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2f3a.pdb
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2f3a.pdb
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HEADER ANTIMICROBIAL PROTEIN 19-NOV-05 2F3A
TITLE SOLUTION STRUCTURE OF THE LL-37-DERIVED AUREIN 1.2 ANALOG
TITLE 2 (LLAA) IN MEMBRANE-MIMETIC MICELLES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AUREIN 1.2 ANALOG;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: CHEMICAL SYNTHESIS WITH C-TERMINAL AMIDATION
KEYWDS ANTIMICROBIAL PEPTIDES; AUREIN 1.2; LL-37; LLAA,
KEYWDS 2 ANTIMICROBIAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 5
AUTHOR G.WANG,X.LI,A.PETERKOFSKY
REVDAT 2 17-FEB-09 2F3A 1 AUTHOR VERSN
REVDAT 1 17-OCT-06 2F3A 0
JRNL AUTH X.LI,Y.LI,A.PETERKOFSKY,G.WANG
JRNL TITL NMR STUDIES OF AUREIN 1.2 ANALOGS
JRNL REF BIOCHIM.BIOPHYS.ACTA V.1758 1203 2006
JRNL REFN ISSN 0006-3002
JRNL PMID 16716252
JRNL DOI 10.1016/J.BBAMEM.2006.03.032
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : TALOS 1999.019.15.47
REMARK 3 AUTHORS : G. CORNILESCU, F. DELAGLIO, A. BAX
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2F3A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-DEC-05.
REMARK 100 THE RCSB ID CODE IS RCSB035399.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 4.4
REMARK 210 IONIC STRENGTH : 80
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 2 MM PEPTIDE, 80 MM SODIUM
REMARK 210 DODECYLSULFATE, 10%D2O, 90%H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, DQF-COSY,
REMARK 210 (1H,13C) HSQC, (1H,15N) HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR-NIH 1.0, NMRPIPE 2.1,
REMARK 210 PIPP 1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 5
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 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 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 LEU A 2 -17.40 -46.07
REMARK 500 2 LEU A 2 -19.45 -48.82
REMARK 500 4 LEU A 2 -17.69 -47.54
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 14
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VM5 RELATED DB: PDB
REMARK 900 STRUCTURE OF AUREIN 1.2 IN SDS MICELLES
SEQRES 1 A 14 ARG LEU PHE ASP LYS ILE ARG GLN VAL ILE ARG LYS PHE
SEQRES 2 A 14 NH2
HET NH2 A 14 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
HELIX 1 1 PHE A 3 PHE A 13 1 11
LINK C PHE A 13 N NH2 A 14 1555 1555 1.31
SITE 1 AC1 2 ILE A 10 PHE A 13
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 N ARG A 1 8.933 -1.964 0.329 1.00 0.00 N
ATOM 2 CA ARG A 1 9.546 -0.641 0.020 1.00 0.00 C
ATOM 3 C ARG A 1 8.468 0.437 0.077 1.00 0.00 C
ATOM 4 O ARG A 1 7.355 0.192 0.542 1.00 0.00 O
ATOM 5 CB ARG A 1 10.172 -0.676 -1.381 1.00 0.00 C
ATOM 6 CG ARG A 1 10.708 -2.078 -1.682 1.00 0.00 C
ATOM 7 CD ARG A 1 11.791 -2.446 -0.666 1.00 0.00 C
ATOM 8 NE ARG A 1 12.351 -3.753 -0.982 1.00 0.00 N
ATOM 9 CZ ARG A 1 13.499 -4.156 -0.450 1.00 0.00 C
ATOM 10 NH1 ARG A 1 14.144 -3.376 0.374 1.00 0.00 N
ATOM 11 NH2 ARG A 1 13.981 -5.330 -0.750 1.00 0.00 N
ATOM 12 H1 ARG A 1 9.622 -2.719 0.144 1.00 0.00 H
ATOM 13 H2 ARG A 1 8.094 -2.105 -0.270 1.00 0.00 H
ATOM 14 H3 ARG A 1 8.653 -1.990 1.330 1.00 0.00 H
ATOM 15 HA ARG A 1 10.311 -0.421 0.750 1.00 0.00 H
ATOM 16 HB2 ARG A 1 9.424 -0.415 -2.117 1.00 0.00 H
ATOM 17 HB3 ARG A 1 10.983 0.035 -1.429 1.00 0.00 H
ATOM 18 HG2 ARG A 1 9.902 -2.793 -1.626 1.00 0.00 H
ATOM 19 HG3 ARG A 1 11.132 -2.093 -2.675 1.00 0.00 H
ATOM 20 HD2 ARG A 1 12.576 -1.704 -0.695 1.00 0.00 H
ATOM 21 HD3 ARG A 1 11.361 -2.471 0.324 1.00 0.00 H
ATOM 22 HE ARG A 1 11.873 -4.346 -1.599 1.00 0.00 H
ATOM 23 HH11 ARG A 1 13.774 -2.477 0.604 1.00 0.00 H
ATOM 24 HH12 ARG A 1 15.009 -3.680 0.775 1.00 0.00 H
ATOM 25 HH21 ARG A 1 13.486 -5.928 -1.380 1.00 0.00 H
ATOM 26 HH22 ARG A 1 14.846 -5.633 -0.349 1.00 0.00 H
ATOM 27 N LEU A 2 8.805 1.628 -0.407 1.00 0.00 N
ATOM 28 CA LEU A 2 7.857 2.734 -0.416 1.00 0.00 C
ATOM 29 C LEU A 2 6.511 2.276 -0.929 1.00 0.00 C
ATOM 30 O LEU A 2 5.498 2.947 -0.735 1.00 0.00 O
ATOM 31 CB LEU A 2 8.412 3.898 -1.254 1.00 0.00 C
ATOM 32 CG LEU A 2 8.306 3.639 -2.753 1.00 0.00 C
ATOM 33 CD1 LEU A 2 8.931 2.283 -3.091 1.00 0.00 C
ATOM 34 CD2 LEU A 2 6.839 3.692 -3.184 1.00 0.00 C
ATOM 35 H LEU A 2 9.705 1.763 -0.769 1.00 0.00 H
ATOM 36 HA LEU A 2 7.716 3.084 0.586 1.00 0.00 H
ATOM 37 HB2 LEU A 2 7.871 4.795 -1.019 1.00 0.00 H
ATOM 38 HB3 LEU A 2 9.443 4.030 -1.010 1.00 0.00 H
ATOM 39 HG LEU A 2 8.854 4.411 -3.276 1.00 0.00 H
ATOM 40 HD11 LEU A 2 9.179 2.253 -4.139 1.00 0.00 H
ATOM 41 HD12 LEU A 2 8.236 1.497 -2.863 1.00 0.00 H
ATOM 42 HD13 LEU A 2 9.830 2.146 -2.507 1.00 0.00 H
ATOM 43 HD21 LEU A 2 6.274 4.284 -2.476 1.00 0.00 H
ATOM 44 HD22 LEU A 2 6.439 2.699 -3.218 1.00 0.00 H
ATOM 45 HD23 LEU A 2 6.771 4.140 -4.158 1.00 0.00 H
ATOM 46 N PHE A 3 6.505 1.133 -1.594 1.00 0.00 N
ATOM 47 CA PHE A 3 5.280 0.596 -2.145 1.00 0.00 C
ATOM 48 C PHE A 3 4.525 -0.217 -1.104 1.00 0.00 C
ATOM 49 O PHE A 3 3.296 -0.284 -1.134 1.00 0.00 O
ATOM 50 CB PHE A 3 5.602 -0.250 -3.369 1.00 0.00 C
ATOM 51 CG PHE A 3 6.067 0.662 -4.482 1.00 0.00 C
ATOM 52 CD1 PHE A 3 5.187 1.606 -5.027 1.00 0.00 C
ATOM 53 CD2 PHE A 3 7.372 0.557 -4.980 1.00 0.00 C
ATOM 54 CE1 PHE A 3 5.611 2.443 -6.066 1.00 0.00 C
ATOM 55 CE2 PHE A 3 7.793 1.389 -6.025 1.00 0.00 C
ATOM 56 CZ PHE A 3 6.911 2.330 -6.569 1.00 0.00 C
ATOM 57 H PHE A 3 7.345 0.645 -1.720 1.00 0.00 H
ATOM 58 HA PHE A 3 4.657 1.420 -2.452 1.00 0.00 H
ATOM 59 HB2 PHE A 3 6.382 -0.956 -3.125 1.00 0.00 H
ATOM 60 HB3 PHE A 3 4.716 -0.781 -3.685 1.00 0.00 H
ATOM 61 HD1 PHE A 3 4.188 1.708 -4.628 1.00 0.00 H
ATOM 62 HD2 PHE A 3 8.059 -0.156 -4.545 1.00 0.00 H
ATOM 63 HE1 PHE A 3 4.930 3.169 -6.486 1.00 0.00 H
ATOM 64 HE2 PHE A 3 8.799 1.306 -6.408 1.00 0.00 H
ATOM 65 HZ PHE A 3 7.236 2.971 -7.374 1.00 0.00 H
ATOM 66 N ASP A 4 5.254 -0.816 -0.168 1.00 0.00 N
ATOM 67 CA ASP A 4 4.615 -1.589 0.880 1.00 0.00 C
ATOM 68 C ASP A 4 3.465 -0.775 1.456 1.00 0.00 C
ATOM 69 O ASP A 4 2.521 -1.315 2.032 1.00 0.00 O
ATOM 70 CB ASP A 4 5.628 -1.915 1.978 1.00 0.00 C
