HEADER GLYCOPROTEIN 07-NOV-00 1HD4 TITLE SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC TITLE 2 GONADOTROPIN [MODELED WITH DIANTENNARY GLYCAN AT ASN78] COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHORIONIC GONADOTROPIN; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: GLYCOSYLATED AT ASN52 AND ASN78 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 OTHER_DETAILS: ISOLATED FROM URINE OF PREGNANT WOMAN KEYWDS HCG, GLYCOPROTEIN, CHORIONIC GONADOTROPIN, GLYCOPROTEIN KEYWDS 2 STRUCTURE, NMR, XPLOR EXPDTA NMR, 26 STRUCTURES AUTHOR P.J.A.ERBEL,Y.KARIMI-NEJAD,J.A.VAN KUIK,R.BOELENS, AUTHOR 2 J.P.KAMERLING,J.F.G.VLIEGENTHART REVDAT 2 01-APR-03 1HD4 1 JRNL REVDAT 1 07-DEC-00 1HD4 0 JRNL AUTH P.J.ERBEL,Y.KARIMI-NEJAD,J.A.VAN KUIK,R.BOELENS, JRNL AUTH 2 J.P.KAMERLING,J.F.VLIEGENTHART JRNL TITL EFFECTS OF THE N-LINKED GLYCANS ON THE 3D JRNL TITL 2 STRUCTURE OF THE FREE ALPHA-SUBUNIT OF HUMAN JRNL TITL 3 CHORIONIC GONADOTROPIN. JRNL REF BIOCHEMISTRY V. 39 6012 2000 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XPLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HD4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.101 (2007-05-31) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI . REMARK 100 THE EBI ID CODE IS EBI-5506 . REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 328 REMARK 210 PH : 5.1 REMARK 210 IONIC STRENGTH : 100 MM REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR REMARK 210 METHOD USED : DG/SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 150 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 26 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: STRUCTURAL STATISTICS FOR THE FAMILY OF 27 AHCG REMARK 210 CONFORMERS EXCLUDE THE FLEXIBLE LOOP AND ENDS, SEGMENTS 1-10, REMARK 210 29-58 AND 85-92 (SEE REFERENCE) REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 LEU A 26 N - CA - CB ANGL. DEV. = -5.3 DEGREES REMARK 500 3 GLU A 77 N - CA - C ANGL. DEV. = -6.1 DEGREES REMARK 500 4 LEU A 26 N - CA - CB ANGL. DEV. = -5.3 DEGREES REMARK 500 4 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 5 GLU A 77 N - CA - C ANGL. DEV. = -5.4 DEGREES REMARK 500 6 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 7 GLU A 77 N - CA - C ANGL. DEV. = -5.7 DEGREES REMARK 500 8 GLU A 77 N - CA - C ANGL. DEV. = -5.8 DEGREES REMARK 500 9 GLU A 77 N - CA - C ANGL. DEV. = -5.9 DEGREES REMARK 500 10 LEU A 26 N - CA - CB ANGL. DEV. = -5.2 DEGREES REMARK 500 12 LEU A 26 CA - CB - CG ANGL. DEV. = -5.2 DEGREES REMARK 500 12 GLU A 77 N - CA - C ANGL. DEV. = -6.3 DEGREES REMARK 500 13 GLU A 77 N - CA - C ANGL. DEV. = -5.4 DEGREES REMARK 500 15 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 16 GLU A 77 N - CA - C ANGL. DEV. = -5.9 DEGREES REMARK 500 18 LEU A 26 N - CA - CB ANGL. DEV. = -6.2 DEGREES REMARK 500 20 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 22 GLU A 77 N - CA - C ANGL. DEV. = -5.7 DEGREES REMARK 500 23 GLU A 77 N - CA - C ANGL. DEV. = -5.9 DEGREES REMARK 500 24 LEU A 26 N - CA - CB ANGL. DEV. = -5.6 DEGREES REMARK 500 24 LEU A 26 CA - CB - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 24 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 25 LEU A 26 N - CA - CB ANGL. DEV. = -5.2 DEGREES REMARK 500 25 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 26 GLU A 77 N - CA - C ANGL. DEV. = -5.3 DEGREES DBREF 1HD4 A 1 92 UNP P01215 GLHA_HUMAN 25 116 SEQRES 1 A 92 ALA PRO ASP VAL GLN ASP CYS PRO GLU CYS THR LEU GLN SEQRES 2 A 92 GLU ASN PRO PHE PHE SER GLN PRO GLY ALA PRO ILE LEU SEQRES 3 A 92 GLN CYS MET GLY CYS CYS PHE SER ARG ALA TYR PRO THR SEQRES 4 A 92 