HEADER TOXIN 13-AUG-08 SMS20033 TITLE SOLUTION STRUCTURE OF DICARBA-IMI: AN ALPHA-CONOTOXIN WITH A NON- TITLE 2 REDUCIBLE CYSTINE ANALOGUE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DICARBA-IMI, ALPHA-CTX IMI; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: (2,8)-DICARBA-(3,12)-CYSTINO A-IMI SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS; SOURCE 4 ORGANISM_COMMON: IMPERIAL CONE; SOURCE 5 ORGANISM_TAXID: 35631; SOURCE 6 OTHER_DETAILS: FMOC SOLID-PHASE PEPTIDE SYNTHESIS KEYWDS CONOTOXIN, DICARBA BRIDGE, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR C.A.MACRAILD,J.ILLESINGHE,B.VAN LIEROP,A.J.ROBINSON,R.S.NORTON JRNL AUTH C.A.MACRAILD,J.ILLESINGHE,B.J.VAN LIEROP,A.L.TOWNSEND, JRNL AUTH 2 M.CHEBIB,B.G.LIVETT,A.J.ROBINSON,R.S.NORTON JRNL TITL STRUCTURE AND ACTIVITY OF (2,8)-DICARBA-(3,12)-CYSTINO JRNL TITL 2 ALPHA-IMI, AN ALPHA-CONOTOXIN CONTAINING A NONREDUCIBLE JRNL TITL 3 CYSTINE ANALOGUE JRNL REF J.MED.CHEM. V. 52 755 2009 JRNL REFN ISSN 0022-2623 JRNL PMID 19125616 JRNL DOI 10.1021/JM8011504 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-SEP-10. REMARK 100 THE BMRB ID CODE IS SMS20033. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 5.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 10MM DICARBA-IMI; 95% H2O/5% REMARK 210 D2O; 10MM DICARBA-IMI; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY; REMARK 210 2D DQF-COSY; 2D 1H-1H ECOSY; 2D REMARK 210 1H-15N HSQC; 2D 1H-13C HSQC; 2D REMARK 210 1H-13C HMQC-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA, X-PLOR_NIH, XEASY, TOPSPIN REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 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 400 REMARK 400 COMPOUND REMARK 400 THIS PROTEIN IS A DICARBA ANALOGUE OF THE ALPHA-CONOTOXIN ALPHA-IMI. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O 2AG A 2 H ASP A 5 1.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 CYS A 3 -15.65 -38.22 REMARK 500 1 2AG A 8 48.56 -142.34 REMARK 500 1 ALA A 9 35.40 -84.84 REMARK 500 1 ARG A 11 19.42 42.24 REMARK 500 2 2AG A 2 4.24 -68.89 REMARK 500 2 CYS A 3 -18.61 -36.73 REMARK 500 2 2AG A 8 48.36 -142.40 REMARK 500 2 ARG A 11 18.56 42.30 REMARK 500 3 CYS A 3 -16.73 -37.70 REMARK 500 3 2AG A 8 48.80 -142.38 REMARK 500 3 ALA A 9 34.53 -83.76 REMARK 500 3 ARG A 11 18.80 43.24 REMARK 500 4 CYS A 3 -16.78 -39.23 REMARK 500 4 ARG A 11 20.20 39.30 REMARK 500 5 CYS A 3 -16.55 -38.05 REMARK 500 5 ALA A 9 36.09 -83.64 REMARK 500 5 ARG A 11 16.38 44.52 REMARK 500 6 CYS A 3 -17.86 -37.21 REMARK 500 6 ARG A 11 21.15 38.62 REMARK 500 7 CYS A 3 -10.56 -45.08 REMARK 500 7 ALA A 9 39.65 -86.75 REMARK 500 7 ARG A 11 19.82 40.24 REMARK 500 8 2AG A 2 7.31 -65.70 REMARK 500 8 CYS A 3 -18.28 -35.94 REMARK 500 8 2AG A 8 48.97 -141.68 REMARK 500 8 ARG A 11 20.56 39.89 REMARK 500 9 CYS A 3 -12.31 -44.34 REMARK 500 9 ARG A 11 19.66 38.23 REMARK 500 10 CYS A 3 -11.41 -44.61 REMARK 500 10 ALA A 9 35.44 -85.77 REMARK 500 10 ARG A 11 19.04 38.82 REMARK 500 11 CYS A 3 -8.45 -46.86 REMARK 500 11 ALA A 9 39.41 -87.88 REMARK 500 11 ARG A 11 20.41 39.18 REMARK 500 12 CYS A 3 -8.23 -47.08 REMARK 500 12 ALA A 9 38.37 -88.28 REMARK 500 12 ARG A 11 20.58 38.28 REMARK 500 13 CYS A 3 -8.24 -46.21 REMARK 500 13 ALA A 9 40.20 -87.56 REMARK 500 13 ARG A 11 19.85 39.04 REMARK 500 14 2AG A 2 5.61 45.09 REMARK 500 14 CYS A 3 -10.39 -44.60 REMARK 500 14 2AG A 8 47.17 -144.51 REMARK 500 14 ARG A 11 18.70 41.61 REMARK 500 15 CYS A 3 -6.65 -47.47 REMARK 500 15 ARG A 11 19.87 37.22 REMARK 500 16 CYS A 3 -8.05 -48.30 REMARK 500 16 ALA A 9 34.46 -87.87 REMARK 500 16 ARG A 11 20.42 37.69 REMARK 500 17 CYS A 3 -7.15 -48.79 REMARK 500 REMARK 500 THIS ENTRY HAS 61 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20033 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 2AG WAS INCORPORATED IN PLACE OF CYS AT POSITIONS 2 AND 8 OF THE REMARK 999 ALPHA-IMI SEQUENCE TO FACILITATE THE CYCLIZATION REACTION. DBREF A 1 12 UNP P50983 CA1_CONIM 5 16 SEQADV 2AG A 2 UNP P50983 CYS 6 SEE REMARK 999 SEQADV 2AG A 8 UNP P50983 CYS 12 SEE REMARK 999 SEQADV NH2 A 13 UNP P50983 AMIDATION SEQRES 1 A 13 GLY 2AG CYS SER ASP PRO ARG 2AG ALA TRP ARG CYS NH2 MODRES 2AG A 2 ALA (2S)-2-AMINOPENT-4-ENOIC ACID MODRES 2AG A 8 ALA (2S)-2-AMINOPENT-4-ENOIC ACID HET 2AG A 2 11 HET 2AG A 8 11 HET NH2 A 13 3 HETNAM 2AG (2S)-2-AMINOPENT-4-ENOIC ACID HETNAM NH2 AMINO GROUP HETSYN 2AG L-ALLYLGLYCINE FORMUL 1 2AG 2(C5 H9 N O2) FORMUL 1 NH2 H2 N HELIX 1 1 GLY A 1 ALA A 9 5 9 SSBOND 1 CYS A 3 CYS A 12 1555 1555 2.02 LINK C1E 2AG A 2 C1E 2AG A 8 1555 1555 1.35 LINK C GLY A 1 N 2AG A 2 1555 1555 1.33 LINK C 2AG A 2 N CYS A 3 1555 1555 1.33 LINK C ARG A 7 N 2AG A 8 1555 1555 1.33 LINK C 2AG A 8 N ALA A 9 1555 1555 1.33 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 GLY A 1 -4.103 5.123 0.325 1.00 1.00 N ATOM 2 CA GLY A 1 -3.269 6.249 0.834 1.00 1.00 C ATOM 3 C GLY A 1 -1.814 6.029 0.433 1.00 1.00 C ATOM 4 O GLY A 1 -1.332 6.619 -0.533 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.953 5.027 0.915 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.553 4.241 0.362 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.385 5.315 -0.657 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.625 7.178 0.411 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.340 6.292 1.909 1.00 1.00 H HETATM 10 C1E 2AG A 2 0.060 3.181 2.631 1.00 1.00 C HETATM 11 CB 2AG A 2 0.935 4.241 2.114 1.00 1.00 C HETATM 12 CA 2AG A 2 0.278 4.887 0.894 1.00 1.00 C HETATM 13 C 2AG A 2 0.397 3.958 -0.310 1.00 1.00 C HETATM 14 O 2AG A 2 1.493 3.548 -0.682 1.00 1.00 O HETATM 15 N 2AG A 2 -1.122 5.177 1.181 1.00 1.00 N HETATM 16 H1E 2AG A 2 -0.840 3.453 3.155 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.894 3.840 1.836 1.00 1.00 H HETATM 18 HB3 2AG A 2 1.076 4.992 2.878 1.00 1.00 H HETATM 19 HA 2AG A 2 0.789 5.812 0.673 1.00 1.00 H HETATM 20 H 2AG A 2 -1.559 4.737 1.939 1.00 1.00 H ATOM 21 N CYS A 3 -0.744 3.643 -0.918 1.00 1.00 N ATOM 22 CA CYS A 3 -0.784 2.770 -2.093 1.00 1.00 C ATOM 23 C CYS A 3 0.398 3.031 -3.028 1.00 1.00 C ATOM 24 O CYS A 3 0.698 2.214 -3.900 1.00 1.00 O ATOM 25 CB CYS A 3 -2.108 2.996 -2.831 1.00 1.00 C ATOM 26 SG CYS A 3 -3.035 1.451 -2.896 1.00 1.00 S ATOM 27 H CYS A 3 -1.583 4.012 -0.571 1.00 1.00 H ATOM 28 HA CYS A 3 -0.746 1.738 -1.769 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.688 3.732 -2.296 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.919 3.345 -3.835 1.00 1.00 H ATOM 31 N SER A 4 1.072 4.161 -2.843 1.00 1.00 N ATOM 32 CA SER A 4 2.222 4.502 -3.676 1.00 1.00 C ATOM 33 C SER A 4 3.515 4.000 -3.033 1.00 1.00 C ATOM 34 O SER A 4 4.612 4.376 -3.448 1.00 1.00 O ATOM 35 CB SER A 4 2.289 6.022 -3.868 1.00 1.00 C ATOM 36 OG SER A 4 1.565 6.658 -2.824 1.00 1.00 O ATOM 37 H SER A 4 0.795 4.775 -2.130 1.00 1.00 H ATOM 38 HA SER A 4 2.108 4.033 -4.643 1.00 1.00 H ATOM 39 HB2 SER A 4 3.315 6.351 -3.839 1.00 1.00 H ATOM 40 HB3 SER A 4 1.860 6.283 -4.828 1.00 1.00 H ATOM 41 HG SER A 4 0.635 6.657 -3.065 1.00 1.00 H ATOM 42 N ASP A 5 3.376 3.152 -2.015 1.00 1.00 N ATOM 43 CA ASP A 5 4.534 2.602 -1.313 1.00 1.00 C ATOM 44 C ASP A 5 4.472 1.072 -1.291 1.00 1.00 C ATOM 45 O ASP A 5 3.445 0.496 -0.935 1.00 1.00 O ATOM 46 CB ASP A 5 4.556 3.135 0.121 1.00 1.00 C ATOM 47 CG ASP A 5 5.830 2.683 0.825 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.818 3.393 0.732 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.798 1.635 1.447 1.00 1.00 O ATOM 50 H ASP A 5 2.475 2.893 -1.727 1.00 1.00 H ATOM 51 HA ASP A 5 5.433 2.918 -1.810 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.520 4.214 0.100 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.699 2.758 0.655 1.00 1.00 H ATOM 54 N PRO A 6 5.544 0.406 -1.657 1.00 1.00 N ATOM 55 CA PRO A 6 5.570 -1.086 -1.662 1.00 1.00 C ATOM 56 C PRO A 6 5.167 -1.682 -0.314 1.00 1.00 C ATOM 57 O PRO A 6 4.646 -2.795 -0.249 1.00 1.00 O ATOM 58 CB PRO A 6 7.026 -1.414 -1.991 1.00 1.00 C ATOM 59 CG PRO A 6 7.494 -0.280 -2.838 1.00 1.00 C ATOM 60 CD PRO A 6 6.695 0.955 -2.405 1.00 1.00 C ATOM 61 HA PRO A 6 4.933 -1.467 -2.442 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.611 -1.476 -1.081 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.088 -2.340 -2.542 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.553 -0.115 -2.682 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.302 -0.489 -3.880 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.297 1.587 -1.765 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.352 1.503 -3.268 1.00 1.00 H ATOM 68 N ARG A 7 5.411 -0.934 0.758 1.00 1.00 N ATOM 69 CA ARG A 7 5.065 -1.405 2.100 1.00 1.00 C ATOM 70 C ARG A 7 3.641 -0.984 2.450 1.00 1.00 C ATOM 71 O ARG A 7 3.214 -1.074 3.602 1.00 1.00 O ATOM 72 CB ARG A 7 6.051 -0.829 3.128 1.00 1.00 C ATOM 73 CG ARG A 7 6.884 -1.960 3.743 1.00 1.00 C ATOM 74 CD ARG A 7 7.822 -1.391 4.808 1.00 1.00 C ATOM 75 NE ARG A 7 8.940 -2.300 5.032 1.00 1.00 N ATOM 76 CZ ARG A 7 8.782 -3.430 5.714 1.00 1.00 C ATOM 77 NH1 ARG A 7 7.611 -3.742 6.197 1.00 1.00 N ATOM 78 NH2 ARG A 7 9.798 -4.228 5.900 1.00 1.00 N ATOM 79 H ARG A 7 5.828 -0.051 0.647 1.00 1.00 H ATOM 80 HA ARG A 7 5.123 -2.484 2.120 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.709 -0.128 2.636 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.507 -0.321 3.910 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.223 -2.686 4.195 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.468 -2.437 2.970 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.203 -0.435 4.479 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.276 -1.258 5.731 1.00 1.00 H ATOM 87 HE ARG A 7 9.824 -2.074 4.674 1.00 1.00 H ATOM 88 HH11 ARG A 7 6.833 -3.131 6.055 1.00 1.00 H ATOM 89 HH12 ARG A 7 7.492 -4.593 6.710 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.696 -3.989 5.530 1.00 1.00 H ATOM 91 HH22 ARG A 7 9.679 -5.079 6.412 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.351 1.875 2.461 1.00 1.00 C HETATM 93 CB 2AG A 8 1.550 1.452 1.755 1.00 1.00 C HETATM 94 CA 2AG A 8 1.553 -0.071 1.606 1.00 1.00 C HETATM 95 C 2AG A 8 0.735 -0.478 0.381 1.00 1.00 C HETATM 96 O 2AG A 8 0.026 0.337 -0.202 1.00 1.00 O HETATM 97 N 2AG A 8 2.920 -0.518 1.440 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.312 1.128 2.855 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.421 1.756 2.314 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.573 1.904 0.776 1.00 1.00 H HETATM 101 HA 2AG A 8 1.129 -0.523 2.491 1.00 1.00 H HETATM 102 H 2AG A 8 3.320 -0.468 0.559 1.00 1.00 H ATOM 103 N ALA A 9 0.861 -1.743 -0.008 1.00 1.00 N ATOM 104 CA ALA A 9 0.146 -2.257 -1.177 1.00 1.00 C ATOM 105 C ALA A 9 -1.269 -2.701 -0.817 1.00 1.00 C ATOM 106 O ALA A 9 -1.787 -3.668 -1.374 1.00 1.00 O ATOM 107 CB ALA A 9 0.913 -3.439 -1.775 1.00 1.00 C ATOM 108 H ALA A 9 1.453 -2.339 0.494 1.00 1.00 H ATOM 109 HA ALA A 9 0.088 -1.474 -1.920 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.481 -3.701 -2.729 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.850 -4.284 -1.106 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.949 -3.163 -1.913 1.00 1.00 H ATOM 113 N TRP A 10 -1.890 -1.982 0.108 1.00 1.00 N ATOM 114 CA TRP A 10 -3.245 -2.291 0.535 1.00 1.00 C ATOM 115 C TRP A 10 -4.259 -1.543 -0.323 1.00 1.00 C ATOM 116 O TRP A 10 -3.934 -0.524 -0.932 1.00 1.00 O ATOM 117 CB TRP A 10 -3.412 -1.891 1.993 1.00 1.00 C ATOM 118 CG TRP A 10 -3.418 -0.403 2.106 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.350 0.401 1.906 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.527 0.468 2.435 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.731 1.709 2.119 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.065 1.802 2.445 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.874 0.228 2.730 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -4.907 2.865 2.740 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.736 1.297 3.027 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.251 2.616 3.035 1.00 1.00 C ATOM 127 H TRP A 10 -1.430 -1.225 0.509 1.00 1.00 H ATOM 128 HA TRP A 10 -3.420 -3.351 0.444 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.341 -2.281 2.365 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.595 -2.293 2.572 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.365 0.077 1.636 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.141 2.489 2.047 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.249 -0.788 2.715 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.520 3.871 2.745 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.774 1.105 3.256 1.00 1.00 H ATOM 136 HH2 TRP A 10 -6.916 3.435 3.264 1.00 1.00 H ATOM 137 N ARG A 11 -5.487 -2.056 -0.376 1.00 1.00 N ATOM 138 CA ARG A 11 -6.532 -1.424 -1.178 1.00 1.00 C ATOM 139 C ARG A 11 -5.955 -0.987 -2.518 1.00 1.00 C ATOM 140 O ARG A 11 -6.511 -0.133 -3.208 1.00 1.00 O ATOM 141 CB ARG A 11 -7.108 -0.210 -0.435 1.00 1.00 C ATOM 142 CG ARG A 11 -8.282 -0.649 0.450 1.00 1.00 C ATOM 143 CD ARG A 11 -9.581 -0.607 -0.358 1.00 1.00 C ATOM 144 NE ARG A 11 -10.035 0.770 -0.507 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.076 1.072 -1.277 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.712 0.128 -1.914 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.463 2.313 -1.394 1.00 1.00 N ATOM 148 H ARG A 11 -5.690 -2.873 0.125 1.00 1.00 H ATOM 149 HA ARG A 11 -7.317 -2.140 -1.355 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.337 0.229 0.181 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.453 0.522 -1.151 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.112 -1.656 0.806 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.366 0.019 1.294 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.410 -1.034 -1.335 1.00 1.00 H ATOM 155 HD3 ARG A 11 -10.339 -1.183 0.155 1.00 1.00 H ATOM 156 HE ARG A 11 -9.564 1.487 -0.033 1.00 1.00 H ATOM 157 HH11 ARG A 11 -11.416 -0.824 -1.825 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.496 0.355 -2.493 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.975 3.037 -0.905 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.245 2.541 -1.973 1.00 1.00 H ATOM 161 N CYS A 12 -4.826 -1.586 -2.860 1.00 1.00 N ATOM 162 CA CYS A 12 -4.135 -1.277 -4.104 1.00 1.00 C ATOM 163 C CYS A 12 -4.552 -2.250 -5.205 1.00 1.00 C ATOM 164 O CYS A 12 -4.744 -3.439 -4.949 1.00 1.00 O ATOM 165 CB CYS A 12 -2.622 -1.360 -3.868 1.00 1.00 C ATOM 166 SG CYS A 12 -1.889 0.276 -4.066 1.00 1.00 S ATOM 167 H CYS A 12 -4.442 -2.250 -2.251 1.00 1.00 H ATOM 168 HA CYS A 12 -4.388 -0.271 -4.410 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.437 -1.715 -2.867 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.176 -2.038 -4.572 1.00 1.00 H HETATM 171 N NH2 A 13 -4.704 -1.812 -6.424 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.551 -0.866 -6.628 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.972 -2.430 -7.138 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 2 ATOM 1 N GLY A 1 -4.101 6.961 -0.184 1.00 1.00 N ATOM 2 CA GLY A 1 -3.458 5.974 0.729 1.00 1.00 C ATOM 3 C GLY A 1 -1.998 5.787 0.330 1.00 1.00 C ATOM 4 O GLY A 1 -1.559 6.288 -0.705 1.00 1.00 O ATOM 5 H1 GLY A 1 -5.100 6.709 -0.319 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.613 6.951 -1.104 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.040 7.912 0.232 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.511 6.339 1.745 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.971 5.028 0.658 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.026 3.110 2.622 1.00 1.00 C HETATM 11 CB 2AG A 2 0.827 4.188 2.103 1.00 1.00 C HETATM 12 CA 2AG A 2 0.159 4.817 0.879 1.00 1.00 C HETATM 13 C 2AG A 2 0.313 3.897 -0.330 1.00 1.00 C HETATM 14 O 2AG A 2 1.421 3.511 -0.688 1.00 1.00 O HETATM 15 N 2AG A 2 -1.251 5.063 1.157 1.00 1.00 N HETATM 16 H1E 2AG A 2 -0.935 3.364 3.143 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.796 3.806 1.828 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.950 4.945 2.865 1.00 1.00 H HETATM 19 HA 2AG A 2 0.642 5.758 0.665 1.00 1.00 H HETATM 20 H 2AG A 2 -1.656 4.688 1.968 1.00 1.00 H ATOM 21 N CYS A 3 -0.814 3.565 -0.952 1.00 1.00 N ATOM 22 CA CYS A 3 -0.829 2.698 -2.131 1.00 1.00 C ATOM 23 C CYS A 3 0.378 2.957 -3.037 1.00 1.00 C ATOM 24 O CYS A 3 0.722 2.123 -3.874 1.00 1.00 O ATOM 25 CB CYS A 3 -2.129 2.949 -2.905 1.00 1.00 C ATOM 26 SG CYS A 3 -3.076 1.419 -3.007 1.00 1.00 S ATOM 27 H CYS A 3 -1.663 3.917 -0.612 1.00 1.00 H ATOM 28 HA CYS A 3 -0.811 1.662 -1.816 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.713 3.691 -2.383 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.907 3.298 -3.902 1.00 1.00 H ATOM 31 N SER A 4 1.016 4.112 -2.870 1.00 1.00 N ATOM 32 CA SER A 4 2.179 4.458 -3.685 1.00 1.00 C ATOM 33 C SER A 4 3.470 3.952 -3.041 1.00 1.00 C ATOM 34 O SER A 4 4.568 4.288 -3.487 1.00 1.00 O ATOM 35 CB SER A 4 2.254 5.976 -3.862 1.00 1.00 C ATOM 36 OG SER A 4 2.930 6.273 -5.076 1.00 1.00 O ATOM 37 H SER A 4 0.701 4.742 -2.190 1.00 1.00 H ATOM 38 HA SER A 4 2.073 4.002 -4.657 1.00 1.00 H ATOM 39 HB2 SER A 4 1.258 6.384 -3.903 1.00 1.00 H ATOM 40 HB3 SER A 4 2.785 6.411 -3.025 1.00 1.00 H ATOM 41 HG SER A 4 2.559 7.085 -5.430 1.00 1.00 H ATOM 42 N ASP A 5 3.331 3.147 -1.991 1.00 1.00 N ATOM 43 CA ASP A 5 4.490 2.603 -1.285 1.00 1.00 C ATOM 44 C ASP A 5 4.444 1.074 -1.286 1.00 1.00 C ATOM 45 O ASP A 5 3.398 0.482 -1.019 1.00 1.00 O ATOM 46 CB ASP A 5 4.490 3.121 0.155 1.00 1.00 C ATOM 47 CG ASP A 5 5.692 2.577 0.915 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.748 3.182 0.828 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.539 1.564 1.576 1.00 1.00 O ATOM 50 H ASP A 5 2.432 2.919 -1.678 1.00 1.00 H ATOM 51 HA ASP A 5 5.391 2.932 -1.775 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.530 4.199 0.143 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.584 2.806 0.648 1.00 1.00 H ATOM 54 N PRO A 6 5.545 0.424 -1.582 1.00 1.00 N ATOM 55 CA PRO A 6 5.580 -1.071 -1.611 1.00 1.00 C ATOM 56 C PRO A 6 5.196 -1.676 -0.263 1.00 1.00 C ATOM 57 O PRO A 6 4.710 -2.805 -0.194 1.00 1.00 O ATOM 58 CB PRO A 6 7.030 -1.411 -1.978 1.00 1.00 C ATOM 59 CG PRO A 6 7.826 -0.210 -1.597 1.00 1.00 C ATOM 60 CD PRO A 6 6.896 0.992 -1.758 1.00 1.00 C ATOM 61 HA PRO A 6 4.920 -1.440 -2.380 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.365 -2.279 -1.425 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.116 -1.588 -3.040 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.154 -0.295 -0.569 1.00 1.00 H ATOM 65 HG3 PRO A 6 8.677 -0.101 -2.251 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.106 1.731 -0.998 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.995 1.420 -2.744 1.00 1.00 H ATOM 68 N ARG A 7 5.408 -0.914 0.805 1.00 1.00 N ATOM 69 CA ARG A 7 5.067 -1.385 2.146 1.00 1.00 C ATOM 70 C ARG A 7 3.630 -0.993 2.477 1.00 1.00 C ATOM 71 O ARG A 7 3.184 -1.106 3.618 1.00 1.00 O ATOM 72 CB ARG A 7 6.034 -0.778 3.177 1.00 1.00 C ATOM 73 CG ARG A 7 6.853 -1.888 3.840 1.00 1.00 C ATOM 74 CD ARG A 7 7.820 -1.270 4.848 1.00 1.00 C ATOM 75 NE ARG A 7 7.082 -0.607 5.917 1.00 1.00 N ATOM 76 CZ ARG A 7 7.716 -0.022 6.929 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.020 -0.032 6.976 1.00 1.00 N ATOM 78 NH2 ARG A 7 7.033 0.563 7.874 1.00 1.00 N ATOM 79 H ARG A 7 5.789 -0.016 0.689 1.00 1.00 H ATOM 80 HA ARG A 7 5.151 -2.462 2.173 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.703 -0.093 2.680 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.477 -0.248 3.935 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.187 -2.571 4.350 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.411 -2.423 3.088 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.436 -2.045 5.271 1.00 1.00 H ATOM 86 HD3 ARG A 7 8.448 -0.549 4.343 1.00 1.00 H ATOM 87 HE ARG A 7 6.102 -0.594 5.889 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.544 -0.479 6.251 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.496 0.409 7.737 1.00 1.00 H ATOM 90 HH21 ARG A 7 6.034 0.570 7.838 1.00 1.00 H ATOM 91 HH22 ARG A 7 7.510 1.003 8.636 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.296 1.811 2.460 1.00 1.00 C HETATM 93 CB 2AG A 8 1.508 1.416 1.759 1.00 1.00 C HETATM 94 CA 2AG A 8 1.541 -0.106 1.598 1.00 1.00 C HETATM 95 C 2AG A 8 0.759 -0.512 0.351 1.00 1.00 C HETATM 96 O 2AG A 8 0.045 0.296 -0.238 1.00 1.00 O HETATM 97 N 2AG A 8 2.920 -0.527 1.456 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.350 1.048 2.853 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.370 1.733 2.326 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.529 1.874 0.784 1.00 1.00 H HETATM 101 HA 2AG A 8 1.106 -0.574 2.469 1.00 1.00 H HETATM 102 H 2AG A 8 3.336 -0.458 0.582 1.00 1.00 H ATOM 103 N ALA A 9 0.920 -1.767 -0.052 1.00 1.00 N ATOM 104 CA ALA A 9 0.246 -2.278 -1.245 1.00 1.00 C ATOM 105 C ALA A 9 -1.193 -2.684 -0.940 1.00 1.00 C ATOM 106 O ALA A 9 -1.761 -3.543 -1.614 1.00 1.00 O ATOM 107 CB ALA A 9 1.010 -3.481 -1.801 1.00 1.00 C ATOM 108 H ALA A 9 1.515 -2.357 0.454 1.00 1.00 H ATOM 109 HA ALA A 9 0.234 -1.500 -1.995 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.482 -3.879 -2.654 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.087 -4.241 -1.037 1.00 1.00 H ATOM 112 HB3 ALA A 9 2.000 -3.171 -2.101 1.00 1.00 H ATOM 113 N TRP A 10 -1.775 -2.056 0.070 1.00 1.00 N ATOM 114 CA TRP A 10 -3.147 -2.343 0.457 1.00 1.00 C ATOM 115 C TRP A 10 -4.118 -1.499 -0.361 1.00 1.00 C ATOM 116 O TRP A 10 -3.715 -0.533 -1.009 1.00 1.00 O ATOM 117 CB TRP A 10 -3.324 -2.027 1.933 1.00 1.00 C ATOM 118 CG TRP A 10 -3.398 -0.549 2.117 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.387 0.317 1.888 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.528 0.249 2.544 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.816 1.594 2.183 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.131 1.604 2.590 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.842 -0.073 2.904 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.006 2.607 2.981 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.737 0.936 3.298 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.318 2.277 3.340 1.00 1.00 C ATOM 127 H TRP A 10 -1.275 -1.382 0.566 1.00 1.00 H ATOM 128 HA TRP A 10 -3.359 -3.387 0.295 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.233 -2.479 2.288 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.486 -2.418 2.489 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.406 0.055 1.543 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.271 2.405 2.115 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.167 -1.104 2.863 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.668 3.631 3.011 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.748 0.681 3.574 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.006 3.051 3.643 1.00 1.00 H ATOM 137 N ARG A 11 -5.397 -1.865 -0.327 1.00 1.00 N ATOM 138 CA ARG A 11 -6.408 -1.124 -1.074 1.00 1.00 C ATOM 139 C ARG A 11 -5.873 -0.774 -2.456 1.00 1.00 C ATOM 140 O ARG A 11 -6.376 0.121 -3.136 1.00 1.00 O ATOM 141 CB ARG A 11 -6.786 0.151 -0.312 1.00 1.00 C ATOM 142 CG ARG A 11 -7.758 0.997 -1.147 1.00 1.00 C ATOM 143 CD ARG A 11 -8.733 1.730 -0.221 1.00 1.00 C ATOM 144 NE ARG A 11 -9.682 2.510 -1.006 1.00 1.00 N ATOM 145 CZ ARG A 11 -9.314 3.634 -1.611 1.00 1.00 C ATOM 146 NH1 ARG A 11 -8.084 4.059 -1.505 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.181 4.313 -2.310 1.00 1.00 N ATOM 148 H ARG A 11 -5.664 -2.642 0.208 1.00 1.00 H ATOM 149 HA ARG A 11 -7.282 -1.743 -1.186 1.00 1.00 H ATOM 150 HB2 ARG A 11 -7.253 -0.120 0.624 1.00 1.00 H ATOM 151 HB3 ARG A 11 -5.894 0.726 -0.112 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.200 1.721 -1.724 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.314 0.357 -1.816 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.272 1.008 0.373 1.00 1.00 H ATOM 155 HD3 ARG A 11 -8.177 2.388 0.432 1.00 1.00 H ATOM 156 HE ARG A 11 -10.609 2.200 -1.088 1.00 1.00 H ATOM 157 HH11 ARG A 11 -7.420 3.540 -0.968 1.00 1.00 H ATOM 158 HH12 ARG A 11 -7.807 4.904 -1.961 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.124 3.987 -2.391 1.00 1.00 H ATOM 160 HH22 ARG A 11 -9.903 5.158 -2.767 1.00 1.00 H ATOM 161 N CYS A 12 -4.836 -1.494 -2.850 1.00 1.00 N ATOM 162 CA CYS A 12 -4.193 -1.281 -4.138 1.00 1.00 C ATOM 163 C CYS A 12 -4.680 -2.309 -5.156 1.00 1.00 C ATOM 164 O CYS A 12 -4.423 -3.504 -5.010 1.00 1.00 O ATOM 165 CB CYS A 12 -2.676 -1.395 -3.955 1.00 1.00 C ATOM 166 SG CYS A 12 -1.922 0.231 -4.153 1.00 1.00 S ATOM 167 H CYS A 12 -4.486 -2.184 -2.250 1.00 1.00 H ATOM 168 HA CYS A 12 -4.430 -0.289 -4.496 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.463 -1.767 -2.966 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.268 -2.070 -4.681 1.00 1.00 H HETATM 171 N NH2 A 13 -5.373 -1.911 -6.188 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.577 -0.960 -6.303 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.690 -2.564 -6.847 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 3 ATOM 1 N GLY A 1 -4.066 5.003 0.597 1.00 1.00 N ATOM 2 CA GLY A 1 -3.309 6.235 0.958 1.00 1.00 C ATOM 3 C GLY A 1 -1.846 6.069 0.563 1.00 1.00 C ATOM 4 O GLY A 1 -1.341 6.791 -0.296 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.057 4.881 -0.436 1.00 1.00 H ATOM 6 H2 GLY A 1 -5.049 5.090 0.928 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.621 4.178 1.044 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.732 7.082 0.436 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.375 6.398 2.023 1.00 1.00 H HETATM 10 C1E 2AG A 2 0.059 3.165 2.653 1.00 1.00 C HETATM 11 CB 2AG A 2 0.916 4.232 2.118 1.00 1.00 C HETATM 12 CA 2AG A 2 0.235 4.862 0.901 1.00 1.00 C HETATM 13 C 2AG A 2 0.372 3.937 -0.304 1.00 1.00 C HETATM 14 O 2AG A 2 1.474 3.544 -0.673 1.00 1.00 O