0.346 -0.614 1.00 1.01 D
ATOM 82 DD22 LEU A 5 5.224 0.127 0.906 1.00 0.92 D
ATOM 83 DD23 LEU A 5 6.057 -1.235 0.162 1.00 1.08 D
ATOM 84 N CYS A 6 1.033 1.153 -2.129 1.00 0.21 N
ATOM 85 CA CYS A 6 -0.404 0.842 -1.845 1.00 0.22 C
ATOM 86 C CYS A 6 -0.870 -0.200 -2.869 1.00 0.23 C
ATOM 87 O CYS A 6 -0.728 -0.003 -4.062 1.00 0.27 O
ATOM 88 CB CYS A 6 -1.241 2.124 -1.982 1.00 0.27 C
ATOM 89 SG CYS A 6 -2.426 2.250 -0.619 1.00 0.30 S
ATOM 90 H CYS A 6 1.309 1.322 -3.054 1.00 0.27 H
ATOM 91 HA CYS A 6 -0.500 0.435 -0.846 1.00 0.22 H
ATOM 92 HB2 CYS A 6 -0.585 2.982 -1.962 1.00 0.30 H
ATOM 93 HB3 CYS A 6 -1.774 2.105 -2.921 1.00 0.30 H
ATOM 94 N TYR A 7 -1.385 -1.318 -2.419 1.00 0.24 N
ATOM 95 CA TYR A 7 -1.812 -2.384 -3.381 1.00 0.27 C
ATOM 96 C TYR A 7 -3.106 -3.064 -2.929 1.00 0.22 C
ATOM 97 O TYR A 7 -3.376 -3.196 -1.750 1.00 0.29 O
ATOM 98 CB TYR A 7 -0.709 -3.451 -3.505 1.00 0.33 C
ATOM 99 CG TYR A 7 0.019 -3.660 -2.193 1.00 0.30 C
ATOM 100 CD1 TYR A 7 0.837 -2.652 -1.668 1.00 0.28 C
ATOM 101 CD2 TYR A 7 -0.116 -4.874 -1.510 1.00 0.34 C
ATOM 102 CE1 TYR A 7 1.510 -2.854 -0.460 1.00 0.30 C
ATOM 103 CE2 TYR A 7 0.562 -5.076 -0.303 1.00 0.35 C
ATOM 104 CZ TYR A 7 1.374 -4.066 0.223 1.00 0.33 C
ATOM 105 OH TYR A 7 2.039 -4.267 1.414 1.00 0.39 O
ATOM 106 H TYR A 7 -1.467 -1.467 -1.452 1.00 0.26 H
ATOM 107 HA TYR A 7 -1.971 -1.936 -4.351 1.00 0.31 H
ATOM 108 HB2 TYR A 7 -1.159 -4.385 -3.801 1.00 0.38 H
ATOM 109 HB3 TYR A 7 -0.003 -3.142 -4.255 1.00 0.39 H
ATOM 110 HD1 TYR A 7 0.945 -1.716 -2.195 1.00 0.30 H
ATOM 111 HD2 TYR A 7 -0.746 -5.655 -1.913 1.00 0.39 H
ATOM 112 HE1 TYR A 7 2.137 -2.072 -0.056 1.00 0.32 H
ATOM 113 HE2 TYR A 7 0.460 -6.011 0.224 1.00 0.41 H
ATOM 114 HH TYR A 7 1.408 -4.157 2.130 1.00 0.93 H
ATOM 115 N CYS A 8 -3.894 -3.520 -3.875 1.00 0.17 N
ATOM 116 CA CYS A 8 -5.169 -4.226 -3.535 1.00 0.16 C
ATOM 117 C CYS A 8 -4.959 -5.728 -3.688 1.00 0.16 C
ATOM 118 O CYS A 8 -4.687 -6.224 -4.767 1.00 0.24 O
ATOM 119 CB CYS A 8 -6.301 -3.736 -4.445 1.00 0.21 C
ATOM 120 SG CYS A 8 -6.310 -1.922 -4.464 1.00 0.23 S
ATOM 121 H CYS A 8 -3.635 -3.412 -4.815 1.00 0.22 H
ATOM 122 HA CYS A 8 -5.419 -4.031 -2.515 1.00 0.18 H
ATOM 123 HB2 CYS A 8 -6.145 -4.107 -5.448 1.00 0.25 H
ATOM 124 HB3 CYS A 8 -7.247 -4.097 -4.071 1.00 0.25 H
ATOM 125 N ARG A 9 -5.061 -6.449 -2.601 1.00 0.15 N
ATOM 126 CA ARG A 9 -4.845 -7.920 -2.649 1.00 0.17 C
ATOM 127 C ARG A 9 -6.182 -8.657 -2.524 1.00 0.15 C
ATOM 128 O ARG A 9 -6.850 -8.602 -1.505 1.00 0.18 O
ATOM 129 CB ARG A 9 -3.909 -8.332 -1.509 1.00 0.24 C
ATOM 130 CG ARG A 9 -2.499 -7.794 -1.779 1.00 0.31 C
ATOM 131 CD ARG A 9 -1.614 -8.912 -2.338 1.00 0.50 C
ATOM 132 NE ARG A 9 -1.210 -8.567 -3.737 1.00 0.53 N
ATOM 133 CZ ARG A 9 -0.213 -9.178 -4.323 1.00 0.71 C
ATOM 134 NH1 ARG A 9 0.383 -10.183 -3.752 1.00 0.92 N
ATOM 135 NH2 ARG A 9 0.191 -8.772 -5.487 1.00 0.82 N