ATOM 71 CG ASP A 4 6.554 -3.038 1.519 1.00 0.00 C
ATOM 72 OD1 ASP A 4 6.484 -3.398 0.355 1.00 0.00 O
ATOM 73 OD2 ASP A 4 7.320 -3.520 2.338 1.00 0.00 O
ATOM 74 H ASP A 4 6.228 -0.720 -0.173 1.00 0.00 H
ATOM 75 HA ASP A 4 4.230 -2.509 0.464 1.00 0.00 H
ATOM 76 HB2 ASP A 4 6.214 -1.034 2.197 1.00 0.00 H
ATOM 77 HB3 ASP A 4 5.105 -2.227 2.866 1.00 0.00 H
ATOM 78 N LYS A 5 3.561 0.539 1.273 1.00 0.00 N
ATOM 79 CA LYS A 5 2.538 1.458 1.745 1.00 0.00 C
ATOM 80 C LYS A 5 1.450 1.613 0.683 1.00 0.00 C
ATOM 81 O LYS A 5 0.271 1.759 1.003 1.00 0.00 O
ATOM 82 CB LYS A 5 3.176 2.820 2.057 1.00 0.00 C
ATOM 83 CG LYS A 5 2.094 3.906 2.107 1.00 0.00 C
ATOM 84 CD LYS A 5 2.649 5.166 2.784 1.00 0.00 C
ATOM 85 CE LYS A 5 2.464 5.067 4.301 1.00 0.00 C
ATOM 86 NZ LYS A 5 2.935 6.328 4.939 1.00 0.00 N
ATOM 87 H LYS A 5 4.339 0.897 0.794 1.00 0.00 H
ATOM 88 HA LYS A 5 2.096 1.063 2.648 1.00 0.00 H
ATOM 89 HB2 LYS A 5 3.676 2.768 3.014 1.00 0.00 H
ATOM 90 HB3 LYS A 5 3.898 3.066 1.289 1.00 0.00 H
ATOM 91 HG2 LYS A 5 1.783 4.146 1.101 1.00 0.00 H
ATOM 92 HG3 LYS A 5 1.245 3.541 2.667 1.00 0.00 H
ATOM 93 HD2 LYS A 5 3.701 5.266 2.554 1.00 0.00 H
ATOM 94 HD3 LYS A 5 2.119 6.032 2.416 1.00 0.00 H
ATOM 95 HE2 LYS A 5 1.419 4.918 4.528 1.00 0.00 H
ATOM 96 HE3 LYS A 5 3.038 4.236 4.681 1.00 0.00 H
ATOM 97 HZ1 LYS A 5 3.339 6.115 5.874 1.00 0.00 H
ATOM 98 HZ2 LYS A 5 2.133 6.982 5.049 1.00 0.00 H
ATOM 99 HZ3 LYS A 5 3.664 6.769 4.343 1.00 0.00 H
ATOM 100 N ILE A 6 1.860 1.568 -0.584 1.00 0.00 N
ATOM 101 CA ILE A 6 0.917 1.692 -1.692 1.00 0.00 C
ATOM 102 C ILE A 6 0.008 0.467 -1.745 1.00 0.00 C
ATOM 103 O ILE A 6 -1.034 0.490 -2.392 1.00 0.00 O
ATOM 104 CB ILE A 6 1.671 1.860 -3.025 1.00 0.00 C
ATOM 105 CG1 ILE A 6 2.048 3.335 -3.221 1.00 0.00 C
ATOM 106 CG2 ILE A 6 0.778 1.422 -4.191 1.00 0.00 C
ATOM 107 CD1 ILE A 6 2.730 3.874 -1.960 1.00 0.00 C
ATOM 108 H ILE A 6 2.813 1.442 -0.776 1.00 0.00 H
ATOM 109 HA ILE A 6 0.302 2.567 -1.526 1.00 0.00 H
ATOM 110 HB ILE A 6 2.568 1.255 -3.015 1.00 0.00 H
ATOM 111 HG12 ILE A 6 2.723 3.424 -4.060 1.00 0.00 H
ATOM 112 HG13 ILE A 6 1.156 3.911 -3.416 1.00 0.00 H
ATOM 113 HG21 ILE A 6 1.205 1.766 -5.121 1.00 0.00 H
ATOM 114 HG22 ILE A 6 -0.208 1.847 -4.069 1.00 0.00 H
ATOM 115 HG23 ILE A 6 0.706 0.344 -4.206 1.00 0.00 H
ATOM 116 HD11 ILE A 6 3.368 3.111 -1.542 1.00 0.00 H
ATOM 117 HD12 ILE A 6 1.980 4.152 -1.235 1.00 0.00 H
ATOM 118 HD13 ILE A 6 3.323 4.739 -2.215 1.00 0.00 H
ATOM 119 N ARG A 7 0.414 -0.600 -1.064 1.00 0.00 N
ATOM 120 CA ARG A 7 -0.377 -1.829 -1.037 1.00 0.00 C
ATOM 121 C ARG A 7 -1.492 -1.727 0.000 1.00 0.00 C
ATOM 122 O ARG A 7 -2.647 -2.040 -0.284 1.00 0.00 O
ATOM 123 CB ARG A 7 0.525 -3.021 -0.702 1.00 0.00 C
ATOM 124 CG ARG A 7 -0.232 -4.338 -0.956 1.00 0.00 C
ATOM 125 CD ARG A 7 -0.046 -4.799 -2.414 1.00 0.00 C
ATOM 126 NE ARG A 7 0.666 -6.081 -2.478 1.00 0.00 N
ATOM 127 CZ ARG A 7 1.754 -6.336 -1.748 1.00 0.00 C
ATOM 128 NH1 ARG A 7 2.256 -5.422 -0.966 1.00 0.00 N
ATOM 129 NH2 ARG A 7 2.326 -7.505 -1.827 1.00 0.00 N
ATOM 130 H ARG A 7 1.258 -0.561 -0.567 1.00 0.00 H
ATOM 131 HA ARG A 7 -0.822 -1.985 -2.008 1.00 0.00 H
ATOM 132 HB2 ARG A 7 1.413 -2.981 -1.317 1.00 0.00 H
ATOM 133 HB3 ARG A 7 0.810 -2.970 0.338 1.00 0.00 H
ATOM 134 HG2 ARG A 7 0.138 -5.099 -0.285 1.00 0.00 H
ATOM 135 HG3 ARG A 7 -1.284 -4.186 -0.764 1.00 0.00 H
ATOM 136 HD2 ARG A 7 -1.015 -4.934 -2.864 1.00 0.00 H
ATOM 137 HD3 ARG A 7 0.494 -4.042 -2.971 1.00 0.00 H
ATOM 138 HE ARG A 7 0.322 -6.782 -3.072 1.00 0.00 H
ATOM 139 HH11 ARG A 7 1.827 -4.525 -0.907 1.00 0.00 H
ATOM 140 HH12 ARG A 7 3.073 -5.623 -0.423 1.00 0.00 H
ATOM 141 HH21 ARG A 7 1.950 -8.206 -2.433 1.00 0.00 H
ATOM 142 HH22 ARG A 7 3.142 -7.699 -1.283 1.00 0.00 H
ATOM 143 N GLN A 8 -1.136 -1.293 1.204 1.00 0.00 N
ATOM 144 CA GLN A 8 -2.108 -1.161 2.279 1.00 0.00 C
ATOM 145 C GLN A 8 -3.323 -0.362 1.820 1.00 0.00 C
ATOM 146 O GLN A 8 -4.463 -0.793 1.988 1.00 0.00 O
ATOM 147 CB GLN A 8 -1.460 -0.462 3.473 1.00 0.00 C
ATOM 148 CG GLN A 8 -0.490 -1.421 4.165 1.00 0.00 C
ATOM 149 CD GLN A 8 0.190 -0.719 5.335 1.00 0.00 C
ATOM 150 OE1 GLN A 8 1.404 -0.521 5.320 1.00 0.00 O
ATOM 151 NE2 GLN A 8 -0.525 -0.329 6.355 1.00 0.00 N
ATOM 152 H GLN A 8 -0.201 -1.061 1.376 1.00 0.00 H
ATOM 153 HA GLN A 8 -2.431 -2.145 2.584 1.00 0.00 H
ATOM 154 HB2 GLN A 8 -0.922 0.410 3.130 1.00 0.00 H
ATOM 155 HB3 GLN A 8 -2.224 -0.162 4.170 1.00 0.00 H
ATOM 156 HG2 GLN A 8 -1.034 -2.281 4.528 1.00 0.00 H
ATOM 157 HG3 GLN A 8 0.259 -1.744 3.457 1.00 0.00 H
ATOM 158 HE21 GLN A 8 -1.493 -0.487 6.365 1.00 0.00 H
ATOM 159 HE22 GLN A 8 -0.095 0.123 7.111 1.00 0.00 H
ATOM 160 N VAL A 9 -3.070 0.809 1.246 1.00 0.00 N
ATOM 161 CA VAL A 9 -4.152 1.666 0.775 1.00 0.00 C
ATOM 162 C VAL A 9 -5.133 0.879 -0.084 1.00 0.00 C
ATOM 163 O VAL A 9 -6.344 0.976 0.101 1.00 0.00 O
ATOM 164 CB VAL A 9 -3.588 2.827 -0.041 1.00 0.00 C
ATOM 165 CG1 VAL A 9 -2.749 2.281 -1.193 1.00 0.00 C
ATOM 166 CG2 VAL A 9 -4.744 3.657 -0.600 1.00 0.00 C
ATOM 167 H VAL A 9 -2.142 1.105 1.142 1.00 0.00 H
ATOM 168 HA VAL A 9 -4.678 2.066 1.628 1.00 0.00 H
ATOM 169 HB VAL A 9 -2.969 3.444 0.590 1.00 0.00 H
ATOM 170 HG11 VAL A 9 -3.400 1.939 -1.983 1.00 0.00 H
ATOM 171 HG12 VAL A 9 -2.152 1.459 -0.837 1.00 0.00 H
ATOM 172 HG13 VAL A 9 -2.104 3.060 -1.569 1.00 0.00 H
ATOM 173 HG21 VAL A 9 -4.372 4.612 -0.941 1.00 0.00 H
ATOM 174 HG22 VAL A 9 -5.479 3.812 0.174 1.00 0.00 H
ATOM 175 HG23 VAL A 9 -5.200 3.131 -1.428 1.00 0.00 H
ATOM 176 N ILE A 10 -4.608 0.104 -1.027 1.00 0.00 N
ATOM 177 CA ILE A 10 -5.468 -0.688 -1.904 1.00 0.00 C
ATOM 178 C ILE A 10 -6.551 -1.369 -1.085 1.00 0.00 C
ATOM 179 O ILE A 10 -7.694 -1.493 -1.525 1.00 0.00 O
ATOM 180 CB ILE A 10 -4.652 -1.749 -2.649 1.00 0.00 C
ATOM 181 CG1 ILE A 10 -3.523 -1.081 -3.438 1.00 0.00 C
ATOM 182 CG2 ILE A 10 -5.559 -2.522 -3.608 1.00 0.00 C
ATOM 183 CD1 ILE A 10 -4.092 -0.034 -4.402 1.00 0.00 C
ATOM 184 H ILE A 10 -3.633 0.066 -1.136 1.00 0.00 H
ATOM 185 HA ILE A 10 -5.938 -0.030 -2.617 1.00 0.00 H