HETATM 15 N 2AG A 2 -1.172 5.113 1.195 1.00 1.00 N HETATM 16 H1E 2AG A 2 -0.838 3.431 3.187 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.876 3.838 1.830 1.00 1.00 H HETATM 18 HB3 2AG A 2 1.057 4.990 2.875 1.00 1.00 H HETATM 19 HA 2AG A 2 0.721 5.800 0.678 1.00 1.00 H HETATM 20 H 2AG A 2 -1.628 4.569 1.871 1.00 1.00 H ATOM 21 N CYS A 3 -0.763 3.606 -0.916 1.00 1.00 N ATOM 22 CA CYS A 3 -0.786 2.735 -2.092 1.00 1.00 C ATOM 23 C CYS A 3 0.404 3.008 -3.017 1.00 1.00 C ATOM 24 O CYS A 3 0.727 2.189 -3.876 1.00 1.00 O ATOM 25 CB CYS A 3 -2.105 2.955 -2.843 1.00 1.00 C ATOM 26 SG CYS A 3 -3.024 1.405 -2.921 1.00 1.00 S ATOM 27 H CYS A 3 -1.608 3.962 -0.571 1.00 1.00 H ATOM 28 HA CYS A 3 -0.743 1.702 -1.770 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.693 3.687 -2.313 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.907 3.306 -3.845 1.00 1.00 H ATOM 31 N SER A 4 1.052 4.155 -2.836 1.00 1.00 N ATOM 32 CA SER A 4 2.204 4.510 -3.663 1.00 1.00 C ATOM 33 C SER A 4 3.499 3.997 -3.035 1.00 1.00 C ATOM 34 O SER A 4 4.593 4.351 -3.473 1.00 1.00 O ATOM 35 CB SER A 4 2.278 6.028 -3.826 1.00 1.00 C ATOM 36 OG SER A 4 3.496 6.371 -4.475 1.00 1.00 O ATOM 37 H SER A 4 0.755 4.771 -2.135 1.00 1.00 H ATOM 38 HA SER A 4 2.088 4.061 -4.639 1.00 1.00 H ATOM 39 HB2 SER A 4 1.450 6.369 -4.423 1.00 1.00 H ATOM 40 HB3 SER A 4 2.234 6.496 -2.851 1.00 1.00 H ATOM 41 HG SER A 4 4.033 6.868 -3.854 1.00 1.00 H ATOM 42 N ASP A 5 3.365 3.166 -2.003 1.00 1.00 N ATOM 43 CA ASP A 5 4.525 2.607 -1.313 1.00 1.00 C ATOM 44 C ASP A 5 4.456 1.078 -1.297 1.00 1.00 C ATOM 45 O ASP A 5 3.430 0.505 -0.931 1.00 1.00 O ATOM 46 CB ASP A 5 4.560 3.130 0.123 1.00 1.00 C ATOM 47 CG ASP A 5 5.801 2.609 0.840 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.882 3.079 0.528 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.651 1.748 1.691 1.00 1.00 O ATOM 50 H ASP A 5 2.466 2.924 -1.696 1.00 1.00 H ATOM 51 HA ASP A 5 5.422 2.920 -1.815 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.579 4.208 0.108 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.678 2.796 0.647 1.00 1.00 H ATOM 54 N PRO A 6 5.517 0.406 -1.679 1.00 1.00 N ATOM 55 CA PRO A 6 5.534 -1.086 -1.688 1.00 1.00 C ATOM 56 C PRO A 6 5.147 -1.679 -0.335 1.00 1.00 C ATOM 57 O PRO A 6 4.618 -2.788 -0.261 1.00 1.00 O ATOM 58 CB PRO A 6 6.980 -1.424 -2.043 1.00 1.00 C ATOM 59 CG PRO A 6 7.443 -0.291 -2.896 1.00 1.00 C ATOM 60 CD PRO A 6 6.662 0.948 -2.443 1.00 1.00 C ATOM 61 HA PRO A 6 4.879 -1.460 -2.458 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.580 -1.492 -1.144 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.027 -2.349 -2.598 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.505 -0.136 -2.759 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.227 -0.496 -3.933 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.280 1.572 -1.811 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.309 1.504 -3.298 1.00 1.00 H ATOM 68 N ARG A 7 5.414 -0.935 0.734 1.00 1.00 N ATOM 69 CA ARG A 7 5.087 -1.402 2.082 1.00 1.00 C ATOM 70 C ARG A 7 3.665 -0.984 2.446 1.00 1.00 C ATOM 71 O ARG A 7 3.250 -1.076 3.602 1.00 1.00 O ATOM 72 CB ARG A 7 6.084 -0.819 3.094 1.00 1.00 C ATOM 73 CG ARG A 7 6.915 -1.950 3.715 1.00 1.00 C ATOM 74 CD ARG A 7 7.924 -1.372 4.717 1.00 1.00 C ATOM 75 NE ARG A 7 7.792 -2.042 6.006 1.00 1.00 N ATOM 76 CZ ARG A 7 8.148 -3.313 6.159 1.00 1.00 C ATOM 77 NH1 ARG A 7 8.628 -3.983 5.148 1.00 1.00 N ATOM 78 NH2 ARG A 7 8.017 -3.891 7.322 1.00 1.00 N ATOM 79 H ARG A 7 5.835 -0.055 0.616 1.00 1.00 H ATOM 80 HA ARG A 7 5.148 -2.480 2.104 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.742 -0.127 2.588 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.549 -0.300 3.875 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.256 -2.637 4.226 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.444 -2.476 2.934 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.926 -1.519 4.343 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.743 -0.313 4.843 1.00 1.00 H ATOM 87 HE ARG A 7 7.432 -1.546 6.771 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.730 -3.540 4.258 1.00 1.00 H ATOM 89 HH12 ARG A 7 8.897 -4.940 5.264 1.00 1.00 H ATOM 90 HH21 ARG A 7 7.647 -3.378 8.097 1.00 1.00 H ATOM 91 HH22 ARG A 7 8.285 -4.848 7.437 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.362 1.861 2.488 1.00 1.00 C HETATM 93 CB 2AG A 8 1.556 1.445 1.767 1.00 1.00 C HETATM 94 CA 2AG A 8 1.566 -0.079 1.620 1.00 1.00 C HETATM 95 C 2AG A 8 0.744 -0.492 0.400 1.00 1.00 C HETATM 96 O 2AG A 8 0.031 0.319 -0.185 1.00 1.00 O HETATM 97 N 2AG A 8 2.933 -0.522 1.443 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.288 1.110 2.895 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.432 1.755 2.316 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.565 1.896 0.789 1.00 1.00 H HETATM 101 HA 2AG A 8 1.150 -0.533 2.508 1.00 1.00 H HETATM 102 H 2AG A 8 3.324 -0.472 0.557 1.00 1.00 H ATOM 103 N ALA A 9 0.870 -1.759 0.015 1.00 1.00 N ATOM 104 CA ALA A 9 0.157 -2.280 -1.151 1.00 1.00 C ATOM 105 C ALA A 9 -1.268 -2.701 -0.800 1.00 1.00 C ATOM 106 O ALA A 9 -1.799 -3.657 -1.364 1.00 1.00 O ATOM 107 CB ALA A 9 0.914 -3.478 -1.727 1.00 1.00 C ATOM 108 H ALA A 9 1.468 -2.351 0.517 1.00 1.00 H ATOM 109 HA ALA A 9 0.114 -1.506 -1.905 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.886 -4.295 -1.021 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.941 -3.200 -1.913 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.451 -3.786 -2.653 1.00 1.00 H ATOM 113 N TRP A 10 -1.884 -1.974 0.121 1.00 1.00 N ATOM 114 CA TRP A 10 -3.249 -2.262 0.535 1.00 1.00 C ATOM 115 C TRP A 10 -4.238 -1.492 -0.332 1.00 1.00 C ATOM 116 O TRP A 10 -3.881 -0.490 -0.950 1.00 1.00 O ATOM 117 CB TRP A 10 -3.422 -1.868 1.993 1.00 1.00 C ATOM 118 CG TRP A 10 -3.412 -0.382 2.116 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.336 0.412 1.925 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.513 0.500 2.447 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.702 1.723 2.143 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.036 1.828 2.466 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.864 0.273 2.736 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -4.868 2.898 2.765 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.716 1.349 3.037 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.216 2.662 3.055 1.00 1.00 C ATOM 127 H TRP A 10 -1.415 -1.224 0.528 1.00 1.00 H ATOM 128 HA TRP A 10 -3.440 -3.317 0.435 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.359 -2.251 2.355 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.615 -2.283 2.577 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.353 0.078 1.655 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.104 2.496 2.080 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.250 -0.739 2.713 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.469 3.900 2.778 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.755 1.167 3.262 1.00 1.00 H ATOM 136 HH2 TRP A 10 -6.872 3.487 3.287 1.00 1.00 H ATOM 137 N ARG A 11 -5.481 -1.967 -0.384 1.00 1.00 N ATOM 138 CA ARG A 11 -6.501 -1.309 -1.195 1.00 1.00 C ATOM 139 C ARG A 11 -5.909 -0.926 -2.545 1.00 1.00 C ATOM 140 O ARG A 11 -6.435 -0.073 -3.259 1.00 1.00 O ATOM 141 CB ARG A 11 -7.024 -0.055 -0.477 1.00 1.00 C ATOM 142 CG ARG A 11 -8.269 -0.404 0.352 1.00 1.00 C ATOM 143 CD ARG A 11 -9.526 -0.237 -0.506 1.00 1.00 C ATOM 144 NE ARG A 11 -9.921 1.166 -0.551 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.053 1.545 -1.137 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.832 0.655 -1.688 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.384 2.807 -1.161 1.00 1.00 N ATOM 148 H ARG A 11 -5.712 -2.773 0.124 1.00 1.00 H ATOM 149 HA ARG A 11 -7.315 -1.995 -1.357 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.253 0.327 0.176 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.280 0.700 -1.206 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.201 -1.425 0.699 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.330 0.258 1.202 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.326 -0.584 -1.509 1.00 1.00 H ATOM 155 HD3 ARG A 11 -10.329 -0.823 -0.081 1.00 1.00 H ATOM 156 HE ARG A 11 -9.342 1.842 -0.141 1.00 1.00 H ATOM 157 HH11 ARG A 11 -11.578 -0.312 -1.669 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.682 0.941 -2.129 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.787 3.488 -0.739 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.235 3.092 -1.601 1.00 1.00 H ATOM 161 N CYS A 12 -4.800 -1.571 -2.870 1.00 1.00 N ATOM 162 CA CYS A 12 -4.098 -1.318 -4.120 1.00 1.00 C ATOM 163 C CYS A 12 -4.518 -2.331 -5.185 1.00 1.00 C ATOM 164 O CYS A 12 -3.935 -2.378 -6.268 1.00 1.00 O ATOM 165 CB CYS A 12 -2.589 -1.411 -3.869 1.00 1.00 C ATOM 166 SG CYS A 12 -1.847 0.223 -4.053 1.00 1.00 S ATOM 167 H CYS A 12 -4.438 -2.232 -2.244 1.00 1.00 H ATOM 168 HA CYS A 12 -4.337 -0.323 -4.467 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.417 -1.768 -2.867 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.140 -2.088 -4.569 1.00 1.00 H HETATM 171 N NH2 A 13 -5.501 -3.151 -4.936 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.964 -3.113 -4.072 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.777 -3.805 -5.611 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 4 ATOM 1 N GLY A 1 -3.309 7.946 -0.465 1.00 1.00 N ATOM 2 CA GLY A 1 -3.028 6.712 0.322 1.00 1.00 C ATOM 3 C GLY A 1 -1.594 6.261 0.067 1.00 1.00 C ATOM 4 O GLY A 1 -0.969 6.672 -0.911 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.242 7.866 -0.917 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.578 8.064 -1.198 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.302 8.771 0.166 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.159 6.921 1.375 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.707 5.930 0.021 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.200 3.176 2.462 1.00 1.00 C HETATM 11 CB 2AG A 2 0.740 4.249 2.108 1.00 1.00 C HETATM 12 CA 2AG A 2 0.286 4.917 0.808 1.00 1.00 C HETATM 13 C 2AG A 2 0.376 3.929 -0.354 1.00 1.00 C HETATM 14 O 2AG A 2 1.449 3.420 -0.667 1.00 1.00 O HETATM 15 N 2AG A 2 -1.077 5.414 0.952 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.182 3.435 2.827 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.733 3.857 1.984 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.749 4.987 2.898 1.00 1.00 H HETATM 19 HA 2AG A 2 0.940 5.752 0.602 1.00 1.00 H HETATM 20 H 2AG A 2 -1.620 5.120 1.713 1.00 1.00 H ATOM 21 N CYS A 3 -0.761 3.682 -0.998 1.00 1.00 N ATOM 22 CA CYS A 3 -0.818 2.770 -2.142 1.00 1.00 C ATOM 23 C CYS A 3 0.411 2.927 -3.040 1.00 1.00 C ATOM 24 O CYS A 3 0.706 2.052 -3.855 1.00 1.00 O ATOM 25 CB CYS A 3 -2.101 3.042 -2.933 1.00 1.00 C ATOM 26 SG CYS A 3 -3.108 1.550 -2.972 1.00 1.00 S ATOM 27 H CYS A 3 -1.582 4.131 -0.706 1.00 1.00 H ATOM 28 HA CYS A 3 -0.849 1.750 -1.781 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.656 3.826 -2.444 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.863 3.338 -3.943 1.00 1.00 H ATOM 31 N SER A 4 1.131 4.034 -2.880 1.00 1.00 N ATOM 32 CA SER A 4 2.330 4.274 -3.678 1.00 1.00 C ATOM 33 C SER A 4 3.518 3.519 -3.090 1.00 1.00 C ATOM 34 O SER A 4 4.371 3.014 -3.818 1.00 1.00 O ATOM 35 CB SER A 4 2.640 5.770 -3.717 1.00 1.00 C ATOM 36 OG SER A 4 1.435 6.494 -3.930 1.00 1.00 O ATOM 37 H SER A 4 0.857 4.695 -2.212 1.00 1.00 H ATOM 38 HA SER A 4 2.158 3.927 -4.683 1.00 1.00 H ATOM 39 HB2 SER A 4 3.075 6.075 -2.781 1.00 1.00 H ATOM 40 HB3 SER A 4 3.339 5.971 -4.519 1.00 1.00 H ATOM 41 HG SER A 4 1.568 7.390 -3.614 1.00 1.00 H ATOM 42 N ASP A 5 3.559 3.447 -1.764 1.00 1.00 N ATOM 43 CA ASP A 5 4.637 2.751 -1.068 1.00 1.00 C ATOM 44 C ASP A 5 4.458 1.236 -1.191 1.00 1.00 C ATOM 45 O ASP A 5 3.355 0.721 -1.009 1.00 1.00 O ATOM 46 CB ASP A 5 4.637 3.164 0.410 1.00 1.00 C ATOM 47 CG ASP A 5 5.433 2.166 1.246 1.00 1.00 C ATOM 48 OD1 ASP A 5 4.854 1.176 1.660 1.00 1.00 O ATOM 49 OD2 ASP A 5 6.609 2.411 1.465 1.00 1.00 O ATOM 50 H ASP A 5 2.847 3.870 -1.243 1.00 1.00 H ATOM 51 HA ASP A 5 5.578 3.035 -1.509 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.082 4.144 0.506 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.620 3.198 0.770 1.00 1.00 H ATOM 54 N PRO A 6 5.512 0.519 -1.497 1.00 1.00 N ATOM 55 CA PRO A 6 5.433 -0.967 -1.644 1.00 1.00 C ATOM 56 C PRO A 6 5.014 -1.647 -0.344 1.00 1.00 C ATOM 57 O PRO A 6 4.445 -2.740 -0.359 1.00 1.00 O ATOM 58 CB PRO A 6 6.853 -1.375 -2.047 1.00 1.00 C ATOM 59 CG PRO A 6 7.733 -0.305 -1.494 1.00 1.00 C ATOM 60 CD PRO A 6 6.911 0.983 -1.518 1.00 1.00 C ATOM 61 HA PRO A 6 4.746 -1.226 -2.434 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.105 -2.335 -1.617 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.944 -1.409 -3.122 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.019 -0.550 -0.479 1.00 1.00 H ATOM 65 HG3 PRO A 6 8.611 -0.189 -2.110 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.129 1.583 -0.645 1.00 1.00 H ATOM 67 HD3 PRO A 6 7.105 1.541 -2.421 1.00 1.00 H ATOM 68 N ARG A 7 5.290 -0.990 0.777 1.00 1.00 N ATOM 69 CA ARG A 7 4.930 -1.539 2.080 1.00 1.00 C ATOM 70 C ARG A 7 3.484 -1.174 2.407 1.00 1.00 C ATOM 71 O ARG A 7 2.963 -1.522 3.467 1.00 1.00 O ATOM 72 CB ARG A 7 5.874 -0.983 3.157 1.00 1.00 C ATOM 73 CG ARG A 7 6.827 -2.083 3.629 1.00 1.00 C ATOM 74 CD ARG A 7 7.937 -1.464 4.479 1.00 1.00 C ATOM 75 NE ARG A 7 7.372 -0.537 5.452 1.00 1.00 N ATOM 76 CZ ARG A 7 8.127 0.009 6.400 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.398 -0.279 6.469 1.00 1.00 N ATOM 78 NH2 ARG A 7 7.596 0.834 7.261 1.00 1.00 N ATOM 79 H ARG A 7 5.740 -0.119 0.728 1.00 1.00 H ATOM 80 HA ARG A 7 5.020 -2.614 2.048 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.446 -0.167 2.743 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.299 -0.626 3.998 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.281 -2.805 4.218 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.264 -2.573 2.771 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.465 -2.247 4.999 1.00 1.00 H ATOM 86 HD3 ARG A 7 8.627 -0.936 3.836 1.00 1.00 H ATOM 87 HE ARG A 7 6.419 -0.314 5.406 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.804 -0.911 5.810 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.965 0.131 7.183 1.00 1.00 H ATOM 90 HH21 ARG A 7 6.623 1.056 7.207 1.00 1.00 H ATOM 91 HH22 ARG A 7 8.164 1.245 7.975 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.135 1.873 2.343 1.00 1.00 C HETATM 93 CB 2AG A 8 1.448 1.470 1.855 1.00 1.00 C HETATM 94 CA 2AG A 8 1.474 -0.042 1.631 1.00 1.00 C HETATM 95 C 2AG A 8 0.696 -0.395 0.366 1.00 1.00 C HETATM 96 O 2AG A 8 -0.081 0.409 -0.145 1.00 1.00 O HETATM 97 N 2AG A 8 2.850 -0.470 1.477 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.575 1.116 2.617 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.200 1.737 2.582 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.657 1.966 0.922 1.00 1.00 H HETATM 101 HA 2AG A 8 1.030 -0.542 2.480 1.00 1.00 H HETATM 102 H 2AG A 8 3.321 -0.227 0.662 1.00 1.00 H ATOM 103 N ALA A 9 0.934 -1.601 -0.141 1.00 1.00 N ATOM 104 CA ALA A 9 0.274 -2.066 -1.360 1.00 1.00 C ATOM 105 C ALA A 9 -1.126 -2.595 -1.059 1.00 1.00 C ATOM 106 O ALA A 9 -1.651 -3.440 -1.785 1.00 1.00 O ATOM 107 CB ALA A 9 1.107 -3.170 -2.013 1.00 1.00 C ATOM 108 H ALA A 9 1.579 -2.185 0.309 1.00 1.00 H ATOM 109 HA ALA A 9 0.193 -1.239 -2.049 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.778 -3.314 -3.031 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.982 -4.090 -1.461 1.00 1.00 H ATOM 112 HB3 ALA A 9 2.149 -2.886 -2.008 1.00 1.00 H ATOM 113 N TRP A 10 -1.722 -2.089 0.011 1.00 1.00 N ATOM 114 CA TRP A 10 -3.060 -2.502 0.410 1.00 1.00 C ATOM 115 C TRP A 10 -4.118 -1.704 -0.343 1.00 1.00 C ATOM 116 O TRP A 10 -3.812 -0.683 -0.960 1.00 1.00 O ATOM 117 CB TRP A 10 -3.224 -2.262 1.898 1.00 1.00 C ATOM 118 CG TRP A 10 -3.454 -0.808 2.134 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.567 0.177 1.873 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.642 -0.158 2.646 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.121 1.386 2.235 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.402 1.231 2.714 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.885 -0.643 3.066 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.362 2.113 3.186 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.866 0.243 3.541 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.603 1.622 3.606 1.00 1.00 C ATOM 127 H TRP A 10 -1.253 -1.422 0.548 1.00 1.00 H ATOM 128 HA TRP A 10 -3.192 -3.553 0.208 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.065 -2.825 2.263 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.328 -2.573 2.416 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.584 0.041 1.462 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.678 2.257 2.163 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.090 -1.704 3.005 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.142 3.168 3.233 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.824 -0.137 3.865 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.359 2.301 3.972 1.00 1.00 H ATOM 137 N ARG A 11 -5.368 -2.171 -0.284 1.00 1.00 N ATOM 138 CA ARG A 11 -6.464 -1.486 -0.965 1.00 1.00 C ATOM 139 C ARG A 11 -5.992 -0.975 -2.317 1.00 1.00 C ATOM 140 O ARG A 11 -6.579 -0.068 -2.905 1.00 1.00 O ATOM 141 CB ARG A 11 -6.964 -0.317 -0.107 1.00 1.00 C ATOM 142 CG ARG A 11 -8.112 0.407 -0.825 1.00 1.00 C ATOM 143 CD ARG A 11 -9.111 0.939 0.205 1.00 1.00 C ATOM 144 NE ARG A 11 -10.148 1.722 -0.456 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.060 1.141 -1.229 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.038 -0.152 -1.404 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.977 1.863 -1.813 1.00 1.00 N ATOM 148 H ARG A 11 -5.553 -2.986 0.228 1.00 1.00 H ATOM 149 HA ARG A 11 -7.271 -2.182 -1.117 1.00 1.00 H ATOM 150 HB2 ARG A 11 -7.312 -0.698 0.842 1.00 1.00 H ATOM 151 HB3 ARG A 11 -6.152 0.375 0.061 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.713 1.234 -1.396 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.615 -0.278 -1.490 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.567 0.109 0.723 1.00 1.00 H ATOM 155 HD3 ARG A 11 -8.591 1.561 0.920 1.00 1.00 H ATOM 156 HE ARG A 11 -10.173 2.693 -0.329 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.336 -0.706 -0.957 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.724 -0.589 -1.987 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.994 2.854 -1.678 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.662 1.426 -2.395 1.00 1.00 H ATOM 161 N CYS A 12 -4.909 -1.573 -2.787 1.00 1.00 N ATOM 162 CA CYS A 12 -4.311 -1.199 -4.062 1.00 1.00 C ATOM 163 C CYS A 12 -4.795 -2.126 -5.177 1.00 1.00 C ATOM 164 O CYS A 12 -5.461 -3.128 -4.911 1.00 1.00 O ATOM 165 CB CYS A 12 -2.784 -1.272 -3.939 1.00 1.00 C ATOM 166 SG CYS A 12 -2.082 0.360 -4.236 1.00 1.00 S ATOM 167 H CYS A 12 -4.494 -2.282 -2.251 1.00 1.00 H ATOM 168 HA CYS A 12 -4.593 -0.182 -4.302 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.521 -1.595 -2.945 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.386 -1.967 -4.654 1.00 1.00 H HETATM 171 N NH2 A 13 -4.497 -1.848 -6.416 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -3.968 -1.051 -6.626 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.803 -2.438 -7.138 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 5 ATOM 1 N GLY A 1 -3.702 7.599 0.305 1.00 1.00 N ATOM 2 CA GLY A 1 -3.258 6.263 0.796 1.00 1.00 C ATOM 3 C GLY A 1 -1.802 6.034 0.407 1.00 1.00 C ATOM 4 O GLY A 1 -1.313 6.604 -0.568 1.00 1.00 O ATOM 5 H1 GLY A 1 -2.877 8.136 -0.029 1.00 1.00 H ATOM 6 H2 GLY A 1 -4.163 8.116 1.082 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.373 7.475 -0.478 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.355 6.224 1.872 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.872 5.493 0.352 1.00 1.00 H HETATM 10 C1E 2AG A 2 0.054 3.196 2.636 1.00 1.00 C HETATM 11 CB 2AG A 2 0.935 4.254 2.124 1.00 1.00 C HETATM 12 CA 2AG A 2 0.287 4.899 0.900 1.00 1.00 C HETATM 13 C 2AG A 2 0.410 3.967 -0.301 1.00 1.00 C HETATM 14 O 2AG A 2 1.508 3.564 -0.673 1.00 1.00 O HETATM 15 N 2AG A 2 -1.114 5.195 1.175 1.00 1.00 N HETATM 16 H1E 2AG A 2 -0.848 3.471 3.157 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.895 3.850 1.854 1.00 1.00 H HETATM 18 HB3 2AG A 2 1.071 5.005 2.889 1.00 1.00 H HETATM 19 HA 2AG A 2 0.802 5.822 0.680 1.00 1.00 H HETATM 20 H 2AG A 2 -1.556 4.768 1.939 1.00 1.00 H ATOM 21 N CYS A 3 -0.728 3.642 -0.906 1.00 1.00 N ATOM 22 CA CYS A 3 -0.762 2.764 -2.077 1.00 1.00 C ATOM 23 C CYS A 3 0.423 3.030 -3.010 1.00 1.00 C ATOM 24 O CYS A 3 0.741 2.206 -3.868 1.00 1.00 O ATOM 25 CB CYS A 3 -2.084 2.981 -2.822 1.00 1.00 C ATOM 26 SG CYS A 3 -3.003 1.430 -2.885 1.00 1.00 S ATOM 27 H CYS A 3 -1.571 4.005 -0.561 1.00 1.00 H ATOM 28 HA CYS A 3 -0.717 1.734 -1.751 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.669 3.716 -2.292 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.892 3.325 -3.827 1.00 1.00 H ATOM 31 N SER A 4 1.077 4.175 -2.836 1.00 1.00 N ATOM 32 CA SER A 4 2.227 4.522 -3.667 1.00 1.00 C ATOM 33 C SER A 4 3.520 4.012 -3.033 1.00 1.00 C ATOM 34 O SER A 4 4.616 4.371 -3.461 1.00 1.00 O ATOM 35 CB SER A 4 2.307 6.039 -3.837 1.00 1.00 C ATOM 36 OG SER A 4 2.682 6.631 -2.600 1.00 1.00 O ATOM 37 H SER A 4 0.787 4.794 -2.133 1.00 1.00 H ATOM 38 HA SER A 4 2.110 4.069 -4.640 1.00 1.00 H ATOM 39 HB2 SER A 4 3.044 6.281 -4.584 1.00 1.00 H ATOM 40 HB3 SER A 4 1.343 6.416 -4.151 1.00 1.00 H ATOM 41 HG SER A 4 2.348 7.531 -2.588 1.00 1.00 H ATOM 42 N ASP A 5 3.379 3.174 -2.006 1.00 1.00 N ATOM 43 CA ASP A 5 4.537 2.618 -1.308 1.00 1.00 C ATOM 44 C ASP A 5 4.480 1.088 -1.310 1.00 1.00 C ATOM 45 O ASP A 5 3.452 0.502 -0.972 1.00 1.00 O ATOM 46 CB ASP A 5 4.553 3.129 0.133 1.00 1.00 C ATOM 47 CG ASP A 5 5.808 2.639 0.847 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.839 3.272 0.692 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.718 1.638 1.538 1.00 1.00 O ATOM 50 H ASP A 5 2.479 2.929 -1.708 1.00 1.00 H ATOM 51 HA ASP A 5 5.436 2.945 -1.798 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.541 4.208 0.128 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.682 2.764 0.652 1.00 1.00 H ATOM 54 N PRO A 6 5.556 0.431 -1.679 1.00 1.00 N ATOM 55 CA PRO A 6 5.591 -1.061 -1.709 1.00 1.00 C ATOM 56 C PRO A 6 5.192 -1.686 -0.372 1.00 1.00 C ATOM 57 O PRO A 6 4.711 -2.818 -0.327 1.00 1.00 O ATOM 58 CB PRO A 6 7.047 -1.376 -2.046 1.00 1.00 C ATOM 59 CG PRO A 6 7.508 -0.225 -2.877 1.00 1.00 C ATOM 60 CD PRO A 6 6.702 0.997 -2.421 1.00 1.00 C ATOM 61 HA PRO A 6 4.953 -1.430 -2.495 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.634 -1.448 -1.140 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.113 -2.292 -2.613 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.565 -0.057 -2.720 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.313 -0.419 -3.920 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.304 1.624 -1.775 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.353 1.557 -3.276 1.00 1.00 H ATOM 68 N ARG A 7 5.394 -0.945 0.714 1.00 1.00 N ATOM 69 CA ARG A 7 5.050 -1.447 2.045 1.00 1.00 C ATOM 70 C ARG A 7 3.630 -1.024 2.417 1.00 1.00 C ATOM 71 O ARG A 7 3.208 -1.155 3.566 1.00 1.00 O ATOM 72 CB ARG A 7 6.049 -0.906 3.081 1.00 1.00 C ATOM 73 CG ARG A 7 6.921 -2.045 3.624 1.00 1.00 C ATOM 74 CD ARG A 7 6.130 -2.854 4.655 1.00 1.00 C ATOM 75 NE ARG A 7 6.829 -4.096 4.965 1.00 1.00 N ATOM 76 CZ ARG A 7 6.721 -5.162 4.178 1.00 1.00 C ATOM 77 NH1 ARG A 7 5.978 -5.110 3.107 1.00 1.00 N ATOM 78 NH2 ARG A 7 7.358 -6.261 4.478 1.00 1.00 N ATOM 79 H ARG A 7 5.780 -0.047 0.621 1.00 1.00 H ATOM 80 HA ARG A 7 5.098 -2.526 2.035 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.681 -0.168 2.613 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.511 -0.448 3.898 1.00 1.00 H ATOM 83 HG2 ARG A 7 7.220 -2.690 2.810 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.800 -1.631 4.094 1.00 1.00 H ATOM 85 HD2 ARG A 7 6.022 -2.272 5.557 1.00 1.00 H ATOM 86 HD3 ARG A 7 5.152 -3.080 4.259 1.00 1.00 H ATOM 87 HE ARG A 7 7.388 -4.145 5.769 1.00 1.00 H ATOM 88 HH11 ARG A 7 5.491 -4.267 2.877 1.00 1.00 H ATOM 89 HH12 ARG A 7 5.897 -5.912 2.515 1.00 1.00 H ATOM 90 HH21 ARG A 7 7.927 -6.302 5.300 1.00 1.00 H ATOM 91 HH22 ARG A 7 7.277 -7.063 3.886 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.340 1.889 2.464 1.00 1.00 C HETATM 93 CB 2AG A 8 1.542 1.461 1.762 1.00 1.00 C HETATM 94 CA 2AG A 8 1.543 -0.064 1.622 1.00 1.00 C HETATM 95 C 2AG A 8 0.704 -0.481 0.416 1.00 1.00 C HETATM 96 O 2AG A 8 -0.024 0.326 -0.159 1.00 1.00 O HETATM 97 N 2AG A 8 2.906 -0.515 1.430 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.328 1.145 2.853 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.412 1.767 2.321 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.567 1.907 0.782 1.00 1.00 H HETATM 101 HA 2AG A 8 1.136 -0.512 2.517 1.00 1.00 H HETATM 102 H 2AG A 8 3.300 -0.436 0.547 1.00 1.00 H ATOM 103 N ALA A 9 0.834 -1.746 0.029 1.00 1.00 N ATOM 104 CA ALA A 9 0.109 -2.272 -1.126 1.00 1.00 C ATOM 105 C ALA A 9 -1.310 -2.702 -0.756 1.00 1.00 C ATOM 106 O ALA A 9 -1.831 -3.680 -1.293 1.00 1.00 O ATOM 107 CB ALA A 9 0.864 -3.467 -1.712 1.00 1.00 C ATOM 108 H ALA A 9 1.445 -2.332 0.521 1.00 1.00 H ATOM 109 HA ALA A 9 0.051 -1.500 -1.880 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.798 -4.303 -1.031 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.901 -3.201 -1.855 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.428 -3.739 -2.661 1.00 1.00 H ATOM 113 N TRP A 10 -1.932 -1.960 0.149 1.00 1.00 N ATOM 114 CA TRP A 10 -3.291 -2.258 