Setting up modeling proteins
Prepare Applications
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Prepare Oxytocin model
You can get Oxytocin model (2MGO.pdb) from PDB or here.
Or you save the following text as 2MGO.pdb.
HEADER HORMONE 01-NOV-13 2MGO
TITLE NMR SOLUTION STRUCTURE OF OXYTOCIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: OXYTOCIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.
KEYWDS HORMONE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.J.HARVEY,D.J.CRAIK
REVDAT 1 22-OCT-14 2MGO 0
JRNL AUTH J.KOEHBACH,M.O'BRIEN,M.MUTTENTHALER,M.MIAZZO,M.AKCAN,
JRNL AUTH 2 A.G.ELLIOTT,N.L.DALY,P.J.HARVEY,S.ARROWSMITH,S.GUNASEKERA,
JRNL AUTH 3 T.J.SMITH,S.WRAY,U.GORANSSON,P.E.DAWSON,D.J.CRAIK,
JRNL AUTH 4 M.FREISSMUTH,C.W.GRUBER
JRNL TITL OXYTOCIC PLANT CYCLOTIDES AS TEMPLATES FOR PEPTIDE G
JRNL TITL 2 PROTEIN-COUPLED RECEPTOR LIGAND DESIGN.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 110 21183 2013
JRNL REFN ISSN 0027-8424
JRNL PMID 24248349
JRNL DOI 10.1073/PNAS.1311183110
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2MGO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-NOV-13.
REMARK 100 THE RCSB ID CODE IS RCSB103594.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 2.0 MM ENTITY-1, 90% H2O/10%
REMARK 210 D2O; 2.0 MM ENTITY-2, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;
REMARK 210 2D 1H-13C HSQC ALIPHATIC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : TOPSPIN, CYANA, CNS, SPARKY
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: 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 ASN A 5 76.88 -163.81
REMARK 500 4 TYR A 2 -162.74 -100.60
REMARK 500 6 TYR A 2 77.75 -116.85
REMARK 500 7 GLN A 4 33.76 -93.03
REMARK 500 7 CYS A 6 119.81 -169.16
REMARK 500 15 ASN A 5 71.52 -155.01
REMARK 500 16 TYR A 2 -154.39 -99.98
REMARK 500 16 ILE A 3 -69.75 -96.01
REMARK 500 16 ASN A 5 56.09 -102.96
REMARK 500 18 ASN A 5 35.28 -96.96
REMARK 500 19 TYR A 2 56.55 -106.33
REMARK 500 19 PRO A 7 104.04 -51.00
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 19595 RELATED DB: BMRB
DBREF 2MGO A 1 9 PDB 2MGO 2MGO 1 9
SEQRES 1 A 9 CYS TYR ILE GLN ASN CYS PRO LEU GLY
SSBOND 1 CYS A 1 CYS A 6 1555 1555 2.04
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 CYS A 1 4.874 2.855 0.366 1.00 0.00 N
ATOM 2 CA CYS A 1 3.791 1.923 0.075 1.00 0.00 C
ATOM 3 C CYS A 1 4.157 0.518 0.500 1.00 0.00 C
ATOM 4 O CYS A 1 5.232 0.286 1.045 1.00 0.00 O
ATOM 5 CB CYS A 1 3.435 1.946 -1.418 1.00 0.00 C
ATOM 6 SG CYS A 1 2.665 3.502 -1.990 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.740 2.550 -0.125 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.072 2.861 1.387 1.00 0.00 H
ATOM 9 H3 CYS A 1 4.642 3.820 0.062 1.00 0.00 H
ATOM 10 HA CYS A 1 2.928 2.234 0.643 1.00 0.00 H
ATOM 11 HB2 CYS A 1 4.332 1.791 -1.997 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.744 1.142 -1.622 1.00 0.00 H
ATOM 13 N TYR A 2 3.252 -0.399 0.268 1.00 0.00 N
ATOM 14 CA TYR A 2 3.387 -1.760 0.550 1.00 0.00 C
ATOM 15 C TYR A 2 2.361 -2.413 -0.333 1.00 0.00 C
ATOM 16 O TYR A 2 1.436 -1.723 -0.788 1.00 0.00 O
ATOM 17 CB TYR A 2 3.100 -2.041 2.041 1.00 0.00 C
ATOM 18 CG TYR A 2 3.274 -3.486 2.457 1.00 0.00 C
ATOM 19 CD1 TYR A 2 4.530 -4.073 2.473 1.00 0.00 C
ATOM 20 CD2 TYR A 2 2.185 -4.258 2.838 1.00 0.00 C
ATOM 21 CE1 TYR A 2 4.697 -5.383 2.850 1.00 0.00 C
ATOM 22 CE2 TYR A 2 2.348 -5.571 3.218 1.00 0.00 C
ATOM 23 CZ TYR A 2 3.607 -6.128 3.221 1.00 0.00 C
ATOM 24 OH TYR A 2 3.773 -7.431 3.601 1.00 0.00 O
ATOM 25 H TYR A 2 2.377 -0.218 -0.138 1.00 0.00 H
ATOM 26 HA TYR A 2 4.384 -2.073 0.287 1.00 0.00 H
ATOM 27 HB2 TYR A 2 3.772 -1.449 2.644 1.00 0.00 H
ATOM 28 HB3 TYR A 2 2.085 -1.750 2.255 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.390 -3.488 2.179 1.00 0.00 H
ATOM 30 HD2 TYR A 2 1.200 -3.817 2.836 1.00 0.00 H
ATOM 31 HE1 TYR A 2 5.688 -5.813 2.853 1.00 0.00 H
ATOM 32 HE2 TYR A 2 1.490 -6.159 3.512 1.00 0.00 H
ATOM 33 HH TYR A 2 4.479 -7.464 4.259 1.00 0.00 H
ATOM 34 N ILE A 3 2.531 -3.680 -0.581 1.00 0.00 N
ATOM 35 CA ILE A 3 1.677 -4.511 -1.466 1.00 0.00 C
ATOM 36 C ILE A 3 0.199 -4.221 -1.291 1.00 0.00 C
ATOM 37 O ILE A 3 -0.519 -3.905 -2.240 1.00 0.00 O
ATOM 38 CB ILE A 3 1.928 -6.029 -1.237 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.427 -6.341 -1.317 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.161 -6.856 -2.271 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.786 -7.783 -1.018 1.00 0.00 C
ATOM 42 H ILE A 3 3.329 -4.061 -0.158 1.00 0.00 H
ATOM 43 HA ILE A 3 1.916 -4.277 -2.480 1.00 0.00 H
ATOM 44 HB ILE A 3 1.566 -6.288 -0.253 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.787 -6.114 -2.309 1.00 0.00 H
ATOM 46 HG13 ILE A 3 3.942 -5.720 -0.600 1.00 0.00 H
ATOM 47 HG21 ILE A 3 0.104 -6.656 -2.178 1.00 0.00 H
ATOM 48 HG22 ILE A 3 1.348 -7.906 -2.103 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.490 -6.585 -3.264 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.477 -8.030 -0.013 1.00 0.00 H
ATOM 51 HD12 ILE A 3 4.852 -7.914 -1.110 1.00 0.00 H
ATOM 52 HD13 ILE A 3 3.279 -8.428 -1.719 1.00 0.00 H
ATOM 53 N GLN A 4 -0.204 -4.279 -0.093 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.601 -4.078 0.283 1.00 0.00 C
ATOM 55 C GLN A 4 -1.790 -2.792 1.112 1.00 0.00 C
ATOM 56 O GLN A 4 -2.726 -2.685 1.911 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.146 -5.314 1.032 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.441 -5.647 2.338 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.010 -6.885 3.023 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.494 -7.820 2.381 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.983 -6.890 4.320 1.00 0.00 N
ATOM 62 H GLN A 4 0.534 -4.475 0.514 1.00 0.00 H
ATOM 63 HA GLN A 4 -2.157 -3.961 -0.636 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -3.186 -5.141 1.261 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.073 -6.173 0.381 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -0.396 -5.820 2.131 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -1.539 -4.804 3.006 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -1.614 -6.104 4.777 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -2.310 -7.672 4.809 1.00 0.00 H
ATOM 70 N ASN A 5 -0.942 -1.802 0.876 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.010 -0.533 1.594 1.00 0.00 C
ATOM 72 C ASN A 5 -0.214 0.526 0.877 1.00 0.00 C
ATOM 73 O ASN A 5 0.937 0.794 1.192 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.572 -0.650 3.081 1.00 0.00 C
ATOM 75 CG ASN A 5 -0.616 0.690 3.831 1.00 0.00 C
ATOM 76 OD1 ASN A 5 0.387 1.404 3.922 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -1.765 1.049 4.341 1.00 0.00 N
ATOM 78 H ASN A 5 -0.281 -1.878 0.152 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.046 -0.229 1.562 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -1.214 -1.350 3.590 1.00 0.00 H
ATOM 81 HB3 ASN A 5 0.440 -1.021 3.119 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.545 0.463 4.229 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -1.800 1.901 4.829 1.00 0.00 H
ATOM 84 N CYS A 6 -0.764 1.026 -0.158 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.140 2.101 -0.873 1.00 0.00 C
ATOM 86 C CYS A 6 -1.051 3.316 -0.861 1.00 0.00 C
ATOM 87 O CYS A 6 -2.141 3.274 -1.434 1.00 0.00 O
ATOM 88 CB CYS A 6 0.193 1.681 -2.308 1.00 0.00 C
ATOM 89 SG CYS A 6 1.185 2.902 -3.264 1.00 0.00 S
ATOM 90 H CYS A 6 -1.607 0.632 -0.477 1.00 0.00 H
ATOM 91 HA CYS A 6 0.778 2.346 -0.358 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.742 0.752 -2.286 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.736 1.528 -2.838 1.00 0.00 H
ATOM 94 N PRO A 7 -0.660 4.386 -0.143 1.00 0.00 N
ATOM 95 CA PRO A 7 -1.424 5.635 -0.117 1.00 0.00 C
ATOM 96 C PRO A 7 -1.574 6.192 -1.529 1.00 0.00 C
ATOM 97 O PRO A 7 -0.590 6.580 -2.165 1.00 0.00 O
ATOM 98 CB PRO A 7 -0.555 6.569 0.729 1.00 0.00 C
ATOM 99 CG PRO A 7 0.282 5.665 1.553 1.00 0.00 C
ATOM 100 CD PRO A 7 0.537 4.459 0.710 1.00 0.00 C
ATOM 101 HA PRO A 7 -2.395 5.502 0.335 1.00 0.00 H
ATOM 102 HB2 PRO A 7 0.048 7.185 0.077 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -1.184 7.194 1.344 1.00 0.00 H
ATOM 104 HG2 PRO A 7 1.212 6.152 1.808 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -0.254 5.387 2.449 1.00 0.00 H
ATOM 106 HD2 PRO A 7 1.429 4.592 0.115 1.00 0.00 H
ATOM 107 HD3 PRO A 7 0.620 3.579 1.332 1.00 0.00 H
ATOM 108 N LEU A 8 -2.786 6.199 -2.024 1.00 0.00 N
ATOM 109 CA LEU A 8 -3.044 6.624 -3.392 1.00 0.00 C
ATOM 110 C LEU A 8 -3.389 8.088 -3.457 1.00 0.00 C
ATOM 111 O LEU A 8 -3.608 8.661 -4.523 1.00 0.00 O
ATOM 112 CB LEU A 8 -4.136 5.783 -4.023 1.00 0.00 C
ATOM 113 CG LEU A 8 -3.848 4.280 -4.173 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -5.036 3.567 -4.795 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -2.590 4.042 -5.000 1.00 0.00 C
ATOM 116 H LEU A 8 -3.532 5.912 -1.455 1.00 0.00 H
ATOM 117 HA LEU A 8 -2.131 6.487 -3.939 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -5.028 5.902 -3.423 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -4.316 6.211 -4.993 1.00 0.00 H
ATOM 120 HG LEU A 8 -3.694 3.858 -3.191 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -4.811 2.516 -4.898 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -5.242 3.990 -5.767 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -5.902 3.690 -4.161 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -2.703 4.498 -5.973 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -2.433 2.979 -5.115 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -1.739 4.471 -4.494 1.00 0.00 H
ATOM 127 N GLY A 9 -3.406 8.654 -2.333 1.00 0.00 N
ATOM 128 CA GLY A 9 -3.689 10.034 -2.161 1.00 0.00 C
ATOM 129 C GLY A 9 -3.647 10.353 -0.712 1.00 0.00 C
ATOM 130 O GLY A 9 -3.337 11.487 -0.337 1.00 0.00 O
ATOM 131 OXT GLY A 9 -3.916 9.443 0.096 1.00 0.00 O
ATOM 132 H GLY A 9 -3.209 8.066 -1.579 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -2.953 10.621 -2.691 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -4.676 10.254 -2.541 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 2
ATOM 1 N CYS A 1 5.148 2.822 -0.095 1.00 0.00 N
ATOM 2 CA CYS A 1 4.820 1.561 0.543 1.00 0.00 C
ATOM 3 C CYS A 1 4.659 0.509 -0.530 1.00 0.00 C
ATOM 4 O CYS A 1 4.364 0.839 -1.679 1.00 0.00 O
ATOM 5 CB CYS A 1 3.520 1.709 1.346 1.00 0.00 C
ATOM 6 SG CYS A 1 2.102 2.342 0.384 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.272 3.593 0.590 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.371 3.050 -0.748 1.00 0.00 H
ATOM 9 H3 CYS A 1 6.000 2.711 -0.677 1.00 0.00 H
ATOM 10 HA CYS A 1 5.626 1.282 1.206 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.222 0.746 1.733 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.680 2.389 2.168 1.00 0.00 H
ATOM 13 N TYR A 2 4.877 -0.736 -0.196 1.00 0.00 N
ATOM 14 CA TYR A 2 4.699 -1.789 -1.149 1.00 0.00 C
ATOM 15 C TYR A 2 3.937 -2.931 -0.504 1.00 0.00 C
ATOM 16 O TYR A 2 4.495 -3.980 -0.173 1.00 0.00 O
ATOM 17 CB TYR A 2 6.044 -2.243 -1.761 1.00 0.00 C
ATOM 18 CG TYR A 2 5.910 -3.208 -2.928 1.00 0.00 C
ATOM 19 CD1 TYR A 2 5.312 -2.806 -4.112 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.398 -4.505 -2.852 1.00 0.00 C
ATOM 21 CE1 TYR A 2 5.196 -3.662 -5.180 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.284 -5.371 -3.922 1.00 0.00 C
ATOM 23 CZ TYR A 2 5.683 -4.943 -5.082 1.00 0.00 C
ATOM 24 OH TYR A 2 5.576 -5.799 -6.149 1.00 0.00 O
ATOM 25 H TYR A 2 5.164 -0.963 0.716 1.00 0.00 H
ATOM 26 HA TYR A 2 4.075 -1.386 -1.933 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.578 -1.372 -2.115 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.631 -2.723 -0.992 1.00 0.00 H
ATOM 29 HD1 TYR A 2 4.926 -1.801 -4.190 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.869 -4.839 -1.940 1.00 0.00 H
ATOM 31 HE1 TYR A 2 4.724 -3.317 -6.088 1.00 0.00 H
ATOM 32 HE2 TYR A 2 6.671 -6.376 -3.841 1.00 0.00 H
ATOM 33 HH TYR A 2 5.764 -5.310 -6.959 1.00 0.00 H
ATOM 34 N ILE A 3 2.690 -2.662 -0.227 1.00 0.00 N
ATOM 35 CA ILE A 3 1.758 -3.582 0.338 1.00 0.00 C
ATOM 36 C ILE A 3 0.426 -3.268 -0.284 1.00 0.00 C
ATOM 37 O ILE A 3 0.311 -2.278 -1.003 1.00 0.00 O
ATOM 38 CB ILE A 3 1.653 -3.447 1.880 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.460 -1.975 2.313 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.830 -4.107 2.593 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.352 -1.774 3.812 1.00 0.00 C
ATOM 42 H ILE A 3 2.298 -1.784 -0.415 1.00 0.00 H
ATOM 43 HA ILE A 3 2.055 -4.584 0.073 1.00 0.00 H
ATOM 44 HB ILE A 3 0.760 -3.992 2.133 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.302 -1.394 1.963 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.560 -1.592 1.855 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.848 -5.163 2.360 1.00 0.00 H
ATOM 48 HG22 ILE A 3 2.730 -3.972 3.659 1.00 0.00 H
ATOM 49 HG23 ILE A 3 3.751 -3.652 2.258 1.00 0.00 H
ATOM 50 HD11 ILE A 3 0.559 -2.390 4.208 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.153 -0.734 4.025 1.00 0.00 H
ATOM 52 HD13 ILE A 3 2.287 -2.058 4.273 1.00 0.00 H
ATOM 53 N GLN A 4 -0.578 -4.041 -0.002 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.875 -3.818 -0.627 1.00 0.00 C
ATOM 55 C GLN A 4 -2.685 -2.788 0.158 1.00 0.00 C
ATOM 56 O GLN A 4 -3.712 -2.283 -0.295 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.631 -5.137 -0.788 1.00 0.00 C
ATOM 58 CG GLN A 4 -3.849 -5.057 -1.691 1.00 0.00 C
ATOM 59 CD GLN A 4 -3.489 -4.591 -3.083 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -3.507 -3.399 -3.384 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -3.142 -5.510 -3.928 1.00 0.00 N
ATOM 62 H GLN A 4 -0.463 -4.786 0.627 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.680 -3.394 -1.597 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -1.959 -5.878 -1.197 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.957 -5.464 0.187 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -4.290 -6.037 -1.763 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -4.560 -4.363 -1.266 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -3.135 -6.445 -3.629 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -2.898 -5.234 -4.838 1.00 0.00 H
ATOM 70 N ASN A 5 -2.150 -2.420 1.285 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.795 -1.466 2.203 1.00 0.00 C
ATOM 72 C ASN A 5 -2.464 -0.036 1.825 1.00 0.00 C
ATOM 73 O ASN A 5 -2.735 0.900 2.576 1.00 0.00 O
ATOM 74 CB ASN A 5 -2.384 -1.720 3.661 1.00 0.00 C
ATOM 75 CG ASN A 5 -2.787 -3.083 4.187 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -2.053 -4.061 4.024 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -3.907 -3.162 4.858 1.00 0.00 N
ATOM 78 H ASN A 5 -1.283 -2.827 1.478 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.860 -1.597 2.106 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -1.310 -1.635 3.738 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -2.838 -0.963 4.285 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -4.435 -2.343 4.992 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -4.184 -4.035 5.211 1.00 0.00 H
ATOM 84 N CYS A 6 -1.888 0.128 0.675 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.562 1.434 0.167 1.00 0.00 C
ATOM 86 C CYS A 6 -2.828 2.059 -0.416 1.00 0.00 C
ATOM 87 O CYS A 6 -3.506 1.430 -1.229 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.460 1.334 -0.888 1.00 0.00 C
ATOM 89 SG CYS A 6 1.118 0.676 -0.235 1.00 0.00 S
ATOM 90 H CYS A 6 -1.718 -0.672 0.139 1.00 0.00 H
ATOM 91 HA CYS A 6 -1.209 2.024 1.002 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.793 0.678 -1.678 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.268 2.316 -1.295 1.00 0.00 H
ATOM 94 N PRO A 7 -3.189 3.278 0.012 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.421 3.928 -0.428 1.00 0.00 C
ATOM 96 C PRO A 7 -4.426 4.237 -1.923 1.00 0.00 C
ATOM 97 O PRO A 7 -3.374 4.494 -2.530 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.472 5.221 0.390 1.00 0.00 C
ATOM 99 CG PRO A 7 -3.070 5.468 0.819 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.424 4.122 0.952 1.00 0.00 C
ATOM 101 HA PRO A 7 -5.284 3.321 -0.198 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -4.847 6.025 -0.228 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.124 5.082 1.238 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -2.559 6.061 0.074 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.066 5.983 1.768 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.384 4.174 0.667 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -2.519 3.754 1.962 1.00 0.00 H
ATOM 108 N LEU A 8 -5.605 4.202 -2.510 1.00 0.00 N
ATOM 109 CA LEU A 8 -5.780 4.476 -3.936 1.00 0.00 C
ATOM 110 C LEU A 8 -6.052 5.954 -4.167 1.00 0.00 C
ATOM 111 O LEU A 8 -6.295 6.423 -5.294 1.00 0.00 O
ATOM 112 CB LEU A 8 -6.905 3.634 -4.495 1.00 0.00 C
ATOM 113 CG LEU A 8 -6.693 2.114 -4.477 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -7.936 1.397 -4.961 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -5.503 1.727 -5.334 1.00 0.00 C
ATOM 116 H LEU A 8 -6.401 3.970 -1.983 1.00 0.00 H
ATOM 117 HA LEU A 8 -4.857 4.226 -4.427 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -7.793 3.862 -3.923 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -7.051 3.969 -5.506 1.00 0.00 H
ATOM 120 HG LEU A 8 -6.500 1.796 -3.463 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -8.767 1.634 -4.311 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -7.762 0.331 -4.954 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -8.163 1.716 -5.966 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -4.603 2.180 -4.944 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -5.666 2.060 -6.348 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -5.394 0.653 -5.328 1.00 0.00 H
ATOM 127 N GLY A 9 -6.005 6.641 -3.111 1.00 0.00 N
ATOM 128 CA GLY A 9 -6.185 8.047 -3.066 1.00 0.00 C
ATOM 129 C GLY A 9 -6.020 8.497 -1.657 1.00 0.00 C
ATOM 130 O GLY A 9 -6.319 7.696 -0.754 1.00 0.00 O
ATOM 131 OXT GLY A 9 -5.565 9.622 -1.411 1.00 0.00 O
ATOM 132 H GLY A 9 -5.838 6.128 -2.297 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -5.447 8.522 -3.697 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -7.177 8.299 -3.405 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 3
ATOM 1 N CYS A 1 3.846 2.272 -1.252 1.00 0.00 N
ATOM 2 CA CYS A 1 4.180 1.396 -0.140 1.00 0.00 C
ATOM 3 C CYS A 1 4.491 -0.004 -0.667 1.00 0.00 C
ATOM 4 O CYS A 1 4.300 -0.271 -1.862 1.00 0.00 O
ATOM 5 CB CYS A 1 3.029 1.355 0.881 1.00 0.00 C
ATOM 6 SG CYS A 1 2.573 2.984 1.575 1.00 0.00 S
ATOM 7 H1 CYS A 1 3.036 1.885 -1.778 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.649 2.312 -1.909 1.00 0.00 H
ATOM 9 H3 CYS A 1 3.613 3.233 -0.935 1.00 0.00 H
ATOM 10 HA CYS A 1 5.067 1.794 0.325 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.149 0.950 0.406 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.305 0.710 1.703 1.00 0.00 H
ATOM 13 N TYR A 2 4.965 -0.898 0.206 1.00 0.00 N
ATOM 14 CA TYR A 2 5.296 -2.273 -0.203 1.00 0.00 C
ATOM 15 C TYR A 2 4.070 -3.195 -0.171 1.00 0.00 C
ATOM 16 O TYR A 2 4.137 -4.363 -0.553 1.00 0.00 O
ATOM 17 CB TYR A 2 6.451 -2.853 0.649 1.00 0.00 C
ATOM 18 CG TYR A 2 6.149 -2.989 2.143 1.00 0.00 C
ATOM 19 CD1 TYR A 2 5.562 -4.137 2.651 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.445 -1.969 3.032 1.00 0.00 C
ATOM 21 CE1 TYR A 2 5.278 -4.268 3.992 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.163 -2.089 4.379 1.00 0.00 C
ATOM 23 CZ TYR A 2 5.577 -3.242 4.851 1.00 0.00 C
ATOM 24 OH TYR A 2 5.295 -3.372 6.188 1.00 0.00 O
ATOM 25 H TYR A 2 5.154 -0.623 1.132 1.00 0.00 H
ATOM 26 HA TYR A 2 5.612 -2.212 -1.230 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.696 -3.838 0.279 1.00 0.00 H
ATOM 28 HB3 TYR A 2 7.317 -2.218 0.541 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.327 -4.948 1.976 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.907 -1.066 2.659 1.00 0.00 H
ATOM 31 HE1 TYR A 2 4.814 -5.176 4.349 1.00 0.00 H
ATOM 32 HE2 TYR A 2 6.404 -1.279 5.051 1.00 0.00 H
ATOM 33 HH TYR A 2 4.812 -2.593 6.494 1.00 0.00 H
ATOM 34 N ILE A 3 2.982 -2.659 0.282 1.00 0.00 N
ATOM 35 CA ILE A 3 1.744 -3.356 0.406 1.00 0.00 C
ATOM 36 C ILE A 3 0.633 -2.487 -0.118 1.00 0.00 C