ATOM 186 HB ILE A 10 -4.229 -2.438 -1.933 1.00 0.00 H
ATOM 187 HG12 ILE A 10 -2.848 -0.602 -2.750 1.00 0.00 H
ATOM 188 HG13 ILE A 10 -2.988 -1.831 -4.002 1.00 0.00 H
ATOM 189 HG21 ILE A 10 -4.971 -3.246 -4.153 1.00 0.00 H
ATOM 190 HG22 ILE A 10 -6.016 -1.834 -4.304 1.00 0.00 H
ATOM 191 HG23 ILE A 10 -6.327 -3.031 -3.047 1.00 0.00 H
ATOM 192 HD11 ILE A 10 -3.396 0.120 -5.213 1.00 0.00 H
ATOM 193 HD12 ILE A 10 -4.240 0.897 -3.875 1.00 0.00 H
ATOM 194 HD13 ILE A 10 -5.035 -0.377 -4.798 1.00 0.00 H
ATOM 195 N ARG A 11 -6.188 -1.792 0.118 1.00 0.00 N
ATOM 196 CA ARG A 11 -7.152 -2.437 0.996 1.00 0.00 C
ATOM 197 C ARG A 11 -8.338 -1.508 1.157 1.00 0.00 C
ATOM 198 O ARG A 11 -9.490 -1.941 1.214 1.00 0.00 O
ATOM 199 CB ARG A 11 -6.528 -2.730 2.362 1.00 0.00 C
ATOM 200 CG ARG A 11 -7.418 -3.711 3.131 1.00 0.00 C
ATOM 201 CD ARG A 11 -7.116 -3.619 4.629 1.00 0.00 C
ATOM 202 NE ARG A 11 -7.885 -4.618 5.361 1.00 0.00 N
ATOM 203 CZ ARG A 11 -7.579 -4.941 6.614 1.00 0.00 C
ATOM 204 NH1 ARG A 11 -6.581 -4.354 7.214 1.00 0.00 N
ATOM 205 NH2 ARG A 11 -8.279 -5.844 7.244 1.00 0.00 N
ATOM 206 H ARG A 11 -5.271 -1.648 0.421 1.00 0.00 H
ATOM 207 HA ARG A 11 -7.482 -3.361 0.544 1.00 0.00 H
ATOM 208 HB2 ARG A 11 -5.548 -3.165 2.224 1.00 0.00 H
ATOM 209 HB3 ARG A 11 -6.438 -1.811 2.922 1.00 0.00 H
ATOM 210 HG2 ARG A 11 -8.457 -3.466 2.958 1.00 0.00 H
ATOM 211 HG3 ARG A 11 -7.225 -4.717 2.789 1.00 0.00 H
ATOM 212 HD2 ARG A 11 -6.063 -3.789 4.792 1.00 0.00 H
ATOM 213 HD3 ARG A 11 -7.377 -2.634 4.985 1.00 0.00 H
ATOM 214 HE ARG A 11 -8.640 -5.062 4.921 1.00 0.00 H
ATOM 215 HH11 ARG A 11 -6.045 -3.660 6.732 1.00 0.00 H
ATOM 216 HH12 ARG A 11 -6.350 -4.597 8.157 1.00 0.00 H
ATOM 217 HH21 ARG A 11 -9.046 -6.293 6.785 1.00 0.00 H
ATOM 218 HH22 ARG A 11 -8.048 -6.087 8.186 1.00 0.00 H
ATOM 219 N LYS A 12 -8.036 -0.217 1.190 1.00 0.00 N
ATOM 220 CA LYS A 12 -9.061 0.802 1.298 1.00 0.00 C
ATOM 221 C LYS A 12 -9.602 1.086 -0.098 1.00 0.00 C
ATOM 222 O LYS A 12 -10.773 1.426 -0.266 1.00 0.00 O
ATOM 223 CB LYS A 12 -8.467 2.079 1.913 1.00 0.00 C
ATOM 224 CG LYS A 12 -9.571 2.921 2.581 1.00 0.00 C
ATOM 225 CD LYS A 12 -10.059 4.002 1.612 1.00 0.00 C
ATOM 226 CE LYS A 12 -11.230 4.762 2.237 1.00 0.00 C
ATOM 227 NZ LYS A 12 -12.244 3.792 2.738 1.00 0.00 N
ATOM 228 H LYS A 12 -7.098 0.056 1.112 1.00 0.00 H
ATOM 229 HA LYS A 12 -9.861 0.435 1.924 1.00 0.00 H
ATOM 230 HB2 LYS A 12 -7.730 1.804 2.653 1.00 0.00 H
ATOM 231 HB3 LYS A 12 -7.991 2.660 1.140 1.00 0.00 H
ATOM 232 HG2 LYS A 12 -10.400 2.287 2.859 1.00 0.00 H
ATOM 233 HG3 LYS A 12 -9.172 3.394 3.466 1.00 0.00 H
ATOM 234 HD2 LYS A 12 -9.253 4.691 1.407 1.00 0.00 H
ATOM 235 HD3 LYS A 12 -10.383 3.540 0.691 1.00 0.00 H
ATOM 236 HE2 LYS A 12 -10.870 5.363 3.058 1.00 0.00 H
ATOM 237 HE3 LYS A 12 -11.681 5.402 1.493 1.00 0.00 H
ATOM 238 HZ1 LYS A 12 -13.068 4.309 3.103 1.00 0.00 H
ATOM 239 HZ2 LYS A 12 -11.827 3.218 3.500 1.00 0.00 H
ATOM 240 HZ3 LYS A 12 -12.544 3.171 1.960 1.00 0.00 H
ATOM 241 N PHE A 13 -8.735 0.915 -1.101 1.00 0.00 N
ATOM 242 CA PHE A 13 -9.128 1.127 -2.487 1.00 0.00 C
ATOM 243 C PHE A 13 -8.011 0.733 -3.446 1.00 0.00 C
ATOM 244 O PHE A 13 -7.106 1.519 -3.713 1.00 0.00 O
ATOM 245 CB PHE A 13 -9.548 2.580 -2.710 1.00 0.00 C
ATOM 246 CG PHE A 13 -8.368 3.533 -2.718 1.00 0.00 C
ATOM 247 CD1 PHE A 13 -7.680 3.802 -3.909 1.00 0.00 C
ATOM 248 CD2 PHE A 13 -7.990 4.181 -1.537 1.00 0.00 C
ATOM 249 CE1 PHE A 13 -6.615 4.710 -3.913 1.00 0.00 C
ATOM 250 CE2 PHE A 13 -6.925 5.086 -1.542 1.00 0.00 C
ATOM 251 CZ PHE A 13 -6.237 5.353 -2.730 1.00 0.00 C
ATOM 252 H PHE A 13 -7.819 0.623 -0.905 1.00 0.00 H
ATOM 253 HA PHE A 13 -9.981 0.496 -2.691 1.00 0.00 H
ATOM 254 HB2 PHE A 13 -10.056 2.648 -3.650 1.00 0.00 H
ATOM 255 HB3 PHE A 13 -10.219 2.863 -1.925 1.00 0.00 H
ATOM 256 HD1 PHE A 13 -7.965 3.306 -4.823 1.00 0.00 H
ATOM 257 HD2 PHE A 13 -8.516 3.977 -0.619 1.00 0.00 H
ATOM 258 HE1 PHE A 13 -6.085 4.915 -4.831 1.00 0.00 H
ATOM 259 HE2 PHE A 13 -6.636 5.584 -0.627 1.00 0.00 H
ATOM 260 HZ PHE A 13 -5.416 6.054 -2.735 1.00 0.00 H
HETATM 261 N NH2 A 14 -8.022 -0.456 -3.983 1.00 0.00 N
HETATM 262 HN1 NH2 A 14 -8.744 -1.084 -3.768 1.00 0.00 H
HETATM 263 HN2 NH2 A 14 -7.311 -0.719 -4.602 1.00 0.00 H
TER 264 NH2 A 14
ENDMDL
MODEL 2
ATOM 1 N ARG A 1 8.662 -2.064 0.773 1.00 0.00 N
ATOM 2 CA ARG A 1 9.384 -0.784 0.529 1.00 0.00 C
ATOM 3 C ARG A 1 8.369 0.353 0.428 1.00 0.00 C
ATOM 4 O ARG A 1 7.233 0.223 0.880 1.00 0.00 O
ATOM 5 CB ARG A 1 10.190 -0.899 -0.773 1.00 0.00 C
ATOM 6 CG ARG A 1 11.529 -0.166 -0.622 1.00 0.00 C
ATOM 7 CD ARG A 1 12.319 -0.251 -1.934 1.00 0.00 C
ATOM 8 NE ARG A 1 13.730 -0.535 -1.672 1.00 0.00 N
ATOM 9 CZ ARG A 1 14.403 0.067 -0.694 1.00 0.00 C
ATOM 10 NH1 ARG A 1 13.836 0.998 0.022 1.00 0.00 N
ATOM 11 NH2 ARG A 1 15.646 -0.260 -0.464 1.00 0.00 N
ATOM 12 H1 ARG A 1 7.706 -2.007 0.370 1.00 0.00 H
ATOM 13 H2 ARG A 1 8.599 -2.236 1.797 1.00 0.00 H
ATOM 14 H3 ARG A 1 9.178 -2.846 0.321 1.00 0.00 H
ATOM 15 HA ARG A 1 10.054 -0.592 1.355 1.00 0.00 H
ATOM 16 HB2 ARG A 1 10.375 -1.942 -0.987 1.00 0.00 H
ATOM 17 HB3 ARG A 1 9.632 -0.460 -1.587 1.00 0.00 H
ATOM 18 HG2 ARG A 1 11.342 0.869 -0.377 1.00 0.00 H
ATOM 19 HG3 ARG A 1 12.099 -0.626 0.171 1.00 0.00 H
ATOM 20 HD2 ARG A 1 11.920 -1.048 -2.542 1.00 0.00 H
ATOM 21 HD3 ARG A 1 12.221 0.685 -2.472 1.00 0.00 H
ATOM 22 HE ARG A 1 14.190 -1.206 -2.222 1.00 0.00 H
ATOM 23 HH11 ARG A 1 12.893 1.266 -0.162 1.00 0.00 H
ATOM 24 HH12 ARG A 1 14.348 1.445 0.757 1.00 0.00 H
ATOM 25 HH21 ARG A 1 16.089 -0.961 -1.023 1.00 0.00 H
ATOM 26 HH22 ARG A 1 16.155 0.190 0.269 1.00 0.00 H
ATOM 27 N LEU A 2 8.786 1.467 -0.166 1.00 0.00 N
ATOM 28 CA LEU A 2 7.901 2.615 -0.315 1.00 0.00 C
ATOM 29 C LEU A 2 6.562 2.193 -0.881 1.00 0.00 C
ATOM 30 O LEU A 2 5.573 2.915 -0.763 1.00 0.00 O
ATOM 31 CB LEU A 2 8.572 3.689 -1.189 1.00 0.00 C
ATOM 32 CG LEU A 2 8.489 3.373 -2.680 1.00 0.00 C
ATOM 33 CD1 LEU A 2 9.017 1.960 -2.942 1.00 0.00 C
ATOM 34 CD2 LEU A 2 7.044 3.522 -3.160 1.00 0.00 C
ATOM 35 H LEU A 2 9.702 1.517 -0.507 1.00 0.00 H