ATOM 136 H ARG A 9 -5.268 -6.012 -1.740 1.00 0.20 H
ATOM 137 HA ARG A 9 -4.387 -8.179 -3.593 1.00 0.21 H
ATOM 138 HB2 ARG A 9 -4.277 -7.920 -0.582 1.00 0.28 H
ATOM 139 HB3 ARG A 9 -3.877 -9.408 -1.436 1.00 0.30 H
ATOM 140 HG2 ARG A 9 -2.554 -6.985 -2.494 1.00 0.28 H
ATOM 141 HG3 ARG A 9 -2.072 -7.428 -0.856 1.00 0.43 H
ATOM 142 HD2 ARG A 9 -0.733 -9.012 -1.719 1.00 0.69 H
ATOM 143 HD3 ARG A 9 -2.164 -9.842 -2.337 1.00 0.61 H
ATOM 144 HE ARG A 9 -1.704 -7.875 -4.223 1.00 0.58 H
ATOM 145 HH11 ARG A 9 0.082 -10.502 -2.857 1.00 0.97 H
ATOM 146 HH12 ARG A 9 1.142 -10.639 -4.212 1.00 1.12 H
ATOM 147 HH21 ARG A 9 -0.259 -7.997 -5.927 1.00 0.84 H
ATOM 148 HH22 ARG A 9 0.953 -9.231 -5.943 1.00 0.96 H
ATOM 149 N ARG A 10 -6.558 -9.341 -3.575 1.00 0.21 N
ATOM 150 CA ARG A 10 -7.831 -10.126 -3.615 1.00 0.26 C
ATOM 151 C ARG A 10 -9.042 -9.217 -3.444 1.00 0.22 C
ATOM 152 O ARG A 10 -9.861 -9.087 -4.337 1.00 0.25 O
ATOM 153 CB ARG A 10 -7.817 -11.199 -2.517 1.00 0.34 C
ATOM 154 CG ARG A 10 -9.091 -12.046 -2.609 1.00 0.45 C
ATOM 155 CD ARG A 10 -9.110 -12.824 -3.932 1.00 0.54 C
ATOM 156 NE ARG A 10 -9.754 -11.988 -4.997 1.00 0.55 N
ATOM 157 CZ ARG A 10 -9.871 -12.431 -6.222 1.00 0.72 C
ATOM 158 NH1 ARG A 10 -9.533 -13.650 -6.525 1.00 0.87 N
ATOM 159 NH2 ARG A 10 -10.322 -11.643 -7.149 1.00 0.82 N
ATOM 160 H ARG A 10 -5.990 -9.334 -4.354 1.00 0.26 H
ATOM 161 HA ARG A 10 -7.906 -10.610 -4.566 1.00 0.34 H
ATOM 162 HB2 ARG A 10 -6.951 -11.832 -2.645 1.00 0.41 H
ATOM 163 HB3 ARG A 10 -7.773 -10.723 -1.547 1.00 0.36 H
ATOM 164 HG2 ARG A 10 -9.115 -12.741 -1.784 1.00 0.57 H
ATOM 165 HG3 ARG A 10 -9.955 -11.401 -2.562 1.00 0.45 H
ATOM 166 HD2 ARG A 10 -8.096 -13.064 -4.222 1.00 0.57 H
ATOM 167 HD3 ARG A 10 -9.673 -13.738 -3.799 1.00 0.69 H
ATOM 168 HE ARG A 10 -10.102 -11.097 -4.772 1.00 0.51 H
ATOM 169 HH11 ARG A 10 -9.180 -14.260 -5.821 1.00 0.87 H
ATOM 170 HH12 ARG A 10 -9.626 -13.975 -7.464 1.00 1.02 H
ATOM 171 HH21 ARG A 10 -10.576 -10.704 -6.924 1.00 0.79 H
ATOM 172 HH22 ARG A 10 -10.418 -11.975 -8.085 1.00 0.98 H
ATOM 173 N ARG A 11 -9.165 -8.616 -2.304 1.00 0.19 N
ATOM 174 CA ARG A 11 -10.318 -7.727 -2.031 1.00 0.22 C
ATOM 175 C ARG A 11 -9.905 -6.588 -1.079 1.00 0.21 C
ATOM 176 O ARG A 11 -10.752 -5.984 -0.439 1.00 0.28 O
ATOM 177 CB ARG A 11 -11.422 -8.577 -1.388 1.00 0.30 C
ATOM 178 CG ARG A 11 -12.758 -7.829 -1.421 1.00 0.37 C
ATOM 179 CD ARG A 11 -13.362 -7.822 -0.015 1.00 0.44 C
ATOM 180 NE ARG A 11 -12.754 -6.706 0.772 1.00 0.52 N
ATOM 181 CZ ARG A 11 -13.235 -6.346 1.931 1.00 0.80 C
ATOM 182 NH1 ARG A 11 -14.261 -6.956 2.451 1.00 0.99 N
ATOM 183 NH2 ARG A 11 -12.679 -5.368 2.574 1.00 0.96 N
ATOM 184 H ARG A 11 -8.492 -8.768 -1.611 1.00 0.21 H
ATOM 185 HA ARG A 11 -10.680 -7.309 -2.956 1.00 0.25 H
ATOM 186 HB2 ARG A 11 -11.518 -9.506 -1.931 1.00 0.35 H