ATOM 37 O ILE A 3 0.700 -1.255 -0.026 1.00 0.00 O
ATOM 38 CB ILE A 3 1.438 -3.753 1.869 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.756 -2.592 2.846 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.141 -5.049 2.255 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.476 -2.902 4.307 1.00 0.00 C
ATOM 42 H ILE A 3 2.983 -1.717 0.520 1.00 0.00 H
ATOM 43 HA ILE A 3 1.804 -4.253 -0.192 1.00 0.00 H
ATOM 44 HB ILE A 3 0.376 -3.932 1.890 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.803 -2.342 2.762 1.00 0.00 H
ATOM 46 HG13 ILE A 3 1.165 -1.732 2.568 1.00 0.00 H
ATOM 47 HG21 ILE A 3 1.902 -5.296 3.279 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.208 -4.921 2.153 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.811 -5.846 1.604 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.729 -2.043 4.910 1.00 0.00 H
ATOM 51 HD12 ILE A 3 2.072 -3.748 4.613 1.00 0.00 H
ATOM 52 HD13 ILE A 3 0.429 -3.135 4.429 1.00 0.00 H
ATOM 53 N GLN A 4 -0.378 -3.116 -0.648 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.543 -2.430 -1.223 1.00 0.00 C
ATOM 55 C GLN A 4 -2.555 -2.080 -0.149 1.00 0.00 C
ATOM 56 O GLN A 4 -3.618 -1.540 -0.421 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.197 -3.276 -2.307 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.299 -3.554 -3.494 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.970 -4.369 -4.571 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -3.184 -4.300 -4.770 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.195 -5.143 -5.276 1.00 0.00 N
ATOM 62 H GLN A 4 -0.335 -4.096 -0.661 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.186 -1.509 -1.658 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.472 -4.223 -1.865 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.087 -2.774 -2.655 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.004 -2.610 -3.925 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.426 -4.086 -3.148 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -0.236 -5.154 -5.072 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -1.602 -5.688 -5.984 1.00 0.00 H
ATOM 70 N ASN A 5 -2.197 -2.374 1.053 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.989 -2.085 2.213 1.00 0.00 C
ATOM 72 C ASN A 5 -2.075 -1.358 3.148 1.00 0.00 C
ATOM 73 O ASN A 5 -1.670 -1.861 4.191 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.537 -3.365 2.878 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.524 -3.088 4.012 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -5.725 -3.024 3.796 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.028 -2.923 5.224 1.00 0.00 N
ATOM 78 H ASN A 5 -1.316 -2.776 1.167 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.799 -1.437 1.913 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -4.044 -3.958 2.132 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -2.709 -3.932 3.278 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -3.051 -2.981 5.320 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -4.627 -2.721 5.977 1.00 0.00 H
ATOM 84 N CYS A 6 -1.629 -0.250 2.677 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.727 0.598 3.399 1.00 0.00 C
ATOM 86 C CYS A 6 -1.529 1.437 4.393 1.00 0.00 C
ATOM 87 O CYS A 6 -2.371 2.241 3.986 1.00 0.00 O
ATOM 88 CB CYS A 6 0.028 1.490 2.404 1.00 0.00 C
ATOM 89 SG CYS A 6 1.331 2.550 3.131 1.00 0.00 S
ATOM 90 H CYS A 6 -1.944 0.006 1.784 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.019 -0.024 3.924 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.500 0.860 1.667 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.684 2.130 1.907 1.00 0.00 H
ATOM 94 N PRO A 7 -1.333 1.217 5.708 1.00 0.00 N
ATOM 95 CA PRO A 7 -2.041 1.971 6.744 1.00 0.00 C
ATOM 96 C PRO A 7 -1.674 3.453 6.697 1.00 0.00 C
ATOM 97 O PRO A 7 -0.489 3.808 6.686 1.00 0.00 O
ATOM 98 CB PRO A 7 -1.549 1.337 8.058 1.00 0.00 C
ATOM 99 CG PRO A 7 -0.987 0.019 7.664 1.00 0.00 C
ATOM 100 CD PRO A 7 -0.421 0.218 6.294 1.00 0.00 C
ATOM 101 HA PRO A 7 -3.109 1.850 6.648 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -0.790 1.970 8.493 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -2.375 1.228 8.746 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -0.212 -0.276 8.356 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -1.771 -0.722 7.641 1.00 0.00 H
ATOM 106 HD2 PRO A 7 0.589 0.593 6.353 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -0.458 -0.711 5.744 1.00 0.00 H
ATOM 108 N LEU A 8 -2.673 4.306 6.632 1.00 0.00 N
ATOM 109 CA LEU A 8 -2.443 5.749 6.578 1.00 0.00 C
ATOM 110 C LEU A 8 -3.210 6.468 7.651 1.00 0.00 C
ATOM 111 O LEU A 8 -3.158 7.700 7.771 1.00 0.00 O
ATOM 112 CB LEU A 8 -2.819 6.328 5.228 1.00 0.00 C
ATOM 113 CG LEU A 8 -1.971 5.927 4.021 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -2.491 6.619 2.771 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -0.505 6.271 4.255 1.00 0.00 C
ATOM 116 H LEU A 8 -3.592 3.958 6.621 1.00 0.00 H
ATOM 117 HA LEU A 8 -1.395 5.913 6.753 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -3.840 6.036 5.030 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -2.790 7.397 5.353 1.00 0.00 H
ATOM 120 HG LEU A 8 -2.057 4.861 3.871 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -3.513 6.321 2.593 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -1.881 6.347 1.923 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -2.449 7.690 2.912 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -0.120 5.694 5.081 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -0.413 7.324 4.474 1.00 0.00 H
ATOM 126 HD23 LEU A 8 0.064 6.045 3.368 1.00 0.00 H
ATOM 127 N GLY A 9 -3.874 5.714 8.412 1.00 0.00 N
ATOM 128 CA GLY A 9 -4.719 6.225 9.441 1.00 0.00 C
ATOM 129 C GLY A 9 -4.624 5.383 10.669 1.00 0.00 C
ATOM 130 O GLY A 9 -4.860 5.890 11.773 1.00 0.00 O
ATOM 131 OXT GLY A 9 -4.268 4.178 10.555 1.00 0.00 O
ATOM 132 H GLY A 9 -3.748 4.757 8.265 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -4.420 7.235 9.674 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -5.742 6.226 9.093 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 4
ATOM 1 N CYS A 1 5.037 2.668 -0.464 1.00 0.00 N
ATOM 2 CA CYS A 1 3.894 1.914 0.018 1.00 0.00 C
ATOM 3 C CYS A 1 4.258 0.457 0.165 1.00 0.00 C
ATOM 4 O CYS A 1 5.361 0.042 -0.197 1.00 0.00 O
ATOM 5 CB CYS A 1 2.719 2.038 -0.952 1.00 0.00 C
ATOM 6 SG CYS A 1 2.009 3.709 -1.140 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.332 2.335 -1.402 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.837 2.505 0.175 1.00 0.00 H
ATOM 9 H3 CYS A 1 4.837 3.688 -0.506 1.00 0.00 H
ATOM 10 HA CYS A 1 3.598 2.300 0.982 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.028 1.714 -1.933 1.00 0.00 H
ATOM 12 HB3 CYS A 1 1.934 1.385 -0.603 1.00 0.00 H
ATOM 13 N TYR A 2 3.332 -0.324 0.692 1.00 0.00 N
ATOM 14 CA TYR A 2 3.499 -1.716 0.829 1.00 0.00 C
ATOM 15 C TYR A 2 2.734 -2.332 -0.314 1.00 0.00 C
ATOM 16 O TYR A 2 2.328 -1.629 -1.241 1.00 0.00 O
ATOM 17 CB TYR A 2 2.908 -2.185 2.163 1.00 0.00 C
ATOM 18 CG TYR A 2 3.446 -1.464 3.378 1.00 0.00 C
ATOM 19 CD1 TYR A 2 4.617 -1.872 3.989 1.00 0.00 C
ATOM 20 CD2 TYR A 2 2.775 -0.371 3.909 1.00 0.00 C
ATOM 21 CE1 TYR A 2 5.103 -1.211 5.094 1.00 0.00 C
ATOM 22 CE2 TYR A 2 3.254 0.290 5.010 1.00 0.00 C
ATOM 23 CZ TYR A 2 4.417 -0.132 5.600 1.00 0.00 C
ATOM 24 OH TYR A 2 4.898 0.528 6.702 1.00 0.00 O
ATOM 25 H TYR A 2 2.461 -0.006 0.996 1.00 0.00 H
ATOM 26 HA TYR A 2 4.547 -1.968 0.776 1.00 0.00 H
ATOM 27 HB2 TYR A 2 1.840 -2.039 2.127 1.00 0.00 H
ATOM 28 HB3 TYR A 2 3.109 -3.240 2.283 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.155 -2.720 3.593 1.00 0.00 H
ATOM 30 HD2 TYR A 2 1.859 -0.035 3.445 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.020 -1.547 5.554 1.00 0.00 H
ATOM 32 HE2 TYR A 2 2.710 1.138 5.402 1.00 0.00 H
ATOM 33 HH TYR A 2 4.143 0.776 7.251 1.00 0.00 H
ATOM 34 N ILE A 3 2.458 -3.575 -0.207 1.00 0.00 N
ATOM 35 CA ILE A 3 1.809 -4.306 -1.278 1.00 0.00 C
ATOM 36 C ILE A 3 0.345 -3.972 -1.365 1.00 0.00 C
ATOM 37 O ILE A 3 -0.151 -3.503 -2.383 1.00 0.00 O
ATOM 38 CB ILE A 3 2.025 -5.836 -1.166 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.524 -6.158 -1.126 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.360 -6.556 -2.328 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.836 -7.631 -0.974 1.00 0.00 C
ATOM 42 H ILE A 3 2.697 -3.989 0.646 1.00 0.00 H
ATOM 43 HA ILE A 3 2.230 -3.965 -2.198 1.00 0.00 H
ATOM 44 HB ILE A 3 1.569 -6.187 -0.255 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.984 -5.820 -2.042 1.00 0.00 H
ATOM 46 HG13 ILE A 3 3.970 -5.636 -0.293 1.00 0.00 H
ATOM 47 HG21 ILE A 3 1.773 -6.194 -3.258 1.00 0.00 H
ATOM 48 HG22 ILE A 3 0.297 -6.363 -2.306 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.542 -7.616 -2.238 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.417 -8.175 -1.807 1.00 0.00 H
ATOM 51 HD12 ILE A 3 3.401 -7.994 -0.055 1.00 0.00 H
ATOM 52 HD13 ILE A 3 4.907 -7.775 -0.948 1.00 0.00 H
ATOM 53 N GLN A 4 -0.297 -4.146 -0.298 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.734 -3.928 -0.212 1.00 0.00 C
ATOM 55 C GLN A 4 -2.036 -2.837 0.816 1.00 0.00 C
ATOM 56 O GLN A 4 -3.127 -2.741 1.372 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.427 -5.251 0.143 1.00 0.00 C
ATOM 58 CG GLN A 4 -3.944 -5.238 -0.023 1.00 0.00 C
ATOM 59 CD GLN A 4 -4.365 -4.834 -1.425 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -3.651 -5.075 -2.404 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -5.508 -4.226 -1.537 1.00 0.00 N
ATOM 62 H GLN A 4 0.278 -4.448 0.434 1.00 0.00 H
ATOM 63 HA GLN A 4 -2.077 -3.595 -1.180 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.023 -6.020 -0.498 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.196 -5.497 1.170 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -4.328 -6.224 0.189 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -4.360 -4.532 0.680 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -6.042 -4.062 -0.731 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -5.796 -3.932 -2.429 1.00 0.00 H
ATOM 70 N ASN A 5 -1.078 -1.974 1.007 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.193 -0.901 1.956 1.00 0.00 C
ATOM 72 C ASN A 5 -0.559 0.325 1.394 1.00 0.00 C
ATOM 73 O ASN A 5 0.593 0.684 1.706 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.652 -1.238 3.370 1.00 0.00 C
ATOM 75 CG ASN A 5 -1.507 -2.239 4.131 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -1.320 -3.450 4.020 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -2.439 -1.757 4.904 1.00 0.00 N
ATOM 78 H ASN A 5 -0.289 -2.010 0.433 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.251 -0.695 2.027 1.00 0.00 H
ATOM 80 HB2 ASN A 5 0.338 -1.657 3.289 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -0.600 -0.328 3.950 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.541 -0.782 4.958 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -3.006 -2.378 5.410 1.00 0.00 H
ATOM 84 N CYS A 6 -1.233 0.857 0.446 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.890 2.115 -0.153 1.00 0.00 C
ATOM 86 C CYS A 6 -2.140 2.970 -0.079 1.00 0.00 C
ATOM 87 O CYS A 6 -3.194 2.527 -0.513 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.444 1.934 -1.613 1.00 0.00 C
ATOM 89 SG CYS A 6 0.395 3.402 -2.343 1.00 0.00 S
ATOM 90 H CYS A 6 -2.018 0.362 0.121 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.100 2.562 0.433 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.229 1.093 -1.684 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -1.320 1.726 -2.210 1.00 0.00 H
ATOM 94 N PRO A 7 -2.056 4.171 0.511 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.227 5.031 0.732 1.00 0.00 C
ATOM 96 C PRO A 7 -4.037 5.307 -0.543 1.00 0.00 C
ATOM 97 O PRO A 7 -3.480 5.652 -1.586 1.00 0.00 O
ATOM 98 CB PRO A 7 -2.625 6.338 1.280 1.00 0.00 C
ATOM 99 CG PRO A 7 -1.170 6.259 0.972 1.00 0.00 C
ATOM 100 CD PRO A 7 -0.823 4.808 0.999 1.00 0.00 C
ATOM 101 HA PRO A 7 -3.878 4.601 1.477 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.087 7.180 0.789 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -2.798 6.396 2.343 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -0.982 6.666 -0.010 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -0.601 6.796 1.716 1.00 0.00 H
ATOM 106 HD2 PRO A 7 0.007 4.614 0.337 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -0.591 4.487 2.004 1.00 0.00 H
ATOM 108 N LEU A 8 -5.350 5.139 -0.454 1.00 0.00 N
ATOM 109 CA LEU A 8 -6.258 5.431 -1.580 1.00 0.00 C
ATOM 110 C LEU A 8 -6.697 6.869 -1.510 1.00 0.00 C
ATOM 111 O LEU A 8 -7.473 7.378 -2.329 1.00 0.00 O
ATOM 112 CB LEU A 8 -7.485 4.513 -1.607 1.00 0.00 C
ATOM 113 CG LEU A 8 -7.265 3.030 -1.948 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -6.583 2.278 -0.822 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -8.570 2.368 -2.319 1.00 0.00 C
ATOM 116 H LEU A 8 -5.723 4.795 0.387 1.00 0.00 H
ATOM 117 HA LEU A 8 -5.680 5.304 -2.479 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -7.947 4.566 -0.631 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -8.166 4.944 -2.324 1.00 0.00 H
ATOM 120 HG LEU A 8 -6.613 2.978 -2.807 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -5.621 2.727 -0.620 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -6.446 1.248 -1.113 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -7.196 2.323 0.066 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -9.000 2.870 -3.173 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -9.251 2.431 -1.484 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -8.391 1.331 -2.560 1.00 0.00 H
ATOM 127 N GLY A 9 -6.200 7.475 -0.534 1.00 0.00 N
ATOM 128 CA GLY A 9 -6.410 8.819 -0.232 1.00 0.00 C
ATOM 129 C GLY A 9 -5.597 9.096 0.960 1.00 0.00 C
ATOM 130 O GLY A 9 -5.149 10.233 1.163 1.00 0.00 O
ATOM 131 OXT GLY A 9 -5.347 8.137 1.711 1.00 0.00 O
ATOM 132 H GLY A 9 -5.620 6.946 0.050 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -6.102 9.438 -1.063 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -7.448 8.991 0.006 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 5
ATOM 1 N CYS A 1 5.470 2.673 -0.428 1.00 0.00 N
ATOM 2 CA CYS A 1 4.866 1.538 0.253 1.00 0.00 C
ATOM 3 C CYS A 1 4.710 0.388 -0.722 1.00 0.00 C
ATOM 4 O CYS A 1 4.463 0.608 -1.902 1.00 0.00 O
ATOM 5 CB CYS A 1 3.515 1.943 0.847 1.00 0.00 C
ATOM 6 SG CYS A 1 2.365 2.710 -0.341 1.00 0.00 S
ATOM 7 H1 CYS A 1 4.867 2.928 -1.236 1.00 0.00 H
ATOM 8 H2 CYS A 1 6.410 2.408 -0.780 1.00 0.00 H
ATOM 9 H3 CYS A 1 5.561 3.495 0.200 1.00 0.00 H
ATOM 10 HA CYS A 1 5.528 1.230 1.047 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.030 1.065 1.244 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.677 2.648 1.648 1.00 0.00 H
ATOM 13 N TYR A 2 4.889 -0.830 -0.251 1.00 0.00 N
ATOM 14 CA TYR A 2 4.785 -2.001 -1.097 1.00 0.00 C
ATOM 15 C TYR A 2 3.666 -2.925 -0.636 1.00 0.00 C
ATOM 16 O TYR A 2 3.558 -4.072 -1.084 1.00 0.00 O
ATOM 17 CB TYR A 2 6.127 -2.745 -1.153 1.00 0.00 C
ATOM 18 CG TYR A 2 6.762 -3.052 0.197 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.300 -4.083 1.000 1.00 0.00 C
ATOM 20 CD2 TYR A 2 7.839 -2.309 0.653 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.888 -4.358 2.210 1.00 0.00 C
ATOM 22 CE2 TYR A 2 8.432 -2.577 1.860 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.957 -3.599 2.636 1.00 0.00 C
ATOM 24 OH TYR A 2 8.551 -3.866 3.840 1.00 0.00 O
ATOM 25 H TYR A 2 5.118 -0.975 0.693 1.00 0.00 H
ATOM 26 HA TYR A 2 4.549 -1.654 -2.091 1.00 0.00 H
ATOM 27 HB2 TYR A 2 5.971 -3.687 -1.653 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.824 -2.154 -1.725 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.462 -4.676 0.668 1.00 0.00 H
ATOM 30 HD2 TYR A 2 8.217 -1.502 0.046 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.500 -5.168 2.809 1.00 0.00 H
ATOM 32 HE2 TYR A 2 9.269 -1.976 2.185 1.00 0.00 H
ATOM 33 HH TYR A 2 8.690 -3.034 4.309 1.00 0.00 H
ATOM 34 N ILE A 3 2.836 -2.425 0.238 1.00 0.00 N
ATOM 35 CA ILE A 3 1.746 -3.168 0.756 1.00 0.00 C
ATOM 36 C ILE A 3 0.479 -2.732 0.069 1.00 0.00 C
ATOM 37 O ILE A 3 0.267 -1.551 -0.176 1.00 0.00 O
ATOM 38 CB ILE A 3 1.604 -3.015 2.293 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.531 -1.526 2.707 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.737 -3.741 3.006 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.300 -1.296 4.185 1.00 0.00 C
ATOM 42 H ILE A 3 2.908 -1.499 0.527 1.00 0.00 H
ATOM 43 HA ILE A 3 1.921 -4.209 0.527 1.00 0.00 H
ATOM 44 HB ILE A 3 0.683 -3.498 2.577 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.458 -1.039 2.442 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.724 -1.055 2.166 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.627 -3.611 4.073 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.685 -3.333 2.689 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.700 -4.793 2.767 1.00 0.00 H
ATOM 50 HD11 ILE A 3 0.357 -1.739 4.472 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.274 -0.236 4.385 1.00 0.00 H
ATOM 52 HD13 ILE A 3 2.098 -1.753 4.751 1.00 0.00 H
ATOM 53 N GLN A 4 -0.351 -3.673 -0.215 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.610 -3.447 -0.931 1.00 0.00 C
ATOM 55 C GLN A 4 -2.725 -2.927 -0.028 1.00 0.00 C
ATOM 56 O GLN A 4 -3.889 -2.858 -0.414 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.046 -4.696 -1.683 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.141 -5.069 -2.842 1.00 0.00 C
ATOM 59 CD GLN A 4 -0.989 -3.934 -3.829 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -1.778 -3.787 -4.755 1.00 0.00 O
ATOM 61 NE2 GLN A 4 0.027 -3.133 -3.657 1.00 0.00 N
ATOM 62 H GLN A 4 -0.082 -4.568 0.080 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.404 -2.672 -1.652 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.063 -5.525 -0.993 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.040 -4.531 -2.071 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -0.164 -5.314 -2.453 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -1.553 -5.925 -3.356 1.00 0.00 H
ATOM 68 HE21 GLN A 4 0.643 -3.290 -2.912 1.00 0.00 H
ATOM 69 HE22 GLN A 4 0.146 -2.387 -4.282 1.00 0.00 H
ATOM 70 N ASN A 5 -2.362 -2.584 1.164 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.259 -1.935 2.101 1.00 0.00 C
ATOM 72 C ASN A 5 -2.674 -0.596 2.466 1.00 0.00 C
ATOM 73 O ASN A 5 -2.928 -0.053 3.536 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.488 -2.794 3.358 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.370 -4.007 3.099 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -3.891 -5.081 2.729 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -5.650 -3.864 3.316 1.00 0.00 N
ATOM 78 H ASN A 5 -1.441 -2.796 1.424 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.198 -1.776 1.593 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -2.535 -3.139 3.727 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.958 -2.184 4.116 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -5.969 -2.993 3.638 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -6.247 -4.623 3.148 1.00 0.00 H
ATOM 84 N CYS A 6 -1.895 -0.060 1.551 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.248 1.220 1.733 1.00 0.00 C
ATOM 86 C CYS A 6 -2.289 2.332 1.748 1.00 0.00 C
ATOM 87 O CYS A 6 -3.140 2.391 0.855 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.241 1.469 0.602 1.00 0.00 C
ATOM 89 SG CYS A 6 0.692 3.034 0.753 1.00 0.00 S
ATOM 90 H CYS A 6 -1.766 -0.537 0.704 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.716 1.194 2.673 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.477 0.663 0.581 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.772 1.492 -0.338 1.00 0.00 H
ATOM 94 N PRO A 7 -2.283 3.197 2.779 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.184 4.333 2.843 1.00 0.00 C
ATOM 96 C PRO A 7 -2.903 5.304 1.715 1.00 0.00 C
ATOM 97 O PRO A 7 -1.911 6.031 1.732 1.00 0.00 O
ATOM 98 CB PRO A 7 -2.882 4.990 4.195 1.00 0.00 C
ATOM 99 CG PRO A 7 -2.142 3.962 4.964 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.413 3.128 3.957 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.215 4.018 2.802 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -2.280 5.873 4.036 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -3.804 5.263 4.684 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -1.442 4.443 5.630 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -2.836 3.354 5.526 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -0.440 3.543 3.744 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.329 2.112 4.317 1.00 0.00 H