ATOM 36 HA LEU A 2 7.719 3.041 0.651 1.00 0.00 H
ATOM 37 HB2 LEU A 2 8.100 4.637 -1.011 1.00 0.00 H
ATOM 38 HB3 LEU A 2 9.604 3.751 -0.917 1.00 0.00 H
ATOM 39 HG LEU A 2 9.111 4.077 -3.215 1.00 0.00 H
ATOM 40 HD11 LEU A 2 9.856 1.762 -2.291 1.00 0.00 H
ATOM 41 HD12 LEU A 2 9.337 1.882 -3.969 1.00 0.00 H
ATOM 42 HD13 LEU A 2 8.242 1.243 -2.752 1.00 0.00 H
ATOM 43 HD21 LEU A 2 6.502 4.176 -2.490 1.00 0.00 H
ATOM 44 HD22 LEU A 2 6.570 2.561 -3.179 1.00 0.00 H
ATOM 45 HD23 LEU A 2 7.040 3.943 -4.150 1.00 0.00 H
ATOM 46 N PHE A 3 6.534 1.026 -1.502 1.00 0.00 N
ATOM 47 CA PHE A 3 5.309 0.525 -2.092 1.00 0.00 C
ATOM 48 C PHE A 3 4.477 -0.230 -1.067 1.00 0.00 C
ATOM 49 O PHE A 3 3.249 -0.252 -1.152 1.00 0.00 O
ATOM 50 CB PHE A 3 5.640 -0.363 -3.285 1.00 0.00 C
ATOM 51 CG PHE A 3 6.153 0.507 -4.411 1.00 0.00 C
ATOM 52 CD1 PHE A 3 5.314 1.470 -4.991 1.00 0.00 C
ATOM 53 CD2 PHE A 3 7.460 0.344 -4.885 1.00 0.00 C
ATOM 54 CE1 PHE A 3 5.785 2.267 -6.040 1.00 0.00 C
ATOM 55 CE2 PHE A 3 7.927 1.138 -5.940 1.00 0.00 C
ATOM 56 CZ PHE A 3 7.088 2.099 -6.518 1.00 0.00 C
ATOM 57 H PHE A 3 7.354 0.493 -1.568 1.00 0.00 H
ATOM 58 HA PHE A 3 4.733 1.365 -2.442 1.00 0.00 H
ATOM 59 HB2 PHE A 3 6.398 -1.080 -3.003 1.00 0.00 H
ATOM 60 HB3 PHE A 3 4.752 -0.882 -3.608 1.00 0.00 H
ATOM 61 HD1 PHE A 3 4.314 1.615 -4.611 1.00 0.00 H
ATOM 62 HD2 PHE A 3 8.115 -0.382 -4.425 1.00 0.00 H
ATOM 63 HE1 PHE A 3 5.138 3.009 -6.487 1.00 0.00 H
ATOM 64 HE2 PHE A 3 8.935 1.012 -6.306 1.00 0.00 H
ATOM 65 HZ PHE A 3 7.450 2.711 -7.332 1.00 0.00 H
ATOM 66 N ASP A 4 5.138 -0.832 -0.083 1.00 0.00 N
ATOM 67 CA ASP A 4 4.419 -1.552 0.952 1.00 0.00 C
ATOM 68 C ASP A 4 3.293 -0.668 1.469 1.00 0.00 C
ATOM 69 O ASP A 4 2.307 -1.147 2.029 1.00 0.00 O
ATOM 70 CB ASP A 4 5.366 -1.915 2.095 1.00 0.00 C
ATOM 71 CG ASP A 4 6.277 -3.063 1.674 1.00 0.00 C
ATOM 72 OD1 ASP A 4 6.398 -3.292 0.482 1.00 0.00 O
ATOM 73 OD2 ASP A 4 6.841 -3.698 2.551 1.00 0.00 O
ATOM 74 H ASP A 4 6.115 -0.776 -0.044 1.00 0.00 H
ATOM 75 HA ASP A 4 4.001 -2.456 0.534 1.00 0.00 H
ATOM 76 HB2 ASP A 4 5.967 -1.055 2.348 1.00 0.00 H
ATOM 77 HB3 ASP A 4 4.790 -2.213 2.952 1.00 0.00 H
ATOM 78 N LYS A 5 3.458 0.635 1.255 1.00 0.00 N
ATOM 79 CA LYS A 5 2.467 1.614 1.673 1.00 0.00 C
ATOM 80 C LYS A 5 1.419 1.794 0.576 1.00 0.00 C
ATOM 81 O LYS A 5 0.253 2.075 0.856 1.00 0.00 O
ATOM 82 CB LYS A 5 3.157 2.952 1.972 1.00 0.00 C
ATOM 83 CG LYS A 5 2.117 4.079 2.016 1.00 0.00 C
ATOM 84 CD LYS A 5 2.668 5.270 2.815 1.00 0.00 C
ATOM 85 CE LYS A 5 2.237 5.156 4.280 1.00 0.00 C
ATOM 86 NZ LYS A 5 2.397 3.748 4.742 1.00 0.00 N
ATOM 87 H LYS A 5 4.266 0.942 0.794 1.00 0.00 H
ATOM 88 HA LYS A 5 1.980 1.263 2.571 1.00 0.00 H
ATOM 89 HB2 LYS A 5 3.659 2.887 2.927 1.00 0.00 H
ATOM 90 HB3 LYS A 5 3.885 3.162 1.199 1.00 0.00 H
ATOM 91 HG2 LYS A 5 1.893 4.396 1.008 1.00 0.00 H
ATOM 92 HG3 LYS A 5 1.213 3.718 2.485 1.00 0.00 H
ATOM 93 HD2 LYS A 5 3.748 5.277 2.757 1.00 0.00 H
ATOM 94 HD3 LYS A 5 2.282 6.190 2.401 1.00 0.00 H
ATOM 95 HE2 LYS A 5 2.851 5.805 4.888 1.00 0.00 H
ATOM 96 HE3 LYS A 5 1.202 5.450 4.375 1.00 0.00 H
ATOM 97 HZ1 LYS A 5 2.053 3.661 5.718 1.00 0.00 H
ATOM 98 HZ2 LYS A 5 3.402 3.483 4.702 1.00 0.00 H
ATOM 99 HZ3 LYS A 5 1.847 3.117 4.126 1.00 0.00 H
ATOM 100 N ILE A 6 1.844 1.620 -0.675 1.00 0.00 N
ATOM 101 CA ILE A 6 0.936 1.755 -1.809 1.00 0.00 C
ATOM 102 C ILE A 6 0.016 0.540 -1.887 1.00 0.00 C
ATOM 103 O ILE A 6 -1.026 0.583 -2.539 1.00 0.00 O
ATOM 104 CB ILE A 6 1.736 1.902 -3.117 1.00 0.00 C
ATOM 105 CG1 ILE A 6 2.177 3.362 -3.290 1.00 0.00 C
ATOM 106 CG2 ILE A 6 0.863 1.503 -4.310 1.00 0.00 C
ATOM 107 CD1 ILE A 6 2.825 3.870 -2.000 1.00 0.00 C
ATOM 108 H ILE A 6 2.783 1.391 -0.836 1.00 0.00 H
ATOM 109 HA ILE A 6 0.328 2.639 -1.668 1.00 0.00 H
ATOM 110 HB ILE A 6 2.610 1.263 -3.082 1.00 0.00 H
ATOM 111 HG12 ILE A 6 2.890 3.428 -4.100 1.00 0.00 H
ATOM 112 HG13 ILE A 6 1.316 3.971 -3.521 1.00 0.00 H
ATOM 113 HG21 ILE A 6 -0.117 1.943 -4.203 1.00 0.00 H
ATOM 114 HG22 ILE A 6 0.774 0.427 -4.347 1.00 0.00 H
ATOM 115 HG23 ILE A 6 1.318 1.856 -5.224 1.00 0.00 H
ATOM 116 HD11 ILE A 6 2.055 4.139 -1.293 1.00 0.00 H
ATOM 117 HD12 ILE A 6 3.430 4.737 -2.219 1.00 0.00 H
ATOM 118 HD13 ILE A 6 3.447 3.096 -1.579 1.00 0.00 H
ATOM 119 N ARG A 7 0.408 -0.540 -1.219 1.00 0.00 N
ATOM 120 CA ARG A 7 -0.396 -1.760 -1.208 1.00 0.00 C
ATOM 121 C ARG A 7 -1.482 -1.676 -0.140 1.00 0.00 C
ATOM 122 O ARG A 7 -2.654 -1.938 -0.409 1.00 0.00 O
ATOM 123 CB ARG A 7 0.498 -2.973 -0.941 1.00 0.00 C
ATOM 124 CG ARG A 7 -0.324 -4.258 -1.097 1.00 0.00 C
ATOM 125 CD ARG A 7 0.605 -5.484 -1.079 1.00 0.00 C
ATOM 126 NE ARG A 7 0.158 -6.471 -0.089 1.00 0.00 N
ATOM 127 CZ ARG A 7 -0.150 -6.140 1.163 1.00 0.00 C
ATOM 128 NH1 ARG A 7 0.010 -4.913 1.579 1.00 0.00 N
ATOM 129 NH2 ARG A 7 -0.593 -7.050 1.986 1.00 0.00 N
ATOM 130 H ARG A 7 1.249 -0.514 -0.717 1.00 0.00 H
ATOM 131 HA ARG A 7 -0.870 -1.879 -2.172 1.00 0.00 H
ATOM 132 HB2 ARG A 7 1.316 -2.978 -1.647 1.00 0.00 H
ATOM 133 HB3 ARG A 7 0.890 -2.916 0.063 1.00 0.00 H
ATOM 134 HG2 ARG A 7 -1.039 -4.327 -0.294 1.00 0.00 H
ATOM 135 HG3 ARG A 7 -0.852 -4.226 -2.039 1.00 0.00 H
ATOM 136 HD2 ARG A 7 0.584 -5.956 -2.046 1.00 0.00 H
ATOM 137 HD3 ARG A 7 1.622 -5.164 -0.870 1.00 0.00 H
ATOM 138 HE ARG A 7 0.065 -7.408 -0.365 1.00 0.00 H
ATOM 139 HH11 ARG A 7 0.365 -4.219 0.957 1.00 0.00 H
ATOM 140 HH12 ARG A 7 -0.224 -4.670 2.520 1.00 0.00 H
ATOM 141 HH21 ARG A 7 -0.700 -7.995 1.675 1.00 0.00 H
ATOM 142 HH22 ARG A 7 -0.826 -6.805 2.927 1.00 0.00 H
ATOM 143 N GLN A 8 -1.079 -1.314 1.074 1.00 0.00 N
ATOM 144 CA GLN A 8 -2.017 -1.203 2.183 1.00 0.00 C
ATOM 145 C GLN A 8 -3.238 -0.381 1.780 1.00 0.00 C
ATOM 146 O GLN A 8 -4.375 -0.785 2.019 1.00 0.00 O
ATOM 147 CB GLN A 8 -1.321 -0.543 3.376 1.00 0.00 C
ATOM 148 CG GLN A 8 -0.460 -1.578 4.105 1.00 0.00 C
ATOM 149 CD GLN A 8 -1.350 -2.543 4.882 1.00 0.00 C
ATOM 150 OE1 GLN A 8 -0.852 -3.467 5.524 1.00 0.00 O
ATOM 151 NE2 GLN A 8 -2.645 -2.382 4.860 1.00 0.00 N
ATOM 152 H GLN A 8 -0.133 -1.120 1.229 1.00 0.00 H