PRO LEU ARG SER LYS LYS THR MET LEU VAL GLN LYS ASN SEQRES 5 A 92 VAL THR SER GLU SER THR CYS CYS VAL ALA LYS SER TYR SEQRES 6 A 92 ASN ARG VAL THR VAL MET GLY GLY PHE LYS VAL GLU ASN SEQRES 7 A 92 HIS THR ALA CYS HIS CYS SER THR CYS TYR TYR HIS LYS SEQRES 8 A 92 SER MODRES 1HD4 ASN A 78 ASN GLYCOSYLATION SITE HET NAG A 178 27 HET NAG A 179 27 HET BMA A 180 20 HET MAN A 181 21 HET MAN A 182 21 HET NAG A 183 27 HET NAG A 184 27 HET GAL A 185 22 HET GAL A 186 22 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM BMA BETA-D-MANNOSE HETNAM MAN ALPHA-D-MANNOSE HETNAM GAL BETA-D-GALACTOSE HETSYN NAG NAG FORMUL 2 NAG 4(C8 H15 N O6) FORMUL 2 BMA C6 H12 O6 FORMUL 2 MAN 2(C6 H12 O6) FORMUL 2 GAL 2(C6 H12 O6) SSBOND 1 CYS A 7 CYS A 31 SSBOND 2 CYS A 10 CYS A 60 SSBOND 3 CYS A 28 CYS A 82 SSBOND 4 CYS A 32 CYS A 84 SSBOND 5 CYS A 59 CYS A 87 LINK ND2 ASN A 78 C1 NAG A 178 LINK O4 NAG A 178 C1 NAG A 179 LINK O4 NAG A 179 C1 BMA A 180 LINK O6 BMA A 180 C1 MAN A 182 LINK O3 BMA A 180 C1 MAN A 181 LINK O2 MAN A 181 C1 NAG A 184 LINK O2 MAN A 182 C1 NAG A 183 LINK O4 NAG A 183 C1 GAL A 186 LINK O4 NAG A 184 C1 GAL A 185 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 ALA A 1 -6.539 -21.404 -18.706 1.00 0.00 N ATOM 2 CA ALA A 1 -6.236 -20.270 -19.618 1.00 0.00 C ATOM 3 C ALA A 1 -5.618 -19.103 -18.853 1.00 0.00 C ATOM 4 O ALA A 1 -6.198 -18.603 -17.891 1.00 0.00 O ATOM 5 CB ALA A 1 -7.501 -19.820 -20.334 1.00 0.00 C ATOM 6 HA ALA A 1 -5.535 -20.612 -20.363 1.00 0.00 H ATOM 7 HB1 ALA A 1 -8.301 -19.706 -19.616 1.00 0.00 H ATOM 8 HB2 ALA A 1 -7.321 -18.873 -20.823 1.00 0.00 H ATOM 9 HB3 ALA A 1 -7.781 -20.558 -21.070 1.00 0.00 H ATOM 10 H1 ALA A 1 -6.407 -21.071 -17.731 1.00 0.00 H ATOM 11 H2 ALA A 1 -7.525 -21.692 -18.877 1.00 0.00 H ATOM 12 H3 ALA A 1 -5.879 -22.176 -18.930 1.00 0.00 H ATOM 13 N PRO A 2 -4.426 -18.654 -19.277 1.00 0.00 N ATOM 14 CA PRO A 2 -3.722 -17.544 -18.640 1.00 0.00 C ATOM 15 C PRO A 2 -4.271 -16.190 -19.078 1.00 0.00 C ATOM 16 O PRO A 2 -4.889 -16.075 -20.136 1.00 0.00 O ATOM 17 CB PRO A 2 -2.268 -17.704 -19.110 1.00 0.00 C ATOM 18 CG PRO A 2 -2.244 -18.879 -20.041 1.00 0.00 C ATOM 19 CD PRO A 2 -3.669 -19.188 -20.409 1.00 0.00 C ATOM 20 HA PRO A 2 -3.764 -17.616 -17.562 1.00 0.00 H ATOM 21 HB2 PRO A 2 -1.955 -16.802 -19.616 1.00 0.00 H ATOM 22 HB3 PRO A 2 -1.633 -17.873 -18.253 1.00 0.00 H ATOM 23 HG2 PRO A 2 -1.680 -18.630 -20.925 1.00 0.00 H ATOM 24 HG3 PRO A 2 -1.798 -19.728 -19.543 1.00 0.00 H ATOM 25 HD2 PRO A 2 -3.940 -18.686 -21.327 1.00 0.00 H ATOM 26 HD3 PRO A 2 -3.812 -20.254 -20.501 1.00 0.00 H ATOM 27 N ASP A 3 -4.041 -15.167 -18.261 1.00 0.00 N ATOM 28 CA ASP A 3 -4.516 -13.825 -18.573 1.00 0.00 C ATOM 29 C ASP A 3 -3.840 -12.781 -17.690 1.00 0.00 C ATOM 30 O ASP A 3 -2.788 -12.244 -18.039 1.00 0.00 O ATOM 31 CB ASP A 3 -6.034 -13.748 -18.402 1.00 0.00 C ATOM 32 CG ASP A 3 -6.557 -14.782 -17.422 1.00 0.00 C ATOM 33 OD1 ASP A 3 -6.451 -15.990 -17.722 1.00 0.00 O ATOM 34 OD2 ASP A 3 -7.070 -14.385 -16.355 1.00 0.00 O ATOM 35 H ASP A 3 -3.543 -15.318 -17.430 1.00 0.00 H ATOM 36 HA ASP A 3 -4.270 -13.619 -19.604 1.00 0.00 H ATOM 37 HB2 ASP A 3 -6.300 -12.767 -18.037 1.00 0.00 H ATOM 38 HB3 ASP A 3 -6.507 -13.914 -19.358 1.00 0.00 H ATOM 39 N VAL A 4 -4.456 -12.492 -16.549 1.00 0.00 N ATOM 40 CA VAL A 4 -3.921 -11.508 -15.617 1.00 0.00 C ATOM 41 C VAL A 4 -3.626 -12.139 -14.259 1.00 0.00 C ATOM 42 O VAL A 4 -3.631 -13.361 -14.119 1.00 0.00 O ATOM 43 CB VAL A 4 -4.898 -10.333 -15.433 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.119 -9.614 -16.755 1.00 0.00 C ATOM 45 CG2 VAL A 4 -6.219 -10.823 -14.857 1.00 0.00 