ATOM 108 N LEU A 8 -3.733 5.267 0.713 1.00 0.00 N
ATOM 109 CA LEU A 8 -3.567 6.129 -0.440 1.00 0.00 C
ATOM 110 C LEU A 8 -4.584 7.240 -0.413 1.00 0.00 C
ATOM 111 O LEU A 8 -4.626 8.119 -1.279 1.00 0.00 O
ATOM 112 CB LEU A 8 -3.673 5.328 -1.719 1.00 0.00 C
ATOM 113 CG LEU A 8 -2.629 4.220 -1.931 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -2.891 3.481 -3.231 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -1.216 4.790 -1.918 1.00 0.00 C
ATOM 116 H LEU A 8 -4.468 4.614 0.741 1.00 0.00 H
ATOM 117 HA LEU A 8 -2.592 6.573 -0.367 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -4.655 4.882 -1.740 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -3.603 6.042 -2.522 1.00 0.00 H
ATOM 120 HG LEU A 8 -2.716 3.505 -1.124 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -3.873 3.034 -3.203 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -2.147 2.709 -3.363 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -2.837 4.177 -4.056 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -1.012 5.242 -0.960 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -1.122 5.530 -2.698 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -0.508 3.992 -2.095 1.00 0.00 H
ATOM 127 N GLY A 9 -5.368 7.177 0.571 1.00 0.00 N
ATOM 128 CA GLY A 9 -6.392 8.129 0.824 1.00 0.00 C
ATOM 129 C GLY A 9 -7.488 7.478 1.596 1.00 0.00 C
ATOM 130 O GLY A 9 -8.639 7.922 1.525 1.00 0.00 O
ATOM 131 OXT GLY A 9 -7.221 6.457 2.260 1.00 0.00 O
ATOM 132 H GLY A 9 -5.224 6.409 1.156 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -5.981 8.952 1.391 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -6.789 8.495 -0.112 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 6
ATOM 1 N CYS A 1 5.317 2.813 -0.360 1.00 0.00 N
ATOM 2 CA CYS A 1 5.029 1.585 0.373 1.00 0.00 C
ATOM 3 C CYS A 1 4.683 0.470 -0.596 1.00 0.00 C
ATOM 4 O CYS A 1 4.059 0.710 -1.630 1.00 0.00 O
ATOM 5 CB CYS A 1 3.854 1.813 1.333 1.00 0.00 C
ATOM 6 SG CYS A 1 2.369 2.515 0.532 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.587 3.587 0.280 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.473 3.100 -0.893 1.00 0.00 H
ATOM 9 H3 CYS A 1 6.081 2.648 -1.048 1.00 0.00 H
ATOM 10 HA CYS A 1 5.902 1.308 0.942 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.567 0.865 1.764 1.00 0.00 H
ATOM 12 HB3 CYS A 1 4.149 2.483 2.127 1.00 0.00 H
ATOM 13 N TYR A 2 5.096 -0.735 -0.282 1.00 0.00 N
ATOM 14 CA TYR A 2 4.763 -1.879 -1.079 1.00 0.00 C
ATOM 15 C TYR A 2 3.925 -2.838 -0.256 1.00 0.00 C
ATOM 16 O TYR A 2 4.429 -3.785 0.337 1.00 0.00 O
ATOM 17 CB TYR A 2 6.015 -2.565 -1.687 1.00 0.00 C
ATOM 18 CG TYR A 2 5.729 -3.871 -2.438 1.00 0.00 C
ATOM 19 CD1 TYR A 2 5.076 -3.878 -3.666 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.112 -5.095 -1.898 1.00 0.00 C
ATOM 21 CE1 TYR A 2 4.811 -5.069 -4.324 1.00 0.00 C
ATOM 22 CE2 TYR A 2 5.854 -6.278 -2.548 1.00 0.00 C
ATOM 23 CZ TYR A 2 5.204 -6.263 -3.757 1.00 0.00 C
ATOM 24 OH TYR A 2 4.943 -7.449 -4.400 1.00 0.00 O
ATOM 25 H TYR A 2 5.626 -0.877 0.532 1.00 0.00 H
ATOM 26 HA TYR A 2 4.136 -1.515 -1.881 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.487 -1.885 -2.381 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.709 -2.786 -0.890 1.00 0.00 H
ATOM 29 HD1 TYR A 2 4.769 -2.942 -4.110 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.624 -5.113 -0.949 1.00 0.00 H
ATOM 31 HE1 TYR A 2 4.304 -5.060 -5.277 1.00 0.00 H
ATOM 32 HE2 TYR A 2 6.163 -7.211 -2.100 1.00 0.00 H
ATOM 33 HH TYR A 2 4.579 -8.074 -3.759 1.00 0.00 H
ATOM 34 N ILE A 3 2.678 -2.501 -0.122 1.00 0.00 N
ATOM 35 CA ILE A 3 1.694 -3.299 0.522 1.00 0.00 C
ATOM 36 C ILE A 3 0.407 -3.045 -0.202 1.00 0.00 C
ATOM 37 O ILE A 3 0.280 -2.032 -0.889 1.00 0.00 O
ATOM 38 CB ILE A 3 1.520 -2.973 2.037 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.457 -1.460 2.292 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.576 -3.658 2.900 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.217 -1.069 3.733 1.00 0.00 C
ATOM 42 H ILE A 3 2.331 -1.652 -0.466 1.00 0.00 H
ATOM 43 HA ILE A 3 1.966 -4.336 0.397 1.00 0.00 H
ATOM 44 HB ILE A 3 0.563 -3.397 2.285 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.393 -1.018 1.987 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.662 -1.039 1.694 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.423 -3.391 3.935 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.560 -3.340 2.588 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.495 -4.730 2.791 1.00 0.00 H
ATOM 50 HD11 ILE A 3 2.014 -1.459 4.348 1.00 0.00 H
ATOM 51 HD12 ILE A 3 0.274 -1.480 4.062 1.00 0.00 H
ATOM 52 HD13 ILE A 3 1.189 0.007 3.815 1.00 0.00 H
ATOM 53 N GLN A 4 -0.538 -3.907 -0.051 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.804 -3.777 -0.761 1.00 0.00 C
ATOM 55 C GLN A 4 -2.777 -2.959 0.053 1.00 0.00 C
ATOM 56 O GLN A 4 -3.915 -2.735 -0.339 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.388 -5.143 -1.053 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.474 -6.055 -1.840 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.076 -7.418 -2.030 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -1.889 -8.311 -1.198 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -2.772 -7.604 -3.114 1.00 0.00 N
ATOM 62 H GLN A 4 -0.408 -4.657 0.570 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.611 -3.262 -1.687 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.611 -5.626 -0.114 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.306 -5.019 -1.610 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.287 -5.616 -2.809 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.541 -6.159 -1.305 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -2.861 -6.857 -3.747 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -3.183 -8.482 -3.261 1.00 0.00 H
ATOM 70 N ASN A 5 -2.316 -2.513 1.177 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.124 -1.732 2.090 1.00 0.00 C
ATOM 72 C ASN A 5 -2.564 -0.329 2.231 1.00 0.00 C
ATOM 73 O ASN A 5 -2.709 0.313 3.272 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.251 -2.419 3.469 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.067 -3.717 3.443 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -4.071 -4.454 2.469 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.788 -3.983 4.494 1.00 0.00 N
ATOM 78 H ASN A 5 -1.391 -2.756 1.386 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.108 -1.655 1.651 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -2.260 -2.662 3.825 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.716 -1.735 4.163 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -4.777 -3.350 5.245 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -5.331 -4.798 4.471 1.00 0.00 H
ATOM 84 N CYS A 6 -1.925 0.143 1.178 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.435 1.515 1.128 1.00 0.00 C
ATOM 86 C CYS A 6 -2.611 2.483 0.975 1.00 0.00 C
ATOM 87 O CYS A 6 -3.650 2.108 0.408 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.473 1.715 -0.061 1.00 0.00 C
ATOM 89 SG CYS A 6 1.161 0.936 0.116 1.00 0.00 S
ATOM 90 H CYS A 6 -1.788 -0.441 0.403 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.906 1.721 2.047 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.928 1.303 -0.950 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.321 2.774 -0.209 1.00 0.00 H
ATOM 94 N PRO A 7 -2.507 3.712 1.526 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.509 4.753 1.307 1.00 0.00 C
ATOM 96 C PRO A 7 -3.589 5.075 -0.186 1.00 0.00 C
ATOM 97 O PRO A 7 -2.642 5.605 -0.772 1.00 0.00 O
ATOM 98 CB PRO A 7 -2.979 5.966 2.094 1.00 0.00 C
ATOM 99 CG PRO A 7 -1.547 5.662 2.375 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.433 4.166 2.427 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.482 4.451 1.669 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.081 6.857 1.490 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -3.541 6.083 3.007 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -0.930 6.057 1.581 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -1.257 6.095 3.322 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -0.468 3.848 2.062 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.598 3.807 3.432 1.00 0.00 H
ATOM 108 N LEU A 8 -4.678 4.702 -0.798 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.844 4.847 -2.233 1.00 0.00 C
ATOM 110 C LEU A 8 -6.165 5.494 -2.548 1.00 0.00 C
ATOM 111 O LEU A 8 -6.709 5.374 -3.650 1.00 0.00 O
ATOM 112 CB LEU A 8 -4.798 3.491 -2.881 1.00 0.00 C
ATOM 113 CG LEU A 8 -3.471 2.721 -2.824 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -3.641 1.335 -3.398 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -2.386 3.457 -3.575 1.00 0.00 C
ATOM 116 H LEU A 8 -5.412 4.303 -0.278 1.00 0.00 H
ATOM 117 HA LEU A 8 -4.037 5.448 -2.624 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -5.568 2.888 -2.421 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -5.071 3.707 -3.897 1.00 0.00 H
ATOM 120 HG LEU A 8 -3.165 2.622 -1.793 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -2.703 0.802 -3.338 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -3.946 1.407 -4.432 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -4.394 0.804 -2.838 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -1.467 2.898 -3.512 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -2.242 4.436 -3.142 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -2.673 3.557 -4.611 1.00 0.00 H
ATOM 127 N GLY A 9 -6.646 6.176 -1.607 1.00 0.00 N
ATOM 128 CA GLY A 9 -7.895 6.854 -1.702 1.00 0.00 C
ATOM 129 C GLY A 9 -8.069 7.729 -0.510 1.00 0.00 C
ATOM 130 O GLY A 9 -9.208 7.938 -0.059 1.00 0.00 O
ATOM 131 OXT GLY A 9 -7.037 8.190 0.031 1.00 0.00 O
ATOM 132 H GLY A 9 -6.104 6.232 -0.797 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -7.910 7.452 -2.601 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -8.698 6.133 -1.732 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 7
ATOM 1 N CYS A 1 5.252 2.627 0.110 1.00 0.00 N
ATOM 2 CA CYS A 1 4.431 1.471 0.438 1.00 0.00 C
ATOM 3 C CYS A 1 4.526 0.432 -0.664 1.00 0.00 C
ATOM 4 O CYS A 1 4.537 0.782 -1.842 1.00 0.00 O
ATOM 5 CB CYS A 1 2.980 1.903 0.610 1.00 0.00 C
ATOM 6 SG CYS A 1 2.717 3.172 1.902 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.215 3.323 0.881 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.895 3.066 -0.762 1.00 0.00 H
ATOM 9 H3 CYS A 1 6.234 2.332 -0.045 1.00 0.00 H
ATOM 10 HA CYS A 1 4.786 1.039 1.361 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.622 2.293 -0.329 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.391 1.037 0.865 1.00 0.00 H
ATOM 13 N TYR A 2 4.632 -0.840 -0.294 1.00 0.00 N
ATOM 14 CA TYR A 2 4.680 -1.898 -1.264 1.00 0.00 C
ATOM 15 C TYR A 2 3.672 -2.994 -0.925 1.00 0.00 C
ATOM 16 O TYR A 2 3.604 -4.025 -1.583 1.00 0.00 O
ATOM 17 CB TYR A 2 6.101 -2.458 -1.415 1.00 0.00 C
ATOM 18 CG TYR A 2 6.663 -3.226 -0.229 1.00 0.00 C
ATOM 19 CD1 TYR A 2 7.261 -2.577 0.838 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.609 -4.614 -0.201 1.00 0.00 C
ATOM 21 CE1 TYR A 2 7.783 -3.291 1.898 1.00 0.00 C
ATOM 22 CE2 TYR A 2 7.128 -5.329 0.850 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.714 -4.664 1.899 1.00 0.00 C
ATOM 24 OH TYR A 2 8.236 -5.371 2.950 1.00 0.00 O
ATOM 25 H TYR A 2 4.698 -1.095 0.649 1.00 0.00 H
ATOM 26 HA TYR A 2 4.372 -1.466 -2.202 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.061 -3.155 -2.232 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.781 -1.654 -1.661 1.00 0.00 H
ATOM 29 HD1 TYR A 2 7.315 -1.499 0.838 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.145 -5.137 -1.025 1.00 0.00 H
ATOM 31 HE1 TYR A 2 8.244 -2.768 2.722 1.00 0.00 H
ATOM 32 HE2 TYR A 2 7.065 -6.408 0.838 1.00 0.00 H
ATOM 33 HH TYR A 2 7.936 -4.956 3.768 1.00 0.00 H
ATOM 34 N ILE A 3 2.889 -2.758 0.090 1.00 0.00 N
ATOM 35 CA ILE A 3 1.869 -3.676 0.488 1.00 0.00 C
ATOM 36 C ILE A 3 0.588 -3.120 -0.109 1.00 0.00 C
ATOM 37 O ILE A 3 0.539 -1.959 -0.510 1.00 0.00 O
ATOM 38 CB ILE A 3 1.742 -3.757 2.061 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.114 -3.918 2.742 1.00 0.00 C
ATOM 40 CG2 ILE A 3 0.800 -4.876 2.528 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.844 -5.195 2.389 1.00 0.00 C
ATOM 42 H ILE A 3 2.949 -1.911 0.571 1.00 0.00 H
ATOM 43 HA ILE A 3 2.081 -4.652 0.073 1.00 0.00 H
ATOM 44 HB ILE A 3 1.290 -2.837 2.370 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.760 -3.109 2.442 1.00 0.00 H
ATOM 46 HG13 ILE A 3 2.984 -3.895 3.813 1.00 0.00 H
ATOM 47 HG21 ILE A 3 0.831 -4.928 3.608 1.00 0.00 H
ATOM 48 HG22 ILE A 3 1.116 -5.820 2.114 1.00 0.00 H
ATOM 49 HG23 ILE A 3 -0.210 -4.654 2.219 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.992 -5.238 1.320 1.00 0.00 H
ATOM 51 HD12 ILE A 3 3.259 -6.044 2.706 1.00 0.00 H
ATOM 52 HD13 ILE A 3 4.805 -5.209 2.882 1.00 0.00 H
ATOM 53 N GLN A 4 -0.410 -3.890 -0.107 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.678 -3.556 -0.749 1.00 0.00 C
ATOM 55 C GLN A 4 -2.639 -2.902 0.243 1.00 0.00 C
ATOM 56 O GLN A 4 -3.866 -3.053 0.157 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.291 -4.811 -1.363 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.438 -5.435 -2.465 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.201 -4.496 -3.632 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -0.230 -3.741 -3.649 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -2.064 -4.544 -4.604 1.00 0.00 N
ATOM 62 H GLN A 4 -0.262 -4.712 0.399 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.462 -2.853 -1.539 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.417 -5.547 -0.583 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.254 -4.559 -1.777 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -0.478 -5.702 -2.048 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -1.928 -6.325 -2.831 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -2.815 -5.171 -4.544 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -1.933 -3.957 -5.380 1.00 0.00 H
ATOM 70 N ASN A 5 -2.076 -2.148 1.157 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.839 -1.425 2.166 1.00 0.00 C
ATOM 72 C ASN A 5 -2.430 0.034 2.157 1.00 0.00 C
ATOM 73 O ASN A 5 -2.726 0.787 3.085 1.00 0.00 O
ATOM 74 CB ASN A 5 -2.618 -2.016 3.576 1.00 0.00 C
ATOM 75 CG ASN A 5 -3.176 -3.420 3.756 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -2.490 -4.415 3.500 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.398 -3.520 4.216 1.00 0.00 N
ATOM 78 H ASN A 5 -1.099 -2.063 1.139 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.883 -1.493 1.907 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -1.559 -2.055 3.775 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.086 -1.368 4.300 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -4.890 -2.695 4.422 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -4.788 -4.411 4.354 1.00 0.00 H
ATOM 84 N CYS A 6 -1.785 0.436 1.085 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.261 1.784 0.943 1.00 0.00 C
ATOM 86 C CYS A 6 -0.811 2.015 -0.500 1.00 0.00 C
ATOM 87 O CYS A 6 0.061 1.294 -1.013 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.091 2.007 1.913 1.00 0.00 C
ATOM 89 SG CYS A 6 0.743 3.623 1.763 1.00 0.00 S
ATOM 90 H CYS A 6 -1.683 -0.177 0.324 1.00 0.00 H
ATOM 91 HA CYS A 6 -2.056 2.473 1.183 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.464 1.931 2.924 1.00 0.00 H
ATOM 93 HB3 CYS A 6 0.644 1.233 1.754 1.00 0.00 H
ATOM 94 N PRO A 7 -1.405 2.996 -1.183 1.00 0.00 N
ATOM 95 CA PRO A 7 -1.093 3.283 -2.572 1.00 0.00 C
ATOM 96 C PRO A 7 0.161 4.155 -2.739 1.00 0.00 C
ATOM 97 O PRO A 7 0.730 4.668 -1.762 1.00 0.00 O
ATOM 98 CB PRO A 7 -2.332 4.041 -3.042 1.00 0.00 C
ATOM 99 CG PRO A 7 -2.791 4.779 -1.834 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.442 3.910 -0.653 1.00 0.00 C
ATOM 101 HA PRO A 7 -0.989 2.376 -3.147 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -2.063 4.713 -3.843 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -3.081 3.342 -3.383 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -2.280 5.727 -1.766 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.858 4.931 -1.881 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -2.048 4.507 0.156 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -3.310 3.355 -0.330 1.00 0.00 H
ATOM 108 N LEU A 8 0.599 4.299 -3.973 1.00 0.00 N
ATOM 109 CA LEU A 8 1.745 5.145 -4.293 1.00 0.00 C
ATOM 110 C LEU A 8 1.289 6.432 -4.909 1.00 0.00 C
ATOM 111 O LEU A 8 2.077 7.313 -5.230 1.00 0.00 O
ATOM 112 CB LEU A 8 2.747 4.457 -5.226 1.00 0.00 C
ATOM 113 CG LEU A 8 3.579 3.291 -4.669 1.00 0.00 C
ATOM 114 CD1 LEU A 8 2.723 2.067 -4.379 1.00 0.00 C
ATOM 115 CD2 LEU A 8 4.701 2.950 -5.628 1.00 0.00 C
ATOM 116 H LEU A 8 0.163 3.801 -4.698 1.00 0.00 H
ATOM 117 HA LEU A 8 2.224 5.387 -3.362 1.00 0.00 H
ATOM 118 HB2 LEU A 8 2.190 4.088 -6.075 1.00 0.00 H
ATOM 119 HB3 LEU A 8 3.414 5.229 -5.578 1.00 0.00 H
ATOM 120 HG LEU A 8 4.027 3.600 -3.736 1.00 0.00 H
ATOM 121 HD11 LEU A 8 2.271 1.716 -5.293 1.00 0.00 H
ATOM 122 HD12 LEU A 8 1.946 2.336 -3.678 1.00 0.00 H
ATOM 123 HD13 LEU A 8 3.336 1.287 -3.950 1.00 0.00 H
ATOM 124 HD21 LEU A 8 4.284 2.665 -6.583 1.00 0.00 H
ATOM 125 HD22 LEU A 8 5.279 2.131 -5.230 1.00 0.00 H
ATOM 126 HD23 LEU A 8 5.339 3.811 -5.756 1.00 0.00 H
ATOM 127 N GLY A 9 0.039 6.513 -5.058 1.00 0.00 N
ATOM 128 CA GLY A 9 -0.587 7.633 -5.650 1.00 0.00 C
ATOM 129 C GLY A 9 -1.737 7.168 -6.454 1.00 0.00 C
ATOM 130 O GLY A 9 -2.304 6.107 -6.103 1.00 0.00 O
ATOM 131 OXT GLY A 9 -2.098 7.820 -7.448 1.00 0.00 O
ATOM 132 H GLY A 9 -0.475 5.744 -4.747 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -0.927 8.304 -4.879 1.00 0.00 H
ATOM 134 HA3 GLY A 9 0.112 8.138 -6.299 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 8
ATOM 1 N CYS A 1 5.244 2.325 -0.535 1.00 0.00 N
ATOM 2 CA CYS A 1 4.068 1.780 0.113 1.00 0.00 C
ATOM 3 C CYS A 1 4.164 0.270 0.113 1.00 0.00 C
ATOM 4 O CYS A 1 4.954 -0.299 -0.650 1.00 0.00 O
ATOM 5 CB CYS A 1 2.792 2.250 -0.621 1.00 0.00 C
ATOM 6 SG CYS A 1 2.731 1.856 -2.404 1.00 0.00 S
ATOM 7 H1 CYS A 1 6.088 2.015 -0.013 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.222 3.362 -0.546 1.00 0.00 H
ATOM 9 H3 CYS A 1 5.309 1.960 -1.505 1.00 0.00 H
ATOM 10 HA CYS A 1 4.050 2.133 1.133 1.00 0.00 H
ATOM 11 HB2 CYS A 1 1.934 1.774 -0.172 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.690 3.320 -0.521 1.00 0.00 H
ATOM 13 N TYR A 2 3.399 -0.384 0.960 1.00 0.00 N
ATOM 14 CA TYR A 2 3.378 -1.773 1.022 1.00 0.00 C
ATOM 15 C TYR A 2 2.351 -2.189 0.030 1.00 0.00 C
ATOM 16 O TYR A 2 1.366 -1.491 -0.163 1.00 0.00 O
ATOM 17 CB TYR A 2 2.986 -2.269 2.421 1.00 0.00 C
ATOM 18 CG TYR A 2 3.786 -1.675 3.566 1.00 0.00 C
ATOM 19 CD1 TYR A 2 5.094 -2.062 3.806 1.00 0.00 C
ATOM 20 CD2 TYR A 2 3.213 -0.744 4.426 1.00 0.00 C
ATOM 21 CE1 TYR A 2 5.811 -1.542 4.863 1.00 0.00 C
ATOM 22 CE2 TYR A 2 3.926 -0.216 5.481 1.00 0.00 C
ATOM 23 CZ TYR A 2 5.221 -0.618 5.696 1.00 0.00 C
ATOM 24 OH TYR A 2 5.921 -0.106 6.752 1.00 0.00 O
ATOM 25 H TYR A 2 2.753 0.035 1.551 1.00 0.00 H
ATOM 26 HA TYR A 2 4.352 -2.152 0.752 1.00 0.00 H
ATOM 27 HB2 TYR A 2 1.942 -2.066 2.600 1.00 0.00 H
ATOM 28 HB3 TYR A 2 3.129 -3.339 2.449 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.558 -2.781 3.150 1.00 0.00 H
ATOM 30 HD2 TYR A 2 2.195 -0.425 4.262 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.830 -1.862 5.028 1.00 0.00 H
ATOM 32 HE2 TYR A 2 3.464 0.511 6.134 1.00 0.00 H
ATOM 33 HH TYR A 2 6.810 0.137 6.468 1.00 0.00 H
ATOM 34 N ILE A 3 2.572 -3.290 -0.544 1.00 0.00 N
ATOM 35 CA ILE A 3 1.755 -3.853 -1.656 1.00 0.00 C
ATOM 36 C ILE A 3 0.261 -3.841 -1.373 1.00 0.00 C
ATOM 37 O ILE A 3 -0.563 -3.481 -2.223 1.00 0.00 O
ATOM 38 CB ILE A 3 2.224 -5.286 -2.080 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.679 -5.250 -2.574 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.307 -5.877 -3.162 1.00 0.00 C
ATOM 41 CD1 ILE A 3 4.237 -6.603 -2.982 1.00 0.00 C