ATOM 153 HA GLN A 8 -2.340 -2.192 2.470 1.00 0.00 H
ATOM 154 HB2 GLN A 8 -0.695 0.264 3.026 1.00 0.00 H
ATOM 155 HB3 GLN A 8 -2.062 -0.153 4.055 1.00 0.00 H
ATOM 156 HG2 GLN A 8 0.124 -2.131 3.383 1.00 0.00 H
ATOM 157 HG3 GLN A 8 0.204 -1.072 4.791 1.00 0.00 H
ATOM 158 HE21 GLN A 8 -3.039 -1.645 4.349 1.00 0.00 H
ATOM 159 HE22 GLN A 8 -3.222 -2.998 5.357 1.00 0.00 H
ATOM 160 N VAL A 9 -2.995 0.774 1.172 1.00 0.00 N
ATOM 161 CA VAL A 9 -4.086 1.641 0.747 1.00 0.00 C
ATOM 162 C VAL A 9 -5.106 0.861 -0.073 1.00 0.00 C
ATOM 163 O VAL A 9 -6.307 0.937 0.182 1.00 0.00 O
ATOM 164 CB VAL A 9 -3.545 2.799 -0.091 1.00 0.00 C
ATOM 165 CG1 VAL A 9 -2.793 2.246 -1.298 1.00 0.00 C
ATOM 166 CG2 VAL A 9 -4.713 3.662 -0.566 1.00 0.00 C
ATOM 167 H VAL A 9 -2.067 1.047 1.009 1.00 0.00 H
ATOM 168 HA VAL A 9 -4.575 2.044 1.621 1.00 0.00 H
ATOM 169 HB VAL A 9 -2.874 3.395 0.510 1.00 0.00 H
ATOM 170 HG11 VAL A 9 -2.111 2.995 -1.673 1.00 0.00 H
ATOM 171 HG12 VAL A 9 -3.497 1.980 -2.071 1.00 0.00 H
ATOM 172 HG13 VAL A 9 -2.240 1.372 -0.999 1.00 0.00 H
ATOM 173 HG21 VAL A 9 -5.226 3.163 -1.377 1.00 0.00 H
ATOM 174 HG22 VAL A 9 -4.341 4.616 -0.908 1.00 0.00 H
ATOM 175 HG23 VAL A 9 -5.399 3.814 0.253 1.00 0.00 H
ATOM 176 N ILE A 10 -4.625 0.109 -1.060 1.00 0.00 N
ATOM 177 CA ILE A 10 -5.518 -0.681 -1.902 1.00 0.00 C
ATOM 178 C ILE A 10 -6.539 -1.398 -1.036 1.00 0.00 C
ATOM 179 O ILE A 10 -7.682 -1.604 -1.443 1.00 0.00 O
ATOM 180 CB ILE A 10 -4.719 -1.708 -2.710 1.00 0.00 C
ATOM 181 CG1 ILE A 10 -3.620 -1.000 -3.513 1.00 0.00 C
ATOM 182 CG2 ILE A 10 -5.649 -2.463 -3.664 1.00 0.00 C
ATOM 183 CD1 ILE A 10 -4.233 0.049 -4.447 1.00 0.00 C
ATOM 184 H ILE A 10 -3.658 0.085 -1.221 1.00 0.00 H
ATOM 185 HA ILE A 10 -6.039 -0.020 -2.577 1.00 0.00 H
ATOM 186 HB ILE A 10 -4.264 -2.415 -2.031 1.00 0.00 H
ATOM 187 HG12 ILE A 10 -2.941 -0.517 -2.830 1.00 0.00 H
ATOM 188 HG13 ILE A 10 -3.080 -1.728 -4.100 1.00 0.00 H
ATOM 189 HG21 ILE A 10 -6.453 -2.915 -3.103 1.00 0.00 H
ATOM 190 HG22 ILE A 10 -5.090 -3.235 -4.174 1.00 0.00 H
ATOM 191 HG23 ILE A 10 -6.057 -1.778 -4.389 1.00 0.00 H
ATOM 192 HD11 ILE A 10 -5.157 -0.325 -4.860 1.00 0.00 H
ATOM 193 HD12 ILE A 10 -3.541 0.262 -5.248 1.00 0.00 H
ATOM 194 HD13 ILE A 10 -4.428 0.954 -3.893 1.00 0.00 H
ATOM 195 N ARG A 11 -6.123 -1.756 0.170 1.00 0.00 N
ATOM 196 CA ARG A 11 -7.020 -2.428 1.096 1.00 0.00 C
ATOM 197 C ARG A 11 -8.246 -1.554 1.288 1.00 0.00 C
ATOM 198 O ARG A 11 -9.370 -2.041 1.401 1.00 0.00 O
ATOM 199 CB ARG A 11 -6.323 -2.666 2.439 1.00 0.00 C
ATOM 200 CG ARG A 11 -7.055 -3.766 3.211 1.00 0.00 C
ATOM 201 CD ARG A 11 -6.311 -4.064 4.516 1.00 0.00 C
ATOM 202 NE ARG A 11 -6.679 -3.094 5.541 1.00 0.00 N
ATOM 203 CZ ARG A 11 -6.417 -3.317 6.824 1.00 0.00 C
ATOM 204 NH1 ARG A 11 -5.816 -4.419 7.185 1.00 0.00 N
ATOM 205 NH2 ARG A 11 -6.760 -2.436 7.724 1.00 0.00 N
ATOM 206 H ARG A 11 -5.207 -1.547 0.443 1.00 0.00 H
ATOM 207 HA ARG A 11 -7.321 -3.376 0.673 1.00 0.00 H
ATOM 208 HB2 ARG A 11 -5.300 -2.969 2.262 1.00 0.00 H
ATOM 209 HB3 ARG A 11 -6.332 -1.755 3.017 1.00 0.00 H
ATOM 210 HG2 ARG A 11 -8.060 -3.439 3.436 1.00 0.00 H
ATOM 211 HG3 ARG A 11 -7.095 -4.663 2.611 1.00 0.00 H
ATOM 212 HD2 ARG A 11 -6.570 -5.056 4.857 1.00 0.00 H
ATOM 213 HD3 ARG A 11 -5.246 -4.015 4.343 1.00 0.00 H
ATOM 214 HE ARG A 11 -7.129 -2.264 5.279 1.00 0.00 H
ATOM 215 HH11 ARG A 11 -5.553 -5.094 6.495 1.00 0.00 H
ATOM 216 HH12 ARG A 11 -5.619 -4.588 8.150 1.00 0.00 H
ATOM 217 HH21 ARG A 11 -7.219 -1.593 7.447 1.00 0.00 H
ATOM 218 HH22 ARG A 11 -6.562 -2.605 8.689 1.00 0.00 H
ATOM 219 N LYS A 12 -8.006 -0.249 1.282 1.00 0.00 N
ATOM 220 CA LYS A 12 -9.076 0.722 1.410 1.00 0.00 C
ATOM 221 C LYS A 12 -9.645 1.002 0.027 1.00 0.00 C
ATOM 222 O LYS A 12 -10.830 1.302 -0.122 1.00 0.00 O
ATOM 223 CB LYS A 12 -8.541 2.014 2.032 1.00 0.00 C
ATOM 224 CG LYS A 12 -9.698 2.983 2.286 1.00 0.00 C
ATOM 225 CD LYS A 12 -9.142 4.320 2.781 1.00 0.00 C
ATOM 226 CE LYS A 12 -10.285 5.325 2.937 1.00 0.00 C
ATOM 227 NZ LYS A 12 -11.389 4.704 3.720 1.00 0.00 N
ATOM 228 H LYS A 12 -7.087 0.068 1.158 1.00 0.00 H
ATOM 229 HA LYS A 12 -9.854 0.316 2.042 1.00 0.00 H
ATOM 230 HB2 LYS A 12 -8.051 1.785 2.967 1.00 0.00 H
ATOM 231 HB3 LYS A 12 -7.833 2.471 1.357 1.00 0.00 H
ATOM 232 HG2 LYS A 12 -10.247 3.137 1.368 1.00 0.00 H
ATOM 233 HG3 LYS A 12 -10.356 2.570 3.036 1.00 0.00 H
ATOM 234 HD2 LYS A 12 -8.655 4.177 3.734 1.00 0.00 H
ATOM 235 HD3 LYS A 12 -8.427 4.699 2.065 1.00 0.00 H
ATOM 236 HE2 LYS A 12 -9.924 6.202 3.455 1.00 0.00 H
ATOM 237 HE3 LYS A 12 -10.650 5.608 1.961 1.00 0.00 H
ATOM 238 HZ1 LYS A 12 -12.024 4.189 3.077 1.00 0.00 H
ATOM 239 HZ2 LYS A 12 -11.923 5.448 4.214 1.00 0.00 H
ATOM 240 HZ3 LYS A 12 -10.991 4.042 4.415 1.00 0.00 H
ATOM 241 N PHE A 13 -8.788 0.877 -0.992 1.00 0.00 N
ATOM 242 CA PHE A 13 -9.214 1.095 -2.365 1.00 0.00 C
ATOM 243 C PHE A 13 -8.115 0.726 -3.353 1.00 0.00 C
ATOM 244 O PHE A 13 -7.260 1.546 -3.677 1.00 0.00 O
ATOM 245 CB PHE A 13 -9.654 2.543 -2.569 1.00 0.00 C
ATOM 246 CG PHE A 13 -8.503 3.523 -2.438 1.00 0.00 C
ATOM 247 CD1 PHE A 13 -8.196 4.078 -1.189 1.00 0.00 C
ATOM 248 CD2 PHE A 13 -7.774 3.913 -3.572 1.00 0.00 C
ATOM 249 CE1 PHE A 13 -7.160 5.012 -1.073 1.00 0.00 C
ATOM 250 CE2 PHE A 13 -6.741 4.850 -3.453 1.00 0.00 C
ATOM 251 CZ PHE A 13 -6.434 5.399 -2.205 1.00 0.00 C
ATOM 252 H PHE A 13 -7.859 0.618 -0.813 1.00 0.00 H
ATOM 253 HA PHE A 13 -10.063 0.455 -2.557 1.00 0.00 H
ATOM 254 HB2 PHE A 13 -10.086 2.638 -3.545 1.00 0.00 H
ATOM 255 HB3 PHE A 13 -10.395 2.776 -1.831 1.00 0.00 H
ATOM 256 HD1 PHE A 13 -8.751 3.781 -0.313 1.00 0.00 H
ATOM 257 HD2 PHE A 13 -8.005 3.489 -4.536 1.00 0.00 H
ATOM 258 HE1 PHE A 13 -6.925 5.439 -0.109 1.00 0.00 H
ATOM 259 HE2 PHE A 13 -6.180 5.147 -4.326 1.00 0.00 H
ATOM 260 HZ PHE A 13 -5.638 6.123 -2.115 1.00 0.00 H
HETATM 261 N NH2 A 14 -8.087 -0.478 -3.855 1.00 0.00 N
HETATM 262 HN1 NH2 A 14 -8.769 -1.133 -3.595 1.00 0.00 H
HETATM 263 HN2 NH2 A 14 -7.388 -0.725 -4.495 1.00 0.00 H
TER 264 NH2 A 14
ENDMDL
MODEL 3
ATOM 1 N ARG A 1 9.257 -1.205 2.239 1.00 0.00 N