C ATOM 46 H VAL A 4 -5.294 -12.950 -16.330 1.00 0.00 H ATOM 47 HA VAL A 4 -3.001 -11.122 -16.031 1.00 0.00 H ATOM 48 HB VAL A 4 -4.463 -9.632 -14.736 1.00 0.00 H ATOM 49 HG11 VAL A 4 -4.481 -10.047 -17.511 1.00 0.00 H ATOM 50 HG12 VAL A 4 -6.152 -9.717 -17.052 1.00 0.00 H ATOM 51 HG13 VAL A 4 -4.881 -8.567 -16.640 1.00 0.00 H ATOM 52 HG21 VAL A 4 -6.025 -11.493 -14.032 1.00 0.00 H ATOM 53 HG22 VAL A 4 -6.795 -9.979 -14.509 1.00 0.00 H ATOM 54 HG23 VAL A 4 -6.772 -11.346 -15.623 1.00 0.00 H ATOM 55 N GLN A 5 -3.361 -11.299 -13.260 1.00 0.00 N ATOM 56 CA GLN A 5 -3.055 -11.784 -11.916 1.00 0.00 C ATOM 57 C GLN A 5 -4.075 -11.277 -10.899 1.00 0.00 C ATOM 58 O GLN A 5 -3.791 -11.216 -9.702 1.00 0.00 O ATOM 59 CB GLN A 5 -1.649 -11.345 -11.501 1.00 0.00 C ATOM 60 CG GLN A 5 -0.603 -11.558 -12.582 1.00 0.00 C ATOM 61 CD GLN A 5 0.377 -10.406 -12.684 1.00 0.00 C ATOM 62 OE1 GLN A 5 1.514 -10.501 -12.220 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.057 -9.310 -13.296 1.00 0.00 N ATOM 64 H GLN A 5 -3.365 -10.334 -13.431 1.00 0.00 H ATOM 65 HA GLN A 5 -3.092 -12.862 -11.937 1.00 0.00 H ATOM 66 HB2 GLN A 5 -1.670 -10.294 -11.253 1.00 0.00 H ATOM 67 HB3 GLN A 5 -1.352 -11.906 -10.627 1.00 0.00 H ATOM 68 HG2 GLN A 5 -0.052 -12.460 -12.359 1.00 0.00 H ATOM 69 HG3 GLN A 5 -1.104 -11.670 -13.532 1.00 0.00 H ATOM 70 HE21 GLN A 5 -0.972 -9.305 -13.643 1.00 0.00 H ATOM 71 HE22 GLN A 5 0.557 -8.551 -13.376 1.00 0.00 H ATOM 72 N ASP A 6 -5.260 -10.915 -11.378 1.00 0.00 N ATOM 73 CA ASP A 6 -6.316 -10.413 -10.503 1.00 0.00 C ATOM 74 C ASP A 6 -5.864 -9.146 -9.780 1.00 0.00 C ATOM 75 O ASP A 6 -5.154 -8.317 -10.349 1.00 0.00 O ATOM 76 CB ASP A 6 -6.721 -11.482 -9.486 1.00 0.00 C ATOM 77 CG ASP A 6 -6.995 -12.825 -10.135 1.00 0.00 C ATOM 78 OD1 ASP A 6 -6.028 -13.584 -10.360 1.00 0.00 O ATOM 79 OD2 ASP A 6 -8.175 -13.119 -10.418 1.00 0.00 O ATOM 80 H ASP A 6 -5.429 -10.986 -12.341 1.00 0.00 H ATOM 81 HA ASP A 6 -7.170 -10.173 -11.120 1.00 0.00 H ATOM 82 HB2 ASP A 6 -5.926 -11.607 -8.768 1.00 0.00 H ATOM 83 HB3 ASP A 6 -7.617 -11.162 -8.974 1.00 0.00 H ATOM 84 N CYS A 7 -6.280 -8.997 -8.524 1.00 0.00 N ATOM 85 CA CYS A 7 -5.915 -7.827 -7.733 1.00 0.00 C ATOM 86 C CYS A 7 -5.591 -8.220 -6.293 1.00 0.00 C ATOM 87 O CYS A 7 -6.484 -8.336 -5.455 1.00 0.00 O ATOM 88 CB CYS A 7 -7.050 -6.800 -7.759 1.00 0.00 C ATOM 89 SG CYS A 7 -7.136 -5.737 -6.279 1.00 0.00 S ATOM 90 H CYS A 7 -6.847 -9.688 -8.120 1.00 0.00 H ATOM 91 HA CYS A 7 -5.034 -7.389 -8.179 1.00 0.00 H ATOM 92 HB2 CYS A 7 -6.921 -6.156 -8.615 1.00 0.00 H ATOM 93 HB3 CYS A 7 -7.992 -7.320 -7.845 1.00 0.00 H ATOM 94 N PRO A 8 -4.300 -8.425 -5.990 1.00 0.00 N ATOM 95 CA PRO A 8 -3.847 -8.804 -4.645 1.00 0.00 C ATOM 96 C PRO A 8 -4.297 -7.806 -3.579 1.00 0.00 C ATOM 97 O PRO A 8 -5.452 -7.379 -3.568 1.00 0.00 O ATOM 98 CB PRO A 8 -2.319 -8.812 -4.772 1.00 0.00 C ATOM 99 CG PRO A 8 -2.057 -9.000 -6.227 1.00 0.00 C ATOM 100 CD PRO A 8 -3.180 -8.300 -6.936 1.00 0.00 C ATOM 101 HA PRO A 8 -4.194 -9.791 -4.378 1.00 0.00 H ATOM 102 HB2 PRO A 8 -1.919 -7.873 -4.417 1.00 0.00 H ATOM 103 HB3 PRO A 8 -1.913 -9.627 -4.192 1.00 0.00 H ATOM 104 HG2 PRO A 8 -1.110 -8.554 -6.489 1.00 0.00 H ATOM 105 HG3 PRO A 8 -2.059 -10.052 -6.468 1.00 0.00 H ATOM 106 HD2 PRO A 8 -2.931 -7.263 -7.107 1.00 0.00 H ATOM 107 HD3 PRO A 8 -3.406 -8.795 -7.869 1.00 0.00 H ATOM 108 N GLU A 9 -3.382 -7.441 -2.682 1.00 0.00 N ATOM 109 CA GLU A 9 -3.687 -6.496 -1.613 1.00 0.00 C ATOM 110 C GLU A 9 -2.751 -5.296 -1.668 1.00 0.00 C ATOM 111 O GLU A 9 -1.659 -5.373 -2.230 1.00 0.00 O ATOM 112 CB GLU A 9 -3.573 -7.186 -0.251 1.00 0.00 C ATOM 113 CG