0.575 1.00 1.00 C ATOM 115 C TRP A 10 -4.291 -1.523 -0.309 1.00 1.00 C ATOM 116 O TRP A 10 -3.965 -0.499 -0.908 1.00 1.00 O ATOM 117 CB TRP A 10 -3.473 -1.830 2.022 1.00 1.00 C ATOM 118 CG TRP A 10 -3.456 -0.342 2.110 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.373 0.439 1.919 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.556 0.555 2.401 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.732 1.757 2.098 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.071 1.880 2.395 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.913 0.343 2.673 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -4.899 2.962 2.653 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.762 1.432 2.932 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.254 2.742 2.925 1.00 1.00 C ATOM 127 H TRP A 10 -1.473 -1.193 0.535 1.00 1.00 H ATOM 128 HA TRP A 10 -3.468 -3.318 0.500 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.413 -2.199 2.386 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.672 -2.235 2.620 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.390 0.091 1.676 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.127 2.525 2.025 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.303 -0.665 2.671 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.494 3.962 2.647 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.807 1.262 3.143 1.00 1.00 H ATOM 136 HH2 TRP A 10 -6.909 3.579 3.125 1.00 1.00 H ATOM 137 N ARG A 11 -5.507 -2.054 -0.397 1.00 1.00 N ATOM 138 CA ARG A 11 -6.537 -1.433 -1.228 1.00 1.00 C ATOM 139 C ARG A 11 -5.941 -1.036 -2.568 1.00 1.00 C ATOM 140 O ARG A 11 -6.508 -0.232 -3.307 1.00 1.00 O ATOM 141 CB ARG A 11 -7.097 -0.185 -0.534 1.00 1.00 C ATOM 142 CG ARG A 11 -8.342 -0.541 0.286 1.00 1.00 C ATOM 143 CD ARG A 11 -9.106 0.741 0.621 1.00 1.00 C ATOM 144 NE ARG A 11 -10.036 1.068 -0.454 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.212 0.457 -0.555 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.554 -0.451 0.317 1.00 1.00 N ATOM 147 NH2 ARG A 11 -12.026 0.765 -1.529 1.00 1.00 N ATOM 148 H ARG A 11 -5.714 -2.874 0.097 1.00 1.00 H ATOM 149 HA ARG A 11 -7.327 -2.143 -1.395 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.345 0.226 0.121 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.363 0.552 -1.278 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.978 -1.201 -0.287 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.043 -1.031 1.200 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.656 0.601 1.538 1.00 1.00 H ATOM 155 HD3 ARG A 11 -8.402 1.553 0.744 1.00 1.00 H ATOM 156 HE ARG A 11 -9.790 1.748 -1.114 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.931 -0.688 1.063 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.439 -0.911 0.241 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.764 1.461 -2.197 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.910 0.306 -1.605 1.00 1.00 H ATOM 161 N CYS A 12 -4.785 -1.601 -2.857 1.00 1.00 N ATOM 162 CA CYS A 12 -4.084 -1.308 -4.095 1.00 1.00 C ATOM 163 C CYS A 12 -4.488 -2.294 -5.189 1.00 1.00 C ATOM 164 O CYS A 12 -4.921 -3.408 -4.898 1.00 1.00 O ATOM 165 CB CYS A 12 -2.572 -1.384 -3.844 1.00 1.00 C ATOM 166 SG CYS A 12 -1.844 0.255 -4.043 1.00 1.00 S ATOM 167 H CYS A 12 -4.389 -2.224 -2.214 1.00 1.00 H ATOM 168 HA CYS A 12 -4.337 -0.305 -4.409 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.395 -1.731 -2.839 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.117 -2.064 -4.538 1.00 1.00 H HETATM 171 N NH2 A 13 -4.371 -1.946 -6.441 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.027 -1.057 -6.673 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.628 -2.572 -7.150 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 6 ATOM 1 N GLY A 1 -3.887 6.807 -0.819 1.00 1.00 N ATOM 2 CA GLY A 1 -3.174 6.553 0.464 1.00 1.00 C ATOM 3 C GLY A 1 -1.721 6.195 0.175 1.00 1.00 C ATOM 4 O GLY A 1 -1.120 6.714 -0.766 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.325 5.926 -1.154 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.208 7.150 -1.530 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.625 7.524 -0.671 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.214 7.440 1.079 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.647 5.732 0.983 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.168 3.164 2.503 1.00 1.00 C HETATM 11 CB 2AG A 2 0.742 4.243 2.096 1.00 1.00 C HETATM 12 CA 2AG A 2 0.223 4.891 0.810 1.00 1.00 C HETATM 13 C 2AG A 2 0.340 3.915 -0.359 1.00 1.00 C HETATM 14 O 2AG A 2 1.430 3.443 -0.680 1.00 1.00 O HETATM 15 N 2AG A 2 -1.162 5.309 0.990 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.133 3.417 2.917 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.734 3.859 1.930 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.781 4.990 2.877 1.00 1.00 H HETATM 19 HA 2AG A 2 0.824 5.763 0.595 1.00 1.00 H HETATM 20 H 2AG A 2 -1.688 4.928 1.724 1.00 1.00 H ATOM 21 N CYS A 3 -0.793 3.632 -0.996 1.00 1.00 N ATOM 22 CA CYS A 3 -0.833 2.726 -2.145 1.00 1.00 C ATOM 23 C CYS A 3 0.405 2.890 -3.033 1.00 1.00 C ATOM 24 O CYS A 3 0.719 2.013 -3.837 1.00 1.00 O ATOM 25 CB CYS A 3 -2.107 3.002 -2.948 1.00 1.00 C ATOM 26 SG CYS A 3 -3.114 1.511 -3.009 1.00 1.00 S ATOM 27 H CYS A 3 -1.625 4.053 -0.694 1.00 1.00 H ATOM 28 HA CYS A 3 -0.867 1.704 -1.790 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.666 3.785 -2.463 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.856 3.303 -3.954 1.00 1.00 H ATOM 31 N SER A 4 1.109 4.009 -2.879 1.00 1.00 N ATOM 32 CA SER A 4 2.311 4.256 -3.671 1.00 1.00 C ATOM 33 C SER A 4 3.500 3.497 -3.082 1.00 1.00 C ATOM 34 O SER A 4 4.335 2.965 -3.813 1.00 1.00 O ATOM 35 CB SER A 4 2.613 5.756 -3.708 1.00 1.00 C ATOM 36 OG SER A 4 3.133 6.099 -4.986 1.00 1.00 O ATOM 37 H SER A 4 0.819 4.673 -2.221 1.00 1.00 H ATOM 38 HA SER A 4 2.142 3.909 -4.678 1.00 1.00 H ATOM 39 HB2 SER A 4 1.708 6.312 -3.534 1.00 1.00 H ATOM 40 HB3 SER A 4 3.335 6.001 -2.938 1.00 1.00 H ATOM 41 HG SER A 4 3.932 5.586 -5.130 1.00 1.00 H ATOM 42 N ASP A 5 3.560 3.452 -1.756 1.00 1.00 N ATOM 43 CA ASP A 5 4.641 2.756 -1.061 1.00 1.00 C ATOM 44 C ASP A 5 4.462 1.242 -1.185 1.00 1.00 C ATOM 45 O ASP A 5 3.360 0.726 -0.995 1.00 1.00 O ATOM 46 CB ASP A 5 4.643 3.163 0.418 1.00 1.00 C ATOM 47 CG ASP A 5 5.551 2.243 1.229 1.00 1.00 C ATOM 48 OD1 ASP A 5 5.065 1.224 1.693 1.00 1.00 O ATOM 49 OD2 ASP A 5 6.716 2.573 1.379 1.00 1.00 O ATOM 50 H ASP A 5 2.861 3.894 -1.233 1.00 1.00 H ATOM 51 HA ASP A 5 5.581 3.040 -1.503 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.997 4.180 0.507 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.637 3.101 0.806 1.00 1.00 H ATOM 54 N PRO A 6 5.513 0.523 -1.500 1.00 1.00 N ATOM 55 CA PRO A 6 5.426 -0.962 -1.645 1.00 1.00 C ATOM 56 C PRO A 6 5.009 -1.633 -0.339 1.00 1.00 C ATOM 57 O PRO A 6 4.415 -2.711 -0.347 1.00 1.00 O ATOM 58 CB PRO A 6 6.842 -1.379 -2.053 1.00 1.00 C ATOM 59 CG PRO A 6 7.731 -0.309 -1.518 1.00 1.00 C ATOM 60 CD PRO A 6 6.914 0.983 -1.545 1.00 1.00 C ATOM 61 HA PRO A 6 4.734 -1.218 -2.431 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.094 -2.336 -1.615 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.925 -1.423 -3.128 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.025 -0.545 -0.503 1.00 1.00 H ATOM 65 HG3 PRO A 6 8.605 -0.201 -2.143 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.147 1.592 -0.682 1.00 1.00 H ATOM 67 HD3 PRO A 6 7.099 1.530 -2.457 1.00 1.00 H ATOM 68 N ARG A 7 5.315 -0.981 0.776 1.00 1.00 N ATOM 69 CA ARG A 7 4.957 -1.518 2.086 1.00 1.00 C ATOM 70 C ARG A 7 3.509 -1.157 2.408 1.00 1.00 C ATOM 71 O ARG A 7 2.989 -1.493 3.471 1.00 1.00 O ATOM 72 CB ARG A 7 5.898 -0.946 3.161 1.00 1.00 C ATOM 73 CG ARG A 7 6.657 -2.081 3.859 1.00 1.00 C ATOM 74 CD ARG A 7 7.756 -2.604 2.934 1.00 1.00 C ATOM 75 NE ARG A 7 8.246 -3.893 3.410 1.00 1.00 N ATOM 76 CZ ARG A 7 9.375 -4.414 2.940 1.00 1.00 C ATOM 77 NH1 ARG A 7 10.069 -3.770 2.041 1.00 1.00 N ATOM 78 NH2 ARG A 7 9.791 -5.571 3.379 1.00 1.00 N ATOM 79 H ARG A 7 5.782 -0.119 0.717 1.00 1.00 H ATOM 80 HA ARG A 7 5.052 -2.593 2.061 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.608 -0.279 2.693 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.326 -0.398 3.893 1.00 1.00 H ATOM 83 HG2 ARG A 7 7.101 -1.707 4.770 1.00 1.00 H ATOM 84 HG3 ARG A 7 5.974 -2.883 4.096 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.361 -2.720 1.936 1.00 1.00 H ATOM 86 HD3 ARG A 7 8.569 -1.894 2.914 1.00 1.00 H ATOM 87 HE ARG A 7 7.735 -4.383 4.086 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.751 -2.883 1.705 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.918 -4.163 1.688 1.00 1.00 H ATOM 90 HH21 ARG A 7 9.261 -6.064 4.067 1.00 1.00 H ATOM 91 HH22 ARG A 7 10.641 -5.963 3.026 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.172 1.864 2.373 1.00 1.00 C HETATM 93 CB 2AG A 8 1.461 1.472 1.820 1.00 1.00 C HETATM 94 CA 2AG A 8 1.495 -0.043 1.612 1.00 1.00 C HETATM 95 C 2AG A 8 0.723 -0.414 0.349 1.00 1.00 C HETATM 96 O 2AG A 8 -0.045 0.385 -0.181 1.00 1.00 O HETATM 97 N 2AG A 8 2.874 -0.466 1.467 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.515 1.101 2.685 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.246 1.756 2.503 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.614 1.960 0.872 1.00 1.00 H HETATM 101 HA 2AG A 8 1.051 -0.537 2.466 1.00 1.00 H HETATM 102 H 2AG A 8 3.344 -0.233 0.650 1.00 1.00 H ATOM 103 N ALA A 9 0.957 -1.630 -0.133 1.00 1.00 N ATOM 104 CA ALA A 9 0.303 -2.112 -1.348 1.00 1.00 C ATOM 105 C ALA A 9 -1.111 -2.609 -1.054 1.00 1.00 C ATOM 106 O ALA A 9 -1.648 -3.451 -1.775 1.00 1.00 O ATOM 107 CB ALA A 9 1.124 -3.246 -1.963 1.00 1.00 C ATOM 108 H ALA A 9 1.594 -2.209 0.332 1.00 1.00 H ATOM 109 HA ALA A 9 0.245 -1.302 -2.059 1.00 1.00 H ATOM 110 HB1 ALA A 9 2.126 -2.896 -2.163 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.663 -3.566 -2.886 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.163 -4.077 -1.273 1.00 1.00 H ATOM 113 N TRP A 10 -1.706 -2.083 0.007 1.00 1.00 N ATOM 114 CA TRP A 10 -3.055 -2.467 0.399 1.00 1.00 C ATOM 115 C TRP A 10 -4.093 -1.648 -0.362 1.00 1.00 C ATOM 116 O TRP A 10 -3.755 -0.658 -1.011 1.00 1.00 O ATOM 117 CB TRP A 10 -3.221 -2.227 1.887 1.00 1.00 C ATOM 118 CG TRP A 10 -3.424 -0.769 2.127 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.520 0.199 1.869 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.599 -0.102 2.643 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.053 1.417 2.234 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.336 1.283 2.714 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.850 -0.566 3.064 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.280 2.181 3.191 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.815 0.336 3.544 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.529 1.710 3.611 1.00 1.00 C ATOM 127 H TRP A 10 -1.229 -1.421 0.542 1.00 1.00 H ATOM 128 HA TRP A 10 -3.208 -3.514 0.194 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.074 -2.775 2.246 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.334 -2.558 2.408 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.538 0.047 1.457 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.594 2.280 2.164 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.072 -1.622 3.001 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.043 3.231 3.239 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.778 -0.030 3.868 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.272 2.400 3.980 1.00 1.00 H ATOM 137 N ARG A 11 -5.359 -2.062 -0.273 1.00 1.00 N ATOM 138 CA ARG A 11 -6.440 -1.356 -0.961 1.00 1.00 C ATOM 139 C ARG A 11 -5.961 -0.892 -2.328 1.00 1.00 C ATOM 140 O ARG A 11 -6.511 0.034 -2.925 1.00 1.00 O ATOM 141 CB ARG A 11 -6.895 -0.152 -0.128 1.00 1.00 C ATOM 142 CG ARG A 11 -8.011 0.604 -0.867 1.00 1.00 C ATOM 143 CD ARG A 11 -9.039 1.128 0.140 1.00 1.00 C ATOM 144 NE ARG A 11 -9.841 0.026 0.659 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.703 -0.622 -0.118 1.00 1.00 C ATOM 146 NH1 ARG A 11 -10.864 -0.259 -1.362 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.393 -1.619 0.363 1.00 1.00 N ATOM 148 H ARG A 11 -5.569 -2.856 0.263 1.00 1.00 H ATOM 149 HA ARG A 11 -7.270 -2.030 -1.092 1.00 1.00 H ATOM 150 HB2 ARG A 11 -7.263 -0.499 0.828 1.00 1.00 H ATOM 151 HB3 ARG A 11 -6.058 0.512 0.031 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.585 1.437 -1.409 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.501 -0.062 -1.562 1.00 1.00 H ATOM 154 HD2 ARG A 11 -8.525 1.610 0.958 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.684 1.844 -0.347 1.00 1.00 H ATOM 156 HE ARG A 11 -9.736 -0.247 1.594 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.340 0.508 -1.730 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.513 -0.748 -1.946 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.272 -1.897 1.316 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.040 -2.109 -0.221 1.00 1.00 H ATOM 161 N CYS A 12 -4.915 -1.548 -2.801 1.00 1.00 N ATOM 162 CA CYS A 12 -4.315 -1.226 -4.088 1.00 1.00 C ATOM 163 C CYS A 12 -4.811 -2.183 -5.170 1.00 1.00 C ATOM 164 O CYS A 12 -5.421 -1.757 -6.150 1.00 1.00 O ATOM 165 CB CYS A 12 -2.789 -1.315 -3.960 1.00 1.00 C ATOM 166 SG CYS A 12 -2.068 0.312 -4.248 1.00 1.00 S ATOM 167 H CYS A 12 -4.526 -2.267 -2.258 1.00 1.00 H ATOM 168 HA CYS A 12 -4.583 -0.213 -4.362 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.533 -1.646 -2.967 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.397 -2.010 -4.678 1.00 1.00 H HETATM 171 N NH2 A 13 -4.584 -3.462 -5.048 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.098 -3.802 -4.267 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.899 -4.084 -5.738 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 7 ATOM 1 N GLY A 1 -3.079 7.664 -0.903 1.00 1.00 N ATOM 2 CA GLY A 1 -2.516 7.311 0.431 1.00 1.00 C ATOM 3 C GLY A 1 -1.107 6.755 0.257 1.00 1.00 C ATOM 4 O GLY A 1 -0.302 7.305 -0.495 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.808 6.971 -1.167 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.318 7.656 -1.613 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.504 8.612 -0.862 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.482 8.196 1.053 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.138 6.565 0.899 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.153 3.304 2.461 1.00 1.00 C HETATM 11 CB 2AG A 2 0.844 4.347 2.187 1.00 1.00 C HETATM 12 CA 2AG A 2 0.503 5.042 0.867 1.00 1.00 C HETATM 13 C 2AG A 2 0.542 4.039 -0.281 1.00 1.00 C HETATM 14 O 2AG A 2 1.587 3.476 -0.590 1.00 1.00 O HETATM 15 N 2AG A 2 -0.815 5.663 0.956 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.145 3.596 2.760 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.831 3.921 2.124 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.825 5.076 2.984 1.00 1.00 H HETATM 19 HA 2AG A 2 1.237 5.810 0.680 1.00 1.00 H HETATM 20 H 2AG A 2 -1.496 5.266 1.539 1.00 1.00 H ATOM 21 N CYS A 3 -0.604 3.839 -0.921 1.00 1.00 N ATOM 22 CA CYS A 3 -0.699 2.921 -2.056 1.00 1.00 C ATOM 23 C CYS A 3 0.465 3.118 -3.029 1.00 1.00 C ATOM 24 O CYS A 3 0.675 2.306 -3.930 1.00 1.00 O ATOM 25 CB CYS A 3 -2.041 3.138 -2.762 1.00 1.00 C ATOM 26 SG CYS A 3 -2.990 1.607 -2.732 1.00 1.00 S ATOM 27 H CYS A 3 -1.401 4.331 -0.637 1.00 1.00 H ATOM 28 HA CYS A 3 -0.668 1.902 -1.691 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.594 3.900 -2.237 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.882 3.440 -3.786 1.00 1.00 H ATOM 31 N SER A 4 1.230 4.190 -2.833 1.00 1.00 N ATOM 32 CA SER A 4 2.381 4.465 -3.691 1.00 1.00 C ATOM 33 C SER A 4 3.623 3.774 -3.130 1.00 1.00 C ATOM 34 O SER A 4 4.646 3.659 -3.807 1.00 1.00 O ATOM 35 CB SER A 4 2.622 5.972 -3.775 1.00 1.00 C ATOM 36 OG SER A 4 1.689 6.546 -4.680 1.00 1.00 O ATOM 37 H SER A 4 1.026 4.798 -2.094 1.00 1.00 H ATOM 38 HA SER A 4 2.183 4.085 -4.682 1.00 1.00 H ATOM 39 HB2 SER A 4 2.490 6.415 -2.801 1.00 1.00 H ATOM 40 HB3 SER A 4 3.632 6.157 -4.117 1.00 1.00 H ATOM 41 HG SER A 4 1.483 5.891 -5.350 1.00 1.00 H ATOM 42 N ASP A 5 3.515 3.318 -1.886 1.00 1.00 N ATOM 43 CA ASP A 5 4.615 2.635 -1.212 1.00 1.00 C ATOM 44 C ASP A 5 4.403 1.118 -1.255 1.00 1.00 C ATOM 45 O ASP A 5 3.325 0.633 -0.912 1.00 1.00 O ATOM 46 CB ASP A 5 4.688 3.104 0.246 1.00 1.00 C ATOM 47 CG ASP A 5 5.591 2.178 1.056 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.658 1.847 0.566 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.200 1.813 2.153 1.00 1.00 O ATOM 50 H ASP A 5 2.672 3.444 -1.407 1.00 1.00 H ATOM 51 HA ASP A 5 5.541 2.884 -1.703 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.085 4.108 0.279 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.694 3.100 0.675 1.00 1.00 H ATOM 54 N PRO A 6 5.398 0.362 -1.656 1.00 1.00 N ATOM 55 CA PRO A 6 5.269 -1.122 -1.715 1.00 1.00 C ATOM 56 C PRO A 6 4.883 -1.724 -0.365 1.00 1.00 C ATOM 57 O PRO A 6 4.279 -2.795 -0.301 1.00 1.00 O ATOM 58 CB PRO A 6 6.661 -1.583 -2.144 1.00 1.00 C ATOM 59 CG PRO A 6 7.189 -0.471 -2.986 1.00 1.00 C ATOM 60 CD PRO A 6 6.549 0.820 -2.463 1.00 1.00 C ATOM 61 HA PRO A 6 4.550 -1.404 -2.467 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.289 -1.734 -1.276 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.595 -2.491 -2.725 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.267 -0.419 -2.896 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.910 -0.622 -4.017 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.252 1.367 -1.848 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.207 1.432 -3.285 1.00 1.00 H ATOM 68 N ARG A 7 5.234 -1.025 0.712 1.00 1.00 N ATOM 69 CA ARG A 7 4.916 -1.500 2.057 1.00 1.00 C ATOM 70 C ARG A 7 3.481 -1.123 2.420 1.00 1.00 C ATOM 71 O ARG A 7 2.985 -1.472 3.491 1.00 1.00 O ATOM 72 CB ARG A 7 5.894 -0.883 3.068 1.00 1.00 C ATOM 73 CG ARG A 7 6.389 -1.958 4.040 1.00 1.00 C ATOM 74 CD ARG A 7 7.309 -1.320 5.081 1.00 1.00 C ATOM 75 NE ARG A 7 7.638 -2.284 6.124 1.00 1.00 N ATOM 76 CZ ARG A 7 8.510 -1.989 7.083 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.090 -0.820 7.099 1.00 1.00 N ATOM 78 NH2 ARG A 7 8.787 -2.868 8.007 1.00 1.00 N ATOM 79 H ARG A 7 5.711 -0.177 0.600 1.00 1.00 H ATOM 80 HA ARG A 7 5.013 -2.575 2.081 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.737 -0.464 2.540 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.397 -0.101 3.626 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.543 -2.414 4.535 1.00 1.00 H ATOM 84 HG3 ARG A 7 6.936 -2.713 3.493 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.218 -0.992 4.602 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.811 -0.468 5.522 1.00 1.00 H ATOM 87 HE ARG A 7 7.207 -3.165 6.120 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.878 -0.146 6.391 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.746 -0.597 7.819 1.00 1.00 H ATOM 90 HH21 ARG A 7 8.343 -3.764 7.994 1.00 1.00 H ATOM 91 HH22 ARG A 7 9.443 -2.645 8.728 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.140 1.993 2.343 1.00 1.00 C HETATM 93 CB 2AG A 8 1.466 1.548 1.938 1.00 1.00 C HETATM 94 CA 2AG A 8 1.463 0.037 1.710 1.00 1.00 C HETATM 95 C 2AG A 8 0.639 -0.302 0.470 1.00 1.00 C HETATM 96 O 2AG A 8 -0.159 0.506 0.001 1.00 1.00 O HETATM 97 N 2AG A 8 2.831 -0.404 1.513 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.616 1.263 2.555 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.179 1.792 2.711 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.747 2.038 1.023 1.00 1.00 H HETATM 101 HA 2AG A 8 1.040 -0.457 2.572 1.00 1.00 H HETATM 102 H 2AG A 8 3.282 -0.159 0.688 1.00 1.00 H ATOM 103 N ALA A 9 0.860 -1.503 -0.064 1.00 1.00 N ATOM 104 CA ALA A 9 0.153 -1.949 -1.264 1.00 1.00 C ATOM 105 C ALA A 9 -1.183 -2.597 -0.908 1.00 1.00 C ATOM 106 O ALA A 9 -1.582 -3.593 -1.510 1.00 1.00 O ATOM 107 CB ALA A 9 1.016 -2.950 -2.034 1.00 1.00 C ATOM 108 H ALA A 9 1.520 -2.094 0.351 1.00 1.00 H ATOM 109 HA ALA A 9 -0.033 -1.095 -1.898 1.00 1.00 H ATOM 110 HB1 ALA A 9 1.966 -2.495 -2.275 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.512 -3.233 -2.946 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.180 -3.826 -1.426 1.00 1.00 H ATOM 113 N TRP A 10 -1.868 -2.017 0.067 1.00 1.00 N ATOM 114 CA TRP A 10 -3.161 -2.522 0.503 1.00 1.00 C ATOM 115 C TRP A 10 -4.283 -1.871 -0.292 1.00 1.00 C ATOM 116 O TRP A 10 -4.125 -0.762 -0.803 1.00 1.00 O ATOM 117 CB TRP A 10 -3.342 -2.216 1.978 1.00 1.00 C ATOM 118 CG TRP A 10 -3.552 -0.748 2.158 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.614 0.207 1.968 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.764 -0.056 2.545 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.168 1.438 2.246 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.491 1.328 2.604 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.055 -0.495 2.858 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.464 2.249 2.962 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.051 0.430 3.219 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.753 1.802 3.273 1.00 1.00 C ATOM 127 H TRP A 10 -1.501 -1.229 0.502 1.00 1.00 H ATOM 128 HA TRP A 10 -3.199 -3.590 0.360 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.198 -2.748 2.350 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.463 -2.524 2.521 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.601 0.039 1.661 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.696 2.294 2.197 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.286 -1.551 2.807 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.219 3.298 3.002 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.045 0.085 3.459 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.519 2.511 3.551 1.00 1.00 H ATOM 137 N ARG A 11 -5.417 -2.562 -0.397 1.00 1.00 N ATOM 138 CA ARG A 11 -6.556 -2.035 -1.146 1.00 1.00 C ATOM 139 C ARG A 11 -6.063 -1.355 -2.415 1.00 1.00 C ATOM 140 O ARG A 11 -6.753 -0.528 -3.013 1.00 1.00 O ATOM 141 CB ARG A 11 -7.337 -1.033 -0.287 1.00 1.00 C ATOM 142 CG ARG A 11 -8.327 -1.781 0.616 1.00 1.00 C ATOM 143 CD ARG A 11 -9.442 -2.414 -0.232 1.00 1.00 C ATOM 144 NE ARG A 11 -10.741 -2.178 0.389 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.307 -0.976 0.362 1.00 1.00 C ATOM 146 NH1 ARG A 11 -10.698 0.018 -0.225 1.00 1.00 N ATOM 147 NH2 ARG A 11 -12.471 -0.789 0.920 1.00 1.00 N ATOM 148 H ARG A 11 -5.484 -3.441 0.031 1.00 1.00 H ATOM 149 HA ARG A 11 -7.203 -2.853 -1.419 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.646 -0.473 0.326 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.879 -0.353 -0.926 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.802 -2.555 1.157 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.765 -1.088 1.318 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.439 -1.981 -1.220 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.271 -3.479 -0.310 1.00 1.00 H ATOM 156 HE ARG A 11 -11.204 -2.919 0.833 1.00 1.00 H ATOM 157 HH11 ARG A 11 -9.805 -0.124 -0.653 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.123 0.923 -0.246 1.00 1.00 H ATOM 159 HH21 ARG A 11 -12.937 -1.550 1.370 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.896 0.116 0.899 1.00 1.00 H ATOM 161 N CYS A 12 -4.848 -1.712 -2.801 1.00 1.00 N ATOM 162 CA CYS A 12 -4.216 -1.150 -3.988 1.00 1.00 C ATOM 163 C CYS A 12 -4.614 -1.937 -5.235 1.00 1.00 C ATOM 164 O CYS A 12 -5.497 -2.793 -5.178 1.00 1.00 O ATOM 165 CB CYS A 12 -2.692 -1.177 -3.809 1.00 1.00 C ATOM 166 SG CYS A 12 -2.028 0.473 -4.092 1.00 1.00 S ATOM 167 H CYS A 12 -4.361 -2.370 -2.262 1.00 1.00 H ATOM 168 HA CYS A 12 -4.534 -0.122 -4.103 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.457 -1.486 -2.803 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.246 -1.863 -4.505 1.00 1.00 H HETATM 171 N NH2 A 13 -4.009 -1.696 -6.366 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -3.307 -1.015 -6.411 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.258 -2.197 -7.170 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 8 ATOM 1 N GLY A 1 -4.532 5.692 -0.598 1.00 1.00 N ATOM 2 CA GLY A 1 -3.698 5.547 0.630 1.00 1.00 C ATOM 3 C GLY A 1 -2.225 5.479 0.240 1.00 1.00 C ATOM 4 O GLY A 1 -1.828 5.976 -0.814 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.083 6.372 -1.244 1.00 1.00 H ATOM 6 H2 GLY A 1 -5.478 6.035 -0.336 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.615 4.771 -1.072 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.862 6.397 1.278 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.973 4.641 1.146 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.091 3.043 2.599 1.00 1.00 C HETATM 11 CB 2AG A 2 0.718 4.140 2.051 1.00 1.00 C HETATM 12 CA 2AG A 2 0.012 4.729 0.829 1.00 1.00 C HETATM 13 C 2AG A 2 0.251 3.842 -0.392 1.00 1.00 C HETATM 14 O 2AG A 2 1.386 3.505 -0.711 1.00 1.00 O HETATM 15 N 2AG A 2 -1.418 4.858 1.096 1.00 1.00 N HETATM 16 H1E 2AG A 2 -0.995 3.276 3.137 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.695 3.786 1.769 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.826 4.912 2.801 1.00 1.00 H HETATM 19 HA 2AG A 2 0.419 5.710 0.631 1.00 1.00 H HETATM 20 H 2AG A 2 -1.789 4.481 1.920 1.00 1.00 H ATOM 21 N CYS A 3 -0.835 3.484 -1.066 1.00 1.00 N ATOM 22 CA CYS A 3 -0.776 2.646 -2.267 1.00 1.00 C ATOM 23 C CYS A 3 0.465 2.957 -3.113 1.00 1.00 C ATOM 24 O CYS A 3 0.859 2.157 -3.961 1.00 1.00 O ATOM 25 CB CYS A 3 -2.043 2.898 -3.091 1.00 1.00 C ATOM 26 SG CYS A 3 -3.048 1.403 -3.137 1.00 1.00 S ATOM 27 H CYS A 3 -1.709 3.798 -0.755 1.00 1.00 H ATOM 28 HA CYS A 3 -0.751 1.601 -1.979 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.611 3.688 -2.629 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.780 3.183 -4.098 1.00 1.00 H ATOM 31 N SER A 4 1.071 4.119 -2.886 1.00 1.00 N ATOM 32 CA SER