ATOM 2 CA ARG A 1 9.332 -0.718 0.833 1.00 0.00 C
ATOM 3 C ARG A 1 8.342 0.429 0.643 1.00 0.00 C
ATOM 4 O ARG A 1 7.247 0.414 1.202 1.00 0.00 O
ATOM 5 CB ARG A 1 8.999 -1.873 -0.120 1.00 0.00 C
ATOM 6 CG ARG A 1 9.794 -1.719 -1.420 1.00 0.00 C
ATOM 7 CD ARG A 1 9.468 -2.880 -2.370 1.00 0.00 C
ATOM 8 NE ARG A 1 10.685 -3.396 -2.997 1.00 0.00 N
ATOM 9 CZ ARG A 1 11.636 -2.589 -3.469 1.00 0.00 C
ATOM 10 NH1 ARG A 1 11.476 -1.294 -3.447 1.00 0.00 N
ATOM 11 NH2 ARG A 1 12.725 -3.100 -3.976 1.00 0.00 N
ATOM 12 H1 ARG A 1 9.451 -2.226 2.264 1.00 0.00 H
ATOM 13 H2 ARG A 1 8.304 -1.022 2.618 1.00 0.00 H
ATOM 14 H3 ARG A 1 9.961 -0.706 2.818 1.00 0.00 H
ATOM 15 HA ARG A 1 10.333 -0.362 0.634 1.00 0.00 H
ATOM 16 HB2 ARG A 1 9.259 -2.811 0.350 1.00 0.00 H
ATOM 17 HB3 ARG A 1 7.943 -1.865 -0.345 1.00 0.00 H
ATOM 18 HG2 ARG A 1 9.532 -0.781 -1.889 1.00 0.00 H
ATOM 19 HG3 ARG A 1 10.850 -1.726 -1.195 1.00 0.00 H
ATOM 20 HD2 ARG A 1 9.008 -3.680 -1.812 1.00 0.00 H
ATOM 21 HD3 ARG A 1 8.774 -2.537 -3.129 1.00 0.00 H
ATOM 22 HE ARG A 1 10.815 -4.366 -3.055 1.00 0.00 H
ATOM 23 HH11 ARG A 1 10.637 -0.899 -3.078 1.00 0.00 H
ATOM 24 HH12 ARG A 1 12.195 -0.697 -3.801 1.00 0.00 H
ATOM 25 HH21 ARG A 1 12.844 -4.092 -4.009 1.00 0.00 H
ATOM 26 HH22 ARG A 1 13.441 -2.498 -4.330 1.00 0.00 H
ATOM 27 N LEU A 2 8.737 1.422 -0.145 1.00 0.00 N
ATOM 28 CA LEU A 2 7.876 2.572 -0.394 1.00 0.00 C
ATOM 29 C LEU A 2 6.530 2.137 -0.937 1.00 0.00 C
ATOM 30 O LEU A 2 5.555 2.884 -0.865 1.00 0.00 O
ATOM 31 CB LEU A 2 8.578 3.562 -1.343 1.00 0.00 C
ATOM 32 CG LEU A 2 8.459 3.164 -2.811 1.00 0.00 C
ATOM 33 CD1 LEU A 2 8.922 1.717 -3.002 1.00 0.00 C
ATOM 34 CD2 LEU A 2 7.012 3.349 -3.282 1.00 0.00 C
ATOM 35 H LEU A 2 9.623 1.384 -0.562 1.00 0.00 H
ATOM 36 HA LEU A 2 7.696 3.076 0.534 1.00 0.00 H
ATOM 37 HB2 LEU A 2 8.151 4.537 -1.216 1.00 0.00 H
ATOM 38 HB3 LEU A 2 9.617 3.593 -1.089 1.00 0.00 H
ATOM 39 HG LEU A 2 9.101 3.808 -3.395 1.00 0.00 H
ATOM 40 HD11 LEU A 2 8.111 1.046 -2.795 1.00 0.00 H
ATOM 41 HD12 LEU A 2 9.739 1.509 -2.327 1.00 0.00 H
ATOM 42 HD13 LEU A 2 9.256 1.579 -4.018 1.00 0.00 H
ATOM 43 HD21 LEU A 2 7.013 3.730 -4.288 1.00 0.00 H
ATOM 44 HD22 LEU A 2 6.505 4.049 -2.633 1.00 0.00 H
ATOM 45 HD23 LEU A 2 6.502 2.407 -3.256 1.00 0.00 H
ATOM 46 N PHE A 3 6.477 0.935 -1.485 1.00 0.00 N
ATOM 47 CA PHE A 3 5.239 0.427 -2.045 1.00 0.00 C
ATOM 48 C PHE A 3 4.388 -0.251 -0.981 1.00 0.00 C
ATOM 49 O PHE A 3 3.162 -0.268 -1.081 1.00 0.00 O
ATOM 50 CB PHE A 3 5.543 -0.531 -3.189 1.00 0.00 C
ATOM 51 CG PHE A 3 6.070 0.262 -4.367 1.00 0.00 C
ATOM 52 CD1 PHE A 3 5.257 1.222 -4.989 1.00 0.00 C
ATOM 53 CD2 PHE A 3 7.364 0.029 -4.847 1.00 0.00 C
ATOM 54 CE1 PHE A 3 5.740 1.945 -6.087 1.00 0.00 C
ATOM 55 CE2 PHE A 3 7.844 0.748 -5.949 1.00 0.00 C
ATOM 56 CZ PHE A 3 7.032 1.705 -6.569 1.00 0.00 C
ATOM 57 H PHE A 3 7.285 0.382 -1.519 1.00 0.00 H
ATOM 58 HA PHE A 3 4.681 1.260 -2.439 1.00 0.00 H
ATOM 59 HB2 PHE A 3 6.285 -1.250 -2.871 1.00 0.00 H
ATOM 60 HB3 PHE A 3 4.641 -1.048 -3.479 1.00 0.00 H
ATOM 61 HD1 PHE A 3 4.267 1.422 -4.608 1.00 0.00 H
ATOM 62 HD2 PHE A 3 7.998 -0.694 -4.356 1.00 0.00 H
ATOM 63 HE1 PHE A 3 5.114 2.683 -6.565 1.00 0.00 H
ATOM 64 HE2 PHE A 3 8.843 0.568 -6.319 1.00 0.00 H
ATOM 65 HZ PHE A 3 7.402 2.260 -7.418 1.00 0.00 H
ATOM 66 N ASP A 4 5.029 -0.796 0.048 1.00 0.00 N
ATOM 67 CA ASP A 4 4.282 -1.440 1.115 1.00 0.00 C
ATOM 68 C ASP A 4 3.190 -0.490 1.583 1.00 0.00 C
ATOM 69 O ASP A 4 2.189 -0.901 2.170 1.00 0.00 O
ATOM 70 CB ASP A 4 5.213 -1.786 2.279 1.00 0.00 C
ATOM 71 CG ASP A 4 6.010 -3.046 1.956 1.00 0.00 C
ATOM 72 OD1 ASP A 4 6.400 -3.198 0.810 1.00 0.00 O
ATOM 73 OD2 ASP A 4 6.217 -3.839 2.858 1.00 0.00 O
ATOM 74 H ASP A 4 6.006 -0.749 0.099 1.00 0.00 H
ATOM 75 HA ASP A 4 3.829 -2.345 0.737 1.00 0.00 H
ATOM 76 HB2 ASP A 4 5.892 -0.966 2.450 1.00 0.00 H
ATOM 77 HB3 ASP A 4 4.626 -1.955 3.166 1.00 0.00 H
ATOM 78 N LYS A 5 3.401 0.791 1.294 1.00 0.00 N
ATOM 79 CA LYS A 5 2.447 1.830 1.653 1.00 0.00 C
ATOM 80 C LYS A 5 1.405 1.984 0.547 1.00 0.00 C
ATOM 81 O LYS A 5 0.284 2.429 0.792 1.00 0.00 O
ATOM 82 CB LYS A 5 3.192 3.154 1.873 1.00 0.00 C
ATOM 83 CG LYS A 5 2.189 4.309 1.981 1.00 0.00 C
ATOM 84 CD LYS A 5 2.925 5.601 2.356 1.00 0.00 C
ATOM 85 CE LYS A 5 3.534 5.476 3.758 1.00 0.00 C
ATOM 86 NZ LYS A 5 3.591 6.823 4.394 1.00 0.00 N
ATOM 87 H LYS A 5 4.217 1.042 0.812 1.00 0.00 H
ATOM 88 HA LYS A 5 1.949 1.551 2.570 1.00 0.00 H
ATOM 89 HB2 LYS A 5 3.765 3.090 2.786 1.00 0.00 H
ATOM 90 HB3 LYS A 5 3.862 3.335 1.043 1.00 0.00 H
ATOM 91 HG2 LYS A 5 1.692 4.445 1.032 1.00 0.00 H
ATOM 92 HG3 LYS A 5 1.457 4.082 2.740 1.00 0.00 H
ATOM 93 HD2 LYS A 5 3.711 5.787 1.638 1.00 0.00 H
ATOM 94 HD3 LYS A 5 2.227 6.426 2.343 1.00 0.00 H
ATOM 95 HE2 LYS A 5 2.926 4.819 4.363 1.00 0.00 H
ATOM 96 HE3 LYS A 5 4.533 5.074 3.683 1.00 0.00 H
ATOM 97 HZ1 LYS A 5 4.387 7.360 3.999 1.00 0.00 H
ATOM 98 HZ2 LYS A 5 3.718 6.715 5.421 1.00 0.00 H
ATOM 99 HZ3 LYS A 5 2.704 7.332 4.205 1.00 0.00 H
ATOM 100 N ILE A 6 1.785 1.608 -0.674 1.00 0.00 N
ATOM 101 CA ILE A 6 0.880 1.700 -1.815 1.00 0.00 C
ATOM 102 C ILE A 6 0.006 0.449 -1.899 1.00 0.00 C
ATOM 103 O ILE A 6 -1.046 0.459 -2.532 1.00 0.00 O
ATOM 104 CB ILE A 6 1.682 1.867 -3.118 1.00 0.00 C
ATOM 105 CG1 ILE A 6 2.121 3.329 -3.271 1.00 0.00 C
ATOM 106 CG2 ILE A 6 0.806 1.484 -4.315 1.00 0.00 C
ATOM 107 CD1 ILE A 6 2.769 3.817 -1.975 1.00 0.00 C
ATOM 108 H ILE A 6 2.691 1.257 -0.807 1.00 0.00 H
ATOM 109 HA ILE A 6 0.240 2.562 -1.686 1.00 0.00 H
ATOM 110 HB ILE A 6 2.555 1.227 -3.092 1.00 0.00 H
ATOM 111 HG12 ILE A 6 2.833 3.406 -4.080 1.00 0.00 H
ATOM 112 HG13 ILE A 6 1.259 3.941 -3.492 1.00 0.00 H
ATOM 113 HG21 ILE A 6 -0.185 1.892 -4.182 1.00 0.00 H
ATOM 114 HG22 ILE A 6 0.745 0.408 -4.386 1.00 0.00 H
ATOM 115 HG23 ILE A 6 1.240 1.881 -5.222 1.00 0.00 H
ATOM 116 HD11 ILE A 6 3.342 4.711 -2.173 1.00 0.00 H
ATOM 117 HD12 ILE A 6 3.422 3.050 -1.590 1.00 0.00 H
ATOM 118 HD13 ILE A 6 2.002 4.034 -1.247 1.00 0.00 H
ATOM 119 N ARG A 7 0.455 -0.627 -1.262 1.00 0.00 N