GLU A 9 -4.406 -6.529 0.837 1.00 0.00 C ATOM 114 CD GLU A 9 -4.547 -7.403 2.068 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.990 -8.521 2.068 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.216 -6.970 3.030 1.00 0.00 O ATOM 117 H GLU A 9 -2.480 -7.818 -2.740 1.00 0.00 H ATOM 118 HA GLU A 9 -4.700 -6.152 -1.749 1.00 0.00 H ATOM 119 HB2 GLU A 9 -3.896 -8.210 -0.352 1.00 0.00 H ATOM 120 HB3 GLU A 9 -2.539 -7.171 0.060 1.00 0.00 H ATOM 121 HG2 GLU A 9 -3.934 -5.602 1.124 1.00 0.00 H ATOM 122 HG3 GLU A 9 -5.392 -6.324 0.444 1.00 0.00 H ATOM 123 N CYS A 10 -3.186 -4.183 -1.085 1.00 0.00 N ATOM 124 CA CYS A 10 -2.383 -2.969 -1.076 1.00 0.00 C ATOM 125 C CYS A 10 -1.059 -3.193 -0.355 1.00 0.00 C ATOM 126 O CYS A 10 -0.998 -3.190 0.875 1.00 0.00 O ATOM 127 CB CYS A 10 -3.146 -1.824 -0.413 1.00 0.00 C ATOM 128 SG CYS A 10 -2.350 -0.199 -0.615 1.00 0.00 S ATOM 129 H CYS A 10 -4.067 -4.181 -0.655 1.00 0.00 H ATOM 130 HA CYS A 10 -2.178 -2.703 -2.102 1.00 0.00 H ATOM 131 HB2 CYS A 10 -4.134 -1.763 -0.845 1.00 0.00 H ATOM 132 HB3 CYS A 10 -3.232 -2.021 0.645 1.00 0.00 H ATOM 133 N THR A 11 0.001 -3.377 -1.133 1.00 0.00 N ATOM 134 CA THR A 11 1.332 -3.593 -0.583 1.00 0.00 C ATOM 135 C THR A 11 2.310 -2.596 -1.179 1.00 0.00 C ATOM 136 O THR A 11 1.933 -1.475 -1.507 1.00 0.00 O ATOM 137 CB THR A 11 1.802 -5.019 -0.863 1.00 0.00 C ATOM 138 OG1 THR A 11 3.109 -5.226 -0.360 1.00 0.00 O ATOM 139 CG2 THR A 11 1.818 -5.363 -2.337 1.00 0.00 C ATOM 140 H THR A 11 -0.115 -3.360 -2.107 1.00 0.00 H ATOM 141 HA THR A 11 1.285 -3.438 0.483 1.00 0.00 H ATOM 142 HB THR A 11 1.137 -5.709 -0.369 1.00 0.00 H ATOM 143 HG1 THR A 11 3.199 -4.784 0.488 1.00 0.00 H ATOM 144 HG21 THR A 11 2.237 -4.538 -2.894 1.00 0.00 H ATOM 145 HG22 THR A 11 2.421 -6.245 -2.494 1.00 0.00 H ATOM 146 HG23 THR A 11 0.810 -5.551 -2.673 1.00 0.00 H ATOM 147 N LEU A 12 3.562 -3.009 -1.318 1.00 0.00 N ATOM 148 CA LEU A 12 4.591 -2.145 -1.879 1.00 0.00 C ATOM 149 C LEU A 12 5.037 -2.653 -3.245 1.00 0.00 C ATOM 150 O LEU A 12 5.262 -3.849 -3.431 1.00 0.00 O ATOM 151 CB LEU A 12 5.781 -2.065 -0.929 1.00 0.00 C ATOM 152 CG LEU A 12 5.599 -1.113 0.254 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.241 -1.331 0.901 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.713 -1.314 1.266 1.00 0.00 C ATOM 155 H LEU A 12 3.801 -3.917 -1.039 1.00 0.00 H ATOM 156 HA LEU A 12 4.170 -1.161 -1.997 1.00 0.00 H ATOM 157 HB2 LEU A 12 5.968 -3.057 -0.539 1.00 0.00 H ATOM 158 HB3 LEU A 12 6.644 -1.747 -1.490 1.00 0.00 H ATOM 159 HG LEU A 12 5.640 -0.089 -0.098 1.00 0.00 H ATOM 160 HD11 LEU A 12 3.951 -2.365 0.791 1.00 0.00 H ATOM 161 HD12 LEU A 12 4.299 -1.083 1.950 1.00 0.00 H ATOM 162 HD13 LEU A 12 3.509 -0.698 0.420 1.00 0.00 H ATOM 163 HD21 LEU A 12 6.703 -2.336 1.616 1.00 0.00 H ATOM 164 HD22 LEU A 12 7.664 -1.104 0.799 1.00 0.00 H ATOM 165 HD23 LEU A 12 6.565 -0.646 2.099 1.00 0.00 H ATOM 166 N GLN A 13 5.151 -1.738 -4.201 1.00 0.00 N ATOM 167 CA GLN A 13 5.557 -2.100 -5.555 1.00 0.00 C ATOM 168 C GLN A 13 7.021 -1.851 -5.783 1.00 0.00 C ATOM 169 O GLN A 13 7.417 -1.195 -6.745 1.00 0.00 O ATOM 170 CB GLN A 13 4.773 -1.324 -6.571 1.00 0.00 C ATOM 171 CG GLN A 13 3.289 -1.459 -6.375 1.00 0.00 C ATOM 172 CD GLN A 13 2.598 -2.124 -7.550 1.00 0.00 C ATOM 173 OE1 GLN A 13 1.661 -1.574 -8.128 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.059 -3.317 -7.910 1.00 0.00 N ATOM 175 H GLN A 13 4.949 -0.801 -3.992 1.00 0.00 H ATOM 176 HA GLN A 13 5.359 -3.146 -5.684 1.00 0.00 H ATOM 177 HB2 GLN A 13 5.045 -0.283 -6.485 1.00 0.00 H ATOM 178 HB3 GLN A 13 5.030 -1.685 -7.550 1.00 0.00 H ATOM 179 HG2 GLN A 13 