ATOM 187 HB3 ARG A 11 -11.156 -8.789 -0.362 1.00 0.34 H
ATOM 188 HG2 ARG A 11 -12.598 -6.812 -1.751 1.00 0.38 H
ATOM 189 HG3 ARG A 11 -13.435 -8.327 -2.100 1.00 0.43 H
ATOM 190 HD2 ARG A 11 -14.429 -7.682 -0.086 1.00 0.49 H
ATOM 191 HD3 ARG A 11 -13.149 -8.765 0.470 1.00 0.50 H
ATOM 192 HE ARG A 11 -11.964 -6.232 0.403 1.00 0.43 H
ATOM 193 HH11 ARG A 11 -14.693 -7.710 1.966 1.00 0.91 H
ATOM 194 HH12 ARG A 11 -14.613 -6.669 3.339 1.00 1.23 H
ATOM 195 HH21 ARG A 11 -11.890 -4.898 2.180 1.00 0.88 H
ATOM 196 HH22 ARG A 11 -13.036 -5.083 3.462 1.00 1.21 H
ATOM 197 N PHE A 12 -8.626 -6.268 -0.962 1.00 0.17 N
ATOM 198 CA PHE A 12 -8.272 -5.154 -0.025 1.00 0.19 C
ATOM 199 C PHE A 12 -7.058 -4.349 -0.500 1.00 0.17 C
ATOM 200 O PHE A 12 -5.996 -4.877 -0.772 1.00 0.18 O
ATOM 201 CB PHE A 12 -8.034 -5.702 1.398 1.00 0.22 C
ATOM 202 CG PHE A 12 -6.714 -6.430 1.505 1.00 0.20 C
ATOM 203 CD1 PHE A 12 -6.640 -7.797 1.222 1.00 0.22 C
ATOM 204 CD2 PHE A 12 -5.567 -5.738 1.911 1.00 0.26 C
ATOM 205 CE1 PHE A 12 -5.422 -8.474 1.343 1.00 0.25 C
ATOM 206 CE2 PHE A 12 -4.348 -6.413 2.029 1.00 0.29 C
ATOM 207 CZ PHE A 12 -4.273 -7.780 1.746 1.00 0.25 C
ATOM 208 H PHE A 12 -7.921 -6.745 -1.480 1.00 0.16 H
ATOM 209 HA PHE A 12 -9.115 -4.480 0.018 1.00 0.23 H
ATOM 210 HB2 PHE A 12 -8.033 -4.878 2.096 1.00 0.25 H
ATOM 211 HB3 PHE A 12 -8.833 -6.379 1.654 1.00 0.25 H
ATOM 212 HD1 PHE A 12 -7.525 -8.330 0.907 1.00 0.28 H
ATOM 213 HD2 PHE A 12 -5.624 -4.683 2.129 1.00 0.33 H
ATOM 214 HE1 PHE A 12 -5.367 -9.530 1.122 1.00 0.32 H
ATOM 215 HE2 PHE A 12 -3.463 -5.877 2.339 1.00 0.38 H
ATOM 216 HZ PHE A 12 -3.331 -8.300 1.841 1.00 0.30 H
ATOM 217 N CYS A 13 -7.234 -3.051 -0.555 1.00 0.20 N
ATOM 218 CA CYS A 13 -6.130 -2.123 -0.950 1.00 0.22 C
ATOM 219 C CYS A 13 -5.387 -1.738 0.315 1.00 0.23 C
ATOM 220 O CYS A 13 -5.969 -1.273 1.278 1.00 0.31 O
ATOM 221 CB CYS A 13 -6.701 -0.883 -1.635 1.00 0.27 C
ATOM 222 SG CYS A 13 -7.681 -1.396 -3.072 1.00 0.25 S
ATOM 223 H CYS A 13 -8.102 -2.682 -0.300 1.00 0.24 H
ATOM 224 HA CYS A 13 -5.446 -2.616 -1.609 1.00 0.20 H
ATOM 225 HB2 CYS A 13 -7.327 -0.343 -0.940 1.00 0.32 H
ATOM 226 HB3 CYS A 13 -5.890 -0.247 -1.960 1.00 0.31 H
ATOM 227 N VAL A 14 -4.110 -1.969 0.331 1.00 0.23 N
ATOM 228 CA VAL A 14 -3.309 -1.672 1.539 1.00 0.26 C
ATOM 229 C VAL A 14 -2.312 -0.572 1.241 1.00 0.26 C
ATOM 230 O VAL A 14 -1.926 -0.365 0.113 1.00 0.39 O
ATOM 231 CB VAL A 14 -2.577 -2.945 1.949 1.00 0.28 C
ATOM 232 CG1 VAL A 14 -1.649 -3.398 0.826 1.00 0.43 C
ATOM 233 CG2 VAL A 14 -1.770 -2.705 3.222 1.00 0.52 C
ATOM 234 H VAL A 14 -3.669 -2.364 -0.460 1.00 0.28 H
ATOM 235 HA VAL A 14 -3.963 -1.362 2.339 1.00 0.28 H
ATOM 236 HB VAL A 14 -3.299 -3.709 2.125 1.00 0.37 H
ATOM 237 HG11 VAL A 14 -1.068 -2.559 0.476 1.00 0.92 H
ATOM 238 HG12 VAL A 14 -0.990 -4.165 1.195 1.00 0.97 H
ATOM 239 HG13 VAL A 14 -2.239 -3.792 0.010 1.00 0.98 H