A 4 2.256 4.513 -3.644 1.00 1.00 C ATOM 33 C SER A 4 3.531 3.991 -2.979 1.00 1.00 C ATOM 34 O SER A 4 4.640 4.310 -3.411 1.00 1.00 O ATOM 35 CB SER A 4 2.313 6.040 -3.755 1.00 1.00 C ATOM 36 OG SER A 4 2.597 6.401 -5.102 1.00 1.00 O ATOM 37 H SER A 4 0.714 4.723 -2.203 1.00 1.00 H ATOM 38 HA SER A 4 2.188 4.096 -4.638 1.00 1.00 H ATOM 39 HB2 SER A 4 1.362 6.458 -3.470 1.00 1.00 H ATOM 40 HB3 SER A 4 3.083 6.424 -3.097 1.00 1.00 H ATOM 41 HG SER A 4 1.764 6.453 -5.577 1.00 1.00 H ATOM 42 N ASP A 5 3.367 3.194 -1.925 1.00 1.00 N ATOM 43 CA ASP A 5 4.510 2.638 -1.204 1.00 1.00 C ATOM 44 C ASP A 5 4.469 1.109 -1.224 1.00 1.00 C ATOM 45 O ASP A 5 3.436 0.509 -0.931 1.00 1.00 O ATOM 46 CB ASP A 5 4.486 3.124 0.244 1.00 1.00 C ATOM 47 CG ASP A 5 5.653 2.519 1.016 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.774 2.946 0.789 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.411 1.638 1.824 1.00 1.00 O ATOM 50 H ASP A 5 2.462 2.979 -1.622 1.00 1.00 H ATOM 51 HA ASP A 5 5.421 2.978 -1.664 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.562 4.200 0.258 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.559 2.826 0.705 1.00 1.00 H ATOM 54 N PRO A 6 5.567 0.469 -1.552 1.00 1.00 N ATOM 55 CA PRO A 6 5.617 -1.021 -1.585 1.00 1.00 C ATOM 56 C PRO A 6 5.188 -1.636 -0.253 1.00 1.00 C ATOM 57 O PRO A 6 4.653 -2.745 -0.213 1.00 1.00 O ATOM 58 CB PRO A 6 7.085 -1.322 -1.882 1.00 1.00 C ATOM 59 CG PRO A 6 7.560 -0.160 -2.691 1.00 1.00 C ATOM 60 CD PRO A 6 6.719 1.050 -2.267 1.00 1.00 C ATOM 61 HA PRO A 6 5.002 -1.398 -2.385 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.647 -1.397 -0.960 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.176 -2.232 -2.454 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.609 0.025 -2.492 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.412 -0.353 -3.743 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.291 1.693 -1.611 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.383 1.596 -3.135 1.00 1.00 H ATOM 68 N ARG A 7 5.422 -0.902 0.832 1.00 1.00 N ATOM 69 CA ARG A 7 5.051 -1.376 2.166 1.00 1.00 C ATOM 70 C ARG A 7 3.602 -1.005 2.462 1.00 1.00 C ATOM 71 O ARG A 7 3.132 -1.128 3.594 1.00 1.00 O ATOM 72 CB ARG A 7 5.978 -0.749 3.219 1.00 1.00 C ATOM 73 CG ARG A 7 6.730 -1.843 3.977 1.00 1.00 C ATOM 74 CD ARG A 7 7.625 -1.200 5.036 1.00 1.00 C ATOM 75 NE ARG A 7 8.732 -0.488 4.402 1.00 1.00 N ATOM 76 CZ ARG A 7 8.660 0.813 4.130 1.00 1.00 C ATOM 77 NH1 ARG A 7 7.576 1.485 4.414 1.00 1.00 N ATOM 78 NH2 ARG A 7 9.673 1.419 3.575 1.00 1.00 N ATOM 79 H ARG A 7 5.845 -0.021 0.734 1.00 1.00 H ATOM 80 HA ARG A 7 5.151 -2.452 2.197 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.689 -0.105 2.729 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.394 -0.169 3.919 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.021 -2.504 4.454 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.340 -2.406 3.286 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.043 -0.508 5.624 1.00 1.00 H ATOM 86 HD3 ARG A 7 8.017 -1.969 5.679 1.00 1.00 H ATOM 87 HE ARG A 7 9.551 -0.979 4.178 1.00 1.00 H ATOM 88 HH11 ARG A 7 6.797 1.023 4.837 1.00 1.00 H ATOM 89 HH12 ARG A 7 7.525 2.463 4.208 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.503 0.906 3.355 1.00 1.00 H ATOM 91 HH22 ARG A 7 9.621 2.396 3.370 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.265 1.752 2.442 1.00 1.00 C HETATM 93 CB 2AG A 8 1.473 1.383 1.719 1.00 1.00 C HETATM 94 CA 2AG A 8 1.529 -0.137 1.553 1.00 1.00 C HETATM 95 C 2AG A 8 0.767 -0.555 0.298 1.00 1.00 C HETATM 96 O 2AG A 8 0.054 0.247 -0.305 1.00 1.00 O HETATM 97 N 2AG A 8 2.912 -0.540 1.432 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.351 0.975 2.857 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.337 1.712 2.277 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.470 1.848 0.747 1.00 1.00 H HETATM 101 HA 2AG A 8 1.089 -0.612 2.417 1.00 1.00 H HETATM 102 H 2AG A 8 3.345 -0.461 0.568 1.00 1.00 H ATOM 103 N ALA A 9 0.938 -1.812 -0.092 1.00 1.00 N ATOM 104 CA ALA A 9 0.276 -2.337 -1.286 1.00 1.00 C ATOM 105 C ALA A 9 -1.172 -2.714 -0.983 1.00 1.00 C ATOM 106 O ALA A 9 -1.762 -3.550 -1.665 1.00 1.00 O ATOM 107 CB ALA A 9 1.027 -3.564 -1.804 1.00 1.00 C ATOM 108 H ALA A 9 1.528 -2.396 0.427 1.00 1.00 H ATOM 109 HA ALA A 9 0.283 -1.574 -2.051 1.00 1.00 H ATOM 110 HB1 ALA A 9 2.072 -3.320 -1.928 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.613 -3.864 -2.755 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.927 -4.374 -1.096 1.00 1.00 H ATOM 113 N TRP A 10 -1.731 -2.089 0.041 1.00 1.00 N ATOM 114 CA TRP A 10 -3.105 -2.348 0.436 1.00 1.00 C ATOM 115 C TRP A 10 -4.065 -1.475 -0.362 1.00 1.00 C ATOM 116 O TRP A 10 -3.639 -0.559 -1.066 1.00 1.00 O ATOM 117 CB TRP A 10 -3.258 -2.044 1.915 1.00 1.00 C ATOM 118 CG TRP A 10 -3.349 -0.567 2.107 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.379 0.323 1.810 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.465 0.202 2.613 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.816 1.588 2.142 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.099 1.565 2.640 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.740 -0.157 3.060 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -4.970 2.543 3.098 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.632 0.825 3.521 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.246 2.176 3.545 1.00 1.00 C ATOM 127 H TRP A 10 -1.209 -1.435 0.544 1.00 1.00 H ATOM 128 HA TRP A 10 -3.342 -3.385 0.266 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.152 -2.512 2.286 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.401 -2.424 2.451 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.418 0.087 1.394 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.296 2.413 2.041 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.040 -1.197 3.030 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.657 3.574 3.113 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.616 0.541 3.865 1.00 1.00 H ATOM 136 HH2 TRP A 10 -6.932 2.929 3.899 1.00 1.00 H ATOM 137 N ARG A 11 -5.363 -1.760 -0.248 1.00 1.00 N ATOM 138 CA ARG A 11 -6.371 -0.988 -0.969 1.00 1.00 C ATOM 139 C ARG A 11 -5.867 -0.672 -2.369 1.00 1.00 C ATOM 140 O ARG A 11 -6.331 0.260 -3.027 1.00 1.00 O ATOM 141 CB ARG A 11 -6.680 0.308 -0.211 1.00 1.00 C ATOM 142 CG ARG A 11 -7.798 1.081 -0.925 1.00 1.00 C ATOM 143 CD ARG A 11 -8.613 1.873 0.101 1.00 1.00 C ATOM 144 NE ARG A 11 -9.383 2.917 -0.563 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.012 3.855 0.137 1.00 1.00 C ATOM 146 NH1 ARG A 11 -9.943 3.851 1.440 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.699 4.781 -0.477 1.00 1.00 N ATOM 148 H ARG A 11 -5.643 -2.500 0.330 1.00 1.00 H ATOM 149 HA ARG A 11 -7.271 -1.576 -1.046 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.994 0.065 0.795 1.00 1.00 H ATOM 151 HB3 ARG A 11 -5.791 0.921 -0.170 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.363 1.765 -1.640 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.448 0.388 -1.437 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.287 1.204 0.614 1.00 1.00 H ATOM 155 HD3 ARG A 11 -7.942 2.323 0.820 1.00 1.00 H ATOM 156 HE ARG A 11 -9.438 2.927 -1.541 1.00 1.00 H ATOM 157 HH11 ARG A 11 -9.417 3.143 1.910 1.00 1.00 H ATOM 158 HH12 ARG A 11 -10.417 4.557 1.969 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.751 4.785 -1.475 1.00 1.00 H ATOM 160 HH22 ARG A 11 -11.171 5.486 0.051 1.00 1.00 H ATOM 161 N CYS A 12 -4.898 -1.463 -2.801 1.00 1.00 N ATOM 162 CA CYS A 12 -4.285 -1.294 -4.112 1.00 1.00 C ATOM 163 C CYS A 12 -4.838 -2.321 -5.101 1.00 1.00 C ATOM 164 O CYS A 12 -4.196 -2.629 -6.105 1.00 1.00 O ATOM 165 CB CYS A 12 -2.768 -1.455 -3.970 1.00 1.00 C ATOM 166 SG CYS A 12 -1.967 0.134 -4.267 1.00 1.00 S ATOM 167 H CYS A 12 -4.574 -2.176 -2.212 1.00 1.00 H ATOM 168 HA CYS A 12 -4.501 -0.300 -4.480 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.536 -1.787 -2.970 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.406 -2.177 -4.675 1.00 1.00 H HETATM 171 N NH2 A 13 -6.000 -2.869 -4.874 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -6.509 -2.623 -4.074 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -6.363 -3.526 -5.504 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 9 ATOM 1 N GLY A 1 -2.522 8.191 1.460 1.00 1.00 N ATOM 2 CA GLY A 1 -2.512 7.299 0.266 1.00 1.00 C ATOM 3 C GLY A 1 -1.129 6.681 0.105 1.00 1.00 C ATOM 4 O GLY A 1 -0.325 7.137 -0.708 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.472 8.594 1.583 1.00 1.00 H ATOM 6 H2 GLY A 1 -1.833 8.958 1.324 1.00 1.00 H ATOM 7 H3 GLY A 1 -2.269 7.641 2.305 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.246 6.516 0.396 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.750 7.874 -0.615 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.257 3.215 2.386 1.00 1.00 C HETATM 11 CB 2AG A 2 0.735 4.272 2.152 1.00 1.00 C HETATM 12 CA 2AG A 2 0.440 4.970 0.822 1.00 1.00 C HETATM 13 C 2AG A 2 0.465 3.964 -0.328 1.00 1.00 C HETATM 14 O 2AG A 2 1.500 3.373 -0.624 1.00 1.00 O HETATM 15 N 2AG A 2 -0.854 5.640 0.887 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.265 3.491 2.648 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.730 3.860 2.128 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.676 4.998 2.950 1.00 1.00 H HETATM 19 HA 2AG A 2 1.202 5.712 0.644 1.00 1.00 H HETATM 20 H 2AG A 2 -1.532 5.319 1.519 1.00 1.00 H ATOM 21 N CYS A 3 -0.677 3.796 -0.984 1.00 1.00 N ATOM 22 CA CYS A 3 -0.778 2.881 -2.120 1.00 1.00 C ATOM 23 C CYS A 3 0.417 3.038 -3.062 1.00 1.00 C ATOM 24 O CYS A 3 0.640 2.201 -3.936 1.00 1.00 O ATOM 25 CB CYS A 3 -2.093 3.138 -2.861 1.00 1.00 C ATOM 26 SG CYS A 3 -3.087 1.638 -2.852 1.00 1.00 S ATOM 27 H CYS A 3 -1.464 4.311 -0.711 1.00 1.00 H ATOM 28 HA CYS A 3 -0.787 1.862 -1.752 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.635 3.921 -2.354 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.898 3.429 -3.881 1.00 1.00 H ATOM 31 N SER A 4 1.193 4.102 -2.868 1.00 1.00 N ATOM 32 CA SER A 4 2.372 4.337 -3.696 1.00 1.00 C ATOM 33 C SER A 4 3.569 3.587 -3.116 1.00 1.00 C ATOM 34 O SER A 4 4.481 3.188 -3.840 1.00 1.00 O ATOM 35 CB SER A 4 2.680 5.832 -3.759 1.00 1.00 C ATOM 36 OG SER A 4 1.471 6.552 -3.958 1.00 1.00 O ATOM 37 H SER A 4 0.978 4.730 -2.148 1.00 1.00 H ATOM 38 HA SER A 4 2.180 3.974 -4.696 1.00 1.00 H ATOM 39 HB2 SER A 4 3.132 6.149 -2.834 1.00 1.00 H ATOM 40 HB3 SER A 4 3.364 6.024 -4.575 1.00 1.00 H ATOM 41 HG SER A 4 0.855 5.975 -4.417 1.00 1.00 H ATOM 42 N ASP A 5 3.548 3.401 -1.799 1.00 1.00 N ATOM 43 CA ASP A 5 4.621 2.697 -1.105 1.00 1.00 C ATOM 44 C ASP A 5 4.396 1.183 -1.165 1.00 1.00 C ATOM 45 O ASP A 5 3.312 0.703 -0.837 1.00 1.00 O ATOM 46 CB ASP A 5 4.661 3.152 0.359 1.00 1.00 C ATOM 47 CG ASP A 5 5.604 2.264 1.162 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.526 1.726 0.570 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.393 2.136 2.356 1.00 1.00 O ATOM 50 H ASP A 5 2.791 3.743 -1.283 1.00 1.00 H ATOM 51 HA ASP A 5 5.561 2.942 -1.567 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.006 4.175 0.405 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.665 3.092 0.781 1.00 1.00 H ATOM 54 N PRO A 6 5.390 0.424 -1.566 1.00 1.00 N ATOM 55 CA PRO A 6 5.251 -1.061 -1.640 1.00 1.00 C ATOM 56 C PRO A 6 4.840 -1.665 -0.298 1.00 1.00 C ATOM 57 O PRO A 6 4.178 -2.700 -0.249 1.00 1.00 O ATOM 58 CB PRO A 6 6.645 -1.528 -2.051 1.00 1.00 C ATOM 59 CG PRO A 6 7.202 -0.410 -2.866 1.00 1.00 C ATOM 60 CD PRO A 6 6.567 0.880 -2.334 1.00 1.00 C ATOM 61 HA PRO A 6 4.540 -1.330 -2.404 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.256 -1.700 -1.174 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.582 -2.427 -2.647 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.278 -0.372 -2.756 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.940 -0.541 -3.905 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.262 1.405 -1.691 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.254 1.512 -3.153 1.00 1.00 H ATOM 68 N ARG A 7 5.236 -1.004 0.785 1.00 1.00 N ATOM 69 CA ARG A 7 4.902 -1.478 2.126 1.00 1.00 C ATOM 70 C ARG A 7 3.451 -1.139 2.448 1.00 1.00 C ATOM 71 O ARG A 7 2.929 -1.500 3.502 1.00 1.00 O ATOM 72 CB ARG A 7 5.831 -0.816 3.152 1.00 1.00 C ATOM 73 CG ARG A 7 6.083 -1.769 4.325 1.00 1.00 C ATOM 74 CD ARG A 7 7.102 -1.142 5.278 1.00 1.00 C ATOM 75 NE ARG A 7 7.111 -1.853 6.551 1.00 1.00 N ATOM 76 CZ ARG A 7 7.949 -1.511 7.524 1.00 1.00 C ATOM 77 NH1 ARG A 7 8.785 -0.525 7.348 1.00 1.00 N ATOM 78 NH2 ARG A 7 7.937 -2.162 8.655 1.00 1.00 N ATOM 79 H ARG A 7 5.758 -0.179 0.681 1.00 1.00 H ATOM 80 HA ARG A 7 5.033 -2.549 2.164 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.770 -0.575 2.677 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.375 0.091 3.521 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.157 -1.945 4.851 1.00 1.00 H ATOM 84 HG3 ARG A 7 6.471 -2.706 3.954 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.085 -1.194 4.836 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.843 -0.106 5.447 1.00 1.00 H ATOM 87 HE ARG A 7 6.487 -2.596 6.693 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.794 -0.026 6.481 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.416 -0.266 8.079 1.00 1.00 H ATOM 90 HH21 ARG A 7 7.297 -2.918 8.790 1.00 1.00 H ATOM 91 HH22 ARG A 7 8.569 -1.904 9.388 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.061 1.907 2.280 1.00 1.00 C HETATM 93 CB 2AG A 8 1.409 1.487 1.926 1.00 1.00 C HETATM 94 CA 2AG A 8 1.437 -0.019 1.669 1.00 1.00 C HETATM 95 C 2AG A 8 0.671 -0.345 0.387 1.00 1.00 C HETATM 96 O 2AG A 8 -0.113 0.466 -0.104 1.00 1.00 O HETATM 97 N 2AG A 8 2.817 -0.434 1.521 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.689 1.163 2.465 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.083 1.724 2.735 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.725 1.998 1.033 1.00 1.00 H HETATM 101 HA 2AG A 8 0.986 -0.537 2.503 1.00 1.00 H HETATM 102 H 2AG A 8 3.295 -0.176 0.714 1.00 1.00 H ATOM 103 N ALA A 9 0.923 -1.534 -0.154 1.00 1.00 N ATOM 104 CA ALA A 9 0.271 -1.967 -1.392 1.00 1.00 C ATOM 105 C ALA A 9 -1.103 -2.569 -1.107 1.00 1.00 C ATOM 106 O ALA A 9 -1.600 -3.399 -1.866 1.00 1.00 O ATOM 107 CB ALA A 9 1.143 -3.003 -2.104 1.00 1.00 C ATOM 108 H ALA A 9 1.568 -2.128 0.280 1.00 1.00 H ATOM 109 HA ALA A 9 0.150 -1.113 -2.040 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.580 -3.458 -2.905 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.447 -3.763 -1.399 1.00 1.00 H ATOM 112 HB3 ALA A 9 2.019 -2.519 -2.509 1.00 1.00 H ATOM 113 N TRP A 10 -1.705 -2.138 -0.009 1.00 1.00 N ATOM 114 CA TRP A 10 -3.021 -2.623 0.386 1.00 1.00 C ATOM 115 C TRP A 10 -4.125 -1.866 -0.343 1.00 1.00 C ATOM 116 O TRP A 10 -3.884 -0.797 -0.905 1.00 1.00 O ATOM 117 CB TRP A 10 -3.187 -2.413 1.878 1.00 1.00 C ATOM 118 CG TRP A 10 -3.485 -0.973 2.129 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.652 0.057 1.864 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.698 -0.389 2.657 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.262 1.233 2.242 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.528 1.010 2.735 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.910 -0.938 3.087 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.525 1.839 3.225 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.931 -0.108 3.580 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.736 1.283 3.653 1.00 1.00 C ATOM 127 H TRP A 10 -1.257 -1.479 0.553 1.00 1.00 H ATOM 128 HA TRP A 10 -3.103 -3.675 0.169 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.000 -3.021 2.238 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.276 -2.688 2.387 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.668 -0.025 1.440 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.865 2.126 2.174 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.061 -2.007 3.018 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.359 2.904 3.277 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.864 -0.539 3.910 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.521 1.920 4.033 1.00 1.00 H ATOM 137 N ARG A 11 -5.339 -2.419 -0.316 1.00 1.00 N ATOM 138 CA ARG A 11 -6.480 -1.782 -0.972 1.00 1.00 C ATOM 139 C ARG A 11 -6.039 -1.152 -2.284 1.00 1.00 C ATOM 140 O ARG A 11 -6.698 -0.269 -2.831 1.00 1.00 O ATOM 141 CB ARG A 11 -7.081 -0.715 -0.051 1.00 1.00 C ATOM 142 CG ARG A 11 -8.271 -0.036 -0.743 1.00 1.00 C ATOM 143 CD ARG A 11 -9.316 0.366 0.300 1.00 1.00 C ATOM 144 NE ARG A 11 -8.743 1.313 1.249 1.00 1.00 N ATOM 145 CZ ARG A 11 -8.447 2.556 0.885 1.00 1.00 C ATOM 146 NH1 ARG A 11 -8.669 2.949 -0.339 1.00 1.00 N ATOM 147 NH2 ARG A 11 -7.932 3.385 1.753 1.00 1.00 N ATOM 148 H ARG A 11 -5.470 -3.267 0.158 1.00 1.00 H ATOM 149 HA ARG A 11 -7.227 -2.531 -1.179 1.00 1.00 H ATOM 150 HB2 ARG A 11 -7.414 -1.183 0.865 1.00 1.00 H ATOM 151 HB3 ARG A 11 -6.330 0.026 0.178 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.927 0.846 -1.263 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.718 -0.719 -1.451 1.00 1.00 H ATOM 154 HD2 ARG A 11 -10.158 0.825 -0.195 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.652 -0.515 0.828 1.00 1.00 H ATOM 156 HE ARG A 11 -8.571 1.026 2.171 1.00 1.00 H ATOM 157 HH11 ARG A 11 -9.063 2.313 -1.003 1.00 1.00 H ATOM 158 HH12 ARG A 11 -8.446 3.885 -0.612 1.00 1.00 H ATOM 159 HH21 ARG A 11 -7.762 3.085 2.691 1.00 1.00 H ATOM 160 HH22 ARG A 11 -7.709 4.321 1.479 1.00 1.00 H ATOM 161 N CYS A 12 -4.903 -1.623 -2.767 1.00 1.00 N ATOM 162 CA CYS A 12 -4.324 -1.125 -4.009 1.00 1.00 C ATOM 163 C CYS A 12 -4.787 -1.969 -5.195 1.00 1.00 C ATOM 164 O CYS A 12 -4.647 -1.557 -6.347 1.00 1.00 O ATOM 165 CB CYS A 12 -2.794 -1.160 -3.899 1.00 1.00 C ATOM 166 SG CYS A 12 -2.137 0.488 -4.207 1.00 1.00 S ATOM 167 H CYS A 12 -4.435 -2.323 -2.263 1.00 1.00 H ATOM 168 HA CYS A 12 -4.638 -0.099 -4.161 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.515 -1.474 -2.906 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.384 -1.846 -4.617 1.00 1.00 H HETATM 171 N NH2 A 13 -5.333 -3.133 -4.979 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.443 -3.460 -4.062 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.632 -3.682 -5.733 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 10 ATOM 1 N GLY A 1 -2.799 7.846 -1.192 1.00 1.00 N ATOM 2 CA GLY A 1 -2.293 7.511 0.168 1.00 1.00 C ATOM 3 C GLY A 1 -0.925 6.852 0.050 1.00 1.00 C ATOM 4 O GLY A 1 -0.112 7.235 -0.791 1.00 1.00 O ATOM 5 H1 GLY A 1 -2.197 8.583 -1.614 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.776 8.194 -1.123 1.00 1.00 H ATOM 7 H3 GLY A 1 -2.773 6.996 -1.792 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.211 8.415 0.756 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.977 6.829 0.650 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.229 3.402 2.380 1.00 1.00 C HETATM 11 CB 2AG A 2 0.806 4.430 2.211 1.00 1.00 C HETATM 12 CA 2AG A 2 0.593 5.146 0.878 1.00 1.00 C HETATM 13 C 2AG A 2 0.621 4.142 -0.268 1.00 1.00 C HETATM 14 O 2AG A 2 1.662 3.580 -0.588 1.00 1.00 O HETATM 15 N 2AG A 2 -0.680 5.858 0.897 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.233 3.708 2.612 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.786 3.988 2.230 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.726 5.149 3.014 1.00 1.00 H HETATM 19 HA 2AG A 2 1.387 5.860 0.734 1.00 1.00 H HETATM 20 H 2AG A 2 -1.368 5.596 1.545 1.00 1.00 H ATOM 21 N CYS A 3 -0.534 3.940 -0.889 1.00 1.00 N ATOM 22 CA CYS A 3 -0.650 3.018 -2.016 1.00 1.00 C ATOM 23 C CYS A 3 0.503 3.197 -3.005 1.00 1.00 C ATOM 24 O CYS A 3 0.704 2.365 -3.888 1.00 1.00 O ATOM 25 CB CYS A 3 -2.002 3.237 -2.705 1.00 1.00 C ATOM 26 SG CYS A 3 -2.953 1.709 -2.652 1.00 1.00 S ATOM 27 H CYS A 3 -1.324 4.433 -0.589 1.00 1.00 H ATOM 28 HA CYS A 3 -0.620 2.001 -1.646 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.545 4.004 -2.175 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.858 3.532 -3.732 1.00 1.00 H ATOM 31 N SER A 4 1.274 4.272 -2.840 1.00 1.00 N ATOM 32 CA SER A 4 2.418 4.521 -3.716 1.00 1.00 C ATOM 33 C SER A 4 3.664 3.862 -3.132 1.00 1.00 C ATOM 34 O SER A 4 4.745 3.914 -3.717 1.00 1.00 O ATOM 35 CB SER A 4 2.654 6.025 -3.868 1.00 1.00 C ATOM 36 OG SER A 4 1.814 6.533 -4.898 1.00 1.00 O ATOM 37 H SER A 4 1.082 4.896 -2.109 1.00 1.00 H ATOM 38 HA SER A 4 2.219 4.096 -4.689 1.00 1.00 H ATOM 39 HB2 SER A 4 2.420 6.524 -2.941 1.00 1.00 H ATOM 40 HB3 SER A 4 3.693 6.204 -4.116 1.00 1.00 H ATOM 41 HG SER A 4 2.244 6.366 -5.741 1.00 1.00 H ATOM 42 N ASP A 5 3.490 3.247 -1.967 1.00 1.00 N ATOM 43 CA ASP A 5 4.581 2.573 -1.273 1.00 1.00 C ATOM 44 C ASP A 5 4.357 1.056 -1.279 1.00 1.00 C ATOM 45 O ASP A 5 3.279 0.586 -0.916 1.00 1.00 O ATOM 46 CB ASP A 5 4.647 3.079 0.171 1.00 1.00 C ATOM 47 CG ASP A 5 5.591 2.206 0.994 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.420 1.537 0.399 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.470 2.219 2.210 1.00 1.00 O ATOM 50 H ASP A 5 2.602 3.251 -1.558 1.00 1.00 H ATOM 51 HA ASP A 5 5.511 2.802 -1.764 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.007 4.096 0.172 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.658 3.052 0.609 1.00 1.00 H ATOM 54 N PRO A 6 5.342 0.285 -1.677 1.00 1.00 N ATOM 55 CA PRO A 6 5.203 -1.202 -1.705 1.00 1.00 C ATOM 56 C PRO A 6 4.781 -1.775 -0.353 1.00 1.00 C ATOM 57 O PRO A 6 4.158 -2.834 -0.288 1.00 1.00 O ATOM 58 CB PRO A 6 6.600 -1.683 -2.090 1.00 1.00 C ATOM 59 CG PRO A 6 7.156 -0.595 -2.946 1.00 1.00 C ATOM 60 CD PRO A 6 6.521 0.715 -2.460 1.00 1.00 C ATOM 61 HA PRO A 6 4.500 -1.494 -2.468 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.209 -1.818 -1.205 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.543 -2.604 -2.651 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.233 -0.553 -2.840 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.891 -0.764 -3.978 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.215 1.259 -1.834 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.212 1.317 -3.300 1.00 1.00 H ATOM 68 N ARG A 7 5.128 -1.073 0.722 1.00 1.00 N ATOM 69 CA ARG A 7 4.778 -1.529 2.066 1.00 1.00 C ATOM 70 C ARG A 7 3.339 -1.156 2.392 1.00 1.00 C ATOM 71 O ARG A 7 2.781 -1.600 3.395 1.00 1.00 O ATOM 72 CB ARG A 7 5.722 -0.897 3.094 1.00 1.00 C ATOM 73 CG ARG A 7 5.835 -1.806 4.327 1.00 1.00 C ATOM 74 CD ARG A 7 6.922 -2.858 4.094 1.00 1.00 C ATOM 75 NE ARG A 7 6.705 -4.007 4.964 1.00 1.00 N ATOM 76 CZ ARG A 7 7.080 -3.981 6.238 1.00 1.00 C ATOM 77 NH1 ARG A 7 7.641 -2.909 6.729 1.00 1.00 N ATOM 78 NH2 ARG A 7 6.886 -5.025 6.996 1.00 1.00 N ATOM 79 H ARG A 7 5.624 -0.233 0.612 1.00 1.00 H ATOM 80 HA ARG A 7 4.880 -2.603 2.109 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.698 -0.767 2.650 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.337 0.066 3.396 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.091 -1.209 5.190 1.00 1.00 H ATOM 84 HG3 ARG A 7 4.889 -2.299 4.500 1.00 1.00 H ATOM 85 HD2 ARG A 7 6.895 -3.183 3.065 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.887 -2.425 4.305 1.00 1.00 H ATOM 87 HE ARG A 7 6.280 -4.812 4.602 1.00 1.00 H ATOM 88 HH11 ARG A 7 7.787 -2.110 6.146 1.00 1.00 H ATOM 89 HH12 ARG A 7 7.924 -2.887 7.687 1.00 1.00 H ATOM 90 HH21 ARG A 7 6.455 -5.844 6.616 1.00 1.00 H ATOM 91 HH22 ARG A 7 7.169 -5.006 7.954 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.043 2.088 2.243 1.00 1.00 C HETATM 93 CB 2AG A 8 1.386 1.626 1.921 1.00 1.00 C HETATM 94 CA 2AG A 8 1.383 0.114 1.706 1.00 1.00 C HETATM 95 C 2AG A 8 0.573 -0.241 0.464 1.00 1.00 C HETATM 96 O 2AG A 8 -0.259 0.539 0.003 1.00 1.00 O HETATM 97 N 2AG A 8 2.752 -0.335 1.532 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.744 1.369 2.374 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.052 1.867 2.734 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.729 2.106 1.020 1.00 1.00 H HETATM 101 HA 2AG A 8 0.949 -0.370 2.568 1.00 1.00 H HETATM 102 H 2AG A 8 3.251 -0.017 0.758 1.00 1.00 H ATOM 103 N ALA A 9 0.842 -1.426 -0.080 1.00 1.00 N ATOM 104 CA ALA A 9 0.156 -1.896 -1.282 1.00 1.00 C ATOM 105 C ALA A 9 -1.163 -2.583 -0.933 1.00 1.00 C ATOM 106 O ALA A 9 -1.567 -3.546 -1.585 1.00 1.00 O ATOM 107 CB ALA A 9 1.055 -2.872 -2.040 1.00 1.00 C ATOM 108 H ALA A 9 1.526 -1.991 0.332 1.00 1.00 H ATOM 109 HA ALA A 9 -0.051 -1.050 -1.919 1.00 1.00 H ATOM 110 HB1 ALA A 9 1.327 -3.690 -1.390 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.948 -2.359 -2.365 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.527 -3.255 -2.900 1.00 1.00 H ATOM 113 N TRP A 10 -1.830 -2.075 0.091 1.00 1.00 N ATOM 114 CA TRP A 10 -3.104 -2.626 0.524 1.00 1.00 C ATOM 115 C TRP A 10 -4.250 -2.019 -0.273 1.00 1.00 C ATOM 116 O TRP A 10 -4.155 -0.886 -0.744 1.00 1.00 O ATOM 117 CB TRP A 10 -3.300 -2.316 1.995 1.00 1.00 C ATOM 118 CG TRP A 10 -3.574 -0.857 2.158 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.682 0.140 1.951 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.815 -0.217 2.541 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.293 1.346 2.212 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.609 1.179 2.576 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.085 -0.712 2.866 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.623 2.057 2.924 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.121 0.172 3.217 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.888 1.557 3.249 1.00 1.00 C ATOM 127 H TRP A 10 -1.462 -1.310 0.566 1.00 1.00 H ATOM 128 HA TRP A 10 -3.103 -3.695 0.390 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.134 -2.883 2.371 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.410 -2.579 2.540 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.663 0.016 1.644 