ATOM 120 CA ARG A 7 -0.296 -1.879 -1.268 1.00 0.00 C
ATOM 121 C ARG A 7 -1.381 -1.867 -0.197 1.00 0.00 C
ATOM 122 O ARG A 7 -2.507 -2.308 -0.430 1.00 0.00 O
ATOM 123 CB ARG A 7 0.653 -3.056 -1.020 1.00 0.00 C
ATOM 124 CG ARG A 7 1.539 -3.283 -2.257 1.00 0.00 C
ATOM 125 CD ARG A 7 1.031 -4.492 -3.049 1.00 0.00 C
ATOM 126 NE ARG A 7 1.449 -5.728 -2.399 1.00 0.00 N
ATOM 127 CZ ARG A 7 0.891 -6.893 -2.711 1.00 0.00 C
ATOM 128 NH1 ARG A 7 -0.050 -6.945 -3.613 1.00 0.00 N
ATOM 129 NH2 ARG A 7 1.283 -7.985 -2.114 1.00 0.00 N
ATOM 130 H ARG A 7 1.305 -0.578 -0.776 1.00 0.00 H
ATOM 131 HA ARG A 7 -0.764 -2.007 -2.233 1.00 0.00 H
ATOM 132 HB2 ARG A 7 1.277 -2.836 -0.165 1.00 0.00 H
ATOM 133 HB3 ARG A 7 0.075 -3.947 -0.821 1.00 0.00 H
ATOM 134 HG2 ARG A 7 1.515 -2.405 -2.888 1.00 0.00 H
ATOM 135 HG3 ARG A 7 2.556 -3.467 -1.941 1.00 0.00 H
ATOM 136 HD2 ARG A 7 -0.048 -4.461 -3.097 1.00 0.00 H
ATOM 137 HD3 ARG A 7 1.434 -4.458 -4.049 1.00 0.00 H
ATOM 138 HE ARG A 7 2.155 -5.701 -1.720 1.00 0.00 H
ATOM 139 HH11 ARG A 7 -0.352 -6.109 -4.070 1.00 0.00 H
ATOM 140 HH12 ARG A 7 -0.471 -7.822 -3.846 1.00 0.00 H
ATOM 141 HH21 ARG A 7 2.005 -7.947 -1.423 1.00 0.00 H
ATOM 142 HH22 ARG A 7 0.863 -8.862 -2.348 1.00 0.00 H
ATOM 143 N GLN A 8 -1.028 -1.370 0.983 1.00 0.00 N
ATOM 144 CA GLN A 8 -1.964 -1.315 2.097 1.00 0.00 C
ATOM 145 C GLN A 8 -3.170 -0.439 1.771 1.00 0.00 C
ATOM 146 O GLN A 8 -4.302 -0.781 2.116 1.00 0.00 O
ATOM 147 CB GLN A 8 -1.252 -0.767 3.334 1.00 0.00 C
ATOM 148 CG GLN A 8 -0.255 -1.806 3.853 1.00 0.00 C
ATOM 149 CD GLN A 8 0.723 -1.152 4.824 1.00 0.00 C
ATOM 150 OE1 GLN A 8 0.394 -0.148 5.456 1.00 0.00 O
ATOM 151 NE2 GLN A 8 1.912 -1.666 4.983 1.00 0.00 N
ATOM 152 H GLN A 8 -0.114 -1.044 1.113 1.00 0.00 H
ATOM 153 HA GLN A 8 -2.307 -2.314 2.314 1.00 0.00 H
ATOM 154 HB2 GLN A 8 -0.725 0.140 3.074 1.00 0.00 H
ATOM 155 HB3 GLN A 8 -1.978 -0.553 4.100 1.00 0.00 H
ATOM 156 HG2 GLN A 8 -0.792 -2.594 4.361 1.00 0.00 H
ATOM 157 HG3 GLN A 8 0.293 -2.223 3.023 1.00 0.00 H
ATOM 158 HE21 GLN A 8 2.173 -2.465 4.478 1.00 0.00 H
ATOM 159 HE22 GLN A 8 2.545 -1.253 5.606 1.00 0.00 H
ATOM 160 N VAL A 9 -2.930 0.693 1.118 1.00 0.00 N
ATOM 161 CA VAL A 9 -4.022 1.599 0.776 1.00 0.00 C
ATOM 162 C VAL A 9 -5.084 0.891 -0.054 1.00 0.00 C
ATOM 163 O VAL A 9 -6.269 0.969 0.262 1.00 0.00 O
ATOM 164 CB VAL A 9 -3.505 2.808 -0.001 1.00 0.00 C
ATOM 165 CG1 VAL A 9 -2.809 2.345 -1.280 1.00 0.00 C
ATOM 166 CG2 VAL A 9 -4.692 3.701 -0.365 1.00 0.00 C
ATOM 167 H VAL A 9 -2.010 0.926 0.873 1.00 0.00 H
ATOM 168 HA VAL A 9 -4.478 1.949 1.690 1.00 0.00 H
ATOM 169 HB VAL A 9 -2.808 3.360 0.610 1.00 0.00 H
ATOM 170 HG11 VAL A 9 -2.007 3.027 -1.521 1.00 0.00 H
ATOM 171 HG12 VAL A 9 -3.520 2.330 -2.091 1.00 0.00 H
ATOM 172 HG13 VAL A 9 -2.408 1.355 -1.132 1.00 0.00 H
ATOM 173 HG21 VAL A 9 -4.335 4.674 -0.665 1.00 0.00 H
ATOM 174 HG22 VAL A 9 -5.341 3.803 0.493 1.00 0.00 H
ATOM 175 HG23 VAL A 9 -5.244 3.252 -1.180 1.00 0.00 H
ATOM 176 N ILE A 10 -4.671 0.208 -1.121 1.00 0.00 N
ATOM 177 CA ILE A 10 -5.639 -0.488 -1.963 1.00 0.00 C
ATOM 178 C ILE A 10 -6.626 -1.240 -1.078 1.00 0.00 C
ATOM 179 O ILE A 10 -7.816 -1.320 -1.382 1.00 0.00 O
ATOM 180 CB ILE A 10 -4.941 -1.466 -2.926 1.00 0.00 C
ATOM 181 CG1 ILE A 10 -4.623 -0.762 -4.251 1.00 0.00 C
ATOM 182 CG2 ILE A 10 -5.863 -2.655 -3.215 1.00 0.00 C
ATOM 183 CD1 ILE A 10 -3.816 0.507 -3.987 1.00 0.00 C
ATOM 184 H ILE A 10 -3.716 0.179 -1.342 1.00 0.00 H
ATOM 185 HA ILE A 10 -6.182 0.246 -2.536 1.00 0.00 H
ATOM 186 HB ILE A 10 -4.025 -1.822 -2.475 1.00 0.00 H
ATOM 187 HG12 ILE A 10 -4.051 -1.427 -4.881 1.00 0.00 H
ATOM 188 HG13 ILE A 10 -5.546 -0.501 -4.749 1.00 0.00 H
ATOM 189 HG21 ILE A 10 -5.873 -3.319 -2.365 1.00 0.00 H
ATOM 190 HG22 ILE A 10 -5.503 -3.186 -4.083 1.00 0.00 H
ATOM 191 HG23 ILE A 10 -6.864 -2.295 -3.403 1.00 0.00 H
ATOM 192 HD11 ILE A 10 -3.153 0.691 -4.821 1.00 0.00 H
ATOM 193 HD12 ILE A 10 -3.235 0.382 -3.088 1.00 0.00 H
ATOM 194 HD13 ILE A 10 -4.488 1.343 -3.873 1.00 0.00 H
ATOM 195 N ARG A 11 -6.121 -1.769 0.029 1.00 0.00 N
ATOM 196 CA ARG A 11 -6.972 -2.488 0.966 1.00 0.00 C
ATOM 197 C ARG A 11 -8.143 -1.589 1.314 1.00 0.00 C
ATOM 198 O ARG A 11 -9.260 -2.046 1.558 1.00 0.00 O
ATOM 199 CB ARG A 11 -6.183 -2.853 2.231 1.00 0.00 C
ATOM 200 CG ARG A 11 -6.761 -4.126 2.858 1.00 0.00 C
ATOM 201 CD ARG A 11 -5.883 -4.560 4.033 1.00 0.00 C
ATOM 202 NE ARG A 11 -6.230 -5.914 4.449 1.00 0.00 N
ATOM 203 CZ ARG A 11 -5.415 -6.626 5.223 1.00 0.00 C
ATOM 204 NH1 ARG A 11 -4.281 -6.118 5.619 1.00 0.00 N
ATOM 205 NH2 ARG A 11 -5.749 -7.835 5.583 1.00 0.00 N
ATOM 206 H ARG A 11 -5.173 -1.653 0.225 1.00 0.00 H
ATOM 207 HA ARG A 11 -7.340 -3.388 0.495 1.00 0.00 H
ATOM 208 HB2 ARG A 11 -5.147 -3.021 1.969 1.00 0.00 H
ATOM 209 HB3 ARG A 11 -6.245 -2.043 2.943 1.00 0.00 H
ATOM 210 HG2 ARG A 11 -7.764 -3.930 3.210 1.00 0.00 H
ATOM 211 HG3 ARG A 11 -6.786 -4.914 2.121 1.00 0.00 H
ATOM 212 HD2 ARG A 11 -4.845 -4.533 3.732 1.00 0.00 H
ATOM 213 HD3 ARG A 11 -6.032 -3.883 4.861 1.00 0.00 H
ATOM 214 HE ARG A 11 -7.079 -6.305 4.155 1.00 0.00 H
ATOM 215 HH11 ARG A 11 -4.024 -5.191 5.342 1.00 0.00 H
ATOM 216 HH12 ARG A 11 -3.669 -6.654 6.201 1.00 0.00 H
ATOM 217 HH21 ARG A 11 -6.618 -8.225 5.279 1.00 0.00 H
ATOM 218 HH22 ARG A 11 -5.137 -8.371 6.165 1.00 0.00 H
ATOM 219 N LYS A 12 -7.866 -0.293 1.286 1.00 0.00 N
ATOM 220 CA LYS A 12 -8.873 0.715 1.546 1.00 0.00 C
ATOM 221 C LYS A 12 -9.565 1.052 0.231 1.00 0.00 C
ATOM 222 O LYS A 12 -10.745 1.400 0.207 1.00 0.00 O
ATOM 223 CB LYS A 12 -8.221 1.966 2.138 1.00 0.00 C
ATOM 224 CG LYS A 12 -9.299 2.898 2.694 1.00 0.00 C
ATOM 225 CD LYS A 12 -8.693 4.279 2.958 1.00 0.00 C
ATOM 226 CE LYS A 12 -7.439 4.135 3.824 1.00 0.00 C
ATOM 227 NZ LYS A 12 -7.085 5.458 4.411 1.00 0.00 N
ATOM 228 H LYS A 12 -6.957 -0.006 1.053 1.00 0.00 H
ATOM 229 HA LYS A 12 -9.600 0.326 2.244 1.00 0.00 H
ATOM 230 HB2 LYS A 12 -7.551 1.676 2.934 1.00 0.00 H
ATOM 231 HB3 LYS A 12 -7.665 2.479 1.369 1.00 0.00 H
ATOM 232 HG2 LYS A 12 -10.102 2.987 1.976 1.00 0.00 H