ATOM 240 HG21 VAL A 14 -2.382 -2.179 3.939 1.00 0.70 H
ATOM 241 HG22 VAL A 14 -1.465 -3.654 3.636 1.00 0.63 H
ATOM 242 HG23 VAL A 14 -0.898 -2.115 2.989 1.00 0.67 H
ATOM 243 N CYS A 15 -1.889 0.113 2.259 1.00 0.23 N
ATOM 244 CA CYS A 15 -0.894 1.219 2.081 1.00 0.25 C
ATOM 245 C CYS A 15 0.226 1.060 3.108 1.00 0.28 C
ATOM 246 O CYS A 15 -0.006 1.092 4.301 1.00 0.34 O
ATOM 247 CB CYS A 15 -1.587 2.570 2.270 1.00 0.29 C
ATOM 248 SG CYS A 15 -1.538 3.488 0.709 1.00 0.35 S
ATOM 249 H CYS A 15 -2.223 -0.114 3.153 1.00 0.29 H
ATOM 250 HA CYS A 15 -0.476 1.167 1.087 1.00 0.25 H
ATOM 251 HB2 CYS A 15 -2.614 2.411 2.562 1.00 0.32 H
ATOM 252 HB3 CYS A 15 -1.078 3.136 3.038 1.00 0.34 H
ATOM 253 N VAL A 16 1.438 0.876 2.650 1.00 0.28 N
ATOM 254 CA VAL A 16 2.584 0.692 3.598 1.00 0.32 C
ATOM 255 C VAL A 16 3.760 1.588 3.195 1.00 0.29 C
ATOM 256 O VAL A 16 4.034 1.794 2.023 1.00 0.29 O
ATOM 257 CB VAL A 16 3.013 -0.786 3.594 1.00 0.36 C
ATOM 258 CG1 VAL A 16 2.999 -1.330 2.163 1.00 0.36 C
ATOM 259 CG2 VAL A 16 4.423 -0.933 4.171 1.00 0.43 C
ATOM 260 H VAL A 16 1.595 0.845 1.677 1.00 0.31 H
ATOM 261 HA VAL A 16 2.262 0.962 4.594 1.00 0.37 H
ATOM 262 HB VAL A 16 2.319 -1.352 4.199 1.00 0.43 H
ATOM 263 HG11 VAL A 16 3.014 -0.506 1.467 1.00 0.96 H
ATOM 264 HG12 VAL A 16 3.870 -1.949 2.002 1.00 0.95 H
ATOM 265 HG13 VAL A 16 2.106 -1.919 2.009 1.00 0.94 H
ATOM 266 HG21 VAL A 16 4.572 -0.202 4.950 1.00 1.17 H
ATOM 267 HG22 VAL A 16 4.540 -1.925 4.581 1.00 1.02 H
ATOM 268 HG23 VAL A 16 5.148 -0.779 3.387 1.00 1.00 H
ATOM 269 N GLY A 17 4.465 2.111 4.171 1.00 0.31 N
ATOM 270 CA GLY A 17 5.641 2.995 3.883 1.00 0.34 C
ATOM 271 C GLY A 17 6.911 2.151 3.761 1.00 0.34 C
ATOM 272 O GLY A 17 7.899 2.397 4.434 1.00 0.39 O
ATOM 273 H GLY A 17 4.219 1.914 5.099 1.00 0.34 H
ATOM 274 HA2 GLY A 17 5.473 3.526 2.958 1.00 0.36 H
ATOM 275 HA3 GLY A 17 5.761 3.705 4.687 1.00 0.37 H
ATOM 276 N ARG A 18 6.894 1.165 2.899 1.00 0.39 N
ATOM 277 CA ARG A 18 8.090 0.290 2.711 1.00 0.46 C
ATOM 278 C ARG A 18 8.509 0.300 1.226 1.00 0.43 C
ATOM 279 O ARG A 18 8.583 -0.733 0.585 1.00 0.40 O
ATOM 280 CB ARG A 18 7.734 -1.136 3.161 1.00 0.58 C
ATOM 281 CG ARG A 18 9.015 -1.932 3.441 1.00 0.66 C
ATOM 282 CD ARG A 18 8.947 -3.283 2.723 1.00 0.64 C
ATOM 283 NE ARG A 18 8.849 -3.053 1.247 1.00 0.52 N
ATOM 284 CZ ARG A 18 8.890 -4.046 0.402 1.00 0.78 C
ATOM 285 NH1 ARG A 18 9.016 -5.272 0.815 1.00 0.91 N
ATOM 286 NH2 ARG A 18 8.805 -3.802 -0.867 1.00 1.03 N
ATOM 287 H ARG A 18 6.085 1.001 2.370 1.00 0.44 H
ATOM 288 HA ARG A 18 8.907 0.662 3.313 1.00 0.59 H
ATOM 289 HB2 ARG A 18 7.136 -1.090 4.061 1.00 0.77 H
ATOM 290 HB3 ARG A 18 7.169 -1.627 2.382 1.00 0.57 H
ATOM 291 HG2 ARG A 18 9.871 -1.377 3.083 1.00 0.66 H
ATOM 292 HG3 ARG A 18 9.111 -2.096 4.503 1.00 0.91 H
ATOM 293 HD2 ARG A 18 9.840 -3.851 2.944 1.00 0.74 H
ATOM 294 HD3 ARG A 18 8.077 -3.829 3.063 1.00 0.83 H