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.864 2.225 2.149 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.266 -1.779 2.832 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.429 3.118 2.946 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.098 -0.216 3.468 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.684 2.233 3.519 1.00 1.00 H ATOM 137 N ARG A 11 -5.332 -2.779 -0.414 1.00 1.00 N ATOM 138 CA ARG A 11 -6.498 -2.309 -1.160 1.00 1.00 C ATOM 139 C ARG A 11 -6.051 -1.524 -2.388 1.00 1.00 C ATOM 140 O ARG A 11 -6.810 -0.744 -2.963 1.00 1.00 O ATOM 141 CB ARG A 11 -7.373 -1.426 -0.263 1.00 1.00 C ATOM 142 CG ARG A 11 -8.283 -2.308 0.603 1.00 1.00 C ATOM 143 CD ARG A 11 -9.540 -2.694 -0.187 1.00 1.00 C ATOM 144 NE ARG A 11 -10.018 -4.008 0.233 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.651 -4.173 1.390 1.00 1.00 C ATOM 146 NH1 ARG A 11 -10.840 -3.154 2.184 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.081 -5.357 1.732 1.00 1.00 N ATOM 148 H ARG A 11 -5.346 -3.671 -0.009 1.00 1.00 H ATOM 149 HA ARG A 11 -7.069 -3.163 -1.483 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.739 -0.827 0.375 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.981 -0.776 -0.874 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.749 -3.204 0.889 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.570 -1.765 1.490 1.00 1.00 H ATOM 154 HD2 ARG A 11 -10.313 -1.962 -0.007 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.311 -2.716 -1.243 1.00 1.00 H ATOM 156 HE ARG A 11 -9.875 -4.781 -0.351 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.508 -2.248 1.921 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.316 -3.279 3.054 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.933 -6.137 1.124 1.00 1.00 H ATOM 160 HH22 ARG A 11 -11.558 -5.484 2.602 1.00 1.00 H ATOM 161 N CYS A 12 -4.801 -1.743 -2.764 1.00 1.00 N ATOM 162 CA CYS A 12 -4.206 -1.067 -3.911 1.00 1.00 C ATOM 163 C CYS A 12 -4.601 -1.764 -5.210 1.00 1.00 C ATOM 164 O CYS A 12 -4.490 -1.182 -6.290 1.00 1.00 O ATOM 165 CB CYS A 12 -2.681 -1.065 -3.758 1.00 1.00 C ATOM 166 SG CYS A 12 -2.051 0.593 -4.066 1.00 1.00 S ATOM 167 H CYS A 12 -4.262 -2.375 -2.246 1.00 1.00 H ATOM 168 HA CYS A 12 -4.554 -0.042 -3.939 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.423 -1.362 -2.755 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.235 -1.748 -4.458 1.00 1.00 H HETATM 171 N NH2 A 13 -5.061 -2.984 -5.169 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.149 -3.446 -4.309 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.319 -3.439 -5.998 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 11 ATOM 1 N GLY A 1 -2.126 8.700 1.234 1.00 1.00 N ATOM 2 CA GLY A 1 -2.249 7.518 0.333 1.00 1.00 C ATOM 3 C GLY A 1 -0.888 6.846 0.189 1.00 1.00 C ATOM 4 O GLY A 1 -0.033 7.313 -0.564 1.00 1.00 O ATOM 5 H1 GLY A 1 -1.967 9.555 0.665 1.00 1.00 H ATOM 6 H2 GLY A 1 -1.324 8.558 1.881 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.002 8.809 1.784 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.957 6.817 0.752 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.592 7.841 -0.639 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.182 3.286 2.407 1.00 1.00 C HETATM 11 CB 2AG A 2 0.835 4.321 2.190 1.00 1.00 C HETATM 12 CA 2AG A 2 0.574 5.027 0.857 1.00 1.00 C HETATM 13 C 2AG A 2 0.563 4.015 -0.287 1.00 1.00 C HETATM 14 O 2AG A 2 1.581 3.405 -0.596 1.00 1.00 O HETATM 15 N 2AG A 2 -0.692 5.749 0.915 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.185 3.583 2.665 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.821 3.888 2.180 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.780 5.048 2.989 1.00 1.00 H HETATM 19 HA 2AG A 2 1.367 5.735 0.680 1.00 1.00 H HETATM 20 H 2AG A 2 -1.409 5.423 1.498 1.00 1.00 H ATOM 21 N CYS A 3 -0.590 3.865 -0.927 1.00 1.00 N ATOM 22 CA CYS A 3 -0.720 2.947 -2.058 1.00 1.00 C ATOM 23 C CYS A 3 0.433 3.122 -3.048 1.00 1.00 C ATOM 24 O CYS A 3 0.596 2.321 -3.967 1.00 1.00 O ATOM 25 CB CYS A 3 -2.069 3.177 -2.745 1.00 1.00 C ATOM 26 SG CYS A 3 -3.031 1.656 -2.695 1.00 1.00 S ATOM 27 H CYS A 3 -1.363 4.395 -0.647 1.00 1.00 H ATOM 28 HA CYS A 3 -0.696 1.930 -1.689 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.606 3.945 -2.214 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.923 3.473 -3.772 1.00 1.00 H ATOM 31 N SER A 4 1.245 4.155 -2.839 1.00 1.00 N ATOM 32 CA SER A 4 2.392 4.402 -3.706 1.00 1.00 C ATOM 33 C SER A 4 3.621 3.690 -3.145 1.00 1.00 C ATOM 34 O SER A 4 4.592 3.437 -3.857 1.00 1.00 O ATOM 35 CB SER A 4 2.664 5.904 -3.803 1.00 1.00 C ATOM 36 OG SER A 4 1.428 6.601 -3.875 1.00 1.00 O ATOM 37 H SER A 4 1.078 4.753 -2.082 1.00 1.00 H ATOM 38 HA SER A 4 2.181 4.018 -4.694 1.00 1.00 H ATOM 39 HB2 SER A 4 3.206 6.233 -2.932 1.00 1.00 H ATOM 40 HB3 SER A 4 3.255 6.106 -4.688 1.00 1.00 H ATOM 41 HG SER A 4 1.594 7.523 -3.664 1.00 1.00 H ATOM 42 N ASP A 5 3.556 3.368 -1.855 1.00 1.00 N ATOM 43 CA ASP A 5 4.646 2.681 -1.171 1.00 1.00 C ATOM 44 C ASP A 5 4.435 1.163 -1.223 1.00 1.00 C ATOM 45 O ASP A 5 3.353 0.675 -0.896 1.00 1.00 O ATOM 46 CB ASP A 5 4.698 3.140 0.291 1.00 1.00 C ATOM 47 CG ASP A 5 5.604 2.219 1.102 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.648 1.849 0.591 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.239 1.898 2.222 1.00 1.00 O ATOM 50 H ASP A 5 2.751 3.598 -1.350 1.00 1.00 H ATOM 51 HA ASP A 5 5.578 2.933 -1.647 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.083 4.149 0.334 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.700 3.120 0.709 1.00 1.00 H ATOM 54 N PRO A 6 5.435 0.411 -1.618 1.00 1.00 N ATOM 55 CA PRO A 6 5.309 -1.075 -1.686 1.00 1.00 C ATOM 56 C PRO A 6 4.906 -1.685 -0.345 1.00 1.00 C ATOM 57 O PRO A 6 4.303 -2.757 -0.296 1.00 1.00 O ATOM 58 CB PRO A 6 6.707 -1.532 -2.100 1.00 1.00 C ATOM 59 CG PRO A 6 7.250 -0.412 -2.921 1.00 1.00 C ATOM 60 CD PRO A 6 6.602 0.875 -2.397 1.00 1.00 C ATOM 61 HA PRO A 6 4.600 -1.352 -2.449 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.323 -1.694 -1.224 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.650 -2.433 -2.692 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.326 -0.361 -2.813 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.990 -0.552 -3.959 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.294 1.413 -1.762 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.278 1.495 -3.218 1.00 1.00 H ATOM 68 N ARG A 7 5.243 -0.995 0.741 1.00 1.00 N ATOM 69 CA ARG A 7 4.910 -1.479 2.079 1.00 1.00 C ATOM 70 C ARG A 7 3.474 -1.101 2.433 1.00 1.00 C ATOM 71 O ARG A 7 2.985 -1.410 3.520 1.00 1.00 O ATOM 72 CB ARG A 7 5.881 -0.875 3.108 1.00 1.00 C ATOM 73 CG ARG A 7 6.572 -1.994 3.896 1.00 1.00 C ATOM 74 CD ARG A 7 7.422 -1.393 5.022 1.00 1.00 C ATOM 75 NE ARG A 7 6.777 -1.613 6.312 1.00 1.00 N ATOM 76 CZ ARG A 7 6.829 -2.798 6.912 1.00 1.00 C ATOM 77 NH1 ARG A 7 7.461 -3.789 6.345 1.00 1.00 N ATOM 78 NH2 ARG A 7 6.246 -2.971 8.066 1.00 1.00 N ATOM 79 H ARG A 7 5.723 -0.144 0.642 1.00 1.00 H ATOM 80 HA ARG A 7 5.002 -2.555 2.095 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.628 -0.289 2.591 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.340 -0.239 3.792 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.823 -2.646 4.322 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.205 -2.563 3.231 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.394 -1.863 5.029 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.544 -0.331 4.858 1.00 1.00 H ATOM 87 HE ARG A 7 6.299 -0.875 6.743 1.00 1.00 H ATOM 88 HH11 ARG A 7 7.906 -3.658 5.460 1.00 1.00 H ATOM 89 HH12 ARG A 7 7.500 -4.681 6.797 1.00 1.00 H ATOM 90 HH21 ARG A 7 5.760 -2.211 8.500 1.00 1.00 H ATOM 91 HH22 ARG A 7 6.284 -3.862 8.517 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.105 1.973 2.290 1.00 1.00 C HETATM 93 CB 2AG A 8 1.445 1.521 1.941 1.00 1.00 C HETATM 94 CA 2AG A 8 1.442 0.013 1.694 1.00 1.00 C HETATM 95 C 2AG A 8 0.625 -0.315 0.445 1.00 1.00 C HETATM 96 O 2AG A 8 -0.165 0.500 -0.026 1.00 1.00 O HETATM 97 N 2AG A 8 2.812 -0.424 1.502 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.665 1.249 2.460 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.122 1.749 2.750 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.774 2.021 1.047 1.00 1.00 H HETATM 101 HA 2AG A 8 1.014 -0.491 2.548 1.00 1.00 H HETATM 102 H 2AG A 8 3.256 -0.204 0.665 1.00 1.00 H ATOM 103 N ALA A 9 0.839 -1.516 -0.094 1.00 1.00 N ATOM 104 CA ALA A 9 0.135 -1.951 -1.301 1.00 1.00 C ATOM 105 C ALA A 9 -1.195 -2.614 -0.950 1.00 1.00 C ATOM 106 O ALA A 9 -1.588 -3.606 -1.563 1.00 1.00 O ATOM 107 CB ALA A 9 1.004 -2.935 -2.083 1.00 1.00 C ATOM 108 H ALA A 9 1.491 -2.116 0.322 1.00 1.00 H ATOM 109 HA ALA A 9 -0.059 -1.090 -1.923 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.624 -3.030 -3.090 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.982 -3.900 -1.598 1.00 1.00 H ATOM 112 HB3 ALA A 9 2.021 -2.571 -2.115 1.00 1.00 H ATOM 113 N TRP A 10 -1.878 -2.054 0.037 1.00 1.00 N ATOM 114 CA TRP A 10 -3.163 -2.575 0.478 1.00 1.00 C ATOM 115 C TRP A 10 -4.299 -1.924 -0.300 1.00 1.00 C ATOM 116 O TRP A 10 -4.154 -0.808 -0.800 1.00 1.00 O ATOM 117 CB TRP A 10 -3.334 -2.281 1.956 1.00 1.00 C ATOM 118 CG TRP A 10 -3.565 -0.817 2.145 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.648 0.157 1.943 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.783 -0.146 2.552 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.220 1.376 2.232 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.536 1.242 2.610 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.063 -0.609 2.883 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.519 2.145 2.985 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.068 0.297 3.260 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.796 1.674 3.314 1.00 1.00 C ATOM 127 H TRP A 10 -1.512 -1.270 0.481 1.00 1.00 H ATOM 128 HA TRP A 10 -3.194 -3.641 0.327 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.178 -2.830 2.334 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.444 -2.576 2.488 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.636 0.008 1.619 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.764 2.242 2.179 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.274 -1.668 2.832 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.293 3.198 3.024 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.052 -0.067 3.515 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.571 2.369 3.606 1.00 1.00 H ATOM 137 N ARG A 11 -5.428 -2.625 -0.398 1.00 1.00 N ATOM 138 CA ARG A 11 -6.582 -2.100 -1.127 1.00 1.00 C ATOM 139 C ARG A 11 -6.111 -1.378 -2.382 1.00 1.00 C ATOM 140 O ARG A 11 -6.817 -0.543 -2.947 1.00 1.00 O ATOM 141 CB ARG A 11 -7.377 -1.138 -0.237 1.00 1.00 C ATOM 142 CG ARG A 11 -8.296 -1.936 0.699 1.00 1.00 C ATOM 143 CD ARG A 11 -9.608 -2.273 -0.020 1.00 1.00 C ATOM 144 NE ARG A 11 -10.608 -1.246 0.249 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.327 -1.265 1.368 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.144 -2.213 2.246 1.00 1.00 N ATOM 147 NH2 ARG A 11 -12.216 -0.336 1.588 1.00 1.00 N ATOM 148 H ARG A 11 -5.482 -3.509 0.023 1.00 1.00 H ATOM 149 HA ARG A 11 -7.215 -2.923 -1.416 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.691 -0.546 0.352 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.974 -0.485 -0.855 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.801 -2.850 0.995 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.513 -1.345 1.577 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.435 -2.329 -1.085 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.973 -3.229 0.330 1.00 1.00 H ATOM 156 HE ARG A 11 -10.753 -0.531 -0.405 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.462 -2.925 2.077 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.684 -2.227 3.087 1.00 1.00 H ATOM 159 HH21 ARG A 11 -12.358 0.391 0.915 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.756 -0.349 2.429 1.00 1.00 H ATOM 161 N CYS A 12 -4.898 -1.712 -2.790 1.00 1.00 N ATOM 162 CA CYS A 12 -4.283 -1.110 -3.966 1.00 1.00 C ATOM 163 C CYS A 12 -4.681 -1.868 -5.230 1.00 1.00 C ATOM 164 O CYS A 12 -5.596 -2.689 -5.205 1.00 1.00 O ATOM 165 CB CYS A 12 -2.759 -1.125 -3.797 1.00 1.00 C ATOM 166 SG CYS A 12 -2.111 0.529 -4.091 1.00 1.00 S ATOM 167 H CYS A 12 -4.398 -2.379 -2.276 1.00 1.00 H ATOM 168 HA CYS A 12 -4.613 -0.082 -4.050 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.514 -1.429 -2.792 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.312 -1.810 -4.495 1.00 1.00 H HETATM 171 N NH2 A 13 -4.039 -1.638 -6.344 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -3.310 -0.984 -6.363 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.287 -2.119 -7.160 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 12 ATOM 1 N GLY A 1 -2.555 8.109 -1.097 1.00 1.00 N ATOM 2 CA GLY A 1 -2.143 7.607 0.244 1.00 1.00 C ATOM 3 C GLY A 1 -0.800 6.897 0.130 1.00 1.00 C ATOM 4 O GLY A 1 0.072 7.319 -0.630 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.003 9.042 -0.996 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.230 7.443 -1.525 1.00 1.00 H ATOM 7 H3 GLY A 1 -1.718 8.195 -1.708 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.056 8.439 0.929 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.884 6.913 0.612 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.216 3.315 2.370 1.00 1.00 C HETATM 11 CB 2AG A 2 0.818 4.344 2.195 1.00 1.00 C HETATM 12 CA 2AG A 2 0.608 5.057 0.858 1.00 1.00 C HETATM 13 C 2AG A 2 0.592 4.048 -0.287 1.00 1.00 C HETATM 14 O 2AG A 2 1.606 3.432 -0.598 1.00 1.00 O HETATM 15 N 2AG A 2 -0.638 5.816 0.886 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.223 3.618 2.606 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.799 3.902 2.217 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.740 5.067 2.995 1.00 1.00 H HETATM 19 HA 2AG A 2 1.425 5.742 0.699 1.00 1.00 H HETATM 20 H 2AG A 2 -1.367 5.524 1.473 1.00 1.00 H ATOM 21 N CYS A 3 -0.564 3.906 -0.923 1.00 1.00 N ATOM 22 CA CYS A 3 -0.709 2.990 -2.053 1.00 1.00 C ATOM 23 C CYS A 3 0.435 3.155 -3.055 1.00 1.00 C ATOM 24 O CYS A 3 0.578 2.355 -3.980 1.00 1.00 O ATOM 25 CB CYS A 3 -2.065 3.229 -2.724 1.00 1.00 C ATOM 26 SG CYS A 3 -3.034 1.714 -2.667 1.00 1.00 S ATOM 27 H CYS A 3 -1.332 4.441 -0.637 1.00 1.00 H ATOM 28 HA CYS A 3 -0.688 1.973 -1.684 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.591 3.999 -2.185 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.928 3.527 -3.753 1.00 1.00 H ATOM 31 N SER A 4 1.261 4.178 -2.855 1.00 1.00 N ATOM 32 CA SER A 4 2.402 4.413 -3.736 1.00 1.00 C ATOM 33 C SER A 4 3.642 3.734 -3.160 1.00 1.00 C ATOM 34 O SER A 4 4.660 3.583 -3.837 1.00 1.00 O ATOM 35 CB SER A 4 2.655 5.914 -3.878 1.00 1.00 C ATOM 36 OG SER A 4 3.473 6.356 -2.803 1.00 1.00 O ATOM 37 H SER A 4 1.112 4.775 -2.093 1.00 1.00 H ATOM 38 HA SER A 4 2.191 3.996 -4.710 1.00 1.00 H ATOM 39 HB2 SER A 4 3.158 6.110 -4.810 1.00 1.00 H ATOM 40 HB3 SER A 4 1.709 6.440 -3.863 1.00 1.00 H ATOM 41 HG SER A 4 4.339 6.570 -3.159 1.00 1.00 H ATOM 42 N ASP A 5 3.535 3.326 -1.898 1.00 1.00 N ATOM 43 CA ASP A 5 4.627 2.657 -1.199 1.00 1.00 C ATOM 44 C ASP A 5 4.432 1.139 -1.250 1.00 1.00 C ATOM 45 O ASP A 5 3.332 0.643 -1.004 1.00 1.00 O ATOM 46 CB ASP A 5 4.656 3.139 0.258 1.00 1.00 C ATOM 47 CG ASP A 5 5.471 2.187 1.127 1.00 1.00 C ATOM 48 OD1 ASP A 5 4.900 1.222 1.606 1.00 1.00 O ATOM 49 OD2 ASP A 5 6.651 2.441 1.306 1.00 1.00 O ATOM 50 H ASP A 5 2.694 3.480 -1.424 1.00 1.00 H ATOM 51 HA ASP A 5 5.560 2.915 -1.672 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.100 4.123 0.297 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.644 3.191 0.637 1.00 1.00 H ATOM 54 N PRO A 6 5.466 0.397 -1.567 1.00 1.00 N ATOM 55 CA PRO A 6 5.366 -1.092 -1.649 1.00 1.00 C ATOM 56 C PRO A 6 4.950 -1.715 -0.317 1.00 1.00 C ATOM 57 O PRO A 6 4.394 -2.812 -0.280 1.00 1.00 O ATOM 58 CB PRO A 6 6.778 -1.534 -2.050 1.00 1.00 C ATOM 59 CG PRO A 6 7.679 -0.454 -1.556 1.00 1.00 C ATOM 60 CD PRO A 6 6.871 0.844 -1.613 1.00 1.00 C ATOM 61 HA PRO A 6 4.669 -1.375 -2.421 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.025 -2.479 -1.581 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.854 -1.617 -3.123 1.00 1.00 H ATOM 64 HG2 PRO A 6 7.984 -0.662 -0.538 1.00 1.00 H ATOM 65 HG3 PRO A 6 8.546 -0.370 -2.193 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.102 1.468 -0.761 1.00 1.00 H ATOM 67 HD3 PRO A 6 7.064 1.370 -2.535 1.00 1.00 H ATOM 68 N ARG A 7 5.217 -1.002 0.772 1.00 1.00 N ATOM 69 CA ARG A 7 4.861 -1.490 2.103 1.00 1.00 C ATOM 70 C ARG A 7 3.421 -1.100 2.437 1.00 1.00 C ATOM 71 O ARG A 7 2.914 -1.412 3.514 1.00 1.00 O ATOM 72 CB ARG A 7 5.821 -0.900 3.150 1.00 1.00 C ATOM 73 CG ARG A 7 6.705 -2.009 3.733 1.00 1.00 C ATOM 74 CD ARG A 7 7.598 -1.437 4.843 1.00 1.00 C ATOM 75 NE ARG A 7 7.317 -2.110 6.107 1.00 1.00 N ATOM 76 CZ ARG A 7 7.524 -3.414 6.252 1.00 1.00 C ATOM 77 NH1 ARG A 7 7.987 -4.116 5.254 1.00 1.00 N ATOM 78 NH2 ARG A 7 7.265 -3.994 7.392 1.00 1.00 N ATOM 79 H ARG A 7 5.658 -0.130 0.679 1.00 1.00 H ATOM 80 HA ARG A 7 4.942 -2.567 2.115 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.445 -0.154 2.681 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.254 -0.441 3.947 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.079 -2.788 4.141 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.326 -2.420 2.950 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.636 -1.589 4.585 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.410 -0.378 4.952 1.00 1.00 H ATOM 87 HE ARG A 7 6.969 -1.591 6.862 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.185 -3.672 4.380 1.00 1.00 H ATOM 89 HH12 ARG A 7 8.144 -5.097 5.363 1.00 1.00 H ATOM 90 HH21 ARG A 7 6.910 -3.456 8.157 1.00 1.00 H ATOM 91 HH22 ARG A 7 7.420 -4.975 7.500 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.064 2.001 2.243 1.00 1.00 C HETATM 93 CB 2AG A 8 1.410 1.543 1.923 1.00 1.00 C HETATM 94 CA 2AG A 8 1.407 0.034 1.679 1.00 1.00 C HETATM 95 C 2AG A 8 0.598 -0.296 0.425 1.00 1.00 C HETATM 96 O 2AG A 8 -0.198 0.515 -0.044 1.00 1.00 O HETATM 97 N 2AG A 8 2.777 -0.411 1.502 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.716 1.281 2.379 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.070 1.769 2.747 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.760 2.039 1.036 1.00 1.00 H HETATM 101 HA 2AG A 8 0.970 -0.467 2.531 1.00 1.00 H HETATM 102 H 2AG A 8 3.234 -0.189 0.672 1.00 1.00 H ATOM 103 N ALA A 9 0.823 -1.494 -0.117 1.00 1.00 N ATOM 104 CA ALA A 9 0.123 -1.930 -1.325 1.00 1.00 C ATOM 105 C ALA A 9 -1.196 -2.613 -0.973 1.00 1.00 C ATOM 106 O ALA A 9 -1.589 -3.596 -1.602 1.00 1.00 O ATOM 107 CB ALA A 9 1.005 -2.898 -2.116 1.00 1.00 C ATOM 108 H ALA A 9 1.477 -2.092 0.300 1.00 1.00 H ATOM 109 HA ALA A 9 -0.084 -1.067 -1.941 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.416 -3.374 -2.887 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.402 -3.650 -1.451 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.819 -2.353 -2.570 1.00 1.00 H ATOM 113 N TRP A 10 -1.871 -2.080 0.034 1.00 1.00 N ATOM 114 CA TRP A 10 -3.145 -2.621 0.483 1.00 1.00 C ATOM 115 C TRP A 10 -4.298 -1.993 -0.289 1.00 1.00 C ATOM 116 O TRP A 10 -4.190 -0.861 -0.762 1.00 1.00 O ATOM 117 CB TRP A 10 -3.316 -2.325 1.961 1.00 1.00 C ATOM 118 CG TRP A 10 -3.573 -0.866 2.145 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.677 0.125 1.931 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.801 -0.218 2.557 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.271 1.334 2.220 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.581 1.176 2.608 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.068 -0.705 2.899 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.580 2.060 2.987 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.089 0.183 3.281 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.843 1.565 3.327 1.00 1.00 C ATOM 127 H TRP A 10 -1.504 -1.303 0.492 1.00 1.00 H ATOM 128 HA TRP A 10 -3.158 -3.689 0.336 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.148 -2.888 2.343 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.419 -2.603 2.490 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.665 -0.005 1.600 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.833 2.209 2.160 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.258 -1.768 2.853 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.374 3.118 3.020 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.064 -0.200 3.544 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.629 2.245 3.622 1.00 1.00 H ATOM 137 N ARG A 11 -5.400 -2.731 -0.406 1.00 1.00 N ATOM 138 CA ARG A 11 -6.572 -2.234 -1.128 1.00 1.00 C ATOM 139 C ARG A 11 -6.129 -1.450 -2.354 1.00 1.00 C ATOM 140 O ARG A 11 -6.869 -0.629 -2.895 1.00 1.00 O ATOM 141 CB ARG A 11 -7.414 -1.337 -0.212 1.00 1.00 C ATOM 142 CG ARG A 11 -8.299 -2.203 0.696 1.00 1.00 C ATOM 143 CD ARG A 11 -9.620 -2.514 -0.014 1.00 1.00 C ATOM 144 NE ARG A 11 -10.312 -3.607 0.662 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.990 -3.400 1.786 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.044 -2.204 2.306 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.601 -4.392 2.371 1.00 1.00 N ATOM 148 H ARG A 11 -5.424 -3.623 -0.003 1.00 1.00 H ATOM 149 HA ARG A 11 -7.166 -3.074 -1.448 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.757 -0.733 0.395 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.039 -0.693 -0.815 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.787 -3.126 0.925 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.504 -1.669 1.611 1.00 1.00 H ATOM 154 HD2 ARG A 11 -10.247 -1.636 -0.003 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.419 -2.795 -1.038 1.00 1.00 H ATOM 156 HE ARG A 11 -10.276 -4.508 0.279 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.574 -1.443 1.858 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.555 -2.049 3.151 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.560 -5.310 1.974 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.111 -4.237 3.217 1.00 1.00 H ATOM 161 N CYS A 12 -4.901 -1.715 -2.768 1.00 1.00 N ATOM 162 CA CYS A 12 -4.311 -1.044 -3.919 1.00 1.00 C ATOM 163 C CYS A 12 -4.731 -1.731 -5.217 1.00 1.00 C ATOM 164 O CYS A 12 -4.848 -2.955 -5.268 1.00 1.00 O ATOM 165 CB CYS A 12 -2.785 -1.060 -3.781 1.00 1.00 C ATOM 166 SG CYS A 12 -2.145 0.593 -4.086 1.00 1.00 S ATOM 167 H CYS A 12 -4.372 -2.376 -2.274 1.00 1.00 H ATOM 168 HA CYS A 12 -4.647 -0.015 -3.939 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.520 -1.366 -2.781 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.354 -1.746 -4.489 1.00 1.00 H HETATM 171 N NH2 A 13 -4.967 -1.007 -6.278 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.873 -0.033 -6.237 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.237 -1.438 -7.115 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 13 ATOM 1 N GLY A 1 -3.066 6.835 0.523 1.00 1.00 N ATOM 2 CA GLY A 1 -1.988 7.854 0.677 1.00 1.00 C ATOM 3 C GLY A 1 -0.628 7.167 0.623 1.00 1.00 C ATOM 4 O GLY A 1 0.387 7.804 0.340 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.143 6.276 1.395 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.835 6.206 -0.274 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.971 7.312 0.337 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.060 8.578 -0.122 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.098 8.354 1.628 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.216 3.347 2.367 1.00 1.00 C HETATM 11 CB 2AG A 2 0.822 4.373 2.203 1.00 1.00 C HETATM 12 CA 2AG A 2 0.624 5.095 0.867 1.00 1.00 C HETATM 13 C 2AG A 2 0.610 4.089 -0.280 1.00 1.00 C HETATM 14 O 2AG A 2 1.632 3.495 -0.606 1.00 1.00 O HETATM 15 N 2AG A 2 -0.617 5.863 0.891 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.226 3.654 2.579 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.803 3.926 2.231 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.742 5.092 3.005 1.00 1.00 H HETATM 19 HA 2AG A 2 1.449 5.772 0.715 1.00 1.00 H HETATM 20 H 2AG A 2 -1.458 5.410 1.108 1.00 1.00 H ATOM 21 N CYS A 3 -0.552 3.923 -0.899 1.00 1.00 N ATOM 22 CA CYS A 3 -0.687 3.006 -2.031 1.00 1.00 C ATOM 23 C CYS A 3 0.454 3.193 -3.031 1.00 1.00 C ATOM 24 O CYS A 3 0.611 2.400 -3.960 1.00 1.00 O ATOM 25 CB CYS A 3 -2.048 3.219 -2.703 1.00 1.00 C ATOM 26 SG CYS A 3 -2.991 1.686 -2.643 1.00 1.00 S ATOM 27 H CYS A 3 -1.328 4.439 -0.600 1.00 1.00 H ATOM 28 HA CYS A 3 -0.647 1.988 -1.663 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.589 3.982 -2.167 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.916 3.517 -3.733 1.00 1.00 H ATOM 31 N SER A 4 1.264 4.229 -2.827 1.00 1.00 N ATOM 32 CA SER A 4 2.402 4.485 -3.704 1.00 1.00 C ATOM 33 C SER A 4 3.647 3.801 -3.140 1.00 1.00 C ATOM 34 O SER A 4 4.682 3.716 -3.801 1.00 1.00 O ATOM 35 CB SER A 4 2.643 5.989 -3.823 1.00 1.00 C ATOM 36 OG SER A 4 1.671 6.546 -4.698 1.00 1.00 O ATOM 37 H SER A 4 1.104 4.821 -2.063 1.00 1.00 H ATOM 38 HA SER A 4 2.191 4.083 -4.684 1.00 1.00 H ATOM 39 HB2 SER A 4 2.553 6.450 -2.853 1.00 1.00 H ATOM 40 HB3 SER A 4 3.637 6.166 -4.212 1.00 1.00 H ATOM 41 HG SER A 4 1.456 5.885 -5.363 1.00 1.00 H ATOM 42 N ASP A 5 3.521 3.312 -1.909 1.00 1.00 N ATOM 43 CA ASP A 5 4.613 2.625 -1.227 1.00 1.00 C ATOM 44 C ASP A 5 4.384 1.109 -1.262 1.00 1.00 C ATOM 45 O ASP A 5 3.298 0.638 -0.921 1.00 1.00 O ATOM 46 CB ASP A 5 4.680 3.102 0.230 1.00 1.00 C ATOM 47 CG ASP A 5 5.584 2.183 1.048 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.567 1.710 0.502 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.279 1.965 2.209 1.00 1.00 O ATOM 50 H ASP A 5 2.666 3.415 -1.447 1.00 1.00 H ATOM 51 HA ASP A 5 5.543 2.864 -1.714 