ATOM 42 H ILE A 3 3.356 -3.710 -0.141 1.00 0.00 H
ATOM 43 HA ILE A 3 1.888 -3.192 -2.484 1.00 0.00 H
ATOM 44 HB ILE A 3 2.168 -5.927 -1.211 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.734 -4.606 -3.439 1.00 0.00 H
ATOM 46 HG13 ILE A 3 4.310 -4.847 -1.797 1.00 0.00 H
ATOM 47 HG21 ILE A 3 1.327 -5.240 -4.034 1.00 0.00 H
ATOM 48 HG22 ILE A 3 0.297 -5.936 -2.787 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.653 -6.865 -3.426 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.652 -7.002 -3.797 1.00 0.00 H
ATOM 51 HD12 ILE A 3 4.194 -7.282 -2.145 1.00 0.00 H
ATOM 52 HD13 ILE A 3 5.264 -6.492 -3.295 1.00 0.00 H
ATOM 53 N GLN A 4 -0.053 -4.163 -0.201 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.436 -4.246 0.243 1.00 0.00 C
ATOM 55 C GLN A 4 -1.861 -2.995 1.003 1.00 0.00 C
ATOM 56 O GLN A 4 -2.945 -2.944 1.579 1.00 0.00 O
ATOM 57 CB GLN A 4 -1.636 -5.476 1.114 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.373 -6.796 0.405 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.453 -7.992 1.340 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -1.843 -9.088 0.936 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.057 -7.817 2.571 1.00 0.00 N
ATOM 62 H GLN A 4 0.731 -4.347 0.359 1.00 0.00 H
ATOM 63 HA GLN A 4 -2.056 -4.334 -0.632 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -0.968 -5.404 1.957 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.655 -5.482 1.476 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -2.108 -6.925 -0.377 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.387 -6.764 -0.034 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -0.720 -6.938 2.853 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -1.099 -8.578 3.187 1.00 0.00 H
ATOM 70 N ASN A 5 -1.032 -1.990 0.981 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.302 -0.761 1.720 1.00 0.00 C
ATOM 72 C ASN A 5 -1.040 0.464 0.860 1.00 0.00 C
ATOM 73 O ASN A 5 -0.816 1.558 1.382 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.452 -0.670 3.006 1.00 0.00 C
ATOM 75 CG ASN A 5 -0.683 -1.803 3.999 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -0.023 -2.835 3.939 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -1.591 -1.617 4.914 1.00 0.00 N
ATOM 78 H ASN A 5 -0.212 -2.071 0.445 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.344 -0.774 1.993 1.00 0.00 H
ATOM 80 HB2 ASN A 5 0.590 -0.663 2.733 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -0.680 0.264 3.497 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.089 -0.771 4.929 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -1.735 -2.330 5.571 1.00 0.00 H
ATOM 84 N CYS A 6 -1.051 0.295 -0.437 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.900 1.427 -1.343 1.00 0.00 C
ATOM 86 C CYS A 6 -2.292 1.979 -1.631 1.00 0.00 C
ATOM 87 O CYS A 6 -3.091 1.308 -2.286 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.217 1.021 -2.670 1.00 0.00 C
ATOM 89 SG CYS A 6 1.452 0.281 -2.514 1.00 0.00 S
ATOM 90 H CYS A 6 -1.193 -0.604 -0.795 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.308 2.177 -0.839 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.837 0.300 -3.181 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.126 1.898 -3.292 1.00 0.00 H
ATOM 94 N PRO A 7 -2.637 3.163 -1.107 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.959 3.735 -1.301 1.00 0.00 C
ATOM 96 C PRO A 7 -4.151 4.237 -2.727 1.00 0.00 C
ATOM 97 O PRO A 7 -3.288 4.933 -3.273 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.009 4.916 -0.310 1.00 0.00 C
ATOM 99 CG PRO A 7 -2.787 4.787 0.531 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.786 4.047 -0.301 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.732 3.022 -1.060 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -4.014 5.845 -0.860 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -4.905 4.849 0.289 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -2.411 5.766 0.789 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.018 4.228 1.424 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.226 4.730 -0.923 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.133 3.480 0.344 1.00 0.00 H
ATOM 108 N LEU A 8 -5.265 3.880 -3.337 1.00 0.00 N
ATOM 109 CA LEU A 8 -5.575 4.337 -4.700 1.00 0.00 C
ATOM 110 C LEU A 8 -6.321 5.651 -4.648 1.00 0.00 C
ATOM 111 O LEU A 8 -6.639 6.274 -5.665 1.00 0.00 O
ATOM 112 CB LEU A 8 -6.369 3.302 -5.520 1.00 0.00 C
ATOM 113 CG LEU A 8 -5.636 2.016 -5.977 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -5.296 1.098 -4.812 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -6.462 1.275 -7.014 1.00 0.00 C
ATOM 116 H LEU A 8 -5.895 3.295 -2.861 1.00 0.00 H
ATOM 117 HA LEU A 8 -4.629 4.532 -5.169 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -7.220 3.002 -4.928 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -6.739 3.817 -6.394 1.00 0.00 H
ATOM 120 HG LEU A 8 -4.704 2.303 -6.441 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -4.780 0.226 -5.183 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -6.206 0.794 -4.317 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -4.661 1.623 -4.114 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -7.413 1.000 -6.585 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -5.935 0.383 -7.321 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -6.623 1.912 -7.872 1.00 0.00 H
ATOM 127 N GLY A 9 -6.578 6.038 -3.472 1.00 0.00 N
ATOM 128 CA GLY A 9 -7.246 7.256 -3.171 1.00 0.00 C
ATOM 129 C GLY A 9 -7.110 7.535 -1.711 1.00 0.00 C
ATOM 130 O GLY A 9 -6.146 8.202 -1.308 1.00 0.00 O
ATOM 131 OXT GLY A 9 -7.932 7.018 -0.919 1.00 0.00 O
ATOM 132 H GLY A 9 -6.277 5.425 -2.770 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -6.803 8.061 -3.741 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -8.294 7.169 -3.415 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 9
ATOM 1 N CYS A 1 5.772 2.342 -0.145 1.00 0.00 N
ATOM 2 CA CYS A 1 4.434 1.807 0.024 1.00 0.00 C
ATOM 3 C CYS A 1 4.554 0.310 0.280 1.00 0.00 C
ATOM 4 O CYS A 1 5.634 -0.274 0.092 1.00 0.00 O
ATOM 5 CB CYS A 1 3.586 2.086 -1.250 1.00 0.00 C
ATOM 6 SG CYS A 1 1.796 1.642 -1.149 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.755 3.360 -0.334 1.00 0.00 H
ATOM 8 H2 CYS A 1 6.268 1.851 -0.912 1.00 0.00 H
ATOM 9 H3 CYS A 1 6.329 2.190 0.721 1.00 0.00 H
ATOM 10 HA CYS A 1 3.978 2.281 0.881 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.638 3.135 -1.494 1.00 0.00 H
ATOM 12 HB3 CYS A 1 4.011 1.520 -2.065 1.00 0.00 H
ATOM 13 N TYR A 2 3.474 -0.300 0.693 1.00 0.00 N
ATOM 14 CA TYR A 2 3.388 -1.685 0.945 1.00 0.00 C
ATOM 15 C TYR A 2 2.267 -2.088 0.064 1.00 0.00 C
ATOM 16 O TYR A 2 1.230 -1.456 0.112 1.00 0.00 O
ATOM 17 CB TYR A 2 2.989 -1.961 2.404 1.00 0.00 C
ATOM 18 CG TYR A 2 3.814 -1.242 3.453 1.00 0.00 C
ATOM 19 CD1 TYR A 2 5.055 -1.711 3.845 1.00 0.00 C
ATOM 20 CD2 TYR A 2 3.337 -0.090 4.050 1.00 0.00 C
ATOM 21 CE1 TYR A 2 5.795 -1.053 4.805 1.00 0.00 C
ATOM 22 CE2 TYR A 2 4.064 0.571 5.005 1.00 0.00 C
ATOM 23 CZ TYR A 2 5.292 0.090 5.381 1.00 0.00 C
ATOM 24 OH TYR A 2 6.014 0.758 6.345 1.00 0.00 O
ATOM 25 H TYR A 2 2.613 0.154 0.774 1.00 0.00 H
ATOM 26 HA TYR A 2 4.308 -2.183 0.683 1.00 0.00 H
ATOM 27 HB2 TYR A 2 1.958 -1.671 2.546 1.00 0.00 H
ATOM 28 HB3 TYR A 2 3.076 -3.023 2.583 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.442 -2.608 3.387 1.00 0.00 H
ATOM 30 HD2 TYR A 2 2.368 0.291 3.759 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.762 -1.442 5.092 1.00 0.00 H
ATOM 32 HE2 TYR A 2 3.659 1.466 5.452 1.00 0.00 H
ATOM 33 HH TYR A 2 6.916 0.923 6.038 1.00 0.00 H
ATOM 34 N ILE A 3 2.468 -3.081 -0.730 1.00 0.00 N
ATOM 35 CA ILE A 3 1.498 -3.512 -1.768 1.00 0.00 C
ATOM 36 C ILE A 3 0.104 -3.726 -1.211 1.00 0.00 C
ATOM 37 O ILE A 3 -0.896 -3.330 -1.804 1.00 0.00 O
ATOM 38 CB ILE A 3 1.977 -4.768 -2.550 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.401 -4.542 -3.083 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.018 -5.074 -3.708 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.982 -5.713 -3.851 1.00 0.00 C
ATOM 42 H ILE A 3 3.320 -3.538 -0.602 1.00 0.00 H
ATOM 43 HA ILE A 3 1.410 -2.692 -2.449 1.00 0.00 H
ATOM 44 HB ILE A 3 1.983 -5.612 -1.877 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.390 -3.690 -3.744 1.00 0.00 H
ATOM 46 HG13 ILE A 3 4.055 -4.329 -2.250 1.00 0.00 H
ATOM 47 HG21 ILE A 3 0.979 -4.223 -4.373 1.00 0.00 H
ATOM 48 HG22 ILE A 3 0.031 -5.275 -3.319 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.373 -5.937 -4.252 1.00 0.00 H
ATOM 50 HD11 ILE A 3 4.020 -6.584 -3.213 1.00 0.00 H
ATOM 51 HD12 ILE A 3 4.979 -5.467 -4.185 1.00 0.00 H
ATOM 52 HD13 ILE A 3 3.359 -5.923 -4.708 1.00 0.00 H
ATOM 53 N GLN A 4 0.071 -4.226 -0.039 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.180 -4.510 0.672 1.00 0.00 C
ATOM 55 C GLN A 4 -1.836 -3.248 1.234 1.00 0.00 C
ATOM 56 O GLN A 4 -2.878 -3.315 1.889 1.00 0.00 O
ATOM 57 CB GLN A 4 -0.969 -5.551 1.773 1.00 0.00 C
ATOM 58 CG GLN A 4 -0.562 -6.926 1.262 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.654 -7.629 0.461 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.493 -7.005 -0.185 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.632 -8.928 0.473 1.00 0.00 N
ATOM 62 H GLN A 4 0.970 -4.387 0.314 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.858 -4.914 -0.061 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -0.198 -5.195 2.442 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.888 -5.657 2.328 1.00 0.00 H
ATOM 66 HG2 GLN A 4 0.306 -6.819 0.629 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.310 -7.546 2.110 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -0.922 -9.379 0.984 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -2.337 -9.408 -0.009 1.00 0.00 H
ATOM 70 N ASN A 5 -1.233 -2.125 0.969 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.720 -0.824 1.425 1.00 0.00 C
ATOM 72 C ASN A 5 -1.593 0.219 0.324 1.00 0.00 C
ATOM 73 O ASN A 5 -1.764 1.424 0.558 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.977 -0.349 2.693 1.00 0.00 C
ATOM 75 CG ASN A 5 -1.299 -1.164 3.937 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -2.236 -0.855 4.681 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -0.519 -2.186 4.194 1.00 0.00 N
ATOM 78 H ASN A 5 -0.410 -2.177 0.434 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.766 -0.943 1.649 1.00 0.00 H
ATOM 80 HB2 ASN A 5 0.086 -0.405 2.518 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -1.242 0.682 2.880 1.00 0.00 H
ATOM 82 HD21 ASN A 5 0.231 -2.380 3.594 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -0.706 -2.748 4.978 1.00 0.00 H
ATOM 84 N CYS A 6 -1.324 -0.229 -0.866 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.192 0.672 -1.994 1.00 0.00 C
ATOM 86 C CYS A 6 -2.552 0.869 -2.664 1.00 0.00 C
ATOM 87 O CYS A 6 -3.233 -0.119 -3.000 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.169 0.156 -3.028 1.00 0.00 C
ATOM 89 SG CYS A 6 1.585 0.103 -2.473 1.00 0.00 S
ATOM 90 H CYS A 6 -1.242 -1.196 -0.995 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.842 1.614 -1.597 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.441 -0.851 -3.309 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.219 0.786 -3.904 1.00 0.00 H
ATOM 94 N PRO A 7 -3.010 2.125 -2.812 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.245 2.418 -3.514 1.00 0.00 C
ATOM 96 C PRO A 7 -4.067 2.169 -5.005 1.00 0.00 C
ATOM 97 O PRO A 7 -3.237 2.804 -5.661 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.488 3.914 -3.251 1.00 0.00 C
ATOM 99 CG PRO A 7 -3.542 4.282 -2.163 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.381 3.346 -2.294 1.00 0.00 C
ATOM 101 HA PRO A 7 -5.065 1.828 -3.132 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -4.289 4.472 -4.154 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.514 4.066 -2.951 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -3.218 5.305 -2.287 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -4.019 4.155 -1.203 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.650 3.739 -2.986 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.945 3.178 -1.321 1.00 0.00 H
ATOM 108 N LEU A 8 -4.807 1.230 -5.529 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.702 0.868 -6.935 1.00 0.00 C
ATOM 110 C LEU A 8 -5.816 1.498 -7.735 1.00 0.00 C
ATOM 111 O LEU A 8 -5.942 1.315 -8.953 1.00 0.00 O
ATOM 112 CB LEU A 8 -4.708 -0.637 -7.097 1.00 0.00 C
ATOM 113 CG LEU A 8 -3.516 -1.393 -6.489 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -3.665 -2.887 -6.702 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -2.196 -0.905 -7.078 1.00 0.00 C
ATOM 116 H LEU A 8 -5.449 0.756 -4.956 1.00 0.00 H
ATOM 117 HA LEU A 8 -3.773 1.265 -7.302 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -5.617 -1.005 -6.641 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -4.756 -0.823 -8.156 1.00 0.00 H
ATOM 120 HG LEU A 8 -3.501 -1.214 -5.424 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -4.570 -3.230 -6.223 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -2.818 -3.401 -6.276 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -3.720 -3.096 -7.760 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -1.381 -1.474 -6.655 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -2.060 0.142 -6.850 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -2.210 -1.037 -8.149 1.00 0.00 H
ATOM 127 N GLY A 9 -6.570 2.225 -7.049 1.00 0.00 N
ATOM 128 CA GLY A 9 -7.677 2.914 -7.584 1.00 0.00 C
ATOM 129 C GLY A 9 -8.635 3.182 -6.486 1.00 0.00 C
ATOM 130 O GLY A 9 -8.190 3.305 -5.333 1.00 0.00 O
ATOM 131 OXT GLY A 9 -9.846 3.233 -6.734 1.00 0.00 O
ATOM 132 H GLY A 9 -6.350 2.288 -6.100 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -7.351 3.842 -8.027 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -8.162 2.300 -8.328 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 10
ATOM 1 N CYS A 1 5.281 2.727 -0.143 1.00 0.00 N
ATOM 2 CA CYS A 1 4.732 1.497 0.397 1.00 0.00 C
ATOM 3 C CYS A 1 4.734 0.437 -0.682 1.00 0.00 C
ATOM 4 O CYS A 1 4.739 0.762 -1.871 1.00 0.00 O
ATOM 5 CB CYS A 1 3.304 1.730 0.894 1.00 0.00 C
ATOM 6 SG CYS A 1 2.153 2.332 -0.385 1.00 0.00 S
ATOM 7 H1 CYS A 1 6.266 2.578 -0.438 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.251 3.503 0.546 1.00 0.00 H
ATOM 9 H3 CYS A 1 4.739 2.995 -0.988 1.00 0.00 H
ATOM 10 HA CYS A 1 5.351 1.167 1.217 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.908 0.796 1.262 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.310 2.449 1.697 1.00 0.00 H
ATOM 13 N TYR A 2 4.755 -0.818 -0.287 1.00 0.00 N
ATOM 14 CA TYR A 2 4.719 -1.906 -1.238 1.00 0.00 C
ATOM 15 C TYR A 2 3.642 -2.929 -0.829 1.00 0.00 C
ATOM 16 O TYR A 2 3.499 -3.991 -1.425 1.00 0.00 O
ATOM 17 CB TYR A 2 6.133 -2.536 -1.377 1.00 0.00 C
ATOM 18 CG TYR A 2 6.260 -3.638 -2.421 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.076 -3.377 -3.773 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.548 -4.942 -2.045 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.179 -4.384 -4.714 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.651 -5.951 -2.975 1.00 0.00 C
ATOM 23 CZ TYR A 2 6.466 -5.671 -4.306 1.00 0.00 C
ATOM 24 OH TYR A 2 6.565 -6.681 -5.233 1.00 0.00 O
ATOM 25 H TYR A 2 4.825 -1.029 0.671 1.00 0.00 H
ATOM 26 HA TYR A 2 4.424 -1.482 -2.185 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.835 -1.760 -1.641 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.415 -2.945 -0.419 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.852 -2.368 -4.091 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.695 -5.166 -1.000 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.032 -4.155 -5.761 1.00 0.00 H
ATOM 32 HE2 TYR A 2 6.876 -6.957 -2.652 1.00 0.00 H
ATOM 33 HH TYR A 2 7.124 -6.359 -5.955 1.00 0.00 H
ATOM 34 N ILE A 3 2.850 -2.573 0.150 1.00 0.00 N
ATOM 35 CA ILE A 3 1.794 -3.411 0.618 1.00 0.00 C
ATOM 36 C ILE A 3 0.535 -3.051 -0.120 1.00 0.00 C
ATOM 37 O ILE A 3 0.454 -1.993 -0.739 1.00 0.00 O
ATOM 38 CB ILE A 3 1.571 -3.272 2.147 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.322 -1.795 2.537 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.748 -3.864 2.910 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.083 -1.574 4.016 1.00 0.00 C
ATOM 42 H ILE A 3 2.915 -1.697 0.566 1.00 0.00 H
ATOM 43 HA ILE A 3 2.054 -4.435 0.392 1.00 0.00 H
ATOM 44 HB ILE A 3 0.695 -3.851 2.401 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.176 -1.201 2.251 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.454 -1.437 2.002 1.00 0.00 H
ATOM 47 HG21 ILE A 3 3.657 -3.362 2.615 1.00 0.00 H
ATOM 48 HG22 ILE A 3 2.830 -4.919 2.690 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.591 -3.727 3.969 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.943 -1.912 4.573 1.00 0.00 H
ATOM 51 HD12 ILE A 3 0.211 -2.130 4.328 1.00 0.00 H
ATOM 52 HD13 ILE A 3 0.924 -0.521 4.200 1.00 0.00 H
ATOM 53 N GLN A 4 -0.432 -3.882 -0.029 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.683 -3.687 -0.763 1.00 0.00 C
ATOM 55 C GLN A 4 -2.701 -2.900 0.049 1.00 0.00 C
ATOM 56 O GLN A 4 -3.864 -2.821 -0.320 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.276 -5.029 -1.231 1.00 0.00 C
ATOM 58 CG GLN A 4 -2.677 -5.990 -0.119 1.00 0.00 C
ATOM 59 CD GLN A 4 -3.120 -7.339 -0.653 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.664 -7.784 -1.701 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -3.983 -8.008 0.060 1.00 0.00 N
ATOM 62 H GLN A 4 -0.266 -4.649 0.558 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.441 -3.099 -1.635 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -3.155 -4.827 -1.825 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.547 -5.521 -1.855 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.833 -6.138 0.535 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.491 -5.555 0.442 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -4.314 -7.628 0.902 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -4.261 -8.888 -0.271 1.00 0.00 H
ATOM 70 N ASN A 5 -2.258 -2.288 1.116 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.135 -1.510 1.959 1.00 0.00 C
ATOM 72 C ASN A 5 -2.364 -0.350 2.540 1.00 0.00 C
ATOM 73 O ASN A 5 -1.977 -0.343 3.710 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.800 -2.363 3.062 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.883 -1.601 3.823 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -4.625 -0.963 4.836 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -6.094 -1.675 3.344 1.00 0.00 N
ATOM 78 H ASN A 5 -1.300 -2.304 1.315 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.900 -1.103 1.313 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -4.252 -3.234 2.612 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.045 -2.680 3.765 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -6.255 -2.209 2.535 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -6.815 -1.194 3.804 1.00 0.00 H
ATOM 84 N CYS A 6 -2.016 0.544 1.672 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.298 1.745 2.031 1.00 0.00 C
ATOM 86 C CYS A 6 -2.243 2.760 2.678 1.00 0.00 C
ATOM 87 O CYS A 6 -3.262 3.138 2.077 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.652 2.353 0.787 1.00 0.00 C
ATOM 89 SG CYS A 6 0.483 1.219 -0.087 1.00 0.00 S
ATOM 90 H CYS A 6 -2.232 0.374 0.730 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.520 1.473 2.728 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -1.427 2.638 0.093 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.088 3.230 1.072 1.00 0.00 H
ATOM 94 N PRO A 7 -1.958 3.164 3.930 1.00 0.00 N
ATOM 95 CA PRO A 7 -2.737 4.182 4.628 1.00 0.00 C
ATOM 96 C PRO A 7 -2.730 5.503 3.860 1.00 0.00 C
ATOM 97 O PRO A 7 -1.671 6.052 3.544 1.00 0.00 O
ATOM 98 CB PRO A 7 -1.997 4.352 5.959 1.00 0.00 C
ATOM 99 CG PRO A 7 -1.258 3.082 6.146 1.00 0.00 C
ATOM 100 CD PRO A 7 -0.870 2.641 4.776 1.00 0.00 C
ATOM 101 HA PRO A 7 -3.753 3.863 4.804 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -1.325 5.194 5.887 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -2.706 4.517 6.754 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -0.379 3.252 6.751 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -1.896 2.347 6.612 1.00 0.00 H