3.121 -2.054 -5.489 1.00 0.00 H ATOM 180 HG3 GLN A 13 2.876 -0.476 -6.233 1.00 0.00 H ATOM 181 HE21 GLN A 13 3.808 -3.695 -7.404 1.00 0.00 H ATOM 182 HE22 GLN A 13 2.631 -3.771 -8.665 1.00 0.00 H ATOM 183 N GLU A 14 7.796 -2.375 -4.880 1.00 0.00 N ATOM 184 CA GLU A 14 9.248 -2.239 -4.916 1.00 0.00 C ATOM 185 C GLU A 14 9.692 -1.421 -6.112 1.00 0.00 C ATOM 186 O GLU A 14 9.467 -1.783 -7.268 1.00 0.00 O ATOM 187 CB GLU A 14 9.939 -3.589 -4.945 1.00 0.00 C ATOM 188 CG GLU A 14 11.449 -3.501 -4.778 1.00 0.00 C ATOM 189 CD GLU A 14 12.161 -4.739 -5.283 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.489 -5.609 -5.878 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.389 -4.841 -5.085 1.00 0.00 O ATOM 192 H GLU A 14 7.369 -2.859 -4.157 1.00 0.00 H ATOM 193 HA GLU A 14 9.542 -1.721 -4.018 1.00 0.00 H ATOM 194 HB2 GLU A 14 9.544 -4.194 -4.149 1.00 0.00 H ATOM 195 HB3 GLU A 14 9.732 -4.059 -5.891 1.00 0.00 H ATOM 196 HG2 GLU A 14 11.813 -2.645 -5.328 1.00 0.00 H ATOM 197 HG3 GLU A 14 11.677 -3.375 -3.730 1.00 0.00 H ATOM 198 N ASN A 15 10.311 -0.315 -5.803 1.00 0.00 N ATOM 199 CA ASN A 15 10.802 0.616 -6.801 1.00 0.00 C ATOM 200 C ASN A 15 11.563 -0.086 -7.917 1.00 0.00 C ATOM 201 O ASN A 15 12.632 -0.656 -7.693 1.00 0.00 O ATOM 202 CB ASN A 15 11.701 1.640 -6.136 1.00 0.00 C ATOM 203 CG ASN A 15 11.697 2.972 -6.850 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.667 3.038 -8.079 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.731 4.042 -6.074 1.00 0.00 N ATOM 206 H ASN A 15 10.439 -0.116 -4.863 1.00 0.00 H ATOM 207 HA ASN A 15 9.955 1.128 -7.217 1.00 0.00 H ATOM 208 HB2 ASN A 15 11.357 1.797 -5.127 1.00 0.00 H ATOM 209 HB3 ASN A 15 12.709 1.263 -6.116 1.00 0.00 H ATOM 210 HD21 ASN A 15 11.758 3.905 -5.108 1.00 0.00 H ATOM 211 HD22 ASN A 15 11.721 4.920 -6.493 1.00 0.00 H ATOM 212 N PRO A 16 11.029 -0.031 -9.145 1.00 0.00 N ATOM 213 CA PRO A 16 11.663 -0.639 -10.312 1.00 0.00 C ATOM 214 C PRO A 16 12.772 0.248 -10.863 1.00 0.00 C ATOM 215 O PRO A 16 13.225 0.077 -11.996 1.00 0.00 O ATOM 216 CB PRO A 16 10.511 -0.747 -11.306 1.00 0.00 C ATOM 217 CG PRO A 16 9.637 0.418 -10.982 1.00 0.00 C ATOM 218 CD PRO A 16 9.768 0.649 -9.497 1.00 0.00 C ATOM 219 HA PRO A 16 12.057 -1.618 -10.090 1.00 0.00 H ATOM 220 HB2 PRO A 16 10.893 -0.688 -12.315 1.00 0.00 H ATOM 221 HB3 PRO A 16 9.991 -1.682 -11.163 1.00 0.00 H ATOM 222 HG2 PRO A 16 9.972 1.289 -11.527 1.00 0.00 H ATOM 223 HG3 PRO A 16 8.613 0.189 -11.236 1.00 0.00 H ATOM 224 HD2 PRO A 16 9.831 1.705 -9.283 1.00 0.00 H ATOM 225 HD3 PRO A 16 8.935 0.207 -8.972 1.00 0.00 H ATOM 226 N PHE A 17 13.198 1.197 -10.041 1.00 0.00 N ATOM 227 CA PHE A 17 14.251 2.134 -10.404 1.00 0.00 C ATOM 228 C PHE A 17 15.359 2.092 -9.368 1.00 0.00 C ATOM 229 O PHE A 17 16.527 1.871 -9.688 1.00 0.00 O ATOM 230 CB PHE A 17 13.686 3.552 -10.480 1.00 0.00 C ATOM 231 CG PHE A 17 14.709 4.586 -10.847 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.695 4.957 -9.946 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.682 5.190 -12.092 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.636 5.911 -10.283 1.00 0.00 C ATOM 235 CE2 PHE A 17 15.620 6.144 -12.434 1.00 0.00 C ATOM 236 CZ PHE A 17 16.598 6.506 -11.529 1.00 0.00 C ATOM 237 H PHE A 17 12.791 1.269 -9.155 1.00 0.00 H ATOM 238 HA PHE A 17 14.646 1.851 -11.367 1.00 0.00 H ATOM 239 HB2 PHE A 17 12.902 3.582 -11.217 1.00 0.00 H ATOM 240 HB3 PHE A 17 13.278 3.818 -9.513 1.00 0.00 H ATOM 241 HD1 PHE A 17 15.725 4.491 -8.970 1.00 0.00 H ATOM 242 HD2 PHE A 17 13.917 4.906 -12.799 1.00 0.00 H ATOM 243 HE1 PHE A 17 17.399 6.193 -9.573 1.00 0.00 H ATOM 244 HE2 PHE