ATOM 295 HE ARG A 18 8.752 -2.125 0.905 1.00 0.46 H
ATOM 296 HH11 ARG A 18 9.081 -5.470 1.790 1.00 0.86 H
ATOM 297 HH12 ARG A 18 9.049 -6.019 0.153 1.00 1.17 H
ATOM 298 HH21 ARG A 18 8.710 -2.860 -1.187 1.00 1.00 H
ATOM 299 HH22 ARG A 18 8.833 -4.552 -1.525 1.00 1.33 H
HETATM 300 N NH2 A 19 8.787 1.434 0.645 1.00 0.68 N
HETATM 301 HN1 NH2 A 19 8.731 2.276 1.148 1.00 0.86 H
HETATM 302 HN2 NH2 A 19 9.054 1.443 -0.298 1.00 0.76 H
TER 303 NH2 A 19
ENDMDL
MODEL 3
ATOM 1 N ARG A 1 9.272 10.562 6.132 1.00 0.72 N
ATOM 2 CA ARG A 1 9.980 10.387 4.822 1.00 0.61 C
ATOM 3 C ARG A 1 9.006 9.829 3.771 1.00 0.53 C
ATOM 4 O ARG A 1 7.966 9.292 4.106 1.00 0.59 O
ATOM 5 CB ARG A 1 11.165 9.422 4.997 1.00 0.56 C
ATOM 6 CG ARG A 1 10.669 8.047 5.466 1.00 0.52 C
ATOM 7 CD ARG A 1 11.315 6.952 4.612 1.00 0.43 C
ATOM 8 NE ARG A 1 10.246 6.189 3.894 1.00 0.32 N
ATOM 9 CZ ARG A 1 9.764 5.072 4.372 1.00 0.27 C
ATOM 10 NH1 ARG A 1 10.108 4.639 5.549 1.00 0.34 N
ATOM 11 NH2 ARG A 1 8.930 4.381 3.664 1.00 0.26 N
ATOM 12 H1 ARG A 1 8.521 9.847 6.220 1.00 1.03 H
ATOM 13 H2 ARG A 1 9.950 10.452 6.913 1.00 1.11 H
ATOM 14 H3 ARG A 1 8.848 11.510 6.173 1.00 1.15 H
ATOM 15 HA ARG A 1 10.349 11.347 4.488 1.00 0.67 H
ATOM 16 HB2 ARG A 1 11.678 9.314 4.051 1.00 0.54 H
ATOM 17 HB3 ARG A 1 11.851 9.823 5.728 1.00 0.65 H
ATOM 18 HG2 ARG A 1 10.939 7.902 6.503 1.00 0.64 H
ATOM 19 HG3 ARG A 1 9.595 7.992 5.362 1.00 0.52 H
ATOM 20 HD2 ARG A 1 11.979 7.408 3.889 1.00 0.47 H
ATOM 21 HD3 ARG A 1 11.882 6.284 5.243 1.00 0.51 H
ATOM 22 HE ARG A 1 9.887 6.546 3.036 1.00 0.36 H
ATOM 23 HH11 ARG A 1 10.747 5.158 6.105 1.00 0.41 H
ATOM 24 HH12 ARG A 1 9.728 3.783 5.894 1.00 0.38 H
ATOM 25 HH21 ARG A 1 8.654 4.701 2.746 1.00 0.31 H
ATOM 26 HH22 ARG A 1 8.557 3.519 4.027 1.00 0.27 H
ATOM 27 N GLY A 2 9.341 9.954 2.506 1.00 0.51 N
ATOM 28 CA GLY A 2 8.444 9.431 1.424 1.00 0.49 C
ATOM 29 C GLY A 2 8.790 7.969 1.116 1.00 0.40 C
ATOM 30 O GLY A 2 9.355 7.267 1.937 1.00 0.43 O
ATOM 31 H GLY A 2 10.185 10.388 2.266 1.00 0.57 H
ATOM 32 HA2 GLY A 2 7.414 9.496 1.748 1.00 0.53 H
ATOM 33 HA3 GLY A 2 8.576 10.023 0.531 1.00 0.56 H
ATOM 34 N GLY A 3 8.452 7.503 -0.061 1.00 0.38 N
ATOM 35 CA GLY A 3 8.757 6.085 -0.432 1.00 0.34 C
ATOM 36 C GLY A 3 7.789 5.143 0.290 1.00 0.25 C
ATOM 37 O GLY A 3 8.000 4.784 1.437 1.00 0.32 O
ATOM 38 H GLY A 3 7.998 8.088 -0.704 1.00 0.46 H
ATOM 39 HA2 GLY A 3 8.652 5.961 -1.500 1.00 0.41 H
ATOM 40 HA3 GLY A 3 9.769 5.846 -0.141 1.00 0.36 H
ATOM 41 N ARG A 4 6.736 4.741 -0.376 1.00 0.20 N
ATOM 42 CA ARG A 4 5.738 3.816 0.251 1.00 0.15 C
ATOM 43 C ARG A 4 4.966 3.066 -0.846 1.00 0.14 C
ATOM 44 O ARG A 4 5.063 3.391 -2.018 1.00 0.20 O
ATOM 45 CB ARG A 4 4.760 4.623 1.121 1.00 0.20 C
ATOM 46 CG ARG A 4 3.984 5.627 0.257 1.00 0.27 C
ATOM 47 CD ARG A 4 2.635 5.024 -0.150 1.00 0.32 C