ATOM 106 HD2 PRO A 7 0.074 3.081 4.501 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -0.825 1.563 4.729 1.00 0.00 H
ATOM 108 N LEU A 8 -3.904 5.990 3.550 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.063 7.235 2.808 1.00 0.00 C
ATOM 110 C LEU A 8 -4.296 8.386 3.758 1.00 0.00 C
ATOM 111 O LEU A 8 -4.623 9.510 3.364 1.00 0.00 O
ATOM 112 CB LEU A 8 -5.220 7.122 1.847 1.00 0.00 C
ATOM 113 CG LEU A 8 -5.095 6.073 0.730 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -6.346 6.057 -0.132 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -3.860 6.326 -0.129 1.00 0.00 C
ATOM 116 H LEU A 8 -4.712 5.501 3.815 1.00 0.00 H
ATOM 117 HA LEU A 8 -3.156 7.417 2.258 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -6.105 6.906 2.430 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -5.317 8.104 1.424 1.00 0.00 H
ATOM 120 HG LEU A 8 -5.000 5.095 1.182 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -7.203 5.815 0.478 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -6.238 5.315 -0.910 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -6.487 7.029 -0.581 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -2.971 6.252 0.477 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -3.922 7.312 -0.564 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -3.818 5.591 -0.919 1.00 0.00 H
ATOM 127 N GLY A 9 -4.127 8.083 4.974 1.00 0.00 N
ATOM 128 CA GLY A 9 -4.272 9.000 6.048 1.00 0.00 C
ATOM 129 C GLY A 9 -3.972 8.285 7.321 1.00 0.00 C
ATOM 130 O GLY A 9 -4.515 8.641 8.383 1.00 0.00 O
ATOM 131 OXT GLY A 9 -3.213 7.303 7.271 1.00 0.00 O
ATOM 132 H GLY A 9 -3.876 7.154 5.140 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -3.589 9.824 5.914 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -5.288 9.362 6.082 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 11
ATOM 1 N CYS A 1 3.833 2.247 -0.815 1.00 0.00 N
ATOM 2 CA CYS A 1 3.955 1.118 0.091 1.00 0.00 C
ATOM 3 C CYS A 1 4.502 -0.066 -0.686 1.00 0.00 C
ATOM 4 O CYS A 1 4.563 -0.019 -1.914 1.00 0.00 O
ATOM 5 CB CYS A 1 2.572 0.731 0.606 1.00 0.00 C
ATOM 6 SG CYS A 1 1.559 2.077 1.276 1.00 0.00 S
ATOM 7 H1 CYS A 1 4.755 2.499 -1.218 1.00 0.00 H
ATOM 8 H2 CYS A 1 3.427 3.073 -0.332 1.00 0.00 H
ATOM 9 H3 CYS A 1 3.204 1.988 -1.602 1.00 0.00 H
ATOM 10 HA CYS A 1 4.599 1.363 0.921 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.011 0.294 -0.207 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.678 -0.016 1.375 1.00 0.00 H
ATOM 13 N TYR A 2 4.928 -1.113 0.011 1.00 0.00 N
ATOM 14 CA TYR A 2 5.293 -2.357 -0.660 1.00 0.00 C
ATOM 15 C TYR A 2 4.117 -3.320 -0.574 1.00 0.00 C
ATOM 16 O TYR A 2 4.090 -4.392 -1.181 1.00 0.00 O
ATOM 17 CB TYR A 2 6.589 -2.968 -0.097 1.00 0.00 C
ATOM 18 CG TYR A 2 6.567 -3.296 1.384 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.934 -2.353 2.327 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.197 -4.553 1.832 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.931 -2.647 3.669 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.186 -4.854 3.174 1.00 0.00 C
ATOM 23 CZ TYR A 2 6.553 -3.896 4.086 1.00 0.00 C
ATOM 24 OH TYR A 2 6.573 -4.206 5.421 1.00 0.00 O
ATOM 25 H TYR A 2 5.035 -1.055 0.985 1.00 0.00 H
ATOM 26 HA TYR A 2 5.417 -2.107 -1.701 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.786 -3.889 -0.622 1.00 0.00 H
ATOM 28 HB3 TYR A 2 7.405 -2.284 -0.277 1.00 0.00 H
ATOM 29 HD1 TYR A 2 7.229 -1.367 1.998 1.00 0.00 H
ATOM 30 HD2 TYR A 2 5.909 -5.305 1.112 1.00 0.00 H
ATOM 31 HE1 TYR A 2 7.221 -1.889 4.380 1.00 0.00 H
ATOM 32 HE2 TYR A 2 5.884 -5.838 3.502 1.00 0.00 H
ATOM 33 HH TYR A 2 5.902 -3.669 5.864 1.00 0.00 H
ATOM 34 N ILE A 3 3.162 -2.906 0.200 1.00 0.00 N
ATOM 35 CA ILE A 3 1.916 -3.564 0.362 1.00 0.00 C
ATOM 36 C ILE A 3 0.894 -2.713 -0.354 1.00 0.00 C
ATOM 37 O ILE A 3 1.240 -1.671 -0.912 1.00 0.00 O
ATOM 38 CB ILE A 3 1.516 -3.677 1.858 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.506 -2.284 2.525 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.442 -4.639 2.593 1.00 0.00 C
ATOM 41 CD1 ILE A 3 0.999 -2.274 3.944 1.00 0.00 C
ATOM 42 H ILE A 3 3.292 -2.068 0.677 1.00 0.00 H
ATOM 43 HA ILE A 3 1.967 -4.548 -0.080 1.00 0.00 H
ATOM 44 HB ILE A 3 0.519 -4.085 1.897 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.515 -1.904 2.542 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.887 -1.620 1.939 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.145 -4.700 3.629 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.458 -4.278 2.529 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.377 -5.618 2.141 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.614 -2.922 4.549 1.00 0.00 H
ATOM 51 HD12 ILE A 3 -0.021 -2.632 3.959 1.00 0.00 H
ATOM 52 HD13 ILE A 3 1.036 -1.268 4.334 1.00 0.00 H
ATOM 53 N GLN A 4 -0.319 -3.101 -0.325 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.343 -2.342 -1.012 1.00 0.00 C
ATOM 55 C GLN A 4 -2.460 -1.970 -0.034 1.00 0.00 C
ATOM 56 O GLN A 4 -3.527 -1.503 -0.414 1.00 0.00 O
ATOM 57 CB GLN A 4 -1.876 -3.154 -2.187 1.00 0.00 C
ATOM 58 CG GLN A 4 -2.572 -2.322 -3.240 1.00 0.00 C
ATOM 59 CD GLN A 4 -3.061 -3.149 -4.390 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.343 -3.376 -5.358 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -4.282 -3.599 -4.319 1.00 0.00 N
ATOM 62 H GLN A 4 -0.511 -3.934 0.156 1.00 0.00 H
ATOM 63 HA GLN A 4 -0.888 -1.436 -1.383 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -1.051 -3.672 -2.652 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.578 -3.884 -1.813 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -3.416 -1.830 -2.781 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -1.881 -1.580 -3.610 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -4.818 -3.375 -3.528 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -4.626 -4.134 -5.068 1.00 0.00 H
ATOM 70 N ASN A 5 -2.176 -2.123 1.235 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.150 -1.845 2.284 1.00 0.00 C
ATOM 72 C ASN A 5 -2.686 -0.592 3.015 1.00 0.00 C
ATOM 73 O ASN A 5 -2.601 -0.536 4.239 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.250 -3.052 3.242 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.475 -2.996 4.156 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -4.438 -2.447 5.263 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -5.559 -3.573 3.707 1.00 0.00 N
ATOM 78 H ASN A 5 -1.271 -2.391 1.486 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.106 -1.656 1.818 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -3.304 -3.958 2.659 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -2.364 -3.083 3.858 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -5.541 -4.007 2.826 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -6.370 -3.558 4.256 1.00 0.00 H
ATOM 84 N CYS A 6 -2.339 0.394 2.222 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.851 1.679 2.702 1.00 0.00 C
ATOM 86 C CYS A 6 -2.932 2.410 3.497 1.00 0.00 C
ATOM 87 O CYS A 6 -4.001 2.716 2.956 1.00 0.00 O
ATOM 88 CB CYS A 6 -1.432 2.540 1.516 1.00 0.00 C
ATOM 89 SG CYS A 6 -0.243 1.734 0.405 1.00 0.00 S
ATOM 90 H CYS A 6 -2.418 0.239 1.257 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.987 1.501 3.324 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -2.306 2.796 0.934 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.974 3.446 1.885 1.00 0.00 H
ATOM 94 N PRO A 7 -2.686 2.682 4.787 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.636 3.407 5.618 1.00 0.00 C
ATOM 96 C PRO A 7 -3.683 4.875 5.205 1.00 0.00 C
ATOM 97 O PRO A 7 -2.678 5.593 5.309 1.00 0.00 O
ATOM 98 CB PRO A 7 -3.066 3.255 7.031 1.00 0.00 C
ATOM 99 CG PRO A 7 -1.605 3.023 6.841 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.462 2.304 5.531 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.626 2.977 5.558 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.258 4.158 7.590 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -3.535 2.416 7.521 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -1.087 3.970 6.807 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -1.219 2.418 7.648 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -0.575 2.646 5.019 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.421 1.236 5.686 1.00 0.00 H
ATOM 108 N LEU A 8 -4.822 5.319 4.717 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.950 6.679 4.186 1.00 0.00 C
ATOM 110 C LEU A 8 -5.190 7.712 5.261 1.00 0.00 C
ATOM 111 O LEU A 8 -5.329 8.907 4.990 1.00 0.00 O
ATOM 112 CB LEU A 8 -6.029 6.758 3.128 1.00 0.00 C
ATOM 113 CG LEU A 8 -5.816 5.930 1.856 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -6.973 6.131 0.895 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -4.500 6.287 1.183 1.00 0.00 C
ATOM 116 H LEU A 8 -5.609 4.727 4.694 1.00 0.00 H
ATOM 117 HA LEU A 8 -4.005 6.919 3.734 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -6.954 6.442 3.588 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -6.108 7.800 2.873 1.00 0.00 H
ATOM 120 HG LEU A 8 -5.789 4.883 2.124 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -7.036 7.173 0.622 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -7.894 5.828 1.374 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -6.814 5.535 0.009 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -4.397 5.713 0.274 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -3.679 6.061 1.845 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -4.493 7.341 0.948 1.00 0.00 H
ATOM 127 N GLY A 9 -5.223 7.256 6.432 1.00 0.00 N
ATOM 128 CA GLY A 9 -5.418 8.101 7.563 1.00 0.00 C
ATOM 129 C GLY A 9 -5.947 7.320 8.710 1.00 0.00 C
ATOM 130 O GLY A 9 -7.176 7.197 8.826 1.00 0.00 O
ATOM 131 OXT GLY A 9 -5.141 6.776 9.496 1.00 0.00 O
ATOM 132 H GLY A 9 -5.115 6.289 6.492 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -4.470 8.543 7.837 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -6.121 8.883 7.312 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 12
ATOM 1 N CYS A 1 4.932 2.407 -0.554 1.00 0.00 N
ATOM 2 CA CYS A 1 3.962 1.700 0.265 1.00 0.00 C
ATOM 3 C CYS A 1 4.142 0.207 0.116 1.00 0.00 C
ATOM 4 O CYS A 1 4.795 -0.251 -0.823 1.00 0.00 O
ATOM 5 CB CYS A 1 2.517 2.123 -0.106 1.00 0.00 C
ATOM 6 SG CYS A 1 2.124 2.126 -1.901 1.00 0.00 S
ATOM 7 H1 CYS A 1 4.832 3.438 -0.468 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.802 2.139 -1.551 1.00 0.00 H
ATOM 9 H3 CYS A 1 5.890 2.131 -0.268 1.00 0.00 H
ATOM 10 HA CYS A 1 4.149 1.967 1.294 1.00 0.00 H
ATOM 11 HB2 CYS A 1 1.835 1.426 0.358 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.312 3.106 0.284 1.00 0.00 H
ATOM 13 N TYR A 2 3.610 -0.553 1.048 1.00 0.00 N
ATOM 14 CA TYR A 2 3.596 -1.925 0.957 1.00 0.00 C
ATOM 15 C TYR A 2 2.449 -2.255 0.072 1.00 0.00 C
ATOM 16 O TYR A 2 1.459 -1.570 0.082 1.00 0.00 O
ATOM 17 CB TYR A 2 3.436 -2.585 2.337 1.00 0.00 C
ATOM 18 CG TYR A 2 3.417 -4.094 2.265 1.00 0.00 C
ATOM 19 CD1 TYR A 2 4.495 -4.780 1.736 1.00 0.00 C
ATOM 20 CD2 TYR A 2 2.313 -4.828 2.681 1.00 0.00 C
ATOM 21 CE1 TYR A 2 4.488 -6.142 1.632 1.00 0.00 C
ATOM 22 CE2 TYR A 2 2.299 -6.205 2.573 1.00 0.00 C
ATOM 23 CZ TYR A 2 3.396 -6.854 2.050 1.00 0.00 C
ATOM 24 OH TYR A 2 3.393 -8.217 1.933 1.00 0.00 O
ATOM 25 H TYR A 2 3.168 -0.208 1.840 1.00 0.00 H
ATOM 26 HA TYR A 2 4.517 -2.255 0.505 1.00 0.00 H
ATOM 27 HB2 TYR A 2 4.258 -2.291 2.972 1.00 0.00 H
ATOM 28 HB3 TYR A 2 2.507 -2.258 2.779 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.362 -4.227 1.406 1.00 0.00 H
ATOM 30 HD2 TYR A 2 1.461 -4.309 3.098 1.00 0.00 H
ATOM 31 HE1 TYR A 2 5.353 -6.641 1.220 1.00 0.00 H
ATOM 32 HE2 TYR A 2 1.436 -6.766 2.901 1.00 0.00 H
ATOM 33 HH TYR A 2 4.286 -8.547 2.116 1.00 0.00 H
ATOM 34 N ILE A 3 2.621 -3.272 -0.650 1.00 0.00 N
ATOM 35 CA ILE A 3 1.689 -3.781 -1.693 1.00 0.00 C
ATOM 36 C ILE A 3 0.213 -3.661 -1.309 1.00 0.00 C
ATOM 37 O ILE A 3 -0.602 -3.075 -2.022 1.00 0.00 O
ATOM 38 CB ILE A 3 2.009 -5.256 -2.060 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.499 -5.409 -2.408 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.143 -5.710 -3.240 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.937 -6.843 -2.644 1.00 0.00 C
ATOM 42 H ILE A 3 3.495 -3.651 -0.438 1.00 0.00 H
ATOM 43 HA ILE A 3 1.815 -3.182 -2.567 1.00 0.00 H
ATOM 44 HB ILE A 3 1.781 -5.877 -1.207 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.707 -4.853 -3.310 1.00 0.00 H
ATOM 46 HG13 ILE A 3 4.094 -5.006 -1.602 1.00 0.00 H
ATOM 47 HG21 ILE A 3 1.337 -5.077 -4.093 1.00 0.00 H
ATOM 48 HG22 ILE A 3 0.100 -5.642 -2.968 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.387 -6.733 -3.487 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.368 -7.261 -3.459 1.00 0.00 H
ATOM 51 HD12 ILE A 3 3.765 -7.422 -1.749 1.00 0.00 H
ATOM 52 HD13 ILE A 3 4.988 -6.861 -2.888 1.00 0.00 H
ATOM 53 N GLN A 4 -0.075 -4.134 -0.165 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.451 -4.193 0.357 1.00 0.00 C
ATOM 55 C GLN A 4 -1.888 -2.868 0.960 1.00 0.00 C
ATOM 56 O GLN A 4 -3.061 -2.651 1.262 1.00 0.00 O
ATOM 57 CB GLN A 4 -1.599 -5.309 1.377 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.247 -6.683 0.844 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.382 -7.759 1.893 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.213 -7.667 2.799 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -0.578 -8.767 1.795 1.00 0.00 N
ATOM 62 H GLN A 4 0.732 -4.435 0.298 1.00 0.00 H
ATOM 63 HA GLN A 4 -2.092 -4.390 -0.482 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -0.953 -5.100 2.217 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.624 -5.333 1.722 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.907 -6.917 0.020 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.227 -6.666 0.491 1.00 0.00 H
ATOM 68 HE21 GLN A 4 0.070 -8.786 1.057 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -0.645 -9.485 2.460 1.00 0.00 H
ATOM 70 N ASN A 5 -0.962 -1.996 1.075 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.166 -0.680 1.680 1.00 0.00 C
ATOM 72 C ASN A 5 -1.205 0.359 0.580 1.00 0.00 C
ATOM 73 O ASN A 5 -1.339 1.560 0.814 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.046 -0.331 2.680 1.00 0.00 C
ATOM 75 CG ASN A 5 0.135 -1.311 3.847 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -0.107 -2.518 3.730 1.00 0.00 O
ATOM 77 ND2 ASN A 5 0.572 -0.804 4.974 1.00 0.00 N
ATOM 78 H ASN A 5 -0.085 -2.243 0.709 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.121 -0.692 2.176 1.00 0.00 H
ATOM 80 HB2 ASN A 5 0.888 -0.296 2.139 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -0.250 0.651 3.079 1.00 0.00 H
ATOM 82 HD21 ASN A 5 0.743 0.164 4.996 1.00 0.00 H
ATOM 83 HD22 ASN A 5 0.723 -1.391 5.745 1.00 0.00 H
ATOM 84 N CYS A 6 -1.066 -0.123 -0.602 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.120 0.682 -1.784 1.00 0.00 C
ATOM 86 C CYS A 6 -2.481 0.498 -2.387 1.00 0.00 C
ATOM 87 O CYS A 6 -2.969 -0.639 -2.445 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.091 0.217 -2.831 1.00 0.00 C
ATOM 89 SG CYS A 6 1.662 0.201 -2.314 1.00 0.00 S
ATOM 90 H CYS A 6 -0.945 -1.093 -0.664 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.936 1.715 -1.529 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -0.337 -0.791 -3.128 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.177 0.859 -3.696 1.00 0.00 H
ATOM 94 N PRO A 7 -3.163 1.569 -2.777 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.393 1.446 -3.526 1.00 0.00 C
ATOM 96 C PRO A 7 -4.067 0.834 -4.880 1.00 0.00 C
ATOM 97 O PRO A 7 -3.449 1.477 -5.736 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.888 2.887 -3.682 1.00 0.00 C
ATOM 99 CG PRO A 7 -4.127 3.671 -2.671 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.815 2.963 -2.507 1.00 0.00 C
ATOM 101 HA PRO A 7 -5.116 0.833 -3.007 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -4.676 3.220 -4.685 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.951 2.929 -3.498 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -3.970 4.679 -3.025 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -4.666 3.684 -1.735 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -2.088 3.319 -3.220 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -2.450 3.079 -1.498 1.00 0.00 H
ATOM 108 N LEU A 8 -4.417 -0.409 -5.041 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.087 -1.157 -6.198 1.00 0.00 C
ATOM 110 C LEU A 8 -5.233 -2.038 -6.513 1.00 0.00 C
ATOM 111 O LEU A 8 -5.394 -3.166 -6.012 1.00 0.00 O
ATOM 112 CB LEU A 8 -2.836 -1.940 -5.981 1.00 0.00 C
ATOM 113 CG LEU A 8 -2.286 -2.741 -7.164 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -1.926 -1.826 -8.324 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -1.078 -3.551 -6.732 1.00 0.00 C
ATOM 116 H LEU A 8 -4.969 -0.852 -4.366 1.00 0.00 H
ATOM 117 HA LEU A 8 -3.942 -0.460 -7.011 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -2.119 -1.195 -5.686 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -3.069 -2.601 -5.164 1.00 0.00 H
ATOM 120 HG LEU A 8 -3.046 -3.427 -7.507 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -1.522 -2.414 -9.133 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -1.196 -1.101 -8.000 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -2.814 -1.313 -8.665 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -0.313 -2.887 -6.360 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -0.697 -4.102 -7.578 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -1.365 -4.242 -5.954 1.00 0.00 H
ATOM 127 N GLY A 9 -6.064 -1.446 -7.181 1.00 0.00 N
ATOM 128 CA GLY A 9 -7.277 -2.021 -7.638 1.00 0.00 C
ATOM 129 C GLY A 9 -8.276 -0.933 -7.771 1.00 0.00 C
ATOM 130 O GLY A 9 -7.853 0.207 -8.065 1.00 0.00 O
ATOM 131 OXT GLY A 9 -9.465 -1.152 -7.519 1.00 0.00 O
ATOM 132 H GLY A 9 -5.801 -0.515 -7.324 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -7.116 -2.502 -8.591 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -7.634 -2.743 -6.918 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 13
ATOM 1 N CYS A 1 4.300 2.511 -0.420 1.00 0.00 N
ATOM 2 CA CYS A 1 4.514 1.265 0.303 1.00 0.00 C
ATOM 3 C CYS A 1 4.673 0.132 -0.695 1.00 0.00 C
ATOM 4 O CYS A 1 4.483 0.337 -1.888 1.00 0.00 O
ATOM 5 CB CYS A 1 3.309 0.985 1.186 1.00 0.00 C
ATOM 6 SG CYS A 1 2.927 2.286 2.395 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.129 2.725 -1.010 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.142 3.297 0.240 1.00 0.00 H
ATOM 9 H3 CYS A 1 3.476 2.405 -1.044 1.00 0.00 H
ATOM 10 HA CYS A 1 5.401 1.350 0.913 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.444 0.874 0.550 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.454 0.060 1.724 1.00 0.00 H
ATOM 13 N TYR A 2 5.030 -1.056 -0.215 1.00 0.00 N
ATOM 14 CA TYR A 2 5.106 -2.231 -1.073 1.00 0.00 C
ATOM 15 C TYR A 2 3.942 -3.175 -0.769 1.00 0.00 C
ATOM 16 O TYR A 2 3.838 -4.281 -1.319 1.00 0.00 O
ATOM 17 CB TYR A 2 6.464 -2.954 -0.925 1.00 0.00 C
ATOM 18 CG TYR A 2 6.826 -3.417 0.482 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.320 -4.600 1.007 1.00 0.00 C
ATOM 20 CD2 TYR A 2 7.694 -2.678 1.272 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.661 -5.026 2.270 1.00 0.00 C
ATOM 22 CE2 TYR A 2 8.040 -3.097 2.537 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.521 -4.273 3.031 1.00 0.00 C
ATOM 24 OH TYR A 2 7.863 -4.695 4.288 1.00 0.00 O
ATOM 25 H TYR A 2 5.288 -1.159 0.728 1.00 0.00 H
ATOM 26 HA TYR A 2 4.994 -1.885 -2.090 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.447 -3.833 -1.550 1.00 0.00 H
ATOM 28 HB3 TYR A 2 7.248 -2.298 -1.272 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.641 -5.191 0.409 1.00 0.00 H
ATOM 30 HD2 TYR A 2 8.103 -1.755 0.888 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.250 -5.951 2.649 1.00 0.00 H
ATOM 32 HE2 TYR A 2 8.716 -2.499 3.128 1.00 0.00 H
ATOM 33 HH TYR A 2 8.145 -5.617 4.217 1.00 0.00 H
ATOM 34 N ILE A 3 3.065 -2.711 0.092 1.00 0.00 N
ATOM 35 CA ILE A 3 1.933 -3.453 0.531 1.00 0.00 C
ATOM 36 C ILE A 3 0.736 -2.838 -0.181 1.00 0.00 C
ATOM 37 O ILE A 3 0.849 -1.746 -0.754 1.00 0.00 O
ATOM 38 CB ILE A 3 1.745 -3.313 2.076 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.103 -3.256 2.788 1.00 0.00 C
ATOM 40 CG2 ILE A 3 0.945 -4.495 2.621 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.009 -3.024 4.278 1.00 0.00 C
ATOM 42 H ILE A 3 3.139 -1.800 0.425 1.00 0.00 H