A 17 15.588 6.608 -13.410 1.00 0.00 H ATOM 245 HZ PHE A 17 17.332 7.253 -11.795 1.00 0.00 H ATOM 246 N PHE A 18 14.972 2.306 -8.119 1.00 0.00 N ATOM 247 CA PHE A 18 15.911 2.298 -7.012 1.00 0.00 C ATOM 248 C PHE A 18 16.349 0.876 -6.692 1.00 0.00 C ATOM 249 O PHE A 18 17.346 0.663 -6.002 1.00 0.00 O ATOM 250 CB PHE A 18 15.271 2.932 -5.781 1.00 0.00 C ATOM 251 CG PHE A 18 16.212 3.791 -4.992 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.388 3.265 -4.494 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.918 5.122 -4.750 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.261 4.050 -3.766 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.787 5.915 -4.023 1.00 0.00 C ATOM 256 CZ PHE A 18 17.960 5.378 -3.530 1.00 0.00 C ATOM 257 H PHE A 18 14.023 2.473 -7.938 1.00 0.00 H ATOM 258 HA PHE A 18 16.775 2.876 -7.301 1.00 0.00 H ATOM 259 HB2 PHE A 18 14.440 3.546 -6.090 1.00 0.00 H ATOM 260 HB3 PHE A 18 14.913 2.149 -5.132 1.00 0.00 H ATOM 261 HD1 PHE A 18 17.618 2.227 -4.678 1.00 0.00 H ATOM 262 HD2 PHE A 18 14.997 5.540 -5.135 1.00 0.00 H ATOM 263 HE1 PHE A 18 19.177 3.626 -3.380 1.00 0.00 H ATOM 264 HE2 PHE A 18 16.549 6.952 -3.841 1.00 0.00 H ATOM 265 HZ PHE A 18 18.640 5.993 -2.960 1.00 0.00 H ATOM 266 N SER A 19 15.597 -0.096 -7.198 1.00 0.00 N ATOM 267 CA SER A 19 15.910 -1.498 -6.967 1.00 0.00 C ATOM 268 C SER A 19 17.355 -1.794 -7.354 1.00 0.00 C ATOM 269 O SER A 19 17.625 -2.325 -8.431 1.00 0.00 O ATOM 270 CB SER A 19 14.956 -2.393 -7.759 1.00 0.00 C ATOM 271 OG SER A 19 14.876 -1.983 -9.114 1.00 0.00 O ATOM 272 H SER A 19 14.814 0.137 -7.740 1.00 0.00 H ATOM 273 HA SER A 19 15.784 -1.694 -5.913 1.00 0.00 H ATOM 274 HB2 SER A 19 15.309 -3.412 -7.725 1.00 0.00 H ATOM 275 HB3 SER A 19 13.969 -2.338 -7.322 1.00 0.00 H ATOM 276 HG SER A 19 15.705 -1.574 -9.374 1.00 0.00 H ATOM 277 N GLN A 20 18.279 -1.432 -6.469 1.00 0.00 N ATOM 278 CA GLN A 20 19.700 -1.641 -6.712 1.00 0.00 C ATOM 279 C GLN A 20 20.228 -2.821 -5.905 1.00 0.00 C ATOM 280 O GLN A 20 19.553 -3.319 -5.003 1.00 0.00 O ATOM 281 CB GLN A 20 20.482 -0.367 -6.369 1.00 0.00 C ATOM 282 CG GLN A 20 21.083 -0.360 -4.971 1.00 0.00 C ATOM 283 CD GLN A 20 22.130 0.725 -4.795 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.836 1.811 -4.296 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.361 0.437 -5.205 1.00 0.00 N ATOM 286 H GLN A 20 17.996 -1.005 -5.632 1.00 0.00 H ATOM 287 HA GLN A 20 19.828 -1.856 -7.763 1.00 0.00 H ATOM 288 HB2 GLN A 20 21.284 -0.250 -7.079 1.00 0.00 H ATOM 289 HB3 GLN A 20 19.815 0.479 -6.450 1.00 0.00 H ATOM 290 HG2 GLN A 20 20.294 -0.195 -4.254 1.00 0.00 H ATOM 291 HG3 GLN A 20 21.545 -1.318 -4.785 1.00 0.00 H ATOM 292 HE21 GLN A 20 23.524 -0.448 -5.593 1.00 0.00 H ATOM 293 HE22 GLN A 20 24.056 1.120 -5.100 1.00 0.00 H ATOM 294 N PRO A 21 21.447 -3.283 -6.222 1.00 0.00 N ATOM 295 CA PRO A 21 22.073 -4.408 -5.523 1.00 0.00 C ATOM 296 C PRO A 21 22.273 -4.110 -4.044 1.00 0.00 C ATOM 297 O PRO A 21 23.401 -4.054 -3.555 1.00 0.00 O ATOM 298 CB PRO A 21 23.426 -4.573 -6.226 1.00 0.00 C ATOM 299 CG PRO A 21 23.280 -3.861 -7.528 1.00 0.00 C ATOM 300 CD PRO A 21 22.312 -2.741 -7.282 1.00 0.00 C ATOM 301 HA PRO A 21 21.493 -5.312 -5.632 1.00 0.00 H ATOM 302 HB2 PRO A 21 24.204 -4.131 -5.619 1.00 0.00 H ATOM 303 HB3 PRO A 21 23.631 -5.622 -6.374 1.00 0.00 H ATOM 304 HG2 PRO A 21 24.236 -3.467 -7.842 1.00 0.00 H ATOM 305 HG3 PRO A 21 22.890 -4.537 -8.275 1.00 0.00 H ATOM 306 HD2 PRO A 21 22.832 -1.858 -6.944 1.00 0.00 H ATOM 307 HD3 PRO A 21 21.742 -2.530 -8.174 1.00 0.00 H ATOM 308 N GLY A 22 21.166 -3.912 -3.340 1.00 0.00 N ATOM 309 CA GLY A 22 