ATOM 233 HG3 LYS A 12 -9.684 2.493 3.618 1.00 0.00 H
ATOM 234 HD2 LYS A 12 -8.430 4.743 2.019 1.00 0.00 H
ATOM 235 HD3 LYS A 12 -9.413 4.895 3.474 1.00 0.00 H
ATOM 236 HE2 LYS A 12 -7.628 3.428 4.618 1.00 0.00 H
ATOM 237 HE3 LYS A 12 -6.619 3.781 3.215 1.00 0.00 H
ATOM 238 HZ1 LYS A 12 -7.954 5.978 4.645 1.00 0.00 H
ATOM 239 HZ2 LYS A 12 -6.528 6.004 3.721 1.00 0.00 H
ATOM 240 HZ3 LYS A 12 -6.526 5.317 5.275 1.00 0.00 H
ATOM 241 N PHE A 13 -8.818 0.916 -0.870 1.00 0.00 N
ATOM 242 CA PHE A 13 -9.371 1.177 -2.191 1.00 0.00 C
ATOM 243 C PHE A 13 -8.403 0.763 -3.294 1.00 0.00 C
ATOM 244 O PHE A 13 -7.529 1.531 -3.685 1.00 0.00 O
ATOM 245 CB PHE A 13 -9.753 2.651 -2.339 1.00 0.00 C
ATOM 246 CG PHE A 13 -8.555 3.577 -2.235 1.00 0.00 C
ATOM 247 CD1 PHE A 13 -7.833 3.938 -3.384 1.00 0.00 C
ATOM 248 CD2 PHE A 13 -8.198 4.120 -0.993 1.00 0.00 C
ATOM 249 CE1 PHE A 13 -6.764 4.834 -3.289 1.00 0.00 C
ATOM 250 CE2 PHE A 13 -7.124 5.010 -0.900 1.00 0.00 C
ATOM 251 CZ PHE A 13 -6.409 5.371 -2.048 1.00 0.00 C
ATOM 252 H PHE A 13 -7.885 0.615 -0.791 1.00 0.00 H
ATOM 253 HA PHE A 13 -10.270 0.588 -2.298 1.00 0.00 H
ATOM 254 HB2 PHE A 13 -10.218 2.790 -3.295 1.00 0.00 H
ATOM 255 HB3 PHE A 13 -10.456 2.899 -1.565 1.00 0.00 H
ATOM 256 HD1 PHE A 13 -8.100 3.523 -4.343 1.00 0.00 H
ATOM 257 HD2 PHE A 13 -8.742 3.841 -0.105 1.00 0.00 H
ATOM 258 HE1 PHE A 13 -6.210 5.110 -4.175 1.00 0.00 H
ATOM 259 HE2 PHE A 13 -6.851 5.428 0.058 1.00 0.00 H
ATOM 260 HZ PHE A 13 -5.583 6.064 -1.975 1.00 0.00 H
HETATM 261 N NH2 A 14 -8.510 -0.424 -3.823 1.00 0.00 N
HETATM 262 HN1 NH2 A 14 -9.207 -1.038 -3.512 1.00 0.00 H
HETATM 263 HN2 NH2 A 14 -7.892 -0.703 -4.532 1.00 0.00 H
TER 264 NH2 A 14
ENDMDL
MODEL 4
ATOM 1 N ARG A 1 10.644 -0.327 0.877 1.00 0.00 N
ATOM 2 CA ARG A 1 9.269 -0.895 0.793 1.00 0.00 C
ATOM 3 C ARG A 1 8.267 0.239 0.609 1.00 0.00 C
ATOM 4 O ARG A 1 7.109 0.133 1.011 1.00 0.00 O
ATOM 5 CB ARG A 1 8.960 -1.668 2.079 1.00 0.00 C
ATOM 6 CG ARG A 1 8.851 -0.689 3.251 1.00 0.00 C
ATOM 7 CD ARG A 1 8.900 -1.461 4.570 1.00 0.00 C
ATOM 8 NE ARG A 1 8.499 -0.599 5.675 1.00 0.00 N
ATOM 9 CZ ARG A 1 8.159 -1.105 6.855 1.00 0.00 C
ATOM 10 NH1 ARG A 1 8.181 -2.396 7.043 1.00 0.00 N
ATOM 11 NH2 ARG A 1 7.803 -0.311 7.827 1.00 0.00 N
ATOM 12 H1 ARG A 1 11.298 -1.051 1.234 1.00 0.00 H
ATOM 13 H2 ARG A 1 10.643 0.489 1.523 1.00 0.00 H
ATOM 14 H3 ARG A 1 10.951 -0.022 -0.067 1.00 0.00 H
ATOM 15 HA ARG A 1 9.211 -1.563 -0.051 1.00 0.00 H
ATOM 16 HB2 ARG A 1 8.027 -2.199 1.964 1.00 0.00 H
ATOM 17 HB3 ARG A 1 9.754 -2.372 2.275 1.00 0.00 H
ATOM 18 HG2 ARG A 1 9.672 0.011 3.212 1.00 0.00 H
ATOM 19 HG3 ARG A 1 7.916 -0.152 3.186 1.00 0.00 H
ATOM 20 HD2 ARG A 1 8.229 -2.306 4.516 1.00 0.00 H
ATOM 21 HD3 ARG A 1 9.905 -1.814 4.740 1.00 0.00 H
ATOM 22 HE ARG A 1 8.480 0.373 5.545 1.00 0.00 H
ATOM 23 HH11 ARG A 1 8.453 -3.005 6.299 1.00 0.00 H
ATOM 24 HH12 ARG A 1 7.925 -2.777 7.932 1.00 0.00 H
ATOM 25 HH21 ARG A 1 7.786 0.679 7.683 1.00 0.00 H
ATOM 26 HH22 ARG A 1 7.546 -0.691 8.716 1.00 0.00 H
ATOM 27 N LEU A 2 8.725 1.322 -0.003 1.00 0.00 N
ATOM 28 CA LEU A 2 7.868 2.477 -0.240 1.00 0.00 C
ATOM 29 C LEU A 2 6.538 2.056 -0.827 1.00 0.00 C
ATOM 30 O LEU A 2 5.575 2.820 -0.810 1.00 0.00 O
ATOM 31 CB LEU A 2 8.589 3.488 -1.149 1.00 0.00 C
ATOM 32 CG LEU A 2 8.585 3.064 -2.614 1.00 0.00 C
ATOM 33 CD1 LEU A 2 9.112 1.633 -2.742 1.00 0.00 C
ATOM 34 CD2 LEU A 2 7.171 3.182 -3.182 1.00 0.00 C
ATOM 35 H LEU A 2 9.658 1.344 -0.302 1.00 0.00 H
ATOM 36 HA LEU A 2 7.668 2.958 0.693 1.00 0.00 H
ATOM 37 HB2 LEU A 2 8.110 4.445 -1.064 1.00 0.00 H
ATOM 38 HB3 LEU A 2 9.604 3.568 -0.826 1.00 0.00 H
ATOM 39 HG LEU A 2 9.242 3.724 -3.165 1.00 0.00 H
ATOM 40 HD11 LEU A 2 8.330 0.936 -2.502 1.00 0.00 H
ATOM 41 HD12 LEU A 2 9.939 1.491 -2.062 1.00 0.00 H
ATOM 42 HD13 LEU A 2 9.449 1.464 -3.751 1.00 0.00 H
ATOM 43 HD21 LEU A 2 7.225 3.513 -4.204 1.00 0.00 H
ATOM 44 HD22 LEU A 2 6.605 3.900 -2.603 1.00 0.00 H
ATOM 45 HD23 LEU A 2 6.685 2.229 -3.138 1.00 0.00 H
ATOM 46 N PHE A 3 6.489 0.846 -1.358 1.00 0.00 N
ATOM 47 CA PHE A 3 5.268 0.347 -1.963 1.00 0.00 C
ATOM 48 C PHE A 3 4.351 -0.287 -0.927 1.00 0.00 C
ATOM 49 O PHE A 3 3.130 -0.258 -1.076 1.00 0.00 O
ATOM 50 CB PHE A 3 5.611 -0.648 -3.061 1.00 0.00 C
ATOM 51 CG PHE A 3 6.243 0.098 -4.215 1.00 0.00 C
ATOM 52 CD1 PHE A 3 5.494 1.038 -4.937 1.00 0.00 C
ATOM 53 CD2 PHE A 3 7.572 -0.160 -4.574 1.00 0.00 C
ATOM 54 CE1 PHE A 3 6.073 1.717 -6.015 1.00 0.00 C
ATOM 55 CE2 PHE A 3 8.148 0.515 -5.659 1.00 0.00 C
ATOM 56 CZ PHE A 3 7.399 1.452 -6.378 1.00 0.00 C
ATOM 57 H PHE A 3 7.289 0.281 -1.351 1.00 0.00 H
ATOM 58 HA PHE A 3 4.747 1.179 -2.409 1.00 0.00 H
ATOM 59 HB2 PHE A 3 6.304 -1.384 -2.679 1.00 0.00 H
ATOM 60 HB3 PHE A 3 4.712 -1.139 -3.400 1.00 0.00 H
ATOM 61 HD1 PHE A 3 4.477 1.258 -4.645 1.00 0.00 H
ATOM 62 HD2 PHE A 3 8.156 -0.868 -4.004 1.00 0.00 H
ATOM 63 HE1 PHE A 3 5.496 2.440 -6.571 1.00 0.00 H
ATOM 64 HE2 PHE A 3 9.173 0.315 -5.934 1.00 0.00 H
ATOM 65 HZ PHE A 3 7.844 1.972 -7.214 1.00 0.00 H
ATOM 66 N ASP A 4 4.929 -0.843 0.132 1.00 0.00 N
ATOM 67 CA ASP A 4 4.115 -1.447 1.174 1.00 0.00 C
ATOM 68 C ASP A 4 3.024 -0.460 1.567 1.00 0.00 C
ATOM 69 O ASP A 4 1.986 -0.835 2.111 1.00 0.00 O
ATOM 70 CB ASP A 4 4.980 -1.792 2.388 1.00 0.00 C
ATOM 71 CG ASP A 4 5.628 -3.159 2.199 1.00 0.00 C
ATOM 72 OD1 ASP A 4 6.172 -3.391 1.132 1.00 0.00 O
ATOM 73 OD2 ASP A 4 5.572 -3.954 3.122 1.00 0.00 O
ATOM 74 H ASP A 4 5.904 -0.832 0.221 1.00 0.00 H
ATOM 75 HA ASP A 4 3.658 -2.348 0.791 1.00 0.00 H
ATOM 76 HB2 ASP A 4 5.749 -1.043 2.505 1.00 0.00 H
ATOM 77 HB3 ASP A 4 4.364 -1.810 3.273 1.00 0.00 H
ATOM 78 N LYS A 5 3.280 0.808 1.262 1.00 0.00 N
ATOM 79 CA LYS A 5 2.335 1.875 1.553 1.00 0.00 C
ATOM 80 C LYS A 5 1.351 2.027 0.393 1.00 0.00 C
ATOM 81 O LYS A 5 0.201 2.419 0.589 1.00 0.00 O
ATOM 82 CB LYS A 5 3.096 3.187 1.777 1.00 0.00 C
ATOM 83 CG LYS A 5 2.116 4.364 1.770 1.00 0.00 C
ATOM 84 CD LYS A 5 2.800 5.601 2.358 1.00 0.00 C
ATOM 85 CE LYS A 5 1.962 6.841 2.051 1.00 0.00 C