ATOM 43 HA ILE A 3 2.049 -4.491 0.260 1.00 0.00 H
ATOM 44 HB ILE A 3 1.195 -2.406 2.271 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.624 -4.189 2.633 1.00 0.00 H
ATOM 46 HG13 ILE A 3 3.686 -2.454 2.361 1.00 0.00 H
ATOM 47 HG21 ILE A 3 0.925 -4.439 3.699 1.00 0.00 H
ATOM 48 HG22 ILE A 3 1.385 -5.429 2.310 1.00 0.00 H
ATOM 49 HG23 ILE A 3 -0.070 -4.436 2.258 1.00 0.00 H
ATOM 50 HD11 ILE A 3 2.499 -2.091 4.465 1.00 0.00 H
ATOM 51 HD12 ILE A 3 4.002 -2.982 4.698 1.00 0.00 H
ATOM 52 HD13 ILE A 3 2.457 -3.835 4.733 1.00 0.00 H
ATOM 53 N GLN A 4 -0.379 -3.474 -0.109 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.557 -3.065 -0.868 1.00 0.00 C
ATOM 55 C GLN A 4 -2.645 -2.463 0.006 1.00 0.00 C
ATOM 56 O GLN A 4 -3.747 -2.212 -0.454 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.095 -4.237 -1.672 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.119 -4.751 -2.710 1.00 0.00 C
ATOM 59 CD GLN A 4 -1.600 -5.993 -3.426 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -0.798 -6.816 -3.854 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -2.891 -6.168 -3.533 1.00 0.00 N
ATOM 62 H GLN A 4 -0.401 -4.246 0.492 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.232 -2.304 -1.559 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.336 -5.048 -1.003 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.995 -3.922 -2.179 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -0.958 -3.973 -3.441 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.183 -4.974 -2.219 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -3.504 -5.501 -3.149 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -3.220 -6.962 -4.001 1.00 0.00 H
ATOM 70 N ASN A 5 -2.320 -2.199 1.235 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.266 -1.582 2.174 1.00 0.00 C
ATOM 72 C ASN A 5 -2.665 -0.307 2.728 1.00 0.00 C
ATOM 73 O ASN A 5 -2.945 0.111 3.849 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.666 -2.565 3.308 1.00 0.00 C
ATOM 75 CG ASN A 5 -2.497 -3.120 4.105 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -1.929 -4.134 3.741 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -2.155 -2.495 5.192 1.00 0.00 N
ATOM 78 H ASN A 5 -1.415 -2.428 1.523 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.143 -1.317 1.603 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -4.315 -2.050 3.999 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -4.208 -3.393 2.874 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.662 -1.695 5.454 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -1.411 -2.854 5.720 1.00 0.00 H
ATOM 84 N CYS A 6 -1.884 0.334 1.898 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.166 1.549 2.248 1.00 0.00 C
ATOM 86 C CYS A 6 -2.037 2.779 1.963 1.00 0.00 C
ATOM 87 O CYS A 6 -2.912 2.726 1.088 1.00 0.00 O
ATOM 88 CB CYS A 6 0.127 1.607 1.419 1.00 0.00 C
ATOM 89 SG CYS A 6 1.199 3.068 1.697 1.00 0.00 S
ATOM 90 H CYS A 6 -1.810 0.011 0.975 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.909 1.512 3.293 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.716 0.732 1.652 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.134 1.580 0.372 1.00 0.00 H
ATOM 94 N PRO A 7 -1.885 3.865 2.759 1.00 0.00 N
ATOM 95 CA PRO A 7 -2.564 5.139 2.497 1.00 0.00 C
ATOM 96 C PRO A 7 -2.210 5.681 1.102 1.00 0.00 C
ATOM 97 O PRO A 7 -1.053 6.038 0.830 1.00 0.00 O
ATOM 98 CB PRO A 7 -2.007 6.074 3.581 1.00 0.00 C
ATOM 99 CG PRO A 7 -1.576 5.169 4.674 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.082 3.926 4.002 1.00 0.00 C
ATOM 101 HA PRO A 7 -3.636 5.046 2.595 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -1.175 6.633 3.179 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -2.774 6.756 3.915 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -0.785 5.632 5.244 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -2.416 4.942 5.314 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -0.028 4.003 3.780 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.281 3.070 4.628 1.00 0.00 H
ATOM 108 N LEU A 8 -3.186 5.701 0.213 1.00 0.00 N
ATOM 109 CA LEU A 8 -2.964 6.165 -1.157 1.00 0.00 C
ATOM 110 C LEU A 8 -3.674 7.463 -1.431 1.00 0.00 C
ATOM 111 O LEU A 8 -3.679 7.981 -2.555 1.00 0.00 O
ATOM 112 CB LEU A 8 -3.401 5.125 -2.168 1.00 0.00 C
ATOM 113 CG LEU A 8 -2.598 3.820 -2.228 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -3.178 2.895 -3.285 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -1.125 4.098 -2.517 1.00 0.00 C
ATOM 116 H LEU A 8 -4.075 5.374 0.475 1.00 0.00 H
ATOM 117 HA LEU A 8 -1.909 6.340 -1.267 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -4.432 4.880 -1.954 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -3.362 5.622 -3.123 1.00 0.00 H
ATOM 120 HG LEU A 8 -2.671 3.321 -1.273 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -3.150 3.386 -4.247 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -4.199 2.653 -3.032 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -2.593 1.989 -3.329 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -0.694 4.677 -1.715 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -1.035 4.638 -3.448 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -0.600 3.157 -2.602 1.00 0.00 H
ATOM 127 N GLY A 9 -4.240 7.978 -0.426 1.00 0.00 N
ATOM 128 CA GLY A 9 -4.969 9.204 -0.522 1.00 0.00 C
ATOM 129 C GLY A 9 -6.299 9.068 0.135 1.00 0.00 C
ATOM 130 O GLY A 9 -7.270 8.689 -0.532 1.00 0.00 O
ATOM 131 OXT GLY A 9 -6.383 9.273 1.359 1.00 0.00 O
ATOM 132 H GLY A 9 -4.144 7.468 0.401 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -4.408 9.991 -0.039 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -5.114 9.455 -1.562 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 14
ATOM 1 N CYS A 1 4.518 2.456 -0.755 1.00 0.00 N
ATOM 2 CA CYS A 1 4.254 1.347 0.134 1.00 0.00 C
ATOM 3 C CYS A 1 4.413 0.053 -0.640 1.00 0.00 C
ATOM 4 O CYS A 1 4.054 -0.009 -1.816 1.00 0.00 O
ATOM 5 CB CYS A 1 2.836 1.445 0.679 1.00 0.00 C
ATOM 6 SG CYS A 1 2.412 3.049 1.453 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.495 2.402 -1.107 1.00 0.00 H
ATOM 8 H2 CYS A 1 4.349 3.371 -0.300 1.00 0.00 H
ATOM 9 H3 CYS A 1 3.893 2.367 -1.581 1.00 0.00 H
ATOM 10 HA CYS A 1 4.961 1.369 0.945 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.130 1.266 -0.114 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.702 0.680 1.427 1.00 0.00 H
ATOM 13 N TYR A 2 4.944 -0.983 -0.004 1.00 0.00 N
ATOM 14 CA TYR A 2 5.153 -2.245 -0.696 1.00 0.00 C
ATOM 15 C TYR A 2 3.953 -3.152 -0.517 1.00 0.00 C
ATOM 16 O TYR A 2 3.893 -4.247 -1.049 1.00 0.00 O
ATOM 17 CB TYR A 2 6.454 -2.948 -0.246 1.00 0.00 C
ATOM 18 CG TYR A 2 6.435 -3.528 1.162 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.682 -2.740 2.269 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.171 -4.879 1.373 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.668 -3.269 3.538 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.157 -5.414 2.641 1.00 0.00 C
ATOM 23 CZ TYR A 2 6.405 -4.603 3.719 1.00 0.00 C
ATOM 24 OH TYR A 2 6.397 -5.132 4.983 1.00 0.00 O
ATOM 25 H TYR A 2 5.211 -0.913 0.939 1.00 0.00 H
ATOM 26 HA TYR A 2 5.221 -2.006 -1.744 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.652 -3.764 -0.924 1.00 0.00 H
ATOM 28 HB3 TYR A 2 7.269 -2.242 -0.306 1.00 0.00 H
ATOM 29 HD1 TYR A 2 6.890 -1.688 2.136 1.00 0.00 H
ATOM 30 HD2 TYR A 2 5.973 -5.517 0.523 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.862 -2.623 4.380 1.00 0.00 H
ATOM 32 HE2 TYR A 2 5.948 -6.464 2.776 1.00 0.00 H
ATOM 33 HH TYR A 2 5.867 -4.554 5.547 1.00 0.00 H
ATOM 34 N ILE A 3 3.006 -2.683 0.223 1.00 0.00 N
ATOM 35 CA ILE A 3 1.821 -3.393 0.475 1.00 0.00 C
ATOM 36 C ILE A 3 0.633 -2.646 -0.081 1.00 0.00 C
ATOM 37 O ILE A 3 0.627 -1.411 -0.150 1.00 0.00 O
ATOM 38 CB ILE A 3 1.644 -3.776 1.989 1.00 0.00 C
ATOM 39 CG1 ILE A 3 2.047 -2.639 2.970 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.404 -5.050 2.317 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.150 -1.421 2.970 1.00 0.00 C
ATOM 42 H ILE A 3 3.084 -1.788 0.598 1.00 0.00 H
ATOM 43 HA ILE A 3 1.904 -4.308 -0.093 1.00 0.00 H
ATOM 44 HB ILE A 3 0.595 -3.989 2.115 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.051 -3.033 3.975 1.00 0.00 H
ATOM 46 HG13 ILE A 3 3.048 -2.320 2.724 1.00 0.00 H
ATOM 47 HG21 ILE A 3 3.455 -4.904 2.111 1.00 0.00 H
ATOM 48 HG22 ILE A 3 2.028 -5.864 1.713 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.274 -5.288 3.363 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.146 -0.986 1.983 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.520 -0.698 3.681 1.00 0.00 H
ATOM 52 HD13 ILE A 3 0.147 -1.711 3.240 1.00 0.00 H
ATOM 53 N GLN A 4 -0.359 -3.383 -0.456 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.578 -2.842 -1.060 1.00 0.00 C
ATOM 55 C GLN A 4 -2.538 -2.353 -0.005 1.00 0.00 C
ATOM 56 O GLN A 4 -3.621 -1.895 -0.307 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.274 -3.873 -1.926 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.427 -4.434 -3.040 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.183 -5.436 -3.869 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -3.091 -6.105 -3.373 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.820 -5.569 -5.109 1.00 0.00 N
ATOM 62 H GLN A 4 -0.245 -4.345 -0.315 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.292 -2.002 -1.668 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.589 -4.694 -1.300 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.151 -3.418 -2.365 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.117 -3.620 -3.678 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.559 -4.915 -2.614 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -1.082 -5.023 -5.456 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -2.303 -6.229 -5.654 1.00 0.00 H
ATOM 70 N ASN A 5 -2.113 -2.411 1.222 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.935 -1.947 2.348 1.00 0.00 C
ATOM 72 C ASN A 5 -2.704 -0.465 2.549 1.00 0.00 C
ATOM 73 O ASN A 5 -3.183 0.152 3.506 1.00 0.00 O
ATOM 74 CB ASN A 5 -2.634 -2.723 3.645 1.00 0.00 C
ATOM 75 CG ASN A 5 -2.953 -4.209 3.567 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -2.868 -4.832 2.506 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -3.319 -4.790 4.675 1.00 0.00 N
ATOM 78 H ASN A 5 -1.221 -2.787 1.353 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.966 -2.088 2.066 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -1.587 -2.622 3.891 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.222 -2.292 4.440 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -3.380 -4.265 5.502 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -3.517 -5.751 4.641 1.00 0.00 H
ATOM 84 N CYS A 6 -1.967 0.080 1.631 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.643 1.468 1.564 1.00 0.00 C
ATOM 86 C CYS A 6 -2.618 2.100 0.581 1.00 0.00 C
ATOM 87 O CYS A 6 -2.579 1.786 -0.614 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.210 1.604 1.050 1.00 0.00 C
ATOM 89 SG CYS A 6 0.457 3.297 0.950 1.00 0.00 S
ATOM 90 H CYS A 6 -1.645 -0.515 0.922 1.00 0.00 H
ATOM 91 HA CYS A 6 -1.725 1.911 2.544 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.444 1.048 1.705 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.160 1.171 0.061 1.00 0.00 H
ATOM 94 N PRO A 7 -3.560 2.909 1.066 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.575 3.534 0.227 1.00 0.00 C
ATOM 96 C PRO A 7 -3.989 4.560 -0.739 1.00 0.00 C
ATOM 97 O PRO A 7 -3.379 5.554 -0.329 1.00 0.00 O
ATOM 98 CB PRO A 7 -5.513 4.223 1.228 1.00 0.00 C
ATOM 99 CG PRO A 7 -5.181 3.623 2.541 1.00 0.00 C
ATOM 100 CD PRO A 7 -3.729 3.280 2.470 1.00 0.00 C
ATOM 101 HA PRO A 7 -5.126 2.792 -0.328 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -5.326 5.285 1.219 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -6.540 4.030 0.954 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -5.368 4.334 3.333 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -5.770 2.730 2.693 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -3.120 4.137 2.715 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -3.519 2.445 3.122 1.00 0.00 H
ATOM 108 N LEU A 8 -4.127 4.278 -2.009 1.00 0.00 N
ATOM 109 CA LEU A 8 -3.713 5.193 -3.060 1.00 0.00 C
ATOM 110 C LEU A 8 -4.940 5.724 -3.763 1.00 0.00 C
ATOM 111 O LEU A 8 -4.897 6.673 -4.558 1.00 0.00 O
ATOM 112 CB LEU A 8 -2.811 4.482 -4.056 1.00 0.00 C
ATOM 113 CG LEU A 8 -1.537 3.845 -3.500 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -0.773 3.144 -4.610 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -0.661 4.887 -2.819 1.00 0.00 C
ATOM 116 H LEU A 8 -4.492 3.403 -2.260 1.00 0.00 H
ATOM 117 HA LEU A 8 -3.197 6.013 -2.603 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -3.396 3.711 -4.534 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -2.535 5.207 -4.804 1.00 0.00 H
ATOM 120 HG LEU A 8 -1.813 3.098 -2.769 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -1.396 2.379 -5.049 1.00 0.00 H
ATOM 122 HD12 LEU A 8 0.118 2.690 -4.204 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -0.498 3.862 -5.368 1.00 0.00 H
ATOM 124 HD21 LEU A 8 0.249 4.426 -2.466 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -1.197 5.319 -1.986 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -0.424 5.666 -3.528 1.00 0.00 H
ATOM 127 N GLY A 9 -5.999 5.117 -3.435 1.00 0.00 N
ATOM 128 CA GLY A 9 -7.277 5.384 -3.993 1.00 0.00 C
ATOM 129 C GLY A 9 -8.343 4.748 -3.153 1.00 0.00 C
ATOM 130 O GLY A 9 -8.883 5.426 -2.250 1.00 0.00 O
ATOM 131 OXT GLY A 9 -8.607 3.547 -3.329 1.00 0.00 O
ATOM 132 H GLY A 9 -5.866 4.445 -2.738 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -7.431 6.451 -4.031 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -7.328 4.970 -4.990 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 15
ATOM 1 N CYS A 1 5.694 2.675 0.051 1.00 0.00 N
ATOM 2 CA CYS A 1 4.967 1.510 0.503 1.00 0.00 C
ATOM 3 C CYS A 1 4.719 0.557 -0.659 1.00 0.00 C
ATOM 4 O CYS A 1 4.562 0.991 -1.801 1.00 0.00 O
ATOM 5 CB CYS A 1 3.657 1.932 1.162 1.00 0.00 C
ATOM 6 SG CYS A 1 2.612 3.018 0.153 1.00 0.00 S
ATOM 7 H1 CYS A 1 6.611 2.368 -0.326 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.839 3.346 0.830 1.00 0.00 H
ATOM 9 H3 CYS A 1 5.163 3.140 -0.713 1.00 0.00 H
ATOM 10 HA CYS A 1 5.583 1.008 1.232 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.076 1.048 1.372 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.859 2.445 2.091 1.00 0.00 H
ATOM 13 N TYR A 2 4.729 -0.739 -0.386 1.00 0.00 N
ATOM 14 CA TYR A 2 4.494 -1.741 -1.408 1.00 0.00 C
ATOM 15 C TYR A 2 3.459 -2.760 -0.963 1.00 0.00 C
ATOM 16 O TYR A 2 3.253 -3.779 -1.619 1.00 0.00 O
ATOM 17 CB TYR A 2 5.806 -2.432 -1.807 1.00 0.00 C
ATOM 18 CG TYR A 2 6.631 -2.927 -0.638 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.342 -4.123 0.006 1.00 0.00 C
ATOM 20 CD2 TYR A 2 7.692 -2.181 -0.174 1.00 0.00 C
ATOM 21 CE1 TYR A 2 7.093 -4.550 1.074 1.00 0.00 C
ATOM 22 CE2 TYR A 2 8.441 -2.596 0.889 1.00 0.00 C
ATOM 23 CZ TYR A 2 8.144 -3.778 1.514 1.00 0.00 C
ATOM 24 OH TYR A 2 8.891 -4.187 2.585 1.00 0.00 O
ATOM 25 H TYR A 2 4.929 -1.067 0.517 1.00 0.00 H
ATOM 26 HA TYR A 2 4.103 -1.225 -2.269 1.00 0.00 H
ATOM 27 HB2 TYR A 2 5.553 -3.294 -2.402 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.411 -1.752 -2.389 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.518 -4.730 -0.342 1.00 0.00 H
ATOM 30 HD2 TYR A 2 7.932 -1.250 -0.665 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.849 -5.485 1.556 1.00 0.00 H
ATOM 32 HE2 TYR A 2 9.265 -1.982 1.219 1.00 0.00 H
ATOM 33 HH TYR A 2 9.126 -5.113 2.448 1.00 0.00 H
ATOM 34 N ILE A 3 2.802 -2.479 0.136 1.00 0.00 N
ATOM 35 CA ILE A 3 1.797 -3.344 0.639 1.00 0.00 C
ATOM 36 C ILE A 3 0.503 -3.100 -0.089 1.00 0.00 C
ATOM 37 O ILE A 3 0.333 -2.091 -0.778 1.00 0.00 O
ATOM 38 CB ILE A 3 1.583 -3.201 2.167 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.247 -1.747 2.556 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.794 -3.720 2.927 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.004 -1.543 4.037 1.00 0.00 C
ATOM 42 H ILE A 3 2.963 -1.652 0.623 1.00 0.00 H
ATOM 43 HA ILE A 3 2.117 -4.354 0.431 1.00 0.00 H
ATOM 44 HB ILE A 3 0.749 -3.833 2.429 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.060 -1.099 2.262 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.354 -1.444 2.028 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.652 -3.549 3.984 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.686 -3.216 2.586 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.893 -4.779 2.750 1.00 0.00 H
ATOM 50 HD11 ILE A 3 0.784 -0.503 4.227 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.886 -1.831 4.589 1.00 0.00 H
ATOM 52 HD13 ILE A 3 0.169 -2.150 4.353 1.00 0.00 H
ATOM 53 N GLN A 4 -0.396 -3.978 0.114 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.679 -3.983 -0.582 1.00 0.00 C
ATOM 55 C GLN A 4 -2.740 -3.143 0.137 1.00 0.00 C
ATOM 56 O GLN A 4 -3.938 -3.216 -0.189 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.153 -5.416 -0.754 1.00 0.00 C
ATOM 58 CG GLN A 4 -2.440 -6.133 0.552 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.687 -7.595 0.344 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -3.819 -8.017 0.112 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -1.652 -8.376 0.439 1.00 0.00 N
ATOM 62 H GLN A 4 -0.146 -4.668 0.764 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.515 -3.557 -1.559 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -3.062 -5.412 -1.336 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.398 -5.974 -1.287 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.601 -6.008 1.221 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.320 -5.694 1.001 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -0.782 -7.967 0.641 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -1.782 -9.337 0.297 1.00 0.00 H
ATOM 70 N ASN A 5 -2.305 -2.335 1.067 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.182 -1.489 1.837 1.00 0.00 C
ATOM 72 C ASN A 5 -2.394 -0.297 2.340 1.00 0.00 C
ATOM 73 O ASN A 5 -1.988 -0.223 3.502 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.825 -2.239 3.013 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.872 -1.408 3.739 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -5.575 -0.599 3.129 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.971 -1.579 5.030 1.00 0.00 N
ATOM 78 H ASN A 5 -1.341 -2.266 1.221 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.957 -1.135 1.171 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -4.296 -3.141 2.651 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.049 -2.498 3.716 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -4.367 -2.229 5.454 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -5.633 -1.058 5.528 1.00 0.00 H
ATOM 84 N CYS A 6 -2.074 0.558 1.435 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.348 1.763 1.735 1.00 0.00 C
ATOM 86 C CYS A 6 -2.167 2.973 1.321 1.00 0.00 C
ATOM 87 O CYS A 6 -2.466 3.144 0.135 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.008 1.773 1.007 1.00 0.00 C
ATOM 89 SG CYS A 6 0.976 3.274 1.306 1.00 0.00 S
ATOM 90 H CYS A 6 -2.342 0.373 0.508 1.00 0.00 H
ATOM 91 HA CYS A 6 -1.167 1.793 2.799 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.579 0.925 1.330 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.183 1.700 -0.057 1.00 0.00 H
ATOM 94 N PRO A 7 -2.583 3.811 2.274 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.347 4.994 1.965 1.00 0.00 C
ATOM 96 C PRO A 7 -2.452 6.175 1.543 1.00 0.00 C
ATOM 97 O PRO A 7 -1.910 6.899 2.379 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.104 5.295 3.260 1.00 0.00 C
ATOM 99 CG PRO A 7 -3.275 4.689 4.359 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.360 3.659 3.728 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.048 4.786 1.172 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -4.199 6.363 3.377 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.085 4.845 3.217 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -2.687 5.461 4.835 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.921 4.221 5.086 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.329 3.863 3.979 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -2.638 2.668 4.058 1.00 0.00 H