ATOM 48 NE ARG A 4 2.659 4.701 -1.611 1.00 0.23 N
ATOM 49 CZ ARG A 4 2.336 5.596 -2.514 1.00 0.27 C
ATOM 50 NH1 ARG A 4 2.089 6.829 -2.178 1.00 0.42 N
ATOM 51 NH2 ARG A 4 2.267 5.250 -3.761 1.00 0.34 N
ATOM 52 H ARG A 4 6.598 5.044 -1.296 1.00 0.27 H
ATOM 53 HA ARG A 4 6.258 3.098 0.869 1.00 0.16 H
ATOM 54 HB2 ARG A 4 4.064 3.948 1.599 1.00 0.24 H
ATOM 55 HB3 ARG A 4 5.314 5.158 1.878 1.00 0.25 H
ATOM 56 HG2 ARG A 4 3.818 6.534 0.822 1.00 0.37 H
ATOM 57 HG3 ARG A 4 4.555 5.858 -0.630 1.00 0.26 H
ATOM 58 HD2 ARG A 4 2.464 4.117 0.417 1.00 0.41 H
ATOM 59 HD3 ARG A 4 1.844 5.728 0.057 1.00 0.45 H
ATOM 60 HE ARG A 4 2.932 3.802 -1.897 1.00 0.28 H
ATOM 61 HH11 ARG A 4 2.145 7.110 -1.224 1.00 0.48 H
ATOM 62 HH12 ARG A 4 1.840 7.497 -2.879 1.00 0.53 H
ATOM 63 HH21 ARG A 4 2.461 4.309 -4.029 1.00 0.38 H
ATOM 64 HH22 ARG A 4 2.023 5.925 -4.455 1.00 0.45 H
ATOM 65 N LEU A 5 4.197 2.072 -0.480 1.00 0.17 N
ATOM 66 CA LEU A 5 3.417 1.301 -1.501 1.00 0.19 C
ATOM 67 C LEU A 5 1.947 1.171 -1.076 1.00 0.19 C
ATOM 68 O LEU A 5 1.619 1.049 0.093 1.00 0.24 O
ATOM 69 CB LEU A 5 4.034 -0.085 -1.688 1.00 0.21 C
ATOM 70 CG LEU A 5 4.068 -0.790 -0.346 1.00 0.23 C
ATOM 71 CD1 LEU A 5 3.960 -2.298 -0.559 1.00 0.30 C
ATOM 72 CD2 LEU A 5 5.383 -0.477 0.370 1.00 0.24 C
ATOM 73 H LEU A 5 4.127 1.830 0.476 1.00 0.21 H
ATOM 74 HA LEU A 5 3.454 1.818 -2.439 1.00 0.20 H
ATOM 75 HB2 LEU A 5 3.433 -0.656 -2.382 1.00 0.25 H
ATOM 76 HB3 LEU A 5 5.038 0.013 -2.071 1.00 0.23 H
ATOM 77 HG LEU A 5 3.235 -0.432 0.241 1.00 0.25 H
ATOM 78 DD11 LEU A 5 3.345 -2.498 -1.422 1.00 0.34 D
ATOM 79 DD12 LEU A 5 4.946 -2.709 -0.716 1.00 0.39 D
ATOM 80 DD13 LEU A 5 3.517 -2.752 0.314 1.00 0.34 D
ATOM 81 DD21 LEU A 5 5.939 0.254 -0.198 1.00 1.00 D
ATOM 82 DD22 LEU A 5 5.172 -0.087 1.351 1.00 0.93 D
ATOM 83 DD23 LEU A 5 5.967 -1.380 0.460 1.00 0.98 D
ATOM 84 N CYS A 6 1.073 1.193 -2.042 1.00 0.20 N
ATOM 85 CA CYS A 6 -0.394 1.067 -1.782 1.00 0.21 C
ATOM 86 C CYS A 6 -0.962 0.146 -2.864 1.00 0.20 C
ATOM 87 O CYS A 6 -0.827 0.422 -4.044 1.00 0.23 O
ATOM 88 CB CYS A 6 -1.046 2.458 -1.878 1.00 0.22 C
ATOM 89 SG CYS A 6 -2.416 2.599 -0.703 1.00 0.23 S
ATOM 90 H CYS A 6 1.387 1.285 -2.963 1.00 0.24 H
ATOM 91 HA CYS A 6 -0.560 0.630 -0.802 1.00 0.21 H
ATOM 92 HB2 CYS A 6 -0.307 3.214 -1.654 1.00 0.26 H
ATOM 93 HB3 CYS A 6 -1.417 2.611 -2.882 1.00 0.23 H
ATOM 94 N TYR A 7 -1.549 -0.962 -2.487 1.00 0.19 N
ATOM 95 CA TYR A 7 -2.064 -1.911 -3.525 1.00 0.19 C
ATOM 96 C TYR A 7 -3.121 -2.861 -2.956 1.00 0.17 C
ATOM 97 O TYR A 7 -3.238 -3.036 -1.758 1.00 0.20 O
ATOM 98 CB TYR A 7 -0.890 -2.735 -4.077 1.00 0.21 C
ATOM 99 CG TYR A 7 -0.147 -3.456 -2.970 1.00 0.19 C
ATOM 100 CD1 TYR A 7 0.483 -2.737 -1.947 1.00 0.21 C
ATOM 101 CD2 TYR A 7 -0.076 -4.852 -2.982 1.00 0.23 C
ATOM 102 CE1 TYR A 7 1.173 -3.411 -0.936 1.00 0.21 C
ATOM 103 CE2 TYR A 7 0.616 -5.526 -1.973 1.00 0.24 C