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.076 4.107 0.257 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.684 3.098 0.657 1.00 1.00 H ATOM 54 N PRO A 6 5.372 0.339 -1.657 1.00 1.00 N ATOM 55 CA PRO A 6 5.223 -1.146 -1.711 1.00 1.00 C ATOM 56 C PRO A 6 4.829 -1.739 -0.360 1.00 1.00 C ATOM 57 O PRO A 6 4.222 -2.807 -0.294 1.00 1.00 O ATOM 58 CB PRO A 6 6.608 -1.628 -2.137 1.00 1.00 C ATOM 59 CG PRO A 6 7.158 -0.525 -2.976 1.00 1.00 C ATOM 60 CD PRO A 6 6.534 0.778 -2.456 1.00 1.00 C ATOM 61 HA PRO A 6 4.500 -1.420 -2.462 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.231 -1.792 -1.267 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.528 -2.533 -2.719 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.236 -0.490 -2.880 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.883 -0.671 -4.009 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.243 1.313 -1.836 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.209 1.395 -3.280 1.00 1.00 H ATOM 68 N ARG A 7 5.177 -1.039 0.715 1.00 1.00 N ATOM 69 CA ARG A 7 4.852 -1.507 2.058 1.00 1.00 C ATOM 70 C ARG A 7 3.413 -1.139 2.409 1.00 1.00 C ATOM 71 O ARG A 7 2.892 -1.534 3.453 1.00 1.00 O ATOM 72 CB ARG A 7 5.821 -0.884 3.076 1.00 1.00 C ATOM 73 CG ARG A 7 6.543 -1.993 3.847 1.00 1.00 C ATOM 74 CD ARG A 7 7.470 -1.371 4.891 1.00 1.00 C ATOM 75 NE ARG A 7 7.884 -2.381 5.859 1.00 1.00 N ATOM 76 CZ ARG A 7 8.865 -3.235 5.583 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.469 -3.184 4.427 1.00 1.00 N ATOM 78 NH2 ARG A 7 9.223 -4.127 6.467 1.00 1.00 N ATOM 79 H ARG A 7 5.659 -0.191 0.602 1.00 1.00 H ATOM 80 HA ARG A 7 4.953 -2.583 2.087 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.548 -0.279 2.554 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.272 -0.265 3.770 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.815 -2.622 4.338 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.126 -2.587 3.159 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.342 -0.968 4.400 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.948 -0.575 5.402 1.00 1.00 H ATOM 87 HE ARG A 7 7.433 -2.431 6.726 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.192 -2.503 3.748 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.208 -3.825 4.220 1.00 1.00 H ATOM 90 HH21 ARG A 7 8.758 -4.170 7.351 1.00 1.00 H ATOM 91 HH22 ARG A 7 9.962 -4.767 6.259 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.060 2.032 2.251 1.00 1.00 C HETATM 93 CB 2AG A 8 1.412 1.571 1.956 1.00 1.00 C HETATM 94 CA 2AG A 8 1.412 0.060 1.716 1.00 1.00 C HETATM 95 C 2AG A 8 0.593 -0.279 0.473 1.00 1.00 C HETATM 96 O 2AG A 8 -0.220 0.520 0.012 1.00 1.00 O HETATM 97 N 2AG A 8 2.782 -0.377 1.524 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.726 1.315 2.381 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.059 1.799 2.790 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.778 2.065 1.073 1.00 1.00 H HETATM 101 HA 2AG A 8 0.987 -0.439 2.575 1.00 1.00 H HETATM 102 H 2AG A 8 3.250 -0.096 0.718 1.00 1.00 H ATOM 103 N ALA A 9 0.830 -1.473 -0.069 1.00 1.00 N ATOM 104 CA ALA A 9 0.127 -1.927 -1.271 1.00 1.00 C ATOM 105 C ALA A 9 -1.185 -2.615 -0.911 1.00 1.00 C ATOM 106 O ALA A 9 -1.557 -3.624 -1.512 1.00 1.00 O ATOM 107 CB ALA A 9 1.008 -2.901 -2.056 1.00 1.00 C ATOM 108 H ALA A 9 1.501 -2.057 0.342 1.00 1.00 H ATOM 109 HA ALA A 9 -0.085 -1.072 -1.896 1.00 1.00 H ATOM 110 HB1 ALA A 9 1.857 -2.372 -2.462 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.435 -3.335 -2.862 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.352 -3.686 -1.397 1.00 1.00 H ATOM 113 N TRP A 10 -1.883 -2.058 0.067 1.00 1.00 N ATOM 114 CA TRP A 10 -3.158 -2.603 0.508 1.00 1.00 C ATOM 115 C TRP A 10 -4.299 -1.988 -0.287 1.00 1.00 C ATOM 116 O TRP A 10 -4.192 -0.859 -0.764 1.00 1.00 O ATOM 117 CB TRP A 10 -3.351 -2.297 1.981 1.00 1.00 C ATOM 118 CG TRP A 10 -3.601 -0.834 2.157 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.692 0.147 1.964 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.834 -0.177 2.539 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.282 1.363 2.238 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.602 1.216 2.593 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.114 -0.652 2.852 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.603 2.108 2.946 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.136 0.245 3.207 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.880 1.625 3.257 1.00 1.00 C ATOM 127 H TRP A 10 -1.537 -1.258 0.501 1.00 1.00 H ATOM 128 HA TRP A 10 -3.161 -3.671 0.368 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.194 -2.851 2.350 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.466 -2.579 2.527 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.673 0.009 1.659 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.835 2.233 2.188 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.312 -1.714 2.805 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.389 3.165 2.982 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.120 -0.129 3.447 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.667 2.313 3.532 1.00 1.00 H ATOM 137 N ARG A 11 -5.391 -2.736 -0.425 1.00 1.00 N ATOM 138 CA ARG A 11 -6.548 -2.251 -1.174 1.00 1.00 C ATOM 139 C ARG A 11 -6.079 -1.484 -2.403 1.00 1.00 C ATOM 140 O ARG A 11 -6.812 -0.683 -2.982 1.00 1.00 O ATOM 141 CB ARG A 11 -7.406 -1.342 -0.286 1.00 1.00 C ATOM 142 CG ARG A 11 -8.325 -2.195 0.601 1.00 1.00 C ATOM 143 CD ARG A 11 -9.622 -2.512 -0.150 1.00 1.00 C ATOM 144 NE ARG A 11 -10.417 -3.479 0.600 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.260 -4.788 0.425 1.00 1.00 C ATOM 146 NH1 ARG A 11 -9.373 -5.234 -0.424 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.993 -5.627 1.103 1.00 1.00 N ATOM 148 H ARG A 11 -5.415 -3.628 -0.020 1.00 1.00 H ATOM 149 HA ARG A 11 -7.135 -3.095 -1.493 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.760 -0.741 0.339 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.007 -0.694 -0.908 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.824 -3.117 0.859 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.560 -1.649 1.502 1.00 1.00 H ATOM 154 HD2 ARG A 11 -10.193 -1.605 -0.274 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.385 -2.917 -1.123 1.00 1.00 H ATOM 156 HE ARG A 11 -11.083 -3.158 1.244 1.00 1.00 H ATOM 157 HH11 ARG A 11 -8.811 -4.590 -0.944 1.00 1.00 H ATOM 158 HH12 ARG A 11 -9.256 -6.218 -0.554 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.672 -5.285 1.754 1.00 1.00 H ATOM 160 HH22 ARG A 11 -10.877 -6.611 0.973 1.00 1.00 H ATOM 161 N CYS A 12 -4.838 -1.746 -2.777 1.00 1.00 N ATOM 162 CA CYS A 12 -4.219 -1.096 -3.923 1.00 1.00 C ATOM 163 C CYS A 12 -4.595 -1.818 -5.215 1.00 1.00 C ATOM 164 O CYS A 12 -4.774 -1.185 -6.256 1.00 1.00 O ATOM 165 CB CYS A 12 -2.697 -1.096 -3.738 1.00 1.00 C ATOM 166 SG CYS A 12 -2.061 0.562 -4.034 1.00 1.00 S ATOM 167 H CYS A 12 -4.318 -2.393 -2.254 1.00 1.00 H ATOM 168 HA CYS A 12 -4.562 -0.070 -3.977 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.462 -1.392 -2.729 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.239 -1.782 -4.428 1.00 1.00 H HETATM 171 N NH2 A 13 -4.727 -3.117 -5.208 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.585 -3.620 -4.380 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.970 -3.589 -6.032 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 14 ATOM 1 N GLY A 1 -4.611 4.067 0.937 1.00 1.00 N ATOM 2 CA GLY A 1 -3.552 5.010 1.394 1.00 1.00 C ATOM 3 C GLY A 1 -2.179 4.412 1.115 1.00 1.00 C ATOM 4 O GLY A 1 -2.048 3.206 0.911 1.00 1.00 O ATOM 5 H1 GLY A 1 -4.747 4.168 -0.089 1.00 1.00 H ATOM 6 H2 GLY A 1 -5.502 4.282 1.429 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.323 3.091 1.152 1.00 1.00 H ATOM 8 HA2 GLY A 1 -3.653 5.946 0.864 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.657 5.184 2.454 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.070 3.104 2.569 1.00 1.00 C HETATM 11 CB 2AG A 2 0.811 4.185 2.105 1.00 1.00 C HETATM 12 CA 2AG A 2 0.217 4.840 0.851 1.00 1.00 C HETATM 13 C 2AG A 2 0.297 3.877 -0.336 1.00 1.00 C HETATM 14 O 2AG A 2 1.362 3.348 -0.643 1.00 1.00 O HETATM 15 N 2AG A 2 -1.159 5.270 1.106 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.002 3.356 3.044 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.791 3.801 1.880 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.897 4.932 2.882 1.00 1.00 H HETATM 19 HA 2AG A 2 0.805 5.714 0.616 1.00 1.00 H HETATM 20 H 2AG A 2 -1.336 6.218 1.275 1.00 1.00 H ATOM 21 N CYS A 3 -0.830 3.672 -1.011 1.00 1.00 N ATOM 22 CA CYS A 3 -0.879 2.788 -2.175 1.00 1.00 C ATOM 23 C CYS A 3 0.311 3.033 -3.106 1.00 1.00 C ATOM 24 O CYS A 3 0.552 2.259 -4.032 1.00 1.00 O ATOM 25 CB CYS A 3 -2.199 3.021 -2.920 1.00 1.00 C ATOM 26 SG CYS A 3 -3.142 1.486 -2.971 1.00 1.00 S ATOM 27 H CYS A 3 -1.646 4.134 -0.731 1.00 1.00 H ATOM 28 HA CYS A 3 -0.849 1.756 -1.843 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.771 3.769 -2.394 1.00 1.00 H ATOM 30 HB3 CYS A 3 -2.004 3.355 -3.928 1.00 1.00 H ATOM 31 N SER A 4 1.054 4.107 -2.851 1.00 1.00 N ATOM 32 CA SER A 4 2.219 4.435 -3.671 1.00 1.00 C ATOM 33 C SER A 4 3.504 3.950 -2.997 1.00 1.00 C ATOM 34 O SER A 4 4.605 4.331 -3.393 1.00 1.00 O ATOM 35 CB SER A 4 2.284 5.950 -3.893 1.00 1.00 C ATOM 36 OG SER A 4 2.231 6.219 -5.288 1.00 1.00 O ATOM 37 H SER A 4 0.819 4.688 -2.098 1.00 1.00 H ATOM 38 HA SER A 4 2.124 3.947 -4.630 1.00 1.00 H ATOM 39 HB2 SER A 4 1.445 6.423 -3.411 1.00 1.00 H ATOM 40 HB3 SER A 4 3.204 6.342 -3.476 1.00 1.00 H ATOM 41 HG SER A 4 2.744 5.546 -5.741 1.00 1.00 H ATOM 42 N ASP A 5 3.353 3.109 -1.975 1.00 1.00 N ATOM 43 CA ASP A 5 4.505 2.574 -1.248 1.00 1.00 C ATOM 44 C ASP A 5 4.462 1.045 -1.226 1.00 1.00 C ATOM 45 O ASP A 5 3.429 0.458 -0.904 1.00 1.00 O ATOM 46 CB ASP A 5 4.501 3.107 0.187 1.00 1.00 C ATOM 47 CG ASP A 5 5.799 2.724 0.888 1.00 1.00 C ATOM 48 OD1 ASP A 5 5.865 1.623 1.408 1.00 1.00 O ATOM 49 OD2 ASP A 5 6.708 3.538 0.894 1.00 1.00 O ATOM 50 H ASP A 5 2.450 2.841 -1.703 1.00 1.00 H ATOM 51 HA ASP A 5 5.410 2.897 -1.731 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.407 4.182 0.169 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.666 2.685 0.727 1.00 1.00 H ATOM 54 N PRO A 6 5.551 0.390 -1.556 1.00 1.00 N ATOM 55 CA PRO A 6 5.592 -1.102 -1.554 1.00 1.00 C ATOM 56 C PRO A 6 5.168 -1.688 -0.209 1.00 1.00 C ATOM 57 O PRO A 6 4.638 -2.797 -0.144 1.00 1.00 O ATOM 58 CB PRO A 6 7.056 -1.420 -1.853 1.00 1.00 C ATOM 59 CG PRO A 6 7.534 -0.284 -2.693 1.00 1.00 C ATOM 60 CD PRO A 6 6.711 0.945 -2.284 1.00 1.00 C ATOM 61 HA PRO A 6 4.971 -1.493 -2.343 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.623 -1.476 -0.932 1.00 1.00 H ATOM 63 HB3 PRO A 6 7.137 -2.346 -2.401 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.586 -0.107 -2.512 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.368 -0.499 -3.738 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.294 1.589 -1.638 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.380 1.484 -3.159 1.00 1.00 H ATOM 68 N ARG A 7 5.402 -0.933 0.860 1.00 1.00 N ATOM 69 CA ARG A 7 5.035 -1.387 2.200 1.00 1.00 C ATOM 70 C ARG A 7 3.594 -0.989 2.502 1.00 1.00 C ATOM 71 O ARG A 7 3.130 -1.084 3.637 1.00 1.00 O ATOM 72 CB ARG A 7 5.983 -0.767 3.239 1.00 1.00 C ATOM 73 CG ARG A 7 6.747 -1.872 3.972 1.00 1.00 C ATOM 74 CD ARG A 7 7.647 -1.244 5.035 1.00 1.00 C ATOM 75 NE ARG A 7 8.470 -0.196 4.442 1.00 1.00 N ATOM 76 CZ ARG A 7 9.434 -0.489 3.575 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.662 -1.732 3.247 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.151 0.466 3.050 1.00 1.00 N ATOM 79 H ARG A 7 5.824 -0.053 0.745 1.00 1.00 H ATOM 80 HA ARG A 7 5.117 -2.463 2.242 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.685 -0.118 2.739 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.415 -0.193 3.957 1.00 1.00 H ATOM 83 HG2 ARG A 7 6.045 -2.544 4.443 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.354 -2.419 3.266 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.035 -0.816 5.815 1.00 1.00 H ATOM 86 HD3 ARG A 7 8.283 -2.005 5.458 1.00 1.00 H ATOM 87 HE ARG A 7 8.308 0.739 4.684 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.113 -2.464 3.650 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.388 -1.952 2.595 1.00 1.00 H ATOM 90 HH21 ARG A 7 9.974 1.418 3.300 1.00 1.00 H ATOM 91 HH22 ARG A 7 10.876 0.246 2.398 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.256 1.803 2.414 1.00 1.00 C HETATM 93 CB 2AG A 8 1.501 1.409 1.777 1.00 1.00 C HETATM 94 CA 2AG A 8 1.524 -0.106 1.582 1.00 1.00 C HETATM 95 C 2AG A 8 0.764 -0.477 0.310 1.00 1.00 C HETATM 96 O 2AG A 8 0.050 0.346 -0.262 1.00 1.00 O HETATM 97 N 2AG A 8 2.902 -0.535 1.465 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.413 1.040 2.768 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.332 1.703 2.398 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.582 1.888 0.817 1.00 1.00 H HETATM 101 HA 2AG A 8 1.065 -0.589 2.432 1.00 1.00 H HETATM 102 H 2AG A 8 3.332 -0.478 0.597 1.00 1.00 H ATOM 103 N ALA A 9 0.939 -1.718 -0.134 1.00 1.00 N ATOM 104 CA ALA A 9 0.282 -2.193 -1.350 1.00 1.00 C ATOM 105 C ALA A 9 -1.139 -2.660 -1.053 1.00 1.00 C ATOM 106 O ALA A 9 -1.687 -3.508 -1.756 1.00 1.00 O ATOM 107 CB ALA A 9 1.083 -3.346 -1.958 1.00 1.00 C ATOM 108 H ALA A 9 1.528 -2.322 0.363 1.00 1.00 H ATOM 109 HA ALA A 9 0.242 -1.383 -2.064 1.00 1.00 H ATOM 110 HB1 ALA A 9 2.134 -3.102 -1.939 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.768 -3.504 -2.979 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.912 -4.245 -1.385 1.00 1.00 H ATOM 113 N TRP A 10 -1.726 -2.094 -0.009 1.00 1.00 N ATOM 114 CA TRP A 10 -3.081 -2.441 0.390 1.00 1.00 C ATOM 115 C TRP A 10 -4.099 -1.589 -0.363 1.00 1.00 C ATOM 116 O TRP A 10 -3.738 -0.595 -0.994 1.00 1.00 O ATOM 117 CB TRP A 10 -3.225 -2.208 1.882 1.00 1.00 C ATOM 118 CG TRP A 10 -3.379 -0.748 2.141 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.446 0.198 1.890 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.526 -0.054 2.684 1.00 1.00 C ATOM 121 NE1 TRP A 10 -2.940 1.425 2.280 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.222 1.321 2.775 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.784 -0.490 3.112 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.135 2.237 3.278 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.718 0.430 3.618 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.392 1.794 3.705 1.00 1.00 C ATOM 127 H TRP A 10 -1.237 -1.429 0.510 1.00 1.00 H ATOM 128 HA TRP A 10 -3.265 -3.482 0.179 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.094 -2.732 2.242 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.347 -2.574 2.390 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.473 0.025 1.463 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.458 2.276 2.220 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.038 -1.539 3.034 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -4.868 3.280 3.340 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.687 0.086 3.949 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.110 2.499 4.094 1.00 1.00 H ATOM 137 N ARG A 11 -5.372 -1.985 -0.296 1.00 1.00 N ATOM 138 CA ARG A 11 -6.429 -1.246 -0.987 1.00 1.00 C ATOM 139 C ARG A 11 -5.938 -0.835 -2.367 1.00 1.00 C ATOM 140 O ARG A 11 -6.478 0.075 -2.998 1.00 1.00 O ATOM 141 CB ARG A 11 -6.825 -0.002 -0.176 1.00 1.00 C ATOM 142 CG ARG A 11 -8.228 -0.185 0.418 1.00 1.00 C ATOM 143 CD ARG A 11 -8.674 1.111 1.109 1.00 1.00 C ATOM 144 NE ARG A 11 -9.870 1.638 0.461 1.00 1.00 N ATOM 145 CZ ARG A 11 -9.784 2.413 -0.616 1.00 1.00 C ATOM 146 NH1 ARG A 11 -8.616 2.717 -1.110 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.870 2.868 -1.180 1.00 1.00 N ATOM 148 H ARG A 11 -5.601 -2.785 0.219 1.00 1.00 H ATOM 149 HA ARG A 11 -7.284 -1.891 -1.101 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.115 0.143 0.625 1.00 1.00 H ATOM 151 HB3 ARG A 11 -6.822 0.867 -0.817 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.922 -0.427 -0.373 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.211 -0.989 1.139 1.00 1.00 H ATOM 154 HD2 ARG A 11 -8.895 0.908 2.146 1.00 1.00 H ATOM 155 HD3 ARG A 11 -7.881 1.845 1.052 1.00 1.00 H ATOM 156 HE ARG A 11 -10.753 1.418 0.826 1.00 1.00 H ATOM 157 HH11 ARG A 11 -7.784 2.369 -0.678 1.00 1.00 H ATOM 158 HH12 ARG A 11 -8.552 3.299 -1.920 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.765 2.635 -0.801 1.00 1.00 H ATOM 160 HH22 ARG A 11 -10.806 3.450 -1.990 1.00 1.00 H ATOM 161 N CYS A 12 -4.894 -1.516 -2.809 1.00 1.00 N ATOM 162 CA CYS A 12 -4.284 -1.241 -4.101 1.00 1.00 C ATOM 163 C CYS A 12 -4.768 -2.245 -5.147 1.00 1.00 C ATOM 164 O CYS A 12 -5.171 -3.358 -4.805 1.00 1.00 O ATOM 165 CB CYS A 12 -2.760 -1.321 -3.955 1.00 1.00 C ATOM 166 SG CYS A 12 -2.047 0.317 -4.194 1.00 1.00 S ATOM 167 H CYS A 12 -4.515 -2.216 -2.239 1.00 1.00 H ATOM 168 HA CYS A 12 -4.555 -0.242 -4.417 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.515 -1.673 -2.965 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.355 -1.996 -4.681 1.00 1.00 H HETATM 171 N NH2 A 13 -4.753 -1.915 -6.409 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.432 -1.029 -6.680 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.064 -2.552 -7.086 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 15 ATOM 1 N GLY A 1 -3.096 7.093 -0.887 1.00 1.00 N ATOM 2 CA GLY A 1 -2.136 7.627 0.120 1.00 1.00 C ATOM 3 C GLY A 1 -0.808 6.885 0.009 1.00 1.00 C ATOM 4 O GLY A 1 0.024 7.210 -0.839 1.00 1.00 O ATOM 5 H1 GLY A 1 -2.573 6.623 -1.652 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.657 7.877 -1.280 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.730 6.406 -0.431 1.00 1.00 H ATOM 8 HA2 GLY A 1 -1.977 8.681 -0.060 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.540 7.489 1.112 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.240 3.358 2.334 1.00 1.00 C HETATM 11 CB 2AG A 2 0.805 4.380 2.185 1.00 1.00 C HETATM 12 CA 2AG A 2 0.621 5.110 0.851 1.00 1.00 C HETATM 13 C 2AG A 2 0.605 4.107 -0.297 1.00 1.00 C HETATM 14 O 2AG A 2 1.618 3.487 -0.603 1.00 1.00 O HETATM 15 N 2AG A 2 -0.613 5.887 0.868 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.245 3.668 2.558 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.781 3.928 2.215 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.724 5.094 2.993 1.00 1.00 H HETATM 19 HA 2AG A 2 1.450 5.784 0.708 1.00 1.00 H HETATM 20 H 2AG A 2 -1.310 5.672 1.522 1.00 1.00 H ATOM 21 N CYS A 3 -0.548 3.972 -0.937 1.00 1.00 N ATOM 22 CA CYS A 3 -0.691 3.056 -2.068 1.00 1.00 C ATOM 23 C CYS A 3 0.455 3.224 -3.067 1.00 1.00 C ATOM 24 O CYS A 3 0.584 2.442 -4.009 1.00 1.00 O ATOM 25 CB CYS A 3 -2.045 3.292 -2.743 1.00 1.00 C ATOM 26 SG CYS A 3 -3.009 1.775 -2.687 1.00 1.00 S ATOM 27 H CYS A 3 -1.316 4.508 -0.652 1.00 1.00 H ATOM 28 HA CYS A 3 -0.668 2.039 -1.699 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.574 4.061 -2.207 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.906 3.589 -3.771 1.00 1.00 H ATOM 31 N SER A 4 1.296 4.229 -2.843 1.00 1.00 N ATOM 32 CA SER A 4 2.442 4.470 -3.716 1.00 1.00 C ATOM 33 C SER A 4 3.684 3.804 -3.128 1.00 1.00 C ATOM 34 O SER A 4 4.744 3.767 -3.755 1.00 1.00 O ATOM 35 CB SER A 4 2.679 5.974 -3.866 1.00 1.00 C ATOM 36 OG SER A 4 1.958 6.450 -4.996 1.00 1.00 O ATOM 37 H SER A 4 1.154 4.811 -2.069 1.00 1.00 H ATOM 38 HA SER A 4 2.243 4.045 -4.691 1.00 1.00 H ATOM 39 HB2 SER A 4 2.332 6.485 -2.984 1.00 1.00 H ATOM 40 HB3 SER A 4 3.737 6.163 -3.996 1.00 1.00 H ATOM 41 HG SER A 4 2.582 6.882 -5.584 1.00 1.00 H ATOM 42 N ASP A 5 3.533 3.280 -1.916 1.00 1.00 N ATOM 43 CA ASP A 5 4.625 2.609 -1.217 1.00 1.00 C ATOM 44 C ASP A 5 4.413 1.092 -1.249 1.00 1.00 C ATOM 45 O ASP A 5 3.324 0.612 -0.937 1.00 1.00 O ATOM 46 CB ASP A 5 4.668 3.094 0.236 1.00 1.00 C ATOM 47 CG ASP A 5 5.587 2.201 1.064 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.688 1.934 0.611 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.177 1.799 2.141 1.00 1.00 O ATOM 50 H ASP A 5 2.662 3.346 -1.478 1.00 1.00 H ATOM 51 HA ASP A 5 5.559 2.857 -1.694 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.037 4.110 0.261 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.670 3.066 0.655 1.00 1.00 H ATOM 54 N PRO A 6 5.417 0.331 -1.614 1.00 1.00 N ATOM 55 CA PRO A 6 5.285 -1.154 -1.664 1.00 1.00 C ATOM 56 C PRO A 6 4.861 -1.744 -0.320 1.00 1.00 C ATOM 57 O PRO A 6 4.278 -2.827 -0.263 1.00 1.00 O ATOM 58 CB PRO A 6 6.685 -1.625 -2.054 1.00 1.00 C ATOM 59 CG PRO A 6 7.250 -0.517 -2.878 1.00 1.00 C ATOM 60 CD PRO A 6 6.598 0.779 -2.380 1.00 1.00 C ATOM 61 HA PRO A 6 4.583 -1.438 -2.432 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.287 -1.786 -1.170 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.627 -2.530 -2.641 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.323 -0.471 -2.748 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.008 -0.667 -3.919 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.282 1.324 -1.742 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.290 1.391 -3.215 1.00 1.00 H ATOM 68 N ARG A 7 5.157 -1.024 0.758 1.00 1.00 N ATOM 69 CA ARG A 7 4.799 -1.486 2.097 1.00 1.00 C ATOM 70 C ARG A 7 3.361 -1.090 2.421 1.00 1.00 C ATOM 71 O ARG A 7 2.842 -1.404 3.492 1.00 1.00 O ATOM 72 CB ARG A 7 5.760 -0.879 3.132 1.00 1.00 C ATOM 73 CG ARG A 7 6.465 -1.996 3.909 1.00 1.00 C ATOM 74 CD ARG A 7 7.248 -1.394 5.077 1.00 1.00 C ATOM 75 NE ARG A 7 8.223 -2.357 5.574 1.00 1.00 N ATOM 76 CZ ARG A 7 9.422 -2.474 5.011 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.747 -1.710 4.003 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.272 -3.353 5.465 1.00 1.00 N ATOM 79 H ARG A 7 5.622 -0.167 0.651 1.00 1.00 H ATOM 80 HA ARG A 7 4.879 -2.563 2.127 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.499 -0.277 2.623 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.209 -0.258 3.824 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.730 -2.690 4.287 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.147 -2.517 3.252 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.761 -0.505 4.744 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.562 -1.134 5.870 1.00 1.00 H ATOM 87 HE ARG A 7 7.990 -2.931 6.332 1.00 1.00 H ATOM 88 HH11 ARG A 7 9.095 -1.037 3.655 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.649 -1.798 3.581 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.022 -3.939 6.237 1.00 1.00 H ATOM 91 HH22 ARG A 7 11.175 -3.442 5.042 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.026 2.042 2.190 1.00 1.00 C HETATM 93 CB 2AG A 8 1.372 1.574 1.880 1.00 1.00 C HETATM 94 CA 2AG A 8 1.363 0.062 1.650 1.00 1.00 C HETATM 95 C 2AG A 8 0.561 -0.277 0.395 1.00 1.00 C HETATM 96 O 2AG A 8 -0.228 0.533 -0.090 1.00 1.00 O HETATM 97 N 2AG A 8 2.730 -0.391 1.485 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.766 1.329 2.306 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.030 1.803 2.705 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.727 2.061 0.990 1.00 1.00 H HETATM 101 HA 2AG A 8 0.918 -0.428 2.504 1.00 1.00 H HETATM 102 H 2AG A 8 3.198 -0.170 0.660 1.00 1.00 H ATOM 103 N ALA A 9 0.781 -1.483 -0.131 1.00 1.00 N ATOM 104 CA ALA A 9 0.088 -1.930 -1.338 1.00 1.00 C ATOM 105 C ALA A 9 -1.253 -2.572 -0.992 1.00 1.00 C ATOM 106 O ALA A 9 -1.746 -3.436 -1.717 1.00 1.00 O ATOM 107 CB ALA A 9 0.955 -2.936 -2.097 1.00 1.00 C ATOM 108 H ALA A 9 1.428 -2.080 0.299 1.00 1.00 H ATOM 109 HA ALA A 9 -0.090 -1.077 -1.976 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.508 -3.146 -3.057 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.031 -3.850 -1.527 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.942 -2.520 -2.244 1.00 1.00 H ATOM 113 N TRP A 10 -1.834 -2.136 0.114 1.00 1.00 N ATOM 114 CA TRP A 10 -3.119 -2.653 0.561 1.00 1.00 C ATOM 115 C TRP A 10 -4.258 -2.057 -0.252 1.00 1.00 C ATOM 116 O TRP A 10 -4.168 -0.923 -0.722 1.00 1.00 O ATOM 117 CB TRP A 10 -3.316 -2.294 2.022 1.00 1.00 C ATOM 118 CG TRP A 10 -3.587 -0.830 2.130 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.700 0.155 1.866 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.823 -0.173 2.499 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.304 1.373 2.092 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.614 1.224 2.480 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.087 -0.653 2.858 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.624 2.116 2.809 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.119 0.242 3.187 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.885 1.628 3.166 1.00 1.00 C ATOM 127 H TRP A 10 -1.392 -1.446 0.645 1.00 1.00 H ATOM 128 HA TRP A 10 -3.132 -3.727 0.460 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.150 -2.847 2.417 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.425 -2.538 2.574 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.685 0.015 1.546 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.873 2.247 1.990 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.267 -1.719 2.863 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.428 3.176 2.790 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.092 -0.135 3.463 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.680 2.315 3.420 1.00 1.00 H ATOM 137 N ARG A 11 -5.335 -2.826 -0.399 1.00 1.00 N ATOM 138 CA ARG A 11 -6.502 -2.370 -1.152 1.00 1.00 C ATOM 139 C ARG A 11 -6.070 -1.551 -2.358 1.00 1.00 C ATOM 140 O ARG A 11 -6.843 -0.768 -2.910 1.00 1.00 O ATOM 141 CB ARG A 11 -7.402 -1.516 -0.256 1.00 1.00 C ATOM 142 CG ARG A 11 -8.270 -2.415 0.629 1.00 1.00 C ATOM 143 CD ARG A 11 -9.396 -1.582 1.252 1.00 1.00 C ATOM 144 NE ARG A 11 -10.661 -1.872 0.587 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.750 -1.151 0.833 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.699 -0.163 1.685 1.00 1.00 N ATOM 147 NH2 ARG A 11 -12.867 -1.429 0.223 1.00 1.00 N ATOM 148 H ARG A 11 -5.343 -3.716 0.012 1.00 1.00 H ATOM 149 HA ARG A 11 -7.053 -3.228 -1.496 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.785 -0.885 0.370 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.040 -0.898 -0.871 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.699 -3.207 0.031 1.00 1.00 H ATOM 153 HG3 ARG A 11 -7.665 -2.844 1.414 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.483 -1.820 2.300 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.168 -0.530 1.144 1.00 1.00 H ATOM 156 HE ARG A 11 -10.710 -2.611 -0.054 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.841 0.051 2.154 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.518 0.379 1.871 1.00 1.00 H ATOM 159 HH21 ARG A 11 -12.905 -2.186 -0.430 1.00 1.00 H ATOM 160 HH22 ARG A 11 -13.688 -0.887 0.407 1.00 1.00 H ATOM 161 N CYS A 12 -4.822 -1.735 -2.742 1.00 1.00 N ATOM 162 CA CYS A 12 -4.259 -1.009 -3.870 1.00 1.00 C ATOM 163 C CYS A 12 -4.696 -1.635 -5.192 1.00 1.00 C ATOM 164 O CYS A 12 -4.880 -2.850 -5.279 1.00 1.00 O ATOM 165 CB CYS A 12 -2.731 -1.011 -3.764 1.00 1.00 C ATOM 166 SG CYS A 12 -2.111 0.646 -4.094 1.00 1.00 S ATOM 167 H CYS A 12 -4.265 -2.365 -2.243 1.00 1.00 H ATOM 168 HA CYS A 12 -4.608 0.016 -3.835 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.444 -1.306 -2.769 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.308 -1.698 -4.476 1.00 1.00 H HETATM 171 N NH2 A 13 -4.876 -0.870 -6.233 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.728 0.098 -6.162 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.160 -1.260 -7.086 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 16 ATOM 1 N GLY A 1 -2.752 7.425 -1.133 1.00 1.00 N ATOM 2 CA GLY A 1 -1.917 7.718 0.065 1.00 1.00 C ATOM 3 C GLY A 1 -0.626 6.911 -0.005 1.00 1.00 C ATOM 4 O GLY A 1 0.251 7.198 -0.820 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.608 6.912 -0.843 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.207 6.842 -1.802 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.025 8.317 -1.594 1.00 1.00 H ATOM 8 HA2 GLY A 1 -1.682 8.773 0.090 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.459 7.447 0.958 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.266 3.316 2.303 1.00 1.00 C HETATM 11 CB 2AG A 2 0.789 4.334 2.210 1.00 1.00 C HETATM 12 CA 2AG A 2 0.679 5.063 0.869 1.00 1.00 C HETATM 13 C 2AG A 2 0.648 4.062 -0.280 1.00 1.00 C HETATM 14 O 2AG A 2 1.652 3.432 -0.594 1.00 1.00 O HETATM 15 N 2AG A 2 -0.515 5.901 0.851 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.281 3.628 2.478 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.761 3.880 2.293 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.666 5.049 3.011 1.00 1.00 H HETATM 19 HA 2AG A 2 1.542 5.695 0.747 1.00 1.00 H HETATM 20 H 2AG A 2 -1.244 5.716 1.479 1.00 1.00 H ATOM 21 N CYS A 3 -0.509 3.939 -0.915 1.00 1.00 N ATOM 22 CA CYS A 3 -0.665 3.028 -2.048 1.00 1.00 C ATOM 23 C CYS A 3 0.469 3.208 -3.058 1.00 1.00 C ATOM 24 O CYS A 3 0.610 2.418 -3.991 1.00 1.00 O ATOM 25 CB CYS A 3 -2.030 3.262 -2.704 1.00 1.00 C ATOM 26 SG CYS A 3 -2.990 1.741 -2.642 1.00 1.00 S ATOM 27 H CYS A 3 -1.270 4.483 -0.626 1.00 1.00 H ATOM 28 HA CYS A 3 -0.634 2.009 -1.684 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.555 4.029 -2.158 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.906 3.565 -3.732 1.00 1.00 H ATOM 31 N SER A 4 1.290 4.234 -2.850 1.00 1.00 N ATOM 32 CA SER A 4 2.426 4.489 -3.732 1.00 1.00 C ATOM 33 C SER A 4 3.679 3.842 -3.144 1.00 1.00 C ATOM 34 O SER A 4 4.743 3.831 -3.763 1.00 1.00 O ATOM 35 CB SER A 4 2.639 5.997 -3.889 1.00 1.00 C ATOM 36 OG SER A 4 1.978 6.442 -5.066 1.00 1.00 O ATOM 37 H SER A 4 1.140 4.821 -2.080 1.00 1.00 H ATOM 38 HA SER A 4 2.227 4.057 -4.702 1.00 1.00 H ATOM 39 HB2 SER A 4 2.229 6.512 -3.037 1.00 1.00 H ATOM 40 HB3 SER A 4 3.699 6.210 -3.958 1.00 1.00 H ATOM 41 HG SER A 4 1.939 5.706 -5.682 1.00 1.00 H ATOM 42 N ASP A 5 3.527 3.303 -1.937 1.00 1.00 N ATOM 43 CA ASP A 5 4.619 2.642 -1.232 1.00 1.00 C ATOM 44 C ASP A 5 4.404 1.126 -1.244 1.00 1.00 C ATOM 45 O ASP A 5 3.328 0.651 -0.885 1.00 1.00 O ATOM 46 CB ASP A 5 4.662 3.143 0.216 1.00 1.00 C ATOM 47 CG ASP A 5 5.604 2.277 1.049 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.676 1.962 0.559 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.239 1.944 2.165 1.00 1.00 O ATOM 50 H ASP A 5 2.651 3.349 -1.508 1.00 1.00 H ATOM 51 HA ASP A 5 5.552 2.883 -1.714 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.011 4.165 0.228 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.667 3.101 0.641 1.00 1.00 H ATOM 54 N PRO A 6 5.391 0.361 -1.642 1.00 1.00 N ATOM 55 CA PRO A 6 5.249 -1.124 -1.676 1.00 1.00 C ATOM 56 C PRO A 6 4.845 -1.699 -0.318 1.00 1.00 C ATOM 57 O PRO A 6 4.241 -2.769 -0.242 1.00 1.00 O ATOM 58 CB PRO A 6 6.638 -1.606 -2.090 1.00 1.00 C ATOM 59 CG PRO A 6 7.191 -0.508 -2.936 1.00 1.00 C ATOM 60 CD PRO A 6 6.554 0.797 -2.440 1.00 1.00 C ATOM 61 HA PRO A 6 4.531 -1.411 -2.428 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.257 -1.761 -1.216 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.565 -2.516 -2.665 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.268 -0.464 -2.827 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.931 -0.668 -3.970 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.252 1.348 -1.826 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.227 1.397 -3.276 1.00 1.00 H ATOM 68 N ARG A 7 5.184 -0.983 0.751 1.00 1.00 N ATOM 69 CA ARG A 7 4.851 -1.433 2.102 1.00 1.00 C ATOM 70 C ARG A 7 3.411 -1.062 2.447 1.00 1.00 C ATOM 71 O ARG A 7 2.924 -1.353 3.539 1.00 1.00 O ATOM 72 CB ARG A 7 5.810 -0.788 3.113 1.00 1.00 C ATOM 73 CG ARG A 7 6.238 -1.821 4.160 1.00 1.00 C ATOM 74 CD ARG A 7 7.182 -1.167 5.178 1.00 1.00 C ATOM 75 NE ARG A 7 8.519 -1.740 5.066 1.00 1.00 N ATOM 76 CZ ARG A 7 9.519 -1.308 5.829 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.312 -0.356 6.697 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.705 -1.836 5.711 1.00 1.00 N ATOM 79 H ARG A 7 5.665 -0.136 0.630 1.00 1.00 H ATOM 80 HA ARG A 7 4.958 -2.507 2.149 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.683 -0.422 2.594 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.317 0.037 3.607 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.363 -2.200 4.668 1.00 1.00 H ATOM 84 HG3 ARG A 7 6.750 -2.636 3.671 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.236 -0.104 4.993 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.804 -1.335 6.175 1.00 1.00 H ATOM 87 HE ARG A 7 8.684 -2.455 4.416 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.402 0.050 6.787 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.063 -0.030 7.272 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.865 -2.566 5.048 1.00 1.00 H ATOM 91 HH22 ARG A 7 11.456 -1.511 6.288 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.005 2.001 2.170 1.00 1.00 C HETATM 93 CB 2AG A 8 1.364 1.533 1.927 1.00 1.00 C HETATM 94 CA 2AG A 8 1.370 0.023 1.685 1.00 1.00 C HETATM 95 C 2AG A 8 0.564 -0.317 0.432 1.00 1.00 C HETATM 96 O 2AG A 8 -0.224 0.494 -0.052 1.00 1.00 O HETATM 97 N 2AG A 8 2.744 -0.409 1.504 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.791 1.290 2.244 1.00 1.00 H HETATM 99 HB2 2AG A 8 1.978 1.756 2.786 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.766 2.027 1.060 1.00 1.00 H HETATM 101 HA 2AG A 8 0.938 -0.478 2.538 1.00 1.00 H HETATM 102 H 2AG A 8 3.190 -0.201 0.666 1.00 1.00 H ATOM 103 N ALA A 9 0.783 -1.525 -0.092 1.00 1.00 N ATOM 104 CA ALA A 9 0.088 -1.975 -1.299 1.00 1.00 C ATOM 105 C ALA A 9 -1.244 -2.635 -0.950 1.00 1.00 C ATOM 106 O ALA A 9 -1.677 -3.579 -1.612 1.00 1.00 O ATOM 107 CB ALA A 9 0.964 -2.970 -2.062 1.00 1.00 C ATOM 108 H ALA A 9 1.431 -2.121 0.336 1.00 1.00 H ATOM 109 HA ALA A 9 -0.101 -1.122 -1.932 1.00 1.00 H ATOM 110 HB1 ALA A 9 0.569 -3.107 -3.057 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.968 -3.917 -1.543 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.972 -2.589 -2.124 1.00 1.00 H ATOM 113 N TRP A 10 -1.887 -2.126 0.092 1.00 1.00 N ATOM 114 CA TRP A 10 -3.171 -2.651 0.536 1.00 1.00 C ATOM 115 C TRP A 10 -4.312 -2.050 -0.270 1.00 1.00 C ATOM 116 O TRP A 10 -4.222 -0.912 -0.731 1.00 1.00 O ATOM 117 CB TRP A 10 -3.369 -2.307 2.000 1.00 1.00 C ATOM 118 CG TRP A 10 -3.624 -0.841 2.131 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.720 0.135 1.897 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.854 -0.172 2.502 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.309 1.358 2.135 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.626 1.221 2.509 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.128 -0.641 2.841 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.626 2.122 2.844 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.150 0.264 3.179 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.898 1.645 3.183 1.00 1.00 C ATOM 127 H TRP A 10 -1.491 -1.379 0.574 1.00 1.00 H ATOM 128 HA TRP A 10 -3.182 -3.723 0.425 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.212 -2.855 2.384 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.486 -2.572 2.555 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.704 -0.014 1.586 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.864 2.227 2.052 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.323 -1.705 2.827 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.417 3.181 2.844 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.130 -0.105 3.441 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.685 2.338 3.442 1.00 1.00 H ATOM 137 N ARG A 11 -5.385 -2.820 -0.428 1.00 1.00 N ATOM 138 CA ARG A 11 -6.550 -2.356 -1.182 1.00 1.00 C ATOM 139 C ARG A 11 -6.103 -1.534 -2.382 1.00 1.00 C ATOM 140 O ARG A 11 -6.863 -0.736 -2.932 1.00 1.00 O ATOM 141 CB ARG A 11 -7.454 -1.509 -0.281 1.00 1.00 C ATOM 142 CG ARG A 11 -8.297 -2.425 0.613 1.00 1.00 C ATOM 143 CD ARG A 11 -9.361 -1.599 1.347 1.00 1.00 C ATOM 144 NE ARG A 11 -9.521 -2.089 2.713 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.661 -1.923 3.377 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.666 -1.313 2.810 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.776 -2.373 4.598 1.00 1.00 N ATOM 148 H ARG A 11 -5.394 -3.714 -0.027 1.00 1.00 H ATOM 149 HA ARG A 11 -7.101 -3.212 -1.534 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.842 -0.866 0.337 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.108 -0.906 -0.892 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.781 -3.176 0.005 1.00 1.00 H ATOM 153 HG3 ARG A 11 -7.659 -2.907 1.337 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.060 -0.563 1.374 1.00 1.00 H ATOM 155 HD3 ARG A 11 -10.302 -1.682 0.822 1.00 1.00 H ATOM 156 HE ARG A 11 -8.774 -2.549 3.149 1.00 1.00 H ATOM 157 HH11 ARG A 11 -11.579 -0.968 1.876 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.522 -1.189 3.311 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.007 -2.842 5.032 1.00 1.00 H ATOM 160 HH22 ARG A 11 -11.633 -2.249 5.098 1.00 1.00 H ATOM 161 N CYS A 12 -4.855 -1.737 -2.762 1.00 1.00 N ATOM 162 CA CYS A 12 -4.265 -1.022 -3.885 1.00 1.00 C ATOM 163 C CYS A 12 -4.682 -1.654 -5.211 1.00 1.00 C ATOM 164 O CYS A 12 -5.296 -2.721 -5.229 1.00 1.00 O ATOM 165 CB CYS A 12 -2.739 -1.039 -3.746 1.00 1.00 C ATOM 166 SG CYS A 12 -2.096 0.614 -4.054 1.00 1.00 S ATOM 167 H CYS A 12 -4.311 -2.382 -2.262 1.00 1.00 H ATOM 168 HA CYS A 12 -4.604 0.007 -3.863 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.475 -1.342 -2.746 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.308 -1.725 -4.453 1.00 1.00 H HETATM 171 N NH2 A 13 -4.383 -1.054 -6.330 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -3.895 -0.204 -6.315 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.650 -1.451 -7.185 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 17 ATOM 1 N GLY A 1 -2.457 7.876 -1.333 1.00 1.00 N ATOM 2 CA GLY A 1 -1.886 7.748 0.039 1.00 1.00 C ATOM 3 C GLY A 1 -0.597 6.936 -0.019 1.00 1.00 C ATOM 4 O GLY A 1 0.293 7.228 -0.816 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.041 8.733 -1.387 1.00 1.00 H ATOM 6 H2 GLY A 1 -3.043 7.041 -1.543 1.00 1.00 H ATOM 7 H3 GLY A 1 -1.684 7.941 -2.025 1.00 1.00 H ATOM 8 HA2 GLY A 1 -1.677 8.732 0.434 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.596 7.246 0.679 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.272 3.339 2.305 1.00 1.00 C HETATM 11 CB 2AG A 2 0.783 4.358 2.212 1.00 1.00 C HETATM 12 CA 2AG A 2 0.684 5.073 0.861 1.00 1.00 C HETATM 13 C 2AG A 2 0.647 4.062 -0.279 1.00 1.00 C HETATM 14 O 2AG A 2 1.647 3.423 -0.588 1.00 1.00 O HETATM 15 N 2AG A 2 -0.504 5.918 0.830 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.288 3.652 2.471 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.755 3.907 2.309 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.650 5.081 3.003 1.00 1.00 H HETATM 19 HA 2AG A 2 1.552 5.699 0.737 1.00 1.00 H HETATM 20 H 2AG A 2 -1.244 5.730 1.444 1.00 1.00 H ATOM 21 N CYS A 3 -0.510 3.946 -0.914 1.00 1.00 N ATOM 22 CA CYS A 3 -0.671 3.031 -2.042 1.00 1.00 C ATOM 23 C CYS A 3 0.459 3.205 -3.057 1.00 1.00 C ATOM 24 O CYS A 3 0.587 2.420 -3.996 1.00 1.00 O ATOM 25 CB CYS A 3 -2.038 3.266 -2.693 1.00 1.00 C ATOM 26 SG CYS A 3 -3.001 1.747 -2.622 1.00 1.00 S ATOM 27 H CYS A 3 -1.265 4.499 -0.631 1.00 1.00 H ATOM 28 HA CYS A 3 -0.639 2.013 -1.675 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.559 4.034 -2.147 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.917 3.564 -3.724 1.00 1.00 H ATOM 31 N SER A 4 1.292 4.220 -2.845 1.00 1.00 N ATOM 32 CA SER A 4 2.428 4.466 -3.730 1.00 1.00 C ATOM 33 C SER A 4 3.671 3.798 -3.153 1.00 1.00 C ATOM 34 O SER A 4 4.716 3.723 -3.798 1.00 1.00 O ATOM 35 CB SER A 4 2.669 5.969 -3.872 1.00 1.00 C ATOM 36 OG SER A 4 3.231 6.470 -2.665 1.00 1.00 O ATOM 37 H SER A 4 1.154 4.801 -2.069 1.00 1.00 H ATOM 38 HA SER A 4 2.219 4.047 -4.704 1.00 1.00 H ATOM 39 HB2 SER A 4 3.353 6.152 -4.684 1.00 1.00 H ATOM 40 HB3 SER A 4 1.730 6.465 -4.077 1.00 1.00 H ATOM 41 HG SER A 4 4.162 6.645 -2.822 1.00 1.00 H ATOM 42 N ASP A 5 3.532 3.312 -1.922 1.00 1.00 N ATOM 43 CA ASP A 5 4.619 2.639 -1.220 1.00 1.00 C ATOM 44 C ASP A 5 4.401 1.122 -1.241 1.00 1.00 C ATOM 45 O ASP A 5 3.317 0.647 -0.901 1.00 1.00 O ATOM 46 CB ASP A 5 4.664 3.131 0.233 1.00 1.00 C ATOM 47 CG ASP A 5 5.574 2.233 1.066 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.645 1.899 0.587 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.186 1.893 2.172 1.00 1.00 O ATOM 50 H ASP A 5 2.669 3.409 -1.473 1.00 1.00 H ATOM 51 HA ASP A 5 5.554 2.879 -1.697 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.043 4.142 0.254 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.665 3.115 0.649 1.00 1.00 H ATOM 54 N PRO A 6 5.396 0.356 -1.625 1.00 1.00 N ATOM 55 CA PRO A 6 5.258 -1.130 -1.665 1.00 1.00 C ATOM 56 C PRO A 6 4.844 -1.715 -0.315 1.00 1.00 C ATOM 57 O PRO A 6 4.247 -2.789 -0.251 1.00 1.00 O ATOM 58 CB PRO A 6 6.654 -1.605 -2.061 1.00 1.00 C ATOM 59 CG PRO A 6 7.213 -0.504 -2.900 1.00 1.00 C ATOM 60 CD PRO A 6 6.573 0.798 -2.400 1.00 1.00 C ATOM 61 HA PRO A 6 4.552 -1.417 -2.427 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.264 -1.757 -1.179 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.594 -2.516 -2.639 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.289 -0.461 -2.785 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.957 -0.660 -3.936 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.265 1.338 -1.769 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.262 1.408 -3.235 1.00 1.00 H ATOM 68 N ARG A 7 5.165 -1.000 0.760 1.00 1.00 N ATOM 69 CA ARG A 7 4.822 -1.462 2.104 1.00 1.00 C ATOM 70 C ARG A 7 3.379 -1.091 2.439 1.00 1.00 C ATOM 71 O ARG A 7 2.868 -1.430 3.507 1.00 1.00 O ATOM 72 CB ARG A 7 5.776 -0.832 3.129 1.00 1.00 C ATOM 73 CG ARG A 7 6.404 -1.925 4.001 1.00 1.00 C ATOM 74 CD ARG A 7 7.320 -1.287 5.051 1.00 1.00 C ATOM 75 NE ARG A 7 8.432 -2.181 5.357 1.00 1.00 N ATOM 76 CZ ARG A 7 9.503 -2.239 4.571 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.570 -1.489 3.504 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.486 -3.044 4.865 1.00 1.00 N ATOM 79 H ARG A 7 5.642 -0.151 0.649 1.00 1.00 H ATOM 80 HA ARG A 7 4.923 -2.537 2.141 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.559 -0.299 2.608 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.234 -0.141 3.759 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.620 -2.482 4.495 1.00 1.00 H ATOM 84 HG3 ARG A 7 6.982 -2.593 3.380 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.709 -0.355 4.672 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.753 -1.097 5.952 1.00 1.00 H ATOM 87 HE ARG A 7 8.389 -2.746 6.156 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.816 -0.872 3.278 1.00 1.00 H ATOM 89 HH12 ARG A 7 10.374 -1.534 2.912 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.435 -3.617 5.683 1.00 1.00 H ATOM 91 HH22 ARG A 7 11.291 -3.087 4.274 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.001 2.024 2.184 1.00 1.00 C HETATM 93 CB 2AG A 8 1.360 1.554 1.953 1.00 1.00 C HETATM 94 CA 2AG A 8 1.363 0.047 1.695 1.00 1.00 C HETATM 95 C 2AG A 8 0.559 -0.281 0.437 1.00 1.00 C HETATM 96 O 2AG A 8 -0.243 0.526 -0.028 1.00 1.00 O HETATM 97 N 2AG A 8 2.736 -0.387 1.517 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.797 1.313 2.260 1.00 1.00 H HETATM 99 HB2 2AG A 8 1.964 1.766 2.822 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.775 2.056 1.097 1.00 1.00 H HETATM 101 HA 2AG A 8 0.928 -0.461 2.542 1.00 1.00 H HETATM 102 H 2AG A 8 3.198 -0.144 0.695 1.00 1.00 H ATOM 103 N ALA A 9 0.797 -1.473 -0.113 1.00 1.00 N ATOM 104 CA ALA A 9 0.105 -1.909 -1.325 1.00 1.00 C ATOM 105 C ALA A 9 -1.209 -2.605 -0.981 1.00 1.00 C ATOM 106 O ALA A 9 -1.615 -3.559 -1.645 1.00 1.00 O ATOM 107 CB ALA A 9 0.998 -2.867 -2.117 1.00 1.00 C ATOM 108 H ALA A 9 1.456 -2.068 0.301 1.00 1.00 H ATOM 109 HA ALA A 9 -0.106 -1.047 -1.940 1.00 1.00 H ATOM 110 HB1 ALA A 9 1.396 -3.620 -1.452 1.00 1.00 H ATOM 111 HB2 ALA A 9 1.812 -2.315 -2.562 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.417 -3.343 -2.893 1.00 1.00 H ATOM 113 N TRP A 10 -1.865 -2.114 0.059 1.00 1.00 N ATOM 114 CA TRP A 10 -3.134 -2.673 0.503 1.00 1.00 C ATOM 115 C TRP A 10 -4.293 -2.071 -0.278 1.00 1.00 C ATOM 116 O TRP A 10 -4.217 -0.929 -0.731 1.00 1.00 O ATOM 117 CB TRP A 10 -3.319 -2.368 1.977 1.00 1.00 C ATOM 118 CG TRP A 10 -3.605 -0.912 2.148 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.726 0.092 1.926 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.844 -0.282 2.554 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.341 1.294 2.204 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.648 1.116 2.593 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.099 -0.789 2.900 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.663 1.985 2.963 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.137 0.083 3.274 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.917 1.470 3.309 1.00 1.00 C ATOM 127 H TRP A 10 -1.490 -1.357 0.543 1.00 1.00 H ATOM 128 HA TRP A 10 -3.127 -3.740 0.364 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.145 -2.944 2.359 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.422 -2.627 2.514 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.711 -0.023 1.597 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.918 2.175 2.136 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.270 -1.856 2.863 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.477 3.047 2.987 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.105 -0.315 3.541 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.716 2.138 3.596 1.00 1.00 H ATOM 137 N ARG A 11 -5.367 -2.845 -0.425 1.00 1.00 N ATOM 138 CA ARG A 11 -6.544 -2.379 -1.158 1.00 1.00 C ATOM 139 C ARG A 11 -6.114 -1.547 -2.358 1.00 1.00 C ATOM 140 O ARG A 11 -6.884 -0.750 -2.896 1.00 1.00 O ATOM 141 CB ARG A 11 -7.441 -1.542 -0.240 1.00 1.00 C ATOM 142 CG ARG A 11 -8.301 -2.464 0.632 1.00 1.00 C ATOM 143 CD ARG A 11 -9.381 -1.643 1.346 1.00 1.00 C ATOM 144 NE ARG A 11 -9.628 -2.186 2.676 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.724 -1.867 3.357 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.605 -1.059 2.832 1.00 1.00 N ATOM 147 NH2 ARG A 11 -10.920 -2.361 4.549 1.00 1.00 N ATOM 148 H ARG A 11 -5.365 -3.744 -0.034 1.00 1.00 H ATOM 149 HA ARG A 11 -7.097 -3.235 -1.510 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.822 -0.921 0.394 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.084 -0.914 -0.838 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.770 -3.213 0.010 1.00 1.00 H ATOM 153 HG3 ARG A 11 -7.676 -2.949 1.366 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.054 -0.619 1.437 1.00 1.00 H ATOM 155 HD3 ARG A 11 -10.294 -1.675 0.769 1.00 1.00 H ATOM 156 HE ARG A 11 -8.974 -2.796 3.078 1.00 1.00 H ATOM 157 HH11 ARG A 11 -11.455 -0.681 1.918 1.00 1.00 H ATOM 158 HH12 ARG A 11 -12.430 -0.818 3.342 1.00 1.00 H ATOM 159 HH21 ARG A 11 -10.246 -2.980 4.950 1.00 1.00 H ATOM 160 HH22 ARG A 11 -11.745 -2.120 5.060 1.00 1.00 H ATOM 161 N CYS A 12 -4.869 -1.742 -2.752 1.00 1.00 N ATOM 162 CA CYS A 12 -4.290 -1.017 -3.874 1.00 1.00 C ATOM 163 C CYS A 12 -4.711 -1.647 -5.200 1.00 1.00 C ATOM 164 O CYS A 12 -4.406 -2.810 -5.464 1.00 1.00 O ATOM 165 CB CYS A 12 -2.764 -1.024 -3.746 1.00 1.00 C ATOM 166 SG CYS A 12 -2.135 0.632 -4.060 1.00 1.00 S ATOM 167 H CYS A 12 -4.318 -2.388 -2.260 1.00 1.00 H ATOM 168 HA CYS A 12 -4.635 0.010 -3.846 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.491 -1.324 -2.747 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.332 -1.709 -4.454 1.00 1.00 H HETATM 171 N NH2 A 13 -5.399 -0.941 -6.057 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.640 -0.015 -5.846 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.672 -1.337 -6.910 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 18 ATOM 1 N GLY A 1 -2.963 7.444 -1.100 1.00 1.00 N ATOM 2 CA GLY A 1 -2.242 7.565 0.199 1.00 1.00 C ATOM 3 C GLY A 1 -0.894 6.860 0.101 1.00 1.00 C ATOM 4 O GLY A 1 -0.017 7.285 -0.650 1.00 1.00 O ATOM 5 H1 GLY A 1 -2.789 6.504 -1.507 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.618 8.175 -1.756 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.983 7.569 -0.945 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.086 8.610 0.426 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.828 7.109 0.982 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.304 3.266 2.342 1.00 1.00 C HETATM 11 CB 2AG A 2 0.715 4.313 2.187 1.00 1.00 C HETATM 12 CA 2AG A 2 0.516 5.033 0.850 1.00 1.00 C HETATM 13 C 2AG A 2 0.524 4.030 -0.300 1.00 1.00 C HETATM 14 O 2AG A 2 1.545 3.417 -0.595 1.00 1.00 O HETATM 15 N 2AG A 2 -0.735 5.783 0.864 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.320 3.551 2.551 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.702 3.888 2.223 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.612 5.029 2.990 1.00 1.00 H HETATM 19 HA 2AG A 2 1.330 5.726 0.706 1.00 1.00 H HETATM 20 H 2AG A 2 -1.468 5.488 1.445 1.00 1.00 H ATOM 21 N CYS A 3 -0.619 3.891 -0.961 1.00 1.00 N ATOM 22 CA CYS A 3 -0.740 2.981 -2.098 1.00 1.00 C ATOM 23 C CYS A 3 0.411 3.174 -3.086 1.00 1.00 C ATOM 24 O CYS A 3 0.557 2.407 -4.038 1.00 1.00 O ATOM 25 CB CYS A 3 -2.090 3.208 -2.786 1.00 1.00 C ATOM 26 SG CYS A 3 -3.045 1.683 -2.750 1.00 1.00 S ATOM 27 H CYS A 3 -1.394 4.424 -0.687 1.00 1.00 H ATOM 28 HA CYS A 3 -0.709 1.960 -1.738 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.632 3.969 -2.250 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.943 3.514 -3.810 1.00 1.00 H ATOM 31 N SER A 4 1.236 4.189 -2.841 1.00 1.00 N ATOM 32 CA SER A 4 2.383 4.460 -3.702 1.00 1.00 C ATOM 33 C SER A 4 3.631 3.810 -3.113 1.00 1.00 C ATOM 34 O SER A 4 4.698 3.805 -3.728 1.00 1.00 O ATOM 35 CB SER A 4 2.599 5.969 -3.827 1.00 1.00 C ATOM 36 OG SER A 4 3.959 6.224 -4.150 1.00 1.00 O ATOM 37 H SER A 4 1.080 4.759 -2.061 1.00 1.00 H ATOM 38 HA SER A 4 2.198 4.047 -4.684 1.00 1.00 H ATOM 39 HB2 SER A 4 1.970 6.364 -4.607 1.00 1.00 H ATOM 40 HB3 SER A 4 2.346 6.446 -2.888 1.00 1.00 H ATOM 41 HG SER A 4 4.141 5.823 -5.002 1.00 1.00 H ATOM 42 N ASP A 5 3.477 3.261 -1.911 1.00 1.00 N ATOM 43 CA ASP A 5 4.574 2.603 -1.211 1.00 1.00 C ATOM 44 C ASP A 5 4.374 1.084 -1.226 1.00 1.00 C ATOM 45 O ASP A 5 3.294 0.597 -0.892 1.00 1.00 O ATOM 46 CB ASP A 5 4.616 3.103 0.239 1.00 1.00 C ATOM 47 CG ASP A 5 5.555 2.236 1.072 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.671 2.016 0.633 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.142 1.807 2.136 1.00 1.00 O ATOM 50 H ASP A 5 2.601 3.304 -1.481 1.00 1.00 H ATOM 51 HA ASP A 5 5.505 2.852 -1.691 1.00 1.00 H ATOM 52 HB2 ASP A 5 4.966 4.125 0.250 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.620 3.064 0.662 1.00 1.00 H ATOM 54 N PRO A 6 5.381 0.327 -1.598 1.00 1.00 N ATOM 55 CA PRO A 6 5.265 -1.160 -1.631 1.00 1.00 C ATOM 56 C PRO A 6 4.854 -1.736 -0.277 1.00 1.00 C ATOM 57 O PRO A 6 4.248 -2.805 -0.204 1.00 1.00 O ATOM 58 CB PRO A 6 6.670 -1.618 -2.018 1.00 1.00 C ATOM 59 CG PRO A 6 7.214 -0.516 -2.863 1.00 1.00 C ATOM 60 CD PRO A 6 6.550 0.780 -2.380 1.00 1.00 C ATOM 61 HA PRO A 6 4.565 -1.462 -2.392 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.278 -1.753 -1.132 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.624 -2.535 -2.587 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.289 -0.454 -2.744 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.967 -0.685 -3.900 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.232 1.341 -1.756 