21.229 -3.614 -1.925 1.00 0.00 C ATOM 310 C GLY A 22 20.103 -2.709 -1.476 1.00 0.00 C ATOM 311 O GLY A 22 19.922 -2.483 -0.279 1.00 0.00 O ATOM 312 H GLY A 22 20.297 -3.966 -3.789 1.00 0.00 H ATOM 313 HA2 GLY A 22 21.178 -4.535 -1.369 1.00 0.00 H ATOM 314 HA3 GLY A 22 22.169 -3.126 -1.713 1.00 0.00 H ATOM 315 N ALA A 23 19.346 -2.182 -2.432 1.00 0.00 N ATOM 316 CA ALA A 23 18.243 -1.292 -2.110 1.00 0.00 C ATOM 317 C ALA A 23 17.103 -1.422 -3.097 1.00 0.00 C ATOM 318 O ALA A 23 17.155 -0.930 -4.224 1.00 0.00 O ATOM 319 CB ALA A 23 18.737 0.140 -2.037 1.00 0.00 C ATOM 320 H ALA A 23 19.538 -2.392 -3.370 1.00 0.00 H ATOM 321 HA ALA A 23 17.863 -1.576 -1.138 1.00 0.00 H ATOM 322 HB1 ALA A 23 18.293 0.632 -1.188 1.00 0.00 H ATOM 323 HB2 ALA A 23 19.813 0.141 -1.934 1.00 0.00 H ATOM 324 HB3 ALA A 23 18.464 0.660 -2.943 1.00 0.00 H ATOM 325 N PRO A 24 16.062 -2.122 -2.655 1.00 0.00 N ATOM 326 CA PRO A 24 14.870 -2.400 -3.418 1.00 0.00 C ATOM 327 C PRO A 24 13.688 -1.547 -2.994 1.00 0.00 C ATOM 328 O PRO A 24 12.690 -2.051 -2.478 1.00 0.00 O ATOM 329 CB PRO A 24 14.649 -3.861 -3.049 1.00 0.00 C ATOM 330 CG PRO A 24 15.163 -3.989 -1.637 1.00 0.00 C ATOM 331 CD PRO A 24 15.973 -2.755 -1.345 1.00 0.00 C ATOM 332 HA PRO A 24 15.024 -2.295 -4.478 1.00 0.00 H ATOM 333 HB2 PRO A 24 13.601 -4.094 -3.106 1.00 0.00 H ATOM 334 HB3 PRO A 24 15.208 -4.490 -3.722 1.00 0.00 H ATOM 335 HG2 PRO A 24 14.337 -4.053 -0.950 1.00 0.00 H ATOM 336 HG3 PRO A 24 15.788 -4.865 -1.555 1.00 0.00 H ATOM 337 HD2 PRO A 24 15.458 -2.118 -0.641 1.00 0.00 H ATOM 338 HD3 PRO A 24 16.951 -3.023 -0.976 1.00 0.00 H ATOM 339 N ILE A 25 13.821 -0.251 -3.216 1.00 0.00 N ATOM 340 CA ILE A 25 12.806 0.710 -2.881 1.00 0.00 C ATOM 341 C ILE A 25 11.396 0.248 -3.227 1.00 0.00 C ATOM 342 O ILE A 25 11.194 -0.897 -3.622 1.00 0.00 O ATOM 343 CB ILE A 25 13.159 2.013 -3.564 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.443 2.495 -2.945 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.077 3.039 -3.350 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.286 2.630 -1.456 1.00 0.00 C ATOM 347 H ILE A 25 14.648 0.085 -3.617 1.00 0.00 H ATOM 348 HA ILE A 25 12.855 0.875 -1.817 1.00 0.00 H ATOM 349 HB ILE A 25 13.308 1.832 -4.618 1.00 0.00 H ATOM 350 HG12 ILE A 25 15.232 1.784 -3.145 1.00 0.00 H ATOM 351 HG13 ILE A 25 14.706 3.454 -3.350 1.00 0.00 H ATOM 352 HG21 ILE A 25 11.796 3.039 -2.306 1.00 0.00 H ATOM 353 HG22 ILE A 25 12.453 4.012 -3.617 1.00 0.00 H ATOM 354 HG23 ILE A 25 11.216 2.802 -3.954 1.00 0.00 H ATOM 355 HD11 ILE A 25 13.324 3.081 -1.241 1.00 0.00 H ATOM 356 HD12 ILE A 25 14.325 1.652 -1.004 1.00 0.00 H ATOM 357 HD13 ILE A 25 15.071 3.244 -1.067 1.00 0.00 H ATOM 358 N LEU A 26 10.410 1.115 -2.983 1.00 0.00 N ATOM 359 CA LEU A 26 9.013 0.753 -3.163 1.00 0.00 C ATOM 360 C LEU A 26 8.114 1.890 -3.587 1.00 0.00 C ATOM 361 O LEU A 26 8.535 2.880 -4.174 1.00 0.00 O ATOM 362 CB LEU A 26 8.555 0.267 -1.813 1.00 0.00 C ATOM 363 CG LEU A 26 9.706 0.141 -0.832 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.277 0.524 0.566 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.285 -1.266 -0.849 1.00 0.00 C ATOM 366 H LEU A 26 10.623 1.983 -2.595 1.00 0.00 H ATOM 367 HA LEU A 26 8.927 -0.043 -3.861 1.00 0.00 H ATOM 368 HB2 LEU A 26 7.844 0.984 -1.421 1.00 0.00 H ATOM 369 HB3 LEU A 26 8.084 -0.686 -1.922 1.00 0.00 H ATOM 370 HG LEU A 26 10.480 0.832 -1.152 1.00 0.00 H ATOM 371 HD11 LEU A 26 8.277 0.930 0.539 1.00 0.00 H ATOM 372 HD12 LEU A 26 9.293 -0.351 1.198 1.00 0.00 H ATOM 373 HD13 LEU A 26 9.958 1.262 0.958 1.00 0.00 H ATOM 374 HD21 LEU A 26 9.496 -1.981 -0.675 1.00 0.00 H ATOM 375 