ATOM 104 CZ TYR A 7 1.239 -4.810 -0.949 1.00 0.21 C
ATOM 105 OH TYR A 7 1.914 -5.487 0.051 1.00 0.24 O
ATOM 106 H TYR A 7 -1.623 -1.184 -1.532 1.00 0.20 H
ATOM 107 HA TYR A 7 -2.501 -1.345 -4.333 1.00 0.21 H
ATOM 108 HB2 TYR A 7 -1.270 -3.464 -4.770 1.00 0.23 H
ATOM 109 HB3 TYR A 7 -0.210 -2.075 -4.584 1.00 0.23 H
ATOM 110 HD1 TYR A 7 0.436 -1.662 -1.938 1.00 0.26 H
ATOM 111 HD2 TYR A 7 -0.561 -5.413 -3.770 1.00 0.27 H
ATOM 112 HE1 TYR A 7 1.653 -2.851 -0.147 1.00 0.25 H
ATOM 113 HE2 TYR A 7 0.674 -6.600 -1.987 1.00 0.30 H
ATOM 114 HH TYR A 7 2.694 -4.973 0.282 1.00 0.47 H
ATOM 115 N CYS A 8 -3.884 -3.481 -3.826 1.00 0.17 N
ATOM 116 CA CYS A 8 -4.945 -4.431 -3.374 1.00 0.15 C
ATOM 117 C CYS A 8 -4.433 -5.864 -3.459 1.00 0.14 C
ATOM 118 O CYS A 8 -4.114 -6.370 -4.520 1.00 0.20 O
ATOM 119 CB CYS A 8 -6.204 -4.238 -4.226 1.00 0.19 C
ATOM 120 SG CYS A 8 -6.526 -2.458 -4.415 1.00 0.23 S
ATOM 121 H CYS A 8 -3.754 -3.320 -4.784 1.00 0.21 H
ATOM 122 HA CYS A 8 -5.179 -4.239 -2.353 1.00 0.16 H
ATOM 123 HB2 CYS A 8 -6.055 -4.684 -5.200 1.00 0.22 H
ATOM 124 HB3 CYS A 8 -7.047 -4.707 -3.740 1.00 0.21 H
ATOM 125 N ARG A 9 -4.348 -6.512 -2.325 1.00 0.13 N
ATOM 126 CA ARG A 9 -3.850 -7.912 -2.279 1.00 0.16 C
ATOM 127 C ARG A 9 -5.032 -8.887 -2.234 1.00 0.16 C
ATOM 128 O ARG A 9 -5.735 -8.990 -1.241 1.00 0.17 O
ATOM 129 CB ARG A 9 -2.970 -8.090 -1.038 1.00 0.19 C
ATOM 130 CG ARG A 9 -1.514 -7.793 -1.403 1.00 0.34 C
ATOM 131 CD ARG A 9 -0.657 -7.745 -0.133 1.00 0.34 C
ATOM 132 NE ARG A 9 0.114 -9.024 -0.019 1.00 0.40 N
ATOM 133 CZ ARG A 9 1.370 -9.050 0.363 1.00 0.40 C
ATOM 134 NH1 ARG A 9 2.053 -7.958 0.562 1.00 0.38 N
ATOM 135 NH2 ARG A 9 1.948 -10.196 0.548 1.00 0.58 N
ATOM 136 H ARG A 9 -4.613 -6.063 -1.486 1.00 0.17 H
ATOM 137 HA ARG A 9 -3.261 -8.110 -3.164 1.00 0.19 H
ATOM 138 HB2 ARG A 9 -3.296 -7.405 -0.266 1.00 0.28 H
ATOM 139 HB3 ARG A 9 -3.051 -9.105 -0.676 1.00 0.28 H
ATOM 140 HG2 ARG A 9 -1.142 -8.568 -2.058 1.00 0.48 H
ATOM 141 HG3 ARG A 9 -1.459 -6.840 -1.908 1.00 0.48 H
ATOM 142 HD2 ARG A 9 0.019 -6.908 -0.191 1.00 0.33 H
ATOM 143 HD3 ARG A 9 -1.297 -7.629 0.730 1.00 0.46 H
ATOM 144 HE ARG A 9 -0.333 -9.865 -0.241 1.00 0.55 H
ATOM 145 HH11 ARG A 9 1.635 -7.055 0.423 1.00 0.38 H
ATOM 146 HH12 ARG A 9 3.006 -8.018 0.853 1.00 0.49 H
ATOM 147 HH21 ARG A 9 1.439 -11.042 0.399 1.00 0.71 H
ATOM 148 HH22 ARG A 9 2.901 -10.234 0.837 1.00 0.64 H
ATOM 149 N ARG A 10 -5.247 -9.587 -3.322 1.00 0.21 N
ATOM 150 CA ARG A 10 -6.362 -10.588 -3.435 1.00 0.26 C
ATOM 151 C ARG A 10 -7.722 -9.910 -3.277 1.00 0.21 C
ATOM 152 O ARG A 10 -8.545 -9.936 -4.173 1.00 0.25 O
ATOM 153 CB ARG A 10 -6.192 -11.684 -2.370 1.00 0.32 C
ATOM 154 CG ARG A 10 -6.192 -13.065 -3.045 1.00 0.46 C
ATOM 155 CD ARG A 10 -7.631 -13.489 -3.364 1.00 0.73 C
ATOM 156 NE ARG A 10 -7.644 -14.285 -4.635 1.00 0.85 N