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.227 1.374 -3.221 1.00 1.00 H ATOM 68 N ARG A 7 5.186 -1.018 0.791 1.00 1.00 N ATOM 69 CA ARG A 7 4.847 -1.463 2.139 1.00 1.00 C ATOM 70 C ARG A 7 3.396 -1.109 2.456 1.00 1.00 C ATOM 71 O ARG A 7 2.872 -1.460 3.512 1.00 1.00 O ATOM 72 CB ARG A 7 5.784 -0.793 3.156 1.00 1.00 C ATOM 73 CG ARG A 7 6.589 -1.856 3.910 1.00 1.00 C ATOM 74 CD ARG A 7 7.357 -1.199 5.060 1.00 1.00 C ATOM 75 NE ARG A 7 8.521 -2.002 5.413 1.00 1.00 N ATOM 76 CZ ARG A 7 9.181 -1.791 6.547 1.00 1.00 C ATOM 77 NH1 ARG A 7 8.780 -0.862 7.371 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.228 -2.514 6.836 1.00 1.00 N ATOM 79 H ARG A 7 5.668 -0.171 0.669 1.00 1.00 H ATOM 80 HA ARG A 7 4.967 -2.535 2.196 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.464 -0.135 2.634 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.204 -0.218 3.864 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.917 -2.604 4.307 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.289 -2.324 3.234 1.00 1.00 H ATOM 85 HD2 ARG A 7 7.684 -0.216 4.758 1.00 1.00 H ATOM 86 HD3 ARG A 7 6.706 -1.110 5.918 1.00 1.00 H ATOM 87 HE ARG A 7 8.824 -2.707 4.803 1.00 1.00 H ATOM 88 HH11 ARG A 7 7.976 -0.310 7.149 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.276 -0.703 8.225 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.533 -3.227 6.205 1.00 1.00 H ATOM 91 HH22 ARG A 7 10.726 -2.355 7.689 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.000 1.957 2.223 1.00 1.00 C HETATM 93 CB 2AG A 8 1.360 1.520 1.935 1.00 1.00 C HETATM 94 CA 2AG A 8 1.384 0.014 1.677 1.00 1.00 C HETATM 95 C 2AG A 8 0.614 -0.314 0.399 1.00 1.00 C HETATM 96 O 2AG A 8 -0.182 0.488 -0.083 1.00 1.00 O HETATM 97 N 2AG A 8 2.763 -0.406 1.526 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.771 1.224 2.350 1.00 1.00 H HETATM 99 HB2 2AG A 8 1.995 1.748 2.777 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.725 2.029 1.061 1.00 1.00 H HETATM 101 HA 2AG A 8 0.934 -0.501 2.513 1.00 1.00 H HETATM 102 H 2AG A 8 3.238 -0.155 0.715 1.00 1.00 H ATOM 103 N ALA A 9 0.877 -1.501 -0.149 1.00 1.00 N ATOM 104 CA ALA A 9 0.222 -1.937 -1.381 1.00 1.00 C ATOM 105 C ALA A 9 -1.133 -2.573 -1.083 1.00 1.00 C ATOM 106 O ALA A 9 -1.622 -3.409 -1.843 1.00 1.00 O ATOM 107 CB ALA A 9 1.110 -2.946 -2.112 1.00 1.00 C ATOM 108 H ALA A 9 1.531 -2.090 0.280 1.00 1.00 H ATOM 109 HA ALA A 9 0.073 -1.080 -2.021 1.00 1.00 H ATOM 110 HB1 ALA A 9 2.129 -2.589 -2.120 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.759 -3.063 -3.128 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.066 -3.897 -1.604 1.00 1.00 H ATOM 113 N TRP A 10 -1.731 -2.166 0.025 1.00 1.00 N ATOM 114 CA TRP A 10 -3.029 -2.683 0.432 1.00 1.00 C ATOM 115 C TRP A 10 -4.155 -1.966 -0.305 1.00 1.00 C ATOM 116 O TRP A 10 -3.967 -0.859 -0.808 1.00 1.00 O ATOM 117 CB TRP A 10 -3.198 -2.457 1.922 1.00 1.00 C ATOM 118 CG TRP A 10 -3.523 -1.020 2.153 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.700 0.019 1.893 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.756 -0.447 2.649 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.334 1.191 2.248 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.607 0.955 2.716 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.970 -1.010 3.059 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.625 1.776 3.176 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.011 -0.187 3.521 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.837 1.206 3.584 1.00 1.00 C ATOM 127 H TRP A 10 -1.291 -1.499 0.587 1.00 1.00 H ATOM 128 HA TRP A 10 -3.081 -3.740 0.229 1.00 1.00 H ATOM 129 HB2 TRP A 10 -3.999 -3.075 2.292 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.281 -2.706 2.433 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.707 -0.051 1.491 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.948 2.089 2.178 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.105 -2.081 2.998 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.474 2.842 3.221 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.946 -0.627 3.835 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.639 1.837 3.939 1.00 1.00 H ATOM 137 N ARG A 11 -5.328 -2.598 -0.350 1.00 1.00 N ATOM 138 CA ARG A 11 -6.485 -2.005 -1.021 1.00 1.00 C ATOM 139 C ARG A 11 -6.040 -1.295 -2.293 1.00 1.00 C ATOM 140 O ARG A 11 -6.741 -0.441 -2.836 1.00 1.00 O ATOM 141 CB ARG A 11 -7.187 -1.020 -0.077 1.00 1.00 C ATOM 142 CG ARG A 11 -8.335 -0.311 -0.812 1.00 1.00 C ATOM 143 CD ARG A 11 -9.472 0.011 0.170 1.00 1.00 C ATOM 144 NE ARG A 11 -10.436 -1.088 0.206 1.00 1.00 N ATOM 145 CZ ARG A 11 -10.408 -2.013 1.164 1.00 1.00 C ATOM 146 NH1 ARG A 11 -9.516 -1.950 2.115 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.280 -2.984 1.155 1.00 1.00 N ATOM 148 H ARG A 11 -5.419 -3.474 0.080 1.00 1.00 H ATOM 149 HA ARG A 11 -7.173 -2.790 -1.285 1.00 1.00 H ATOM 150 HB2 ARG A 11 -7.579 -1.562 0.772 1.00 1.00 H ATOM 151 HB3 ARG A 11 -6.475 -0.284 0.267 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.968 0.607 -1.247 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.713 -0.953 -1.594 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.066 0.169 1.156 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.973 0.914 -0.154 1.00 1.00 H ATOM 156 HE ARG A 11 -11.119 -1.147 -0.495 1.00 1.00 H ATOM 157 HH11 ARG A 11 -8.849 -1.206 2.128 1.00 1.00 H ATOM 158 HH12 ARG A 11 -9.500 -2.647 2.833 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.965 -3.033 0.430 1.00 1.00 H ATOM 160 HH22 ARG A 11 -11.260 -3.681 1.872 1.00 1.00 H ATOM 161 N CYS A 12 -4.857 -1.666 -2.748 1.00 1.00 N ATOM 162 CA CYS A 12 -4.274 -1.082 -3.950 1.00 1.00 C ATOM 163 C CYS A 12 -4.715 -1.854 -5.191 1.00 1.00 C ATOM 164 O CYS A 12 -4.730 -1.308 -6.294 1.00 1.00 O ATOM 165 CB CYS A 12 -2.744 -1.100 -3.834 1.00 1.00 C ATOM 166 SG CYS A 12 -2.104 0.555 -4.131 1.00 1.00 S ATOM 167 H CYS A 12 -4.358 -2.351 -2.253 1.00 1.00 H ATOM 168 HA CYS A 12 -4.603 -0.054 -4.039 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.467 -1.415 -2.842 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.323 -1.779 -4.553 1.00 1.00 H HETATM 171 N NH2 A 13 -5.079 -3.102 -5.074 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -5.067 -3.534 -4.195 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -5.364 -3.605 -5.865 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 19 ATOM 1 N GLY A 1 -3.120 7.354 -1.404 1.00 1.00 N ATOM 2 CA GLY A 1 -2.491 7.157 -0.066 1.00 1.00 C ATOM 3 C GLY A 1 -1.179 6.397 -0.227 1.00 1.00 C ATOM 4 O GLY A 1 -0.578 6.399 -1.302 1.00 1.00 O ATOM 5 H1 GLY A 1 -3.219 6.436 -1.878 1.00 1.00 H ATOM 6 H2 GLY A 1 -2.520 7.980 -1.979 1.00 1.00 H ATOM 7 H3 GLY A 1 -4.059 7.783 -1.285 1.00 1.00 H ATOM 8 HA2 GLY A 1 -2.299 8.119 0.386 1.00 1.00 H ATOM 9 HA3 GLY A 1 -3.156 6.588 0.565 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.179 3.330 2.492 1.00 1.00 C HETATM 11 CB 2AG A 2 0.791 4.396 2.198 1.00 1.00 C HETATM 12 CA 2AG A 2 0.503 4.988 0.811 1.00 1.00 C HETATM 13 C 2AG A 2 0.419 3.881 -0.237 1.00 1.00 C HETATM 14 O 2AG A 2 1.411 3.221 -0.544 1.00 1.00 O HETATM 15 N 2AG A 2 -0.740 5.749 0.847 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.199 3.597 2.716 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.796 4.011 2.227 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.693 5.178 2.939 1.00 1.00 H HETATM 19 HA 2AG A 2 1.308 5.654 0.544 1.00 1.00 H HETATM 20 H 2AG A 2 -1.260 5.782 1.676 1.00 1.00 H ATOM 21 N CYS A 3 -0.774 3.696 -0.789 1.00 1.00 N ATOM 22 CA CYS A 3 -0.990 2.677 -1.813 1.00 1.00 C ATOM 23 C CYS A 3 0.146 2.680 -2.835 1.00 1.00 C ATOM 24 O CYS A 3 0.305 1.729 -3.601 1.00 1.00 O ATOM 25 CB CYS A 3 -2.335 2.924 -2.507 1.00 1.00 C ATOM 26 SG CYS A 3 -3.420 1.490 -2.293 1.00 1.00 S ATOM 27 H CYS A 3 -1.522 4.263 -0.509 1.00 1.00 H ATOM 28 HA CYS A 3 -1.021 1.713 -1.339 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.804 3.785 -2.058 1.00 1.00 H ATOM 30 HB3 CYS A 3 -2.179 3.105 -3.561 1.00 1.00 H ATOM 31 N SER A 4 0.940 3.746 -2.833 1.00 1.00 N ATOM 32 CA SER A 4 2.066 3.851 -3.756 1.00 1.00 C ATOM 33 C SER A 4 3.289 3.150 -3.176 1.00 1.00 C ATOM 34 O SER A 4 4.073 2.538 -3.902 1.00 1.00 O ATOM 35 CB SER A 4 2.394 5.320 -4.019 1.00 1.00 C ATOM 36 OG SER A 4 1.285 5.943 -4.654 1.00 1.00 O ATOM 37 H SER A 4 0.773 4.471 -2.195 1.00 1.00 H ATOM 38 HA SER A 4 1.801 3.380 -4.691 1.00 1.00 H ATOM 39 HB2 SER A 4 2.594 5.819 -3.085 1.00 1.00 H ATOM 40 HB3 SER A 4 3.269 5.386 -4.654 1.00 1.00 H ATOM 41 HG SER A 4 0.893 5.306 -5.256 1.00 1.00 H ATOM 42 N ASP A 5 3.441 3.242 -1.858 1.00 1.00 N ATOM 43 CA ASP A 5 4.566 2.612 -1.177 1.00 1.00 C ATOM 44 C ASP A 5 4.399 1.088 -1.174 1.00 1.00 C ATOM 45 O ASP A 5 3.349 0.578 -0.787 1.00 1.00 O ATOM 46 CB ASP A 5 4.647 3.134 0.263 1.00 1.00 C ATOM 47 CG ASP A 5 5.488 2.196 1.124 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.372 1.558 0.578 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.234 2.132 2.315 1.00 1.00 O ATOM 50 H ASP A 5 2.782 3.741 -1.334 1.00 1.00 H ATOM 51 HA ASP A 5 5.474 2.872 -1.688 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.100 4.115 0.260 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.651 3.204 0.678 1.00 1.00 H ATOM 54 N PRO A 6 5.405 0.356 -1.595 1.00 1.00 N ATOM 55 CA PRO A 6 5.324 -1.134 -1.622 1.00 1.00 C ATOM 56 C PRO A 6 4.944 -1.718 -0.263 1.00 1.00 C ATOM 57 O PRO A 6 4.337 -2.786 -0.185 1.00 1.00 O ATOM 58 CB PRO A 6 6.735 -1.559 -2.024 1.00 1.00 C ATOM 59 CG PRO A 6 7.239 -0.450 -2.884 1.00 1.00 C ATOM 60 CD PRO A 6 6.555 0.832 -2.393 1.00 1.00 C ATOM 61 HA PRO A 6 4.623 -1.456 -2.374 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.357 -1.672 -1.147 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.705 -2.480 -2.587 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.314 -0.363 -2.784 1.00 1.00 H ATOM 65 HG3 PRO A 6 6.976 -0.629 -3.915 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.233 1.408 -1.778 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.209 1.420 -3.230 1.00 1.00 H ATOM 68 N ARG A 7 5.300 -1.009 0.803 1.00 1.00 N ATOM 69 CA ARG A 7 4.983 -1.470 2.153 1.00 1.00 C ATOM 70 C ARG A 7 3.533 -1.142 2.489 1.00 1.00 C ATOM 71 O ARG A 7 2.976 -1.643 3.467 1.00 1.00 O ATOM 72 CB ARG A 7 5.920 -0.802 3.167 1.00 1.00 C ATOM 73 CG ARG A 7 6.104 -1.713 4.382 1.00 1.00 C ATOM 74 CD ARG A 7 6.932 -0.985 5.440 1.00 1.00 C ATOM 75 NE ARG A 7 8.158 -0.458 4.850 1.00 1.00 N ATOM 76 CZ ARG A 7 9.166 -0.045 5.611 1.00 1.00 C ATOM 77 NH1 ARG A 7 9.071 -0.109 6.911 1.00 1.00 N ATOM 78 NH2 ARG A 7 10.251 0.423 5.059 1.00 1.00 N ATOM 79 H ARG A 7 5.778 -0.160 0.680 1.00 1.00 H ATOM 80 HA ARG A 7 5.122 -2.540 2.199 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.879 -0.623 2.706 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.495 0.137 3.488 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.136 -1.967 4.791 1.00 1.00 H ATOM 84 HG3 ARG A 7 6.617 -2.614 4.082 1.00 1.00 H ATOM 85 HD2 ARG A 7 6.355 -0.168 5.848 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.181 -1.674 6.230 1.00 1.00 H ATOM 87 HE ARG A 7 8.240 -0.408 3.875 1.00 1.00 H ATOM 88 HH11 ARG A 7 8.239 -0.470 7.335 1.00 1.00 H ATOM 89 HH12 ARG A 7 9.829 0.202 7.484 1.00 1.00 H ATOM 90 HH21 ARG A 7 10.324 0.472 4.062 1.00 1.00 H ATOM 91 HH22 ARG A 7 11.009 0.735 5.632 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.175 2.027 2.486 1.00 1.00 C HETATM 93 CB 2AG A 8 1.538 1.614 2.187 1.00 1.00 C HETATM 94 CA 2AG A 8 1.558 0.125 1.845 1.00 1.00 C HETATM 95 C 2AG A 8 0.779 -0.107 0.553 1.00 1.00 C HETATM 96 O 2AG A 8 -0.043 0.714 0.163 1.00 1.00 O HETATM 97 N 2AG A 8 2.934 -0.293 1.664 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.560 1.277 2.706 1.00 1.00 H HETATM 99 HB2 2AG A 8 2.167 1.798 3.044 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.905 2.168 1.342 1.00 1.00 H HETATM 101 HA 2AG A 8 1.106 -0.435 2.649 1.00 1.00 H HETATM 102 H 2AG A 8 3.434 0.069 0.912 1.00 1.00 H ATOM 103 N ALA A 9 1.062 -1.224 -0.112 1.00 1.00 N ATOM 104 CA ALA A 9 0.398 -1.553 -1.376 1.00 1.00 C ATOM 105 C ALA A 9 -0.922 -2.285 -1.134 1.00 1.00 C ATOM 106 O ALA A 9 -1.283 -3.199 -1.875 1.00 1.00 O ATOM 107 CB ALA A 9 1.315 -2.430 -2.229 1.00 1.00 C ATOM 108 H ALA A 9 1.739 -1.832 0.246 1.00 1.00 H ATOM 109 HA ALA A 9 0.200 -0.638 -1.913 1.00 1.00 H ATOM 110 HB1 ALA A 9 2.266 -1.935 -2.361 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.859 -2.596 -3.194 1.00 1.00 H ATOM 112 HB3 ALA A 9 1.468 -3.378 -1.736 1.00 1.00 H ATOM 113 N TRP A 10 -1.628 -1.882 -0.086 1.00 1.00 N ATOM 114 CA TRP A 10 -2.898 -2.499 0.275 1.00 1.00 C ATOM 115 C TRP A 10 -4.080 -1.807 -0.403 1.00 1.00 C ATOM 116 O TRP A 10 -3.996 -0.644 -0.793 1.00 1.00 O ATOM 117 CB TRP A 10 -3.064 -2.421 1.783 1.00 1.00 C ATOM 118 CG TRP A 10 -3.358 -1.012 2.181 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.490 0.022 2.106 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.594 -0.468 2.705 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.110 1.161 2.576 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.409 0.909 2.956 1.00 1.00 C ATOM 123 CE3 TRP A 10 -5.839 -1.037 2.990 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.426 1.699 3.476 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -6.877 -0.245 3.514 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.669 1.122 3.759 1.00 1.00 C ATOM 127 H TRP A 10 -1.281 -1.161 0.469 1.00 1.00 H ATOM 128 HA TRP A 10 -2.886 -3.536 -0.016 1.00 1.00 H ATOM 129 HB2 TRP A 10 -3.876 -3.056 2.085 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.153 -2.748 2.263 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.479 -0.031 1.747 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.696 2.047 2.638 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.002 -2.087 2.791 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.252 2.747 3.661 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -7.835 -0.691 3.734 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.468 1.727 4.162 1.00 1.00 H ATOM 137 N ARG A 11 -5.190 -2.534 -0.523 1.00 1.00 N ATOM 138 CA ARG A 11 -6.399 -1.993 -1.142 1.00 1.00 C ATOM 139 C ARG A 11 -6.068 -1.253 -2.427 1.00 1.00 C ATOM 140 O ARG A 11 -6.894 -0.518 -2.969 1.00 1.00 O ATOM 141 CB ARG A 11 -7.117 -1.051 -0.166 1.00 1.00 C ATOM 142 CG ARG A 11 -8.170 -1.829 0.635 1.00 1.00 C ATOM 143 CD ARG A 11 -9.477 -1.897 -0.159 1.00 1.00 C ATOM 144 NE ARG A 11 -10.268 -0.692 0.072 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.124 -0.240 -0.840 1.00 1.00 C ATOM 146 NH1 ARG A 11 -11.271 -0.875 -1.971 1.00 1.00 N ATOM 147 NH2 ARG A 11 -11.817 0.840 -0.604 1.00 1.00 N ATOM 148 H ARG A 11 -5.197 -3.453 -0.183 1.00 1.00 H ATOM 149 HA ARG A 11 -7.052 -2.813 -1.384 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.392 -0.624 0.513 1.00 1.00 H ATOM 151 HB3 ARG A 11 -7.600 -0.258 -0.716 1.00 1.00 H ATOM 152 HG2 ARG A 11 -7.811 -2.831 0.827 1.00 1.00 H ATOM 153 HG3 ARG A 11 -8.349 -1.327 1.574 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.256 -1.983 -1.212 1.00 1.00 H ATOM 155 HD3 ARG A 11 -10.042 -2.763 0.157 1.00 1.00 H ATOM 156 HE ARG A 11 -10.166 -0.207 0.917 1.00 1.00 H ATOM 157 HH11 ARG A 11 -10.740 -1.702 -2.153 1.00 1.00 H ATOM 158 HH12 ARG A 11 -11.914 -0.533 -2.656 1.00 1.00 H ATOM 159 HH21 ARG A 11 -11.704 1.326 0.264 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.461 1.181 -1.288 1.00 1.00 H ATOM 161 N CYS A 12 -4.857 -1.458 -2.906 1.00 1.00 N ATOM 162 CA CYS A 12 -4.406 -0.824 -4.122 1.00 1.00 C ATOM 163 C CYS A 12 -4.961 -1.547 -5.345 1.00 1.00 C ATOM 164 O CYS A 12 -6.130 -1.931 -5.367 1.00 1.00 O ATOM 165 CB CYS A 12 -2.887 -0.856 -4.149 1.00 1.00 C ATOM 166 SG CYS A 12 -2.228 -0.103 -2.643 1.00 1.00 S ATOM 167 H CYS A 12 -4.250 -2.051 -2.430 1.00 1.00 H ATOM 168 HA CYS A 12 -4.737 0.201 -4.136 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.550 -1.876 -4.214 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.543 -0.315 -4.997 1.00 1.00 H HETATM 171 N NH2 A 13 -4.185 -1.756 -6.372 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -3.254 -1.450 -6.354 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.532 -2.221 -7.162 1.00 1.00 H TER 174 NH2 A 13 ENDMDL MODEL 20 ATOM 1 N GLY A 1 -2.279 7.937 -1.395 1.00 1.00 N ATOM 2 CA GLY A 1 -1.762 7.727 -0.014 1.00 1.00 C ATOM 3 C GLY A 1 -0.505 6.867 -0.067 1.00 1.00 C ATOM 4 O GLY A 1 0.370 7.084 -0.907 1.00 1.00 O ATOM 5 H1 GLY A 1 -2.451 7.016 -1.846 1.00 1.00 H ATOM 6 H2 GLY A 1 -1.577 8.469 -1.950 1.00 1.00 H ATOM 7 H3 GLY A 1 -3.170 8.472 -1.355 1.00 1.00 H ATOM 8 HA2 GLY A 1 -1.527 8.683 0.432 1.00 1.00 H ATOM 9 HA3 GLY A 1 -2.512 7.226 0.581 1.00 1.00 H HETATM 10 C1E 2AG A 2 -0.250 3.276 2.282 1.00 1.00 C HETATM 11 CB 2AG A 2 0.813 4.287 2.213 1.00 1.00 C HETATM 12 CA 2AG A 2 0.742 5.011 0.866 1.00 1.00 C HETATM 13 C 2AG A 2 0.679 4.003 -0.279 1.00 1.00 C HETATM 14 O 2AG A 2 1.665 3.346 -0.596 1.00 1.00 O HETATM 15 N 2AG A 2 -0.417 5.892 0.831 1.00 1.00 N HETATM 16 H1E 2AG A 2 -1.268 3.595 2.435 1.00 1.00 H HETATM 17 HB2 2AG A 2 1.780 3.828 2.325 1.00 1.00 H HETATM 18 HB3 2AG A 2 0.672 5.007 3.007 1.00 1.00 H HETATM 19 HA 2AG A 2 1.629 5.607 0.746 1.00 1.00 H HETATM 20 H 2AG A 2 -1.143 5.762 1.477 1.00 1.00 H ATOM 21 N CYS A 3 -0.482 3.910 -0.909 1.00 1.00 N ATOM 22 CA CYS A 3 -0.664 3.003 -2.040 1.00 1.00 C ATOM 23 C CYS A 3 0.457 3.175 -3.062 1.00 1.00 C ATOM 24 O CYS A 3 0.577 2.390 -4.004 1.00 1.00 O ATOM 25 CB CYS A 3 -2.034 3.247 -2.677 1.00 1.00 C ATOM 26 SG CYS A 3 -3.006 1.734 -2.602 1.00 1.00 S ATOM 27 H CYS A 3 -1.227 4.476 -0.620 1.00 1.00 H ATOM 28 HA CYS A 3 -0.634 1.983 -1.678 1.00 1.00 H ATOM 29 HB2 CYS A 3 -2.546 4.016 -2.122 1.00 1.00 H ATOM 30 HB3 CYS A 3 -1.922 3.550 -3.707 1.00 1.00 H ATOM 31 N SER A 4 1.294 4.187 -2.853 1.00 1.00 N ATOM 32 CA SER A 4 2.423 4.432 -3.743 1.00 1.00 C ATOM 33 C SER A 4 3.671 3.774 -3.164 1.00 1.00 C ATOM 34 O SER A 4 4.697 3.644 -3.832 1.00 1.00 O ATOM 35 CB SER A 4 2.653 5.936 -3.895 1.00 1.00 C ATOM 36 OG SER A 4 1.493 6.533 -4.460 1.00 1.00 O ATOM 37 H SER A 4 1.163 4.766 -2.075 1.00 1.00 H ATOM 38 HA SER A 4 2.214 4.006 -4.714 1.00 1.00 H ATOM 39 HB2 SER A 4 2.844 6.373 -2.929 1.00 1.00 H ATOM 40 HB3 SER A 4 3.507 6.106 -4.539 1.00 1.00 H ATOM 41 HG SER A 4 1.630 7.482 -4.485 1.00 1.00 H ATOM 42 N ASP A 5 3.556 3.359 -1.905 1.00 1.00 N ATOM 43 CA ASP A 5 4.649 2.705 -1.197 1.00 1.00 C ATOM 44 C ASP A 5 4.454 1.184 -1.212 1.00 1.00 C ATOM 45 O ASP A 5 3.385 0.694 -0.851 1.00 1.00 O ATOM 46 CB ASP A 5 4.681 3.199 0.254 1.00 1.00 C ATOM 47 CG ASP A 5 5.650 2.354 1.076 1.00 1.00 C ATOM 48 OD1 ASP A 5 6.735 2.086 0.586 1.00 1.00 O ATOM 49 OD2 ASP A 5 5.293 1.990 2.184 1.00 1.00 O ATOM 50 H ASP A 5 2.707 3.495 -1.440 1.00 1.00 H ATOM 51 HA ASP A 5 5.583 2.958 -1.672 1.00 1.00 H ATOM 52 HB2 ASP A 5 5.002 4.230 0.272 1.00 1.00 H ATOM 53 HB3 ASP A 5 3.689 3.124 0.681 1.00 1.00 H ATOM 54 N PRO A 6 5.452 0.435 -1.614 1.00 1.00 N ATOM 55 CA PRO A 6 5.340 -1.053 -1.653 1.00 1.00 C ATOM 56 C PRO A 6 4.925 -1.641 -0.304 1.00 1.00 C ATOM 57 O PRO A 6 4.344 -2.725 -0.242 1.00 1.00 O ATOM 58 CB PRO A 6 6.747 -1.507 -2.038 1.00 1.00 C ATOM 59 CG PRO A 6 7.296 -0.396 -2.870 1.00 1.00 C ATOM 60 CD PRO A 6 6.630 0.895 -2.379 1.00 1.00 C ATOM 61 HA PRO A 6 4.644 -1.354 -2.419 1.00 1.00 H ATOM 62 HB2 PRO A 6 7.351 -1.650 -1.152 1.00 1.00 H ATOM 63 HB3 PRO A 6 6.705 -2.417 -2.616 1.00 1.00 H ATOM 64 HG2 PRO A 6 8.369 -0.336 -2.743 1.00 1.00 H ATOM 65 HG3 PRO A 6 7.054 -0.556 -3.910 1.00 1.00 H ATOM 66 HD2 PRO A 6 7.306 1.448 -1.742 1.00 1.00 H ATOM 67 HD3 PRO A 6 6.316 1.498 -3.217 1.00 1.00 H ATOM 68 N ARG A 7 5.228 -0.921 0.772 1.00 1.00 N ATOM 69 CA ARG A 7 4.883 -1.383 2.116 1.00 1.00 C ATOM 70 C ARG A 7 3.455 -0.974 2.470 1.00 1.00 C ATOM 71 O ARG A 7 3.025 -1.105 3.616 1.00 1.00 O ATOM 72 CB ARG A 7 5.866 -0.786 3.135 1.00 1.00 C ATOM 73 CG ARG A 7 6.639 -1.909 3.838 1.00 1.00 C ATOM 74 CD ARG A 7 7.701 -1.311 4.769 1.00 1.00 C ATOM 75 NE ARG A 7 7.675 -1.989 6.060 1.00 1.00 N ATOM 76 CZ ARG A 7 6.648 -1.842 6.890 1.00 1.00 C ATOM 77 NH1 ARG A 7 5.645 -1.079 6.557 1.00 1.00 N ATOM 78 NH2 ARG A 7 6.645 -2.463 8.038 1.00 1.00 N ATOM 79 H ARG A 7 5.693 -0.065 0.662 1.00 1.00 H ATOM 80 HA ARG A 7 4.955 -2.461 2.145 1.00 1.00 H ATOM 81 HB2 ARG A 7 6.563 -0.140 2.621 1.00 1.00 H ATOM 82 HB3 ARG A 7 5.325 -0.211 3.872 1.00 1.00 H ATOM 83 HG2 ARG A 7 5.950 -2.508 4.418 1.00 1.00 H ATOM 84 HG3 ARG A 7 7.119 -2.532 3.098 1.00 1.00 H ATOM 85 HD2 ARG A 7 8.679 -1.432 4.325 1.00 1.00 H ATOM 86 HD3 ARG A 7 7.506 -0.257 4.913 1.00 1.00 H ATOM 87 HE ARG A 7 8.426 -2.563 6.318 1.00 1.00 H ATOM 88 HH11 ARG A 7 5.647 -0.603 5.678 1.00 1.00 H ATOM 89 HH12 ARG A 7 4.872 -0.968 7.182 1.00 1.00 H ATOM 90 HH21 ARG A 7 7.414 -3.047 8.293 1.00 1.00 H ATOM 91 HH22 ARG A 7 5.872 -2.353 8.663 1.00 1.00 H HETATM 92 C1E 2AG A 8 0.015 1.961 2.151 1.00 1.00 C HETATM 93 CB 2AG A 8 1.374 1.480 1.936 1.00 1.00 C HETATM 94 CA 2AG A 8 1.365 -0.027 1.672 1.00 1.00 C HETATM 95 C 2AG A 8 0.544 -0.347 0.422 1.00 1.00 C HETATM 96 O 2AG A 8 -0.241 0.475 -0.047 1.00 1.00 O HETATM 97 N 2AG A 8 2.733 -0.469 1.478 1.00 1.00 N HETATM 98 H1E 2AG A 8 -0.788 1.256 2.203 1.00 1.00 H HETATM 99 HB2 2AG A 8 1.967 1.681 2.815 1.00 1.00 H HETATM 100 HB3 2AG A 8 1.806 1.983 1.089 1.00 1.00 H HETATM 101 HA 2AG A 8 0.937 -0.537 2.522 1.00 1.00 H HETATM 102 H 2AG A 8 3.132 -0.381 0.593 1.00 1.00 H ATOM 103 N ALA A 9 0.749 -1.551 -0.118 1.00 1.00 N ATOM 104 CA ALA A 9 0.038 -1.982 -1.322 1.00 1.00 C ATOM 105 C ALA A 9 -1.282 -2.660 -0.966 1.00 1.00 C ATOM 106 O ALA A 9 -1.691 -3.628 -1.609 1.00 1.00 O ATOM 107 CB ALA A 9 0.912 -2.952 -2.120 1.00 1.00 C ATOM 108 H ALA A 9 1.396 -2.157 0.298 1.00 1.00 H ATOM 109 HA ALA A 9 -0.167 -1.118 -1.937 1.00 1.00 H ATOM 110 HB1 ALA A 9 1.924 -2.573 -2.162 1.00 1.00 H ATOM 111 HB2 ALA A 9 0.522 -3.048 -3.122 1.00 1.00 H ATOM 112 HB3 ALA A 9 0.910 -3.918 -1.637 1.00 1.00 H ATOM 113 N TRP A 10 -1.941 -2.139 0.058 1.00 1.00 N ATOM 114 CA TRP A 10 -3.216 -2.676 0.509 1.00 1.00 C ATOM 115 C TRP A 10 -4.365 -2.061 -0.275 1.00 1.00 C ATOM 116 O TRP A 10 -4.281 -0.914 -0.714 1.00 1.00 O ATOM 117 CB TRP A 10 -3.395 -2.357 1.981 1.00 1.00 C ATOM 118 CG TRP A 10 -3.641 -0.892 2.139 1.00 1.00 C ATOM 119 CD1 TRP A 10 -2.731 0.085 1.924 1.00 1.00 C ATOM 120 CD2 TRP A 10 -4.868 -0.223 2.521 1.00 1.00 C ATOM 121 NE1 TRP A 10 -3.316 1.307 2.181 1.00 1.00 N ATOM 122 CE2 TRP A 10 -4.633 1.169 2.551 1.00 1.00 C ATOM 123 CE3 TRP A 10 -6.145 -0.689 2.851 1.00 1.00 C ATOM 124 CZ2 TRP A 10 -5.628 2.072 2.897 1.00 1.00 C ATOM 125 CZ3 TRP A 10 -7.163 0.217 3.200 1.00 1.00 C ATOM 126 CH2 TRP A 10 -6.903 1.597 3.226 1.00 1.00 C ATOM 127 H TRP A 10 -1.563 -1.373 0.523 1.00 1.00 H ATOM 128 HA TRP A 10 -3.227 -3.745 0.378 1.00 1.00 H ATOM 129 HB2 TRP A 10 -4.237 -2.907 2.365 1.00 1.00 H ATOM 130 HB3 TRP A 10 -2.506 -2.635 2.520 1.00 1.00 H ATOM 131 HD1 TRP A 10 -1.715 -0.062 1.612 1.00 1.00 H ATOM 132 HE1 TRP A 10 -2.867 2.175 2.113 1.00 1.00 H ATOM 133 HE3 TRP A 10 -6.347 -1.751 2.823 1.00 1.00 H ATOM 134 HZ2 TRP A 10 -5.412 3.128 2.914 1.00 1.00 H ATOM 135 HZ3 TRP A 10 -8.146 -0.151 3.454 1.00 1.00 H ATOM 136 HH2 TRP A 10 -7.686 2.291 3.495 1.00 1.00 H ATOM 137 N ARG A 11 -5.440 -2.827 -0.443 1.00 1.00 N ATOM 138 CA ARG A 11 -6.608 -2.345 -1.182 1.00 1.00 C ATOM 139 C ARG A 11 -6.161 -1.527 -2.382 1.00 1.00 C ATOM 140 O ARG A 11 -6.919 -0.732 -2.935 1.00 1.00 O ATOM 141 CB ARG A 11 -7.487 -1.480 -0.275 1.00 1.00 C ATOM 142 CG ARG A 11 -8.381 -2.372 0.592 1.00 1.00 C ATOM 143 CD ARG A 11 -9.442 -1.513 1.287 1.00 1.00 C ATOM 144 NE ARG A 11 -10.751 -1.748 0.686 1.00 1.00 N ATOM 145 CZ ARG A 11 -11.180 -1.024 -0.344 1.00 1.00 C ATOM 146 NH1 ARG A 11 -10.436 -0.067 -0.827 1.00 1.00 N ATOM 147 NH2 ARG A 11 -12.349 -1.269 -0.870 1.00 1.00 N ATOM 148 H ARG A 11 -5.446 -3.730 -0.064 1.00 1.00 H ATOM 149 HA ARG A 11 -7.175 -3.191 -1.530 1.00 1.00 H ATOM 150 HB2 ARG A 11 -6.856 -0.876 0.362 1.00 1.00 H ATOM 151 HB3 ARG A 11 -8.105 -0.838 -0.881 1.00 1.00 H ATOM 152 HG2 ARG A 11 -8.869 -3.109 -0.030 1.00 1.00 H ATOM 153 HG3 ARG A 11 -7.779 -2.871 1.336 1.00 1.00 H ATOM 154 HD2 ARG A 11 -9.483 -1.771 2.335 1.00 1.00 H ATOM 155 HD3 ARG A 11 -9.182 -0.467 1.189 1.00 1.00 H ATOM 156 HE ARG A 11 -11.324 -2.459 1.044 1.00 1.00 H ATOM 157 HH11 ARG A 11 -9.542 0.124 -0.424 1.00 1.00 H ATOM 158 HH12 ARG A 11 -10.760 0.477 -1.601 1.00 1.00 H ATOM 159 HH21 ARG A 11 -12.922 -1.999 -0.500 1.00 1.00 H ATOM 160 HH22 ARG A 11 -12.673 -0.725 -1.645 1.00 1.00 H ATOM 161 N CYS A 12 -4.912 -1.729 -2.757 1.00 1.00 N ATOM 162 CA CYS A 12 -4.325 -1.012 -3.877 1.00 1.00 C ATOM 163 C CYS A 12 -4.748 -1.639 -5.202 1.00 1.00 C ATOM 164 O CYS A 12 -5.288 -0.957 -6.074 1.00 1.00 O ATOM 165 CB CYS A 12 -2.799 -1.034 -3.742 1.00 1.00 C ATOM 166 SG CYS A 12 -2.153 0.617 -4.047 1.00 1.00 S ATOM 167 H CYS A 12 -4.369 -2.370 -2.256 1.00 1.00 H ATOM 168 HA CYS A 12 -4.661 0.017 -3.848 1.00 1.00 H ATOM 169 HB2 CYS A 12 -2.534 -1.341 -2.744 1.00 1.00 H ATOM 170 HB3 CYS A 12 -2.372 -1.721 -4.451 1.00 1.00 H HETATM 171 N NH2 A 13 -4.534 -2.911 -5.406 1.00 1.00 N HETATM 172 HN1 NH2 A 13 -4.104 -3.452 -4.712 1.00 1.00 H HETATM 173 HN2 NH2 A 13 -4.804 -3.324 -6.253 1.00 1.00 H TER 174 NH2 A 13 ENDMDL CONECT 3 15 CONECT 10 11 16 92 CONECT 11 10 12 17 18 CONECT 12 11 13 15 19 CONECT 13 12 14 21 CONECT 14 13 CONECT 15 3 12 20 CONECT 16 10 CONECT 17 11 CONECT 18 11 CONECT 19 12 CONECT 20 15 CONECT 21 13 CONECT 26 166 CONECT 70 97 CONECT 92 10 93 98 CONECT 93 92 94 99 100 CONECT 94 93 95 97 101 CONECT 95 94 96 103 CONECT 96 95 CONECT 97 70 94 102 CONECT 98 92 CONECT 99 93 CONECT 100 93 CONECT 101 94 CONECT 102 97 CONECT 103 95 CONECT 166 26 CONECT 171 172 173 CONECT 172 171 CONECT 173 171 MASTER 157 0 3 1 0 0 0 6 91 1 31 1 END