ATOM 108 N LEU A 8 -2.248 6.318 0.246 1.00 0.00 N
ATOM 109 CA LEU A 8 -1.444 7.427 -0.296 1.00 0.00 C
ATOM 110 C LEU A 8 -2.328 8.595 -0.637 1.00 0.00 C
ATOM 111 O LEU A 8 -1.884 9.742 -0.795 1.00 0.00 O
ATOM 112 CB LEU A 8 -0.637 6.990 -1.525 1.00 0.00 C
ATOM 113 CG LEU A 8 0.449 5.942 -1.290 1.00 0.00 C
ATOM 114 CD1 LEU A 8 1.018 5.467 -2.617 1.00 0.00 C
ATOM 115 CD2 LEU A 8 1.559 6.528 -0.434 1.00 0.00 C
ATOM 116 H LEU A 8 -2.626 5.647 -0.366 1.00 0.00 H
ATOM 117 HA LEU A 8 -0.787 7.743 0.486 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -1.322 6.602 -2.261 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -0.165 7.870 -1.937 1.00 0.00 H
ATOM 120 HG LEU A 8 0.031 5.093 -0.770 1.00 0.00 H
ATOM 121 HD11 LEU A 8 1.453 6.304 -3.144 1.00 0.00 H
ATOM 122 HD12 LEU A 8 0.227 5.037 -3.215 1.00 0.00 H
ATOM 123 HD13 LEU A 8 1.777 4.721 -2.436 1.00 0.00 H
ATOM 124 HD21 LEU A 8 1.154 6.846 0.515 1.00 0.00 H
ATOM 125 HD22 LEU A 8 1.993 7.377 -0.941 1.00 0.00 H
ATOM 126 HD23 LEU A 8 2.320 5.779 -0.270 1.00 0.00 H
ATOM 127 N GLY A 9 -3.551 8.300 -0.688 1.00 0.00 N
ATOM 128 CA GLY A 9 -4.555 9.242 -1.038 1.00 0.00 C
ATOM 129 C GLY A 9 -5.761 8.528 -1.528 1.00 0.00 C
ATOM 130 O GLY A 9 -6.879 9.031 -1.358 1.00 0.00 O
ATOM 131 OXT GLY A 9 -5.606 7.409 -2.074 1.00 0.00 O
ATOM 132 H GLY A 9 -3.742 7.368 -0.460 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -4.809 9.829 -0.168 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -4.187 9.891 -1.820 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 16
ATOM 1 N CYS A 1 5.503 2.610 -0.557 1.00 0.00 N
ATOM 2 CA CYS A 1 4.294 2.096 0.057 1.00 0.00 C
ATOM 3 C CYS A 1 4.449 0.603 0.263 1.00 0.00 C
ATOM 4 O CYS A 1 5.544 0.070 0.070 1.00 0.00 O
ATOM 5 CB CYS A 1 3.079 2.432 -0.826 1.00 0.00 C
ATOM 6 SG CYS A 1 3.180 1.822 -2.547 1.00 0.00 S
ATOM 7 H1 CYS A 1 5.448 3.642 -0.669 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.602 2.166 -1.493 1.00 0.00 H
ATOM 9 H3 CYS A 1 6.324 2.348 0.019 1.00 0.00 H
ATOM 10 HA CYS A 1 4.188 2.567 1.020 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.194 1.997 -0.385 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.963 3.505 -0.861 1.00 0.00 H
ATOM 13 N TYR A 2 3.398 -0.075 0.679 1.00 0.00 N
ATOM 14 CA TYR A 2 3.444 -1.478 0.899 1.00 0.00 C
ATOM 15 C TYR A 2 2.820 -2.138 -0.330 1.00 0.00 C
ATOM 16 O TYR A 2 2.820 -1.553 -1.415 1.00 0.00 O
ATOM 17 CB TYR A 2 2.625 -1.804 2.162 1.00 0.00 C
ATOM 18 CG TYR A 2 3.038 -1.040 3.416 1.00 0.00 C
ATOM 19 CD1 TYR A 2 4.059 -1.493 4.231 1.00 0.00 C
ATOM 20 CD2 TYR A 2 2.385 0.131 3.783 1.00 0.00 C
ATOM 21 CE1 TYR A 2 4.417 -0.801 5.372 1.00 0.00 C
ATOM 22 CE2 TYR A 2 2.736 0.824 4.915 1.00 0.00 C
ATOM 23 CZ TYR A 2 3.752 0.357 5.708 1.00 0.00 C
ATOM 24 OH TYR A 2 4.107 1.049 6.836 1.00 0.00 O
ATOM 25 H TYR A 2 2.518 0.323 0.842 1.00 0.00 H
ATOM 26 HA TYR A 2 4.468 -1.795 1.031 1.00 0.00 H
ATOM 27 HB2 TYR A 2 1.592 -1.569 1.961 1.00 0.00 H
ATOM 28 HB3 TYR A 2 2.707 -2.857 2.375 1.00 0.00 H
ATOM 29 HD1 TYR A 2 4.582 -2.401 3.968 1.00 0.00 H
ATOM 30 HD2 TYR A 2 1.583 0.500 3.160 1.00 0.00 H
ATOM 31 HE1 TYR A 2 5.219 -1.173 5.994 1.00 0.00 H
ATOM 32 HE2 TYR A 2 2.207 1.731 5.169 1.00 0.00 H
ATOM 33 HH TYR A 2 3.309 1.354 7.287 1.00 0.00 H
ATOM 34 N ILE A 3 2.296 -3.304 -0.172 1.00 0.00 N
ATOM 35 CA ILE A 3 1.642 -4.004 -1.282 1.00 0.00 C
ATOM 36 C ILE A 3 0.161 -3.769 -1.240 1.00 0.00 C
ATOM 37 O ILE A 3 -0.413 -3.024 -2.052 1.00 0.00 O
ATOM 38 CB ILE A 3 1.959 -5.538 -1.322 1.00 0.00 C
ATOM 39 CG1 ILE A 3 3.458 -5.766 -1.550 1.00 0.00 C
ATOM 40 CG2 ILE A 3 1.143 -6.244 -2.415 1.00 0.00 C
ATOM 41 CD1 ILE A 3 3.860 -7.224 -1.635 1.00 0.00 C
ATOM 42 H ILE A 3 2.348 -3.671 0.736 1.00 0.00 H
ATOM 43 HA ILE A 3 1.966 -3.555 -2.196 1.00 0.00 H
ATOM 44 HB ILE A 3 1.682 -5.965 -0.369 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.746 -5.295 -2.478 1.00 0.00 H
ATOM 46 HG13 ILE A 3 4.009 -5.314 -0.738 1.00 0.00 H
ATOM 47 HG21 ILE A 3 1.384 -5.812 -3.376 1.00 0.00 H
ATOM 48 HG22 ILE A 3 0.089 -6.118 -2.217 1.00 0.00 H
ATOM 49 HG23 ILE A 3 1.384 -7.297 -2.422 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.620 -7.721 -0.708 1.00 0.00 H
ATOM 51 HD12 ILE A 3 4.920 -7.296 -1.819 1.00 0.00 H
ATOM 52 HD13 ILE A 3 3.323 -7.698 -2.444 1.00 0.00 H
ATOM 53 N GLN A 4 -0.415 -4.350 -0.261 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.851 -4.284 0.015 1.00 0.00 C
ATOM 55 C GLN A 4 -2.183 -2.941 0.616 1.00 0.00 C
ATOM 56 O GLN A 4 -3.267 -2.390 0.437 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.281 -5.448 0.932 1.00 0.00 C
ATOM 58 CG GLN A 4 -3.754 -5.447 1.336 1.00 0.00 C
ATOM 59 CD GLN A 4 -4.700 -5.506 0.153 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -4.390 -6.080 -0.892 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -5.843 -4.899 0.297 1.00 0.00 N
ATOM 62 H GLN A 4 0.224 -4.855 0.282 1.00 0.00 H
ATOM 63 HA GLN A 4 -2.356 -4.349 -0.928 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.078 -6.378 0.422 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.684 -5.409 1.830 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -3.942 -6.305 1.966 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.955 -4.545 1.896 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -6.021 -4.446 1.152 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -6.491 -4.896 -0.436 1.00 0.00 H
ATOM 70 N ASN A 5 -1.203 -2.398 1.227 1.00 0.00 N
ATOM 71 CA ASN A 5 -1.282 -1.106 1.844 1.00 0.00 C
ATOM 72 C ASN A 5 -0.605 -0.109 0.980 1.00 0.00 C
ATOM 73 O ASN A 5 0.418 0.480 1.314 1.00 0.00 O
ATOM 74 CB ASN A 5 -0.780 -1.057 3.292 1.00 0.00 C
ATOM 75 CG ASN A 5 -1.737 -1.687 4.264 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -1.651 -2.872 4.568 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -2.661 -0.907 4.754 1.00 0.00 N
ATOM 78 H ASN A 5 -0.385 -2.923 1.170 1.00 0.00 H
ATOM 79 HA ASN A 5 -2.333 -0.863 1.831 1.00 0.00 H
ATOM 80 HB2 ASN A 5 0.158 -1.586 3.370 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -0.631 -0.026 3.579 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.678 0.032 4.471 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -3.334 -1.281 5.364 1.00 0.00 H
ATOM 84 N CYS A 6 -1.082 -0.083 -0.203 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.690 0.877 -1.183 1.00 0.00 C
ATOM 86 C CYS A 6 -1.854 1.073 -2.124 1.00 0.00 C
ATOM 87 O CYS A 6 -2.072 0.258 -3.026 1.00 0.00 O
ATOM 88 CB CYS A 6 0.548 0.412 -1.951 1.00 0.00 C
ATOM 89 SG CYS A 6 1.237 1.641 -3.110 1.00 0.00 S
ATOM 90 H CYS A 6 -1.724 -0.795 -0.412 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.476 1.806 -0.677 1.00 0.00 H
ATOM 92 HB2 CYS A 6 1.325 0.154 -1.248 1.00 0.00 H
ATOM 93 HB3 CYS A 6 0.289 -0.468 -2.521 1.00 0.00 H
ATOM 94 N PRO A 7 -2.683 2.079 -1.866 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.829 2.362 -2.701 1.00 0.00 C
ATOM 96 C PRO A 7 -3.429 3.120 -3.974 1.00 0.00 C
ATOM 97 O PRO A 7 -2.549 3.977 -3.951 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.722 3.215 -1.802 1.00 0.00 C
ATOM 99 CG PRO A 7 -3.781 3.914 -0.882 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.582 3.018 -0.722 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.340 1.450 -2.971 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -5.279 3.916 -2.406 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.405 2.581 -1.258 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -3.481 4.849 -1.329 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -4.254 4.087 0.073 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.673 3.598 -0.781 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -2.629 2.487 0.217 1.00 0.00 H
ATOM 108 N LEU A 8 -4.062 2.788 -5.072 1.00 0.00 N
ATOM 109 CA LEU A 8 -3.776 3.412 -6.369 1.00 0.00 C
ATOM 110 C LEU A 8 -4.749 4.543 -6.645 1.00 0.00 C
ATOM 111 O LEU A 8 -4.718 5.211 -7.694 1.00 0.00 O
ATOM 112 CB LEU A 8 -3.830 2.393 -7.515 1.00 0.00 C
ATOM 113 CG LEU A 8 -2.715 1.318 -7.595 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -2.792 0.306 -6.455 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -2.759 0.611 -8.937 1.00 0.00 C
ATOM 116 H LEU A 8 -4.756 2.095 -5.015 1.00 0.00 H
ATOM 117 HA LEU A 8 -2.788 3.833 -6.307 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -4.779 1.883 -7.440 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -3.834 2.976 -8.419 1.00 0.00 H
ATOM 120 HG LEU A 8 -1.761 1.814 -7.515 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -2.704 0.823 -5.511 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -1.985 -0.404 -6.554 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -3.737 -0.215 -6.496 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -2.597 1.328 -9.729 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -3.722 0.140 -9.067 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -1.984 -0.142 -8.970 1.00 0.00 H
ATOM 127 N GLY A 9 -5.568 4.738 -5.705 1.00 0.00 N
ATOM 128 CA GLY A 9 -6.591 5.722 -5.728 1.00 0.00 C
ATOM 129 C GLY A 9 -7.180 5.803 -4.364 1.00 0.00 C
ATOM 130 O GLY A 9 -6.433 5.539 -3.396 1.00 0.00 O
ATOM 131 OXT GLY A 9 -8.388 6.083 -4.228 1.00 0.00 O
ATOM 132 H GLY A 9 -5.452 4.174 -4.917 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -6.172 6.677 -6.006 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -7.363 5.438 -6.428 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 17
ATOM 1 N CYS A 1 4.867 2.560 -0.553 1.00 0.00 N
ATOM 2 CA CYS A 1 4.329 1.396 0.132 1.00 0.00 C
ATOM 3 C CYS A 1 4.492 0.171 -0.730 1.00 0.00 C
ATOM 4 O CYS A 1 4.287 0.235 -1.936 1.00 0.00 O
ATOM 5 CB CYS A 1 2.846 1.567 0.428 1.00 0.00 C
ATOM 6 SG CYS A 1 2.396 2.991 1.466 1.00 0.00 S
ATOM 7 H1 CYS A 1 4.377 2.677 -1.463 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.881 2.432 -0.745 1.00 0.00 H
ATOM 9 H3 CYS A 1 4.730 3.420 0.013 1.00 0.00 H
ATOM 10 HA CYS A 1 4.866 1.268 1.058 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.301 1.656 -0.501 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.512 0.674 0.933 1.00 0.00 H
ATOM 13 N TYR A 2 4.841 -0.947 -0.124 1.00 0.00 N
ATOM 14 CA TYR A 2 4.997 -2.184 -0.861 1.00 0.00 C
ATOM 15 C TYR A 2 3.838 -3.116 -0.499 1.00 0.00 C
ATOM 16 O TYR A 2 3.778 -4.277 -0.900 1.00 0.00 O
ATOM 17 CB TYR A 2 6.353 -2.817 -0.531 1.00 0.00 C
ATOM 18 CG TYR A 2 6.815 -3.857 -1.527 1.00 0.00 C
ATOM 19 CD1 TYR A 2 7.369 -3.469 -2.736 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.703 -5.214 -1.266 1.00 0.00 C
ATOM 21 CE1 TYR A 2 7.796 -4.397 -3.653 1.00 0.00 C
ATOM 22 CE2 TYR A 2 7.131 -6.151 -2.180 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.675 -5.737 -3.369 1.00 0.00 C
ATOM 24 OH TYR A 2 8.102 -6.662 -4.274 1.00 0.00 O
ATOM 25 H TYR A 2 5.012 -0.941 0.845 1.00 0.00 H
ATOM 26 HA TYR A 2 4.948 -1.951 -1.912 1.00 0.00 H
ATOM 27 HB2 TYR A 2 7.094 -2.033 -0.509 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.298 -3.280 0.443 1.00 0.00 H
ATOM 29 HD1 TYR A 2 7.463 -2.416 -2.957 1.00 0.00 H
ATOM 30 HD2 TYR A 2 6.273 -5.536 -0.330 1.00 0.00 H
ATOM 31 HE1 TYR A 2 8.221 -4.065 -4.588 1.00 0.00 H
ATOM 32 HE2 TYR A 2 7.035 -7.202 -1.960 1.00 0.00 H
ATOM 33 HH TYR A 2 8.984 -6.415 -4.576 1.00 0.00 H
ATOM 34 N ILE A 3 2.920 -2.573 0.249 1.00 0.00 N
ATOM 35 CA ILE A 3 1.764 -3.254 0.676 1.00 0.00 C
ATOM 36 C ILE A 3 0.586 -2.675 -0.062 1.00 0.00 C
ATOM 37 O ILE A 3 0.549 -1.468 -0.355 1.00 0.00 O
ATOM 38 CB ILE A 3 1.541 -3.101 2.211 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.394 -1.613 2.612 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.680 -3.762 2.980 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.093 -1.378 4.077 1.00 0.00 C
ATOM 42 H ILE A 3 2.987 -1.639 0.509 1.00 0.00 H
ATOM 43 HA ILE A 3 1.868 -4.302 0.439 1.00 0.00 H
ATOM 44 HB ILE A 3 0.628 -3.621 2.457 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.308 -1.092 2.376 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.592 -1.181 2.033 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.505 -3.660 4.040 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.610 -3.279 2.721 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.735 -4.808 2.719 1.00 0.00 H
ATOM 50 HD11 ILE A 3 0.150 -1.840 4.327 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.035 -0.317 4.267 1.00 0.00 H
ATOM 52 HD13 ILE A 3 1.876 -1.813 4.678 1.00 0.00 H
ATOM 53 N GLN A 4 -0.365 -3.501 -0.342 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.571 -3.081 -1.057 1.00 0.00 C
ATOM 55 C GLN A 4 -2.541 -2.433 -0.077 1.00 0.00 C
ATOM 56 O GLN A 4 -3.533 -1.811 -0.451 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.217 -4.260 -1.803 1.00 0.00 C
ATOM 58 CG GLN A 4 -3.371 -3.870 -2.721 1.00 0.00 C
ATOM 59 CD GLN A 4 -4.008 -5.056 -3.416 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -4.026 -6.170 -2.892 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -4.550 -4.833 -4.586 1.00 0.00 N
ATOM 62 H GLN A 4 -0.219 -4.430 -0.066 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.268 -2.321 -1.755 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -1.465 -4.749 -2.404 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -2.591 -4.965 -1.074 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -4.127 -3.374 -2.131 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.000 -3.185 -3.470 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -4.518 -3.922 -4.951 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -4.986 -5.579 -5.052 1.00 0.00 H
ATOM 70 N ASN A 5 -2.185 -2.522 1.167 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.959 -1.961 2.276 1.00 0.00 C
ATOM 72 C ASN A 5 -2.545 -0.528 2.544 1.00 0.00 C
ATOM 73 O ASN A 5 -2.818 0.021 3.602 1.00 0.00 O
ATOM 74 CB ASN A 5 -2.782 -2.790 3.556 1.00 0.00 C
ATOM 75 CG ASN A 5 -3.412 -4.163 3.482 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -2.772 -5.137 3.078 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.647 -4.255 3.878 1.00 0.00 N
ATOM 78 H ASN A 5 -1.343 -2.999 1.316 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.000 -1.973 1.992 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -1.726 -2.920 3.740 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.218 -2.252 4.385 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -5.093 -3.440 4.199 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -5.109 -5.120 3.840 1.00 0.00 H
ATOM 84 N CYS A 6 -1.900 0.071 1.587 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.473 1.441 1.708 1.00 0.00 C
ATOM 86 C CYS A 6 -2.639 2.340 1.324 1.00 0.00 C
ATOM 87 O CYS A 6 -3.208 2.174 0.239 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.279 1.701 0.789 1.00 0.00 C
ATOM 89 SG CYS A 6 0.469 3.370 0.934 1.00 0.00 S
ATOM 90 H CYS A 6 -1.738 -0.419 0.757 1.00 0.00 H
ATOM 91 HA CYS A 6 -1.185 1.616 2.734 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.491 0.979 1.015 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.593 1.566 -0.235 1.00 0.00 H
ATOM 94 N PRO A 7 -3.070 3.241 2.221 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.167 4.160 1.942 1.00 0.00 C
ATOM 96 C PRO A 7 -3.820 5.128 0.808 1.00 0.00 C
ATOM 97 O PRO A 7 -2.708 5.682 0.766 1.00 0.00 O
ATOM 98 CB PRO A 7 -4.350 4.937 3.252 1.00 0.00 C
ATOM 99 CG PRO A 7 -3.633 4.148 4.290 1.00 0.00 C
ATOM 100 CD PRO A 7 -2.539 3.416 3.582 1.00 0.00 C
ATOM 101 HA PRO A 7 -5.069 3.619 1.705 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.932 5.927 3.148 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -5.403 5.018 3.483 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -3.219 4.812 5.034 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -4.311 3.450 4.756 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.632 4.002 3.569 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -2.375 2.462 4.058 1.00 0.00 H
ATOM 108 N LEU A 8 -4.756 5.333 -0.105 1.00 0.00 N
ATOM 109 CA LEU A 8 -4.546 6.251 -1.238 1.00 0.00 C
ATOM 110 C LEU A 8 -5.041 7.627 -0.911 1.00 0.00 C
ATOM 111 O LEU A 8 -4.884 8.571 -1.685 1.00 0.00 O
ATOM 112 CB LEU A 8 -5.210 5.772 -2.542 1.00 0.00 C
ATOM 113 CG LEU A 8 -4.611 4.561 -3.285 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -3.146 4.771 -3.608 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -4.826 3.270 -2.532 1.00 0.00 C
ATOM 116 H LEU A 8 -5.611 4.854 -0.027 1.00 0.00 H
ATOM 117 HA LEU A 8 -3.485 6.324 -1.376 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -6.236 5.532 -2.308 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -5.213 6.622 -3.206 1.00 0.00 H
ATOM 120 HG LEU A 8 -5.117 4.482 -4.236 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -2.769 3.912 -4.143 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -2.590 4.892 -2.691 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -3.032 5.653 -4.220 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -5.884 3.108 -2.392 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -4.340 3.329 -1.569 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -4.408 2.453 -3.101 1.00 0.00 H
ATOM 127 N GLY A 9 -5.608 7.722 0.218 1.00 0.00 N
ATOM 128 CA GLY A 9 -6.180 8.936 0.676 1.00 0.00 C
ATOM 129 C GLY A 9 -6.914 8.704 1.945 1.00 0.00 C
ATOM 130 O GLY A 9 -6.506 7.810 2.719 1.00 0.00 O
ATOM 131 OXT GLY A 9 -7.912 9.382 2.197 1.00 0.00 O
ATOM 132 H GLY A 9 -5.617 6.909 0.760 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -5.393 9.654 0.848 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -6.868 9.317 -0.064 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 18
ATOM 1 N CYS A 1 4.116 2.457 -0.838 1.00 0.00 N
ATOM 2 CA CYS A 1 4.175 1.336 0.092 1.00 0.00 C
ATOM 3 C CYS A 1 4.452 0.060 -0.675 1.00 0.00 C
ATOM 4 O CYS A 1 4.293 0.027 -1.893 1.00 0.00 O
ATOM 5 CB CYS A 1 2.846 1.210 0.828 1.00 0.00 C
ATOM 6 SG CYS A 1 2.354 2.687 1.767 1.00 0.00 S
ATOM 7 H1 CYS A 1 3.356 2.295 -1.530 1.00 0.00 H
ATOM 8 H2 CYS A 1 5.010 2.530 -1.363 1.00 0.00 H
ATOM 9 H3 CYS A 1 3.932 3.347 -0.335 1.00 0.00 H
ATOM 10 HA CYS A 1 4.968 1.505 0.803 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.073 1.007 0.104 1.00 0.00 H
ATOM 12 HB3 CYS A 1 2.892 0.377 1.515 1.00 0.00 H
ATOM 13 N TYR A 2 4.886 -0.982 0.019 1.00 0.00 N
ATOM 14 CA TYR A 2 5.153 -2.268 -0.624 1.00 0.00 C
ATOM 15 C TYR A 2 3.988 -3.224 -0.381 1.00 0.00 C
ATOM 16 O TYR A 2 4.030 -4.405 -0.726 1.00 0.00 O
ATOM 17 CB TYR A 2 6.481 -2.873 -0.119 1.00 0.00 C
ATOM 18 CG TYR A 2 6.526 -3.151 1.371 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.046 -4.347 1.884 1.00 0.00 C
ATOM 20 CD2 TYR A 2 7.039 -2.223 2.258 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.072 -4.608 3.224 1.00 0.00 C
ATOM 22 CE2 TYR A 2 7.070 -2.479 3.610 1.00 0.00 C
ATOM 23 CZ TYR A 2 6.583 -3.675 4.085 1.00 0.00 C
ATOM 24 OH TYR A 2 6.606 -3.935 5.426 1.00 0.00 O
ATOM 25 H TYR A 2 5.056 -0.900 0.984 1.00 0.00 H
ATOM 26 HA TYR A 2 5.222 -2.087 -1.686 1.00 0.00 H
ATOM 27 HB2 TYR A 2 6.641 -3.811 -0.624 1.00 0.00 H
ATOM 28 HB3 TYR A 2 7.291 -2.199 -0.359 1.00 0.00 H
ATOM 29 HD1 TYR A 2 5.643 -5.088 1.209 1.00 0.00 H
ATOM 30 HD2 TYR A 2 7.419 -1.283 1.885 1.00 0.00 H
ATOM 31 HE1 TYR A 2 5.681 -5.549 3.582 1.00 0.00 H
ATOM 32 HE2 TYR A 2 7.473 -1.738 4.282 1.00 0.00 H
ATOM 33 HH TYR A 2 6.826 -4.869 5.551 1.00 0.00 H
ATOM 34 N ILE A 3 2.965 -2.688 0.223 1.00 0.00 N
ATOM 35 CA ILE A 3 1.774 -3.380 0.537 1.00 0.00 C
ATOM 36 C ILE A 3 0.635 -2.638 -0.107 1.00 0.00 C
ATOM 37 O ILE A 3 0.699 -1.408 -0.258 1.00 0.00 O
ATOM 38 CB ILE A 3 1.536 -3.453 2.072 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.632 -2.057 2.726 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.481 -4.445 2.733 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.280 -2.038 4.198 1.00 0.00 C
ATOM 42 H ILE A 3 2.962 -1.742 0.450 1.00 0.00 H
ATOM 43 HA ILE A 3 1.834 -4.383 0.139 1.00 0.00 H
ATOM 44 HB ILE A 3 0.534 -3.822 2.210 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.643 -1.693 2.628 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.963 -1.382 2.212 1.00 0.00 H
ATOM 47 HG21 ILE A 3 2.294 -4.466 3.796 1.00 0.00 H
ATOM 48 HG22 ILE A 3 3.502 -4.143 2.553 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.318 -5.430 2.320 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.358 -1.030 4.574 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.960 -2.680 4.738 1.00 0.00 H