ATOM 157 CZ ARG A 10 -8.762 -14.741 -5.143 1.00 1.12 C
ATOM 158 NH1 ARG A 10 -9.890 -14.618 -4.505 1.00 1.48 N
ATOM 159 NH2 ARG A 10 -8.747 -15.322 -6.303 1.00 1.67 N
ATOM 160 H ARG A 10 -4.665 -9.446 -4.083 1.00 0.24 H
ATOM 161 HA ARG A 10 -6.322 -11.038 -4.405 1.00 0.32 H
ATOM 162 HB2 ARG A 10 -5.255 -11.537 -1.852 1.00 0.40 H
ATOM 163 HB3 ARG A 10 -7.006 -11.631 -1.662 1.00 0.35 H
ATOM 164 HG2 ARG A 10 -5.618 -13.018 -3.960 1.00 0.51 H
ATOM 165 HG3 ARG A 10 -5.745 -13.791 -2.381 1.00 0.64 H
ATOM 166 HD2 ARG A 10 -8.016 -14.094 -2.550 1.00 1.20 H
ATOM 167 HD3 ARG A 10 -8.249 -12.609 -3.482 1.00 1.29 H
ATOM 168 HE ARG A 10 -6.797 -14.476 -5.091 1.00 1.33 H
ATOM 169 HH11 ARG A 10 -9.916 -14.174 -3.613 1.00 1.72 H
ATOM 170 HH12 ARG A 10 -10.733 -14.967 -4.910 1.00 1.84 H
ATOM 171 HH21 ARG A 10 -7.889 -15.422 -6.802 1.00 2.10 H
ATOM 172 HH22 ARG A 10 -9.595 -15.671 -6.698 1.00 1.88 H
ATOM 173 N ARG A 11 -7.961 -9.327 -2.144 1.00 0.18 N
ATOM 174 CA ARG A 11 -9.261 -8.658 -1.895 1.00 0.19 C
ATOM 175 C ARG A 11 -9.082 -7.438 -0.965 1.00 0.17 C
ATOM 176 O ARG A 11 -10.050 -6.957 -0.392 1.00 0.22 O
ATOM 177 CB ARG A 11 -10.196 -9.685 -1.246 1.00 0.26 C
ATOM 178 CG ARG A 11 -11.651 -9.230 -1.372 1.00 0.31 C
ATOM 179 CD ARG A 11 -12.302 -9.262 0.009 1.00 0.35 C
ATOM 180 NE ARG A 11 -11.947 -8.009 0.744 1.00 0.34 N
ATOM 181 CZ ARG A 11 -12.562 -7.664 1.843 1.00 0.47 C
ATOM 182 NH1 ARG A 11 -13.443 -8.447 2.394 1.00 0.59 N
ATOM 183 NH2 ARG A 11 -12.284 -6.523 2.394 1.00 0.55 N
ATOM 184 H ARG A 11 -7.277 -9.345 -1.445 1.00 0.21 H
ATOM 185 HA ARG A 11 -9.686 -8.334 -2.833 1.00 0.21 H
ATOM 186 HB2 ARG A 11 -10.076 -10.639 -1.737 1.00 0.33 H
ATOM 187 HB3 ARG A 11 -9.943 -9.787 -0.200 1.00 0.28 H
ATOM 188 HG2 ARG A 11 -11.685 -8.224 -1.765 1.00 0.30 H
ATOM 189 HG3 ARG A 11 -12.183 -9.896 -2.034 1.00 0.39 H
ATOM 190 HD2 ARG A 11 -13.372 -9.333 -0.100 1.00 0.40 H
ATOM 191 HD3 ARG A 11 -11.933 -10.119 0.558 1.00 0.39 H
ATOM 192 HE ARG A 11 -11.225 -7.429 0.387 1.00 0.30 H
ATOM 193 HH11 ARG A 11 -13.658 -9.327 1.979 1.00 0.58 H
ATOM 194 HH12 ARG A 11 -13.904 -8.168 3.233 1.00 0.73 H
ATOM 195 HH21 ARG A 11 -11.605 -5.921 1.978 1.00 0.51 H
ATOM 196 HH22 ARG A 11 -12.746 -6.248 3.234 1.00 0.70 H
ATOM 197 N PHE A 12 -7.879 -6.907 -0.798 1.00 0.14 N
ATOM 198 CA PHE A 12 -7.753 -5.715 0.109 1.00 0.16 C
ATOM 199 C PHE A 12 -6.676 -4.738 -0.371 1.00 0.15 C
ATOM 200 O PHE A 12 -5.537 -5.098 -0.602 1.00 0.15 O
ATOM 201 CB PHE A 12 -7.475 -6.158 1.561 1.00 0.20 C
ATOM 202 CG PHE A 12 -6.075 -6.710 1.725 1.00 0.20 C
ATOM 203 CD1 PHE A 12 -5.817 -8.060 1.467 1.00 0.23 C
ATOM 204 CD2 PHE A 12 -5.042 -5.872 2.165 1.00 0.26 C
ATOM 205 CE1 PHE A 12 -4.527 -8.572 1.645 1.00 0.26 C
ATOM 206 CE2 PHE A 12 -3.751 -6.383 2.340 1.00 0.30 C
ATOM 207 CZ PHE A 12 -3.494 -7.734 2.082 1.00 0.29 C
ATOM 208 H PHE A 12 -7.080 -7.280 -1.263 1.00 0.14 H