ATOM 52 HD13 ILE A 3 0.269 -2.393 4.330 1.00 0.00 H
ATOM 53 N GLN A 4 -0.390 -3.350 -0.467 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.548 -2.757 -1.136 1.00 0.00 C
ATOM 55 C GLN A 4 -2.480 -2.138 -0.109 1.00 0.00 C
ATOM 56 O GLN A 4 -3.405 -1.393 -0.429 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.282 -3.785 -1.991 1.00 0.00 C
ATOM 58 CG GLN A 4 -3.070 -4.815 -1.195 1.00 0.00 C
ATOM 59 CD GLN A 4 -3.715 -5.862 -2.060 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -4.054 -5.616 -3.221 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -3.924 -7.014 -1.506 1.00 0.00 N
ATOM 62 H GLN A 4 -0.356 -4.312 -0.270 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.173 -1.962 -1.755 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.961 -3.272 -2.655 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.541 -4.311 -2.577 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -2.405 -5.311 -0.506 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.841 -4.303 -0.638 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -3.656 -7.139 -0.569 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -4.343 -7.722 -2.038 1.00 0.00 H
ATOM 70 N ASN A 5 -2.189 -2.433 1.116 1.00 0.00 N
ATOM 71 CA ASN A 5 -2.914 -1.918 2.275 1.00 0.00 C
ATOM 72 C ASN A 5 -2.155 -0.723 2.814 1.00 0.00 C
ATOM 73 O ASN A 5 -2.113 -0.473 4.016 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.039 -3.008 3.360 1.00 0.00 C
ATOM 75 CG ASN A 5 -3.841 -4.214 2.898 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -4.737 -4.102 2.060 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -3.540 -5.365 3.433 1.00 0.00 N
ATOM 78 H ASN A 5 -1.427 -3.040 1.216 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.896 -1.606 1.953 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -2.051 -3.344 3.636 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.523 -2.585 4.229 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -2.825 -5.404 4.100 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -4.021 -6.164 3.122 1.00 0.00 H
ATOM 84 N CYS A 6 -1.576 0.012 1.880 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.771 1.194 2.123 1.00 0.00 C
ATOM 86 C CYS A 6 -1.536 2.209 2.965 1.00 0.00 C
ATOM 87 O CYS A 6 -2.667 2.571 2.614 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.407 1.821 0.768 1.00 0.00 C
ATOM 89 SG CYS A 6 0.659 3.309 0.847 1.00 0.00 S
ATOM 90 H CYS A 6 -1.725 -0.265 0.953 1.00 0.00 H
ATOM 91 HA CYS A 6 0.142 0.900 2.616 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.088 1.083 0.158 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -1.326 2.102 0.274 1.00 0.00 H
ATOM 94 N PRO A 7 -0.961 2.647 4.103 1.00 0.00 N
ATOM 95 CA PRO A 7 -1.571 3.668 4.942 1.00 0.00 C
ATOM 96 C PRO A 7 -1.663 4.990 4.187 1.00 0.00 C
ATOM 97 O PRO A 7 -0.663 5.687 4.000 1.00 0.00 O
ATOM 98 CB PRO A 7 -0.612 3.806 6.136 1.00 0.00 C
ATOM 99 CG PRO A 7 0.241 2.587 6.100 1.00 0.00 C
ATOM 100 CD PRO A 7 0.318 2.168 4.666 1.00 0.00 C
ATOM 101 HA PRO A 7 -2.553 3.372 5.279 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -0.022 4.702 6.019 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -1.180 3.862 7.052 1.00 0.00 H
ATOM 104 HG2 PRO A 7 1.229 2.814 6.478 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -0.214 1.807 6.693 1.00 0.00 H
ATOM 106 HD2 PRO A 7 1.159 2.637 4.175 1.00 0.00 H
ATOM 107 HD3 PRO A 7 0.387 1.093 4.603 1.00 0.00 H
ATOM 108 N LEU A 8 -2.843 5.301 3.705 1.00 0.00 N
ATOM 109 CA LEU A 8 -3.045 6.508 2.912 1.00 0.00 C
ATOM 110 C LEU A 8 -3.703 7.574 3.725 1.00 0.00 C
ATOM 111 O LEU A 8 -3.853 8.722 3.298 1.00 0.00 O
ATOM 112 CB LEU A 8 -3.874 6.213 1.677 1.00 0.00 C
ATOM 113 CG LEU A 8 -3.277 5.249 0.656 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -4.255 5.017 -0.476 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -1.969 5.788 0.115 1.00 0.00 C
ATOM 116 H LEU A 8 -3.592 4.688 3.865 1.00 0.00 H
ATOM 117 HA LEU A 8 -2.078 6.865 2.618 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -4.812 5.796 2.014 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -4.073 7.154 1.190 1.00 0.00 H
ATOM 120 HG LEU A 8 -3.083 4.299 1.135 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -4.472 5.954 -0.965 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -5.170 4.598 -0.081 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -3.824 4.330 -1.188 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -2.134 6.751 -0.344 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -1.581 5.100 -0.622 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -1.256 5.884 0.920 1.00 0.00 H
ATOM 127 N GLY A 9 -4.054 7.197 4.866 1.00 0.00 N
ATOM 128 CA GLY A 9 -4.724 8.051 5.779 1.00 0.00 C
ATOM 129 C GLY A 9 -5.514 7.229 6.725 1.00 0.00 C
ATOM 130 O GLY A 9 -4.970 6.831 7.755 1.00 0.00 O
ATOM 131 OXT GLY A 9 -6.685 6.906 6.420 1.00 0.00 O
ATOM 132 H GLY A 9 -3.824 6.269 5.071 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -3.998 8.640 6.323 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -5.391 8.704 5.237 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 19
ATOM 1 N CYS A 1 5.102 2.632 -0.660 1.00 0.00 N
ATOM 2 CA CYS A 1 4.720 1.536 0.204 1.00 0.00 C
ATOM 3 C CYS A 1 4.586 0.273 -0.618 1.00 0.00 C
ATOM 4 O CYS A 1 4.026 0.292 -1.718 1.00 0.00 O
ATOM 5 CB CYS A 1 3.408 1.871 0.898 1.00 0.00 C
ATOM 6 SG CYS A 1 2.079 2.354 -0.245 1.00 0.00 S
ATOM 7 H1 CYS A 1 4.373 2.752 -1.389 1.00 0.00 H
ATOM 8 H2 CYS A 1 6.011 2.407 -1.114 1.00 0.00 H
ATOM 9 H3 CYS A 1 5.211 3.509 -0.118 1.00 0.00 H
ATOM 10 HA CYS A 1 5.495 1.399 0.942 1.00 0.00 H
ATOM 11 HB2 CYS A 1 3.070 1.003 1.445 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.561 2.686 1.590 1.00 0.00 H
ATOM 13 N TYR A 2 5.097 -0.814 -0.113 1.00 0.00 N
ATOM 14 CA TYR A 2 5.068 -2.070 -0.820 1.00 0.00 C
ATOM 15 C TYR A 2 4.028 -2.978 -0.162 1.00 0.00 C
ATOM 16 O TYR A 2 4.317 -4.083 0.293 1.00 0.00 O
ATOM 17 CB TYR A 2 6.483 -2.684 -0.799 1.00 0.00 C
ATOM 18 CG TYR A 2 6.686 -3.896 -1.687 1.00 0.00 C
ATOM 19 CD1 TYR A 2 6.512 -3.810 -3.058 1.00 0.00 C
ATOM 20 CD2 TYR A 2 7.075 -5.112 -1.151 1.00 0.00 C
ATOM 21 CE1 TYR A 2 6.713 -4.903 -3.869 1.00 0.00 C
ATOM 22 CE2 TYR A 2 7.278 -6.210 -1.955 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.094 -6.102 -3.313 1.00 0.00 C
ATOM 24 OH TYR A 2 7.294 -7.195 -4.121 1.00 0.00 O
ATOM 25 H TYR A 2 5.512 -0.797 0.778 1.00 0.00 H
ATOM 26 HA TYR A 2 4.773 -1.877 -1.841 1.00 0.00 H
ATOM 27 HB2 TYR A 2 7.189 -1.931 -1.117 1.00 0.00 H
ATOM 28 HB3 TYR A 2 6.716 -2.969 0.215 1.00 0.00 H
ATOM 29 HD1 TYR A 2 6.208 -2.870 -3.495 1.00 0.00 H
ATOM 30 HD2 TYR A 2 7.219 -5.195 -0.084 1.00 0.00 H
ATOM 31 HE1 TYR A 2 6.570 -4.808 -4.936 1.00 0.00 H
ATOM 32 HE2 TYR A 2 7.579 -7.148 -1.510 1.00 0.00 H
ATOM 33 HH TYR A 2 7.013 -7.989 -3.640 1.00 0.00 H
ATOM 34 N ILE A 3 2.810 -2.478 -0.095 1.00 0.00 N
ATOM 35 CA ILE A 3 1.721 -3.175 0.535 1.00 0.00 C
ATOM 36 C ILE A 3 0.518 -2.937 -0.350 1.00 0.00 C
ATOM 37 O ILE A 3 0.537 -2.041 -1.199 1.00 0.00 O
ATOM 38 CB ILE A 3 1.362 -2.569 1.941 1.00 0.00 C
ATOM 39 CG1 ILE A 3 2.599 -2.006 2.661 1.00 0.00 C
ATOM 40 CG2 ILE A 3 0.696 -3.634 2.823 1.00 0.00 C
ATOM 41 CD1 ILE A 3 2.298 -1.301 3.967 1.00 0.00 C
ATOM 42 H ILE A 3 2.588 -1.628 -0.528 1.00 0.00 H
ATOM 43 HA ILE A 3 1.943 -4.227 0.627 1.00 0.00 H
ATOM 44 HB ILE A 3 0.638 -1.789 1.775 1.00 0.00 H
ATOM 45 HG12 ILE A 3 3.273 -2.820 2.878 1.00 0.00 H
ATOM 46 HG13 ILE A 3 3.095 -1.305 2.006 1.00 0.00 H
ATOM 47 HG21 ILE A 3 0.485 -3.211 3.794 1.00 0.00 H
ATOM 48 HG22 ILE A 3 1.360 -4.478 2.935 1.00 0.00 H
ATOM 49 HG23 ILE A 3 -0.227 -3.956 2.364 1.00 0.00 H
ATOM 50 HD11 ILE A 3 3.217 -0.942 4.406 1.00 0.00 H
ATOM 51 HD12 ILE A 3 1.825 -1.998 4.644 1.00 0.00 H
ATOM 52 HD13 ILE A 3 1.635 -0.467 3.785 1.00 0.00 H
ATOM 53 N GLN A 4 -0.513 -3.682 -0.139 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.753 -3.506 -0.879 1.00 0.00 C
ATOM 55 C GLN A 4 -2.765 -2.806 0.014 1.00 0.00 C
ATOM 56 O GLN A 4 -3.918 -2.582 -0.365 1.00 0.00 O
ATOM 57 CB GLN A 4 -2.319 -4.842 -1.356 1.00 0.00 C
ATOM 58 CG GLN A 4 -1.378 -5.662 -2.227 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.021 -6.937 -2.759 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -1.658 -7.427 -3.833 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -2.992 -7.467 -2.046 1.00 0.00 N
ATOM 62 H GLN A 4 -0.418 -4.380 0.543 1.00 0.00 H
ATOM 63 HA GLN A 4 -1.538 -2.875 -1.726 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.554 -5.433 -0.483 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -3.228 -4.661 -1.910 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.072 -5.057 -3.069 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -0.508 -5.927 -1.646 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -3.267 -7.033 -1.210 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -3.417 -8.285 -2.381 1.00 0.00 H
ATOM 70 N ASN A 5 -2.301 -2.437 1.183 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.131 -1.812 2.205 1.00 0.00 C
ATOM 72 C ASN A 5 -2.718 -0.392 2.434 1.00 0.00 C
ATOM 73 O ASN A 5 -2.973 0.168 3.502 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.060 -2.578 3.532 1.00 0.00 C
ATOM 75 CG ASN A 5 -3.702 -3.931 3.460 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -3.049 -4.925 3.152 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.977 -3.989 3.728 1.00 0.00 N
ATOM 78 H ASN A 5 -1.349 -2.585 1.343 1.00 0.00 H
ATOM 79 HA ASN A 5 -4.151 -1.834 1.854 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -2.024 -2.711 3.808 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -3.557 -2.000 4.298 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -5.448 -3.158 3.963 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -5.431 -4.857 3.668 1.00 0.00 H
ATOM 84 N CYS A 6 -2.104 0.207 1.437 1.00 0.00 N
ATOM 85 CA CYS A 6 -1.688 1.586 1.544 1.00 0.00 C
ATOM 86 C CYS A 6 -2.923 2.465 1.652 1.00 0.00 C
ATOM 87 O CYS A 6 -3.862 2.298 0.854 1.00 0.00 O
ATOM 88 CB CYS A 6 -0.854 1.991 0.342 1.00 0.00 C
ATOM 89 SG CYS A 6 0.640 0.976 0.092 1.00 0.00 S
ATOM 90 H CYS A 6 -1.953 -0.271 0.594 1.00 0.00 H
ATOM 91 HA CYS A 6 -1.098 1.674 2.443 1.00 0.00 H
ATOM 92 HB2 CYS A 6 -1.459 1.927 -0.547 1.00 0.00 H
ATOM 93 HB3 CYS A 6 -0.534 3.015 0.473 1.00 0.00 H
ATOM 94 N PRO A 7 -2.970 3.352 2.672 1.00 0.00 N
ATOM 95 CA PRO A 7 -4.112 4.228 2.934 1.00 0.00 C
ATOM 96 C PRO A 7 -4.576 5.011 1.719 1.00 0.00 C
ATOM 97 O PRO A 7 -3.936 5.966 1.284 1.00 0.00 O
ATOM 98 CB PRO A 7 -3.607 5.172 4.018 1.00 0.00 C
ATOM 99 CG PRO A 7 -2.568 4.387 4.727 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.907 3.548 3.681 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.952 3.667 3.317 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.197 6.059 3.558 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -4.418 5.443 4.677 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -1.850 5.050 5.185 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.029 3.758 5.473 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -1.062 4.072 3.259 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.602 2.607 4.112 1.00 0.00 H
ATOM 108 N LEU A 8 -5.669 4.571 1.153 1.00 0.00 N
ATOM 109 CA LEU A 8 -6.279 5.241 0.024 1.00 0.00 C
ATOM 110 C LEU A 8 -7.481 6.006 0.528 1.00 0.00 C
ATOM 111 O LEU A 8 -8.185 6.698 -0.199 1.00 0.00 O
ATOM 112 CB LEU A 8 -6.673 4.216 -1.030 1.00 0.00 C
ATOM 113 CG LEU A 8 -7.150 4.761 -2.378 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -6.051 5.567 -3.051 1.00 0.00 C
ATOM 115 CD2 LEU A 8 -7.603 3.625 -3.273 1.00 0.00 C
ATOM 116 H LEU A 8 -6.066 3.734 1.483 1.00 0.00 H
ATOM 117 HA LEU A 8 -5.561 5.937 -0.370 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -5.813 3.584 -1.184 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -7.460 3.605 -0.615 1.00 0.00 H
ATOM 120 HG LEU A 8 -7.991 5.421 -2.213 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -5.796 6.419 -2.436 1.00 0.00 H
ATOM 122 HD12 LEU A 8 -6.388 5.911 -4.018 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -5.178 4.944 -3.174 1.00 0.00 H
ATOM 124 HD21 LEU A 8 -6.775 2.955 -3.449 1.00 0.00 H
ATOM 125 HD22 LEU A 8 -7.953 4.020 -4.214 1.00 0.00 H
ATOM 126 HD23 LEU A 8 -8.401 3.083 -2.789 1.00 0.00 H
ATOM 127 N GLY A 9 -7.664 5.874 1.778 1.00 0.00 N
ATOM 128 CA GLY A 9 -8.724 6.494 2.484 1.00 0.00 C
ATOM 129 C GLY A 9 -8.585 6.197 3.937 1.00 0.00 C
ATOM 130 O GLY A 9 -7.903 6.956 4.644 1.00 0.00 O
ATOM 131 OXT GLY A 9 -9.118 5.177 4.401 1.00 0.00 O
ATOM 132 H GLY A 9 -7.002 5.313 2.230 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -8.683 7.561 2.322 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -9.669 6.106 2.134 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
MODEL 20
ATOM 1 N CYS A 1 3.696 2.142 -1.207 1.00 0.00 N
ATOM 2 CA CYS A 1 4.132 1.315 -0.091 1.00 0.00 C
ATOM 3 C CYS A 1 4.416 -0.080 -0.626 1.00 0.00 C
ATOM 4 O CYS A 1 4.192 -0.338 -1.821 1.00 0.00 O
ATOM 5 CB CYS A 1 3.047 1.261 0.980 1.00 0.00 C
ATOM 6 SG CYS A 1 2.508 2.889 1.621 1.00 0.00 S
ATOM 7 H1 CYS A 1 3.480 3.119 -0.931 1.00 0.00 H
ATOM 8 H2 CYS A 1 2.857 1.723 -1.655 1.00 0.00 H
ATOM 9 H3 CYS A 1 4.452 2.156 -1.919 1.00 0.00 H
ATOM 10 HA CYS A 1 5.040 1.737 0.316 1.00 0.00 H
ATOM 11 HB2 CYS A 1 2.176 0.759 0.588 1.00 0.00 H
ATOM 12 HB3 CYS A 1 3.424 0.696 1.819 1.00 0.00 H
ATOM 13 N TYR A 2 4.910 -0.989 0.217 1.00 0.00 N
ATOM 14 CA TYR A 2 5.206 -2.333 -0.245 1.00 0.00 C
ATOM 15 C TYR A 2 3.944 -3.111 -0.483 1.00 0.00 C
ATOM 16 O TYR A 2 3.800 -3.828 -1.475 1.00 0.00 O
ATOM 17 CB TYR A 2 6.188 -3.083 0.669 1.00 0.00 C
ATOM 18 CG TYR A 2 6.521 -4.473 0.159 1.00 0.00 C
ATOM 19 CD1 TYR A 2 7.279 -4.645 -0.992 1.00 0.00 C
ATOM 20 CD2 TYR A 2 6.049 -5.608 0.805 1.00 0.00 C
ATOM 21 CE1 TYR A 2 7.562 -5.902 -1.480 1.00 0.00 C
ATOM 22 CE2 TYR A 2 6.324 -6.870 0.318 1.00 0.00 C
ATOM 23 CZ TYR A 2 7.082 -7.009 -0.824 1.00 0.00 C
ATOM 24 OH TYR A 2 7.348 -8.261 -1.315 1.00 0.00 O
ATOM 25 H TYR A 2 5.089 -0.745 1.152 1.00 0.00 H
ATOM 26 HA TYR A 2 5.641 -2.213 -1.212 1.00 0.00 H
ATOM 27 HB2 TYR A 2 7.108 -2.521 0.739 1.00 0.00 H
ATOM 28 HB3 TYR A 2 5.753 -3.181 1.652 1.00 0.00 H
ATOM 29 HD1 TYR A 2 7.660 -3.776 -1.508 1.00 0.00 H
ATOM 30 HD2 TYR A 2 5.459 -5.499 1.703 1.00 0.00 H
ATOM 31 HE1 TYR A 2 8.157 -6.008 -2.377 1.00 0.00 H
ATOM 32 HE2 TYR A 2 5.947 -7.740 0.836 1.00 0.00 H
ATOM 33 HH TYR A 2 8.296 -8.329 -1.497 1.00 0.00 H
ATOM 34 N ILE A 3 3.045 -2.928 0.377 1.00 0.00 N
ATOM 35 CA ILE A 3 1.794 -3.543 0.308 1.00 0.00 C
ATOM 36 C ILE A 3 0.756 -2.493 0.031 1.00 0.00 C
ATOM 37 O ILE A 3 0.858 -1.363 0.505 1.00 0.00 O
ATOM 38 CB ILE A 3 1.448 -4.350 1.585 1.00 0.00 C
ATOM 39 CG1 ILE A 3 1.525 -3.488 2.856 1.00 0.00 C
ATOM 40 CG2 ILE A 3 2.351 -5.573 1.702 1.00 0.00 C
ATOM 41 CD1 ILE A 3 1.130 -4.224 4.126 1.00 0.00 C
ATOM 42 H ILE A 3 3.237 -2.293 1.088 1.00 0.00 H
ATOM 43 HA ILE A 3 1.822 -4.220 -0.534 1.00 0.00 H
ATOM 44 HB ILE A 3 0.434 -4.689 1.452 1.00 0.00 H
ATOM 45 HG12 ILE A 3 2.545 -3.158 2.983 1.00 0.00 H
ATOM 46 HG13 ILE A 3 0.879 -2.629 2.747 1.00 0.00 H
ATOM 47 HG21 ILE A 3 3.379 -5.247 1.767 1.00 0.00 H
ATOM 48 HG22 ILE A 3 2.228 -6.200 0.831 1.00 0.00 H
ATOM 49 HG23 ILE A 3 2.093 -6.129 2.591 1.00 0.00 H
ATOM 50 HD11 ILE A 3 1.767 -5.088 4.246 1.00 0.00 H
ATOM 51 HD12 ILE A 3 0.102 -4.546 4.052 1.00 0.00 H
ATOM 52 HD13 ILE A 3 1.250 -3.571 4.977 1.00 0.00 H
ATOM 53 N GLN A 4 -0.223 -2.866 -0.722 1.00 0.00 N
ATOM 54 CA GLN A 4 -1.296 -1.960 -1.146 1.00 0.00 C
ATOM 55 C GLN A 4 -2.375 -1.825 -0.080 1.00 0.00 C
ATOM 56 O GLN A 4 -3.394 -1.174 -0.278 1.00 0.00 O
ATOM 57 CB GLN A 4 -1.885 -2.390 -2.497 1.00 0.00 C
ATOM 58 CG GLN A 4 -2.379 -3.824 -2.541 1.00 0.00 C
ATOM 59 CD GLN A 4 -2.938 -4.204 -3.887 1.00 0.00 C
ATOM 60 OE1 GLN A 4 -2.212 -4.664 -4.768 1.00 0.00 O
ATOM 61 NE2 GLN A 4 -4.219 -4.041 -4.052 1.00 0.00 N
ATOM 62 H GLN A 4 -0.205 -3.807 -0.995 1.00 0.00 H
ATOM 63 HA GLN A 4 -0.841 -0.989 -1.259 1.00 0.00 H
ATOM 64 HB2 GLN A 4 -2.719 -1.744 -2.733 1.00 0.00 H
ATOM 65 HB3 GLN A 4 -1.128 -2.271 -3.259 1.00 0.00 H
ATOM 66 HG2 GLN A 4 -1.548 -4.478 -2.330 1.00 0.00 H
ATOM 67 HG3 GLN A 4 -3.147 -3.955 -1.792 1.00 0.00 H
ATOM 68 HE21 GLN A 4 -4.749 -3.688 -3.307 1.00 0.00 H
ATOM 69 HE22 GLN A 4 -4.637 -4.273 -4.909 1.00 0.00 H
ATOM 70 N ASN A 5 -2.110 -2.404 1.059 1.00 0.00 N
ATOM 71 CA ASN A 5 -3.003 -2.323 2.205 1.00 0.00 C
ATOM 72 C ASN A 5 -2.423 -1.249 3.141 1.00 0.00 C
ATOM 73 O ASN A 5 -2.681 -1.206 4.341 1.00 0.00 O
ATOM 74 CB ASN A 5 -3.056 -3.695 2.911 1.00 0.00 C
ATOM 75 CG ASN A 5 -4.275 -3.885 3.821 1.00 0.00 C
ATOM 76 OD1 ASN A 5 -4.840 -2.939 4.360 1.00 0.00 O
ATOM 77 ND2 ASN A 5 -4.674 -5.118 3.999 1.00 0.00 N
ATOM 78 H ASN A 5 -1.268 -2.897 1.125 1.00 0.00 H
ATOM 79 HA ASN A 5 -3.986 -2.030 1.866 1.00 0.00 H
ATOM 80 HB2 ASN A 5 -3.076 -4.473 2.162 1.00 0.00 H
ATOM 81 HB3 ASN A 5 -2.163 -3.810 3.508 1.00 0.00 H
ATOM 82 HD21 ASN A 5 -4.188 -5.845 3.556 1.00 0.00 H
ATOM 83 HD22 ASN A 5 -5.453 -5.285 4.571 1.00 0.00 H
ATOM 84 N CYS A 6 -1.620 -0.392 2.561 1.00 0.00 N
ATOM 85 CA CYS A 6 -0.976 0.697 3.250 1.00 0.00 C
ATOM 86 C CYS A 6 -1.915 1.903 3.234 1.00 0.00 C
ATOM 87 O CYS A 6 -2.365 2.321 2.161 1.00 0.00 O
ATOM 88 CB CYS A 6 0.336 1.014 2.530 1.00 0.00 C
ATOM 89 SG CYS A 6 1.310 2.399 3.192 1.00 0.00 S
ATOM 90 H CYS A 6 -1.468 -0.485 1.597 1.00 0.00 H
ATOM 91 HA CYS A 6 -0.765 0.393 4.263 1.00 0.00 H
ATOM 92 HB2 CYS A 6 0.970 0.141 2.576 1.00 0.00 H
ATOM 93 HB3 CYS A 6 0.125 1.225 1.495 1.00 0.00 H
ATOM 94 N PRO A 7 -2.283 2.441 4.407 1.00 0.00 N
ATOM 95 CA PRO A 7 -3.201 3.569 4.488 1.00 0.00 C
ATOM 96 C PRO A 7 -2.604 4.850 3.919 1.00 0.00 C
ATOM 97 O PRO A 7 -1.750 5.479 4.538 1.00 0.00 O
ATOM 98 CB PRO A 7 -3.479 3.745 5.985 1.00 0.00 C
ATOM 99 CG PRO A 7 -2.892 2.553 6.658 1.00 0.00 C
ATOM 100 CD PRO A 7 -1.844 1.997 5.740 1.00 0.00 C
ATOM 101 HA PRO A 7 -4.123 3.346 3.973 1.00 0.00 H
ATOM 102 HB2 PRO A 7 -3.006 4.655 6.323 1.00 0.00 H
ATOM 103 HB3 PRO A 7 -4.545 3.808 6.151 1.00 0.00 H
ATOM 104 HG2 PRO A 7 -2.440 2.856 7.591 1.00 0.00 H
ATOM 105 HG3 PRO A 7 -3.664 1.820 6.841 1.00 0.00 H
ATOM 106 HD2 PRO A 7 -0.872 2.398 5.982 1.00 0.00 H
ATOM 107 HD3 PRO A 7 -1.843 0.920 5.809 1.00 0.00 H
ATOM 108 N LEU A 8 -2.997 5.191 2.720 1.00 0.00 N
ATOM 109 CA LEU A 8 -2.549 6.431 2.101 1.00 0.00 C
ATOM 110 C LEU A 8 -3.684 7.420 2.061 1.00 0.00 C
ATOM 111 O LEU A 8 -3.563 8.548 1.580 1.00 0.00 O
ATOM 112 CB LEU A 8 -2.002 6.189 0.706 1.00 0.00 C
ATOM 113 CG LEU A 8 -0.736 5.331 0.604 1.00 0.00 C
ATOM 114 CD1 LEU A 8 -0.346 5.130 -0.849 1.00 0.00 C
ATOM 115 CD2 LEU A 8 0.412 5.968 1.376 1.00 0.00 C
ATOM 116 H LEU A 8 -3.577 4.582 2.210 1.00 0.00 H
ATOM 117 HA LEU A 8 -1.781 6.840 2.732 1.00 0.00 H
ATOM 118 HB2 LEU A 8 -2.781 5.719 0.125 1.00 0.00 H
ATOM 119 HB3 LEU A 8 -1.810 7.164 0.291 1.00 0.00 H
ATOM 120 HG LEU A 8 -0.935 4.360 1.031 1.00 0.00 H
ATOM 121 HD11 LEU A 8 -1.148 4.630 -1.372 1.00 0.00 H
ATOM 122 HD12 LEU A 8 0.548 4.526 -0.900 1.00 0.00 H
ATOM 123 HD13 LEU A 8 -0.161 6.090 -1.305 1.00 0.00 H
ATOM 124 HD21 LEU A 8 0.162 6.030 2.424 1.00 0.00 H
ATOM 125 HD22 LEU A 8 0.601 6.957 0.988 1.00 0.00 H
ATOM 126 HD23 LEU A 8 1.299 5.362 1.256 1.00 0.00 H
ATOM 127 N GLY A 9 -4.755 6.986 2.578 1.00 0.00 N
ATOM 128 CA GLY A 9 -5.950 7.759 2.668 1.00 0.00 C
ATOM 129 C GLY A 9 -7.117 6.961 2.191 1.00 0.00 C
ATOM 130 O GLY A 9 -7.502 7.073 1.024 1.00 0.00 O
ATOM 131 OXT GLY A 9 -7.622 6.127 2.955 1.00 0.00 O
ATOM 132 H GLY A 9 -4.696 6.066 2.902 1.00 0.00 H
ATOM 133 HA2 GLY A 9 -6.108 8.050 3.696 1.00 0.00 H
ATOM 134 HA3 GLY A 9 -5.853 8.641 2.053 1.00 0.00 H
TER 135 GLY A 9
ENDMDL
CONECT 6 89
CONECT 89 6
MASTER 97 0 0 0 0 0 0 6 69 1 2 1
END
Create input file for QCLObot-modeler
You save the following text as 2MGO_modeling.yaml.
tasks:
- name: 2MGO
protonate:
src: 2mgo.pdb
- name: 2MGO_opt
opt:
reference: 2MGO
- name: 2MGO_optx
neutralize:
reference: 2MGO_opt
dest: 2MGO_optx.pdb
- name: 2MGO_optx_mdwatx
md:
reference: 2MGO_optx
solvation:
method: cap
model: TIP3PBOX
belly_mask:
- water
- ions
- name: 2MGO_optx_mdwatx_optwatx
opt:
reference: 2MGO_optx_mdwatx
belly_mask:
- water
- ions
dest: 2MGO_optx_mdwatx.pdb
Run QCLObot-modeler
$ ${PDF_HOME}/bin/QCLObot-modeler.py 2MGO_modeling.yaml