HD22 LEU A 26 10.739 -1.458 -1.807 1.00 0.00 H ATOM 376 HD23 LEU A 26 11.030 -1.357 -0.072 1.00 0.00 H ATOM 377 N GLN A 27 6.849 1.700 -3.262 1.00 0.00 N ATOM 378 CA GLN A 27 5.805 2.675 -3.566 1.00 0.00 C ATOM 379 C GLN A 27 4.415 2.033 -3.545 1.00 0.00 C ATOM 380 O GLN A 27 3.750 1.918 -4.573 1.00 0.00 O ATOM 381 CB GLN A 27 6.077 3.332 -4.915 1.00 0.00 C ATOM 382 CG GLN A 27 4.867 4.031 -5.514 1.00 0.00 C ATOM 383 CD GLN A 27 4.434 3.423 -6.834 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.072 2.249 -6.901 1.00 0.00 O ATOM 385 NE2 GLN A 27 4.469 4.225 -7.892 1.00 0.00 N ATOM 386 H GLN A 27 6.617 0.864 -2.798 1.00 0.00 H ATOM 387 HA GLN A 27 5.840 3.434 -2.799 1.00 0.00 H ATOM 388 HB2 GLN A 27 6.862 4.062 -4.786 1.00 0.00 H ATOM 389 HB3 GLN A 27 6.412 2.575 -5.606 1.00 0.00 H ATOM 390 HG2 GLN A 27 4.045 3.961 -4.818 1.00 0.00 H ATOM 391 HG3 GLN A 27 5.113 5.070 -5.676 1.00 0.00 H ATOM 392 HE21 GLN A 27 4.768 5.148 -7.763 1.00 0.00 H ATOM 393 HE22 GLN A 27 4.194 3.858 -8.759 1.00 0.00 H ATOM 394 N CYS A 28 4.004 1.622 -2.349 1.00 0.00 N ATOM 395 CA CYS A 28 2.706 0.983 -2.113 1.00 0.00 C ATOM 396 C CYS A 28 1.913 0.727 -3.394 1.00 0.00 C ATOM 397 O CYS A 28 1.530 1.661 -4.097 1.00 0.00 O ATOM 398 CB CYS A 28 1.846 1.831 -1.171 1.00 0.00 C ATOM 399 SG CYS A 28 1.022 0.876 0.146 1.00 0.00 S ATOM 400 H CYS A 28 4.603 1.751 -1.588 1.00 0.00 H ATOM 401 HA CYS A 28 2.901 0.039 -1.632 1.00 0.00 H ATOM 402 HB2 CYS A 28 2.460 2.579 -0.702 1.00 0.00 H ATOM 403 HB3 CYS A 28 1.076 2.320 -1.749 1.00 0.00 H ATOM 404 N MET A 29 1.641 -0.545 -3.666 1.00 0.00 N ATOM 405 CA MET A 29 0.857 -0.930 -4.836 1.00 0.00 C ATOM 406 C MET A 29 -0.523 -0.283 -4.790 1.00 0.00 C ATOM 407 O MET A 29 -0.737 0.782 -5.368 1.00 0.00 O ATOM 408 CB MET A 29 0.715 -2.454 -4.904 1.00 0.00 C ATOM 409 CG MET A 29 -0.289 -2.927 -5.942 1.00 0.00 C ATOM 410 SD MET A 29 -0.708 -4.671 -5.761 1.00 0.00 S ATOM 411 CE MET A 29 -0.856 -5.165 -7.477 1.00 0.00 C ATOM 412 H MET A 29 1.957 -1.242 -3.053 1.00 0.00 H ATOM 413 HA MET A 29 1.372 -0.582 -5.715 1.00 0.00 H ATOM 414 HB2 MET A 29 1.675 -2.886 -5.141 1.00 0.00 H ATOM 415 HB3 MET A 29 0.399 -2.817 -3.936 1.00 0.00 H ATOM 416 HG2 MET A 29 -1.191 -2.344 -5.842 1.00 0.00 H ATOM 417 HG3 MET A 29 0.132 -2.774 -6.925 1.00 0.00 H ATOM 418 HE1 MET A 29 -0.033 -4.753 -8.042 1.00 0.00 H ATOM 419 HE2 MET A 29 -0.835 -6.243 -7.545 1.00 0.00 H ATOM 420 HE3 MET A 29 -1.788 -4.797 -7.879 1.00 0.00 H ATOM 421 N GLY A 30 -1.455 -0.925 -4.092 1.00 0.00 N ATOM 422 CA GLY A 30 -2.797 -0.381 -3.982 1.00 0.00 C ATOM 423 C GLY A 30 -3.866 -1.312 -4.520 1.00 0.00 C ATOM 424 O GLY A 30 -4.308 -1.164 -5.659 1.00 0.00 O ATOM 425 H GLY A 30 -1.229 -1.768 -3.645 1.00 0.00 H ATOM 426 HA2 GLY A 30 -3.006 -0.179 -2.944 1.00 0.00 H ATOM 427 HA3 GLY A 30 -2.839 0.548 -4.531 1.00 0.00 H ATOM 428 N CYS A 31 -4.294 -2.266 -3.699 1.00 0.00 N ATOM 429 CA CYS A 31 -5.327 -3.208 -4.106 1.00 0.00 C ATOM 430 C CYS A 31 -5.829 -4.011 -2.917 1.00 0.00 C ATOM 431 O CYS A 31 -5.946 -5.233 -2.986 1.00 0.00 O ATOM 432 CB CYS A 31 -4.796 -4.148 -5.191 1.00 0.00 C ATOM 433 SG CYS A 31 -5.838 -4.230 -6.684 1.00 0.00 S ATOM 434 H CYS A 31 -3.912 -2.335 -2.797 1.00 0.00 H ATOM 435 HA CYS A 31 -6.149 -2.637 -4.502 1.00 0.00 H ATOM 436 HB2 CYS A 31 -3.815 -3.817 -5.495 1.00 0.00 H ATOM 437 HB3 CYS A 31 -4.724 -5.146 -4.786 1.00 0.00 H ATOM 438 N CYS A 32 -6.128 -3.314 -1.831 1.00 0.00 N ATOM 439 CA CYS A 32 -6.623 -3.962 -0.621 1.00 0.00 C ATOM 440 C CYS A 32 -8.068 -4.417 -0.800 1.00 0.00 C ATOM 441 O CYS A 32 -8.944 -4.058 -0.013 1.00 0.00 O ATOM 442 CB CYS A 32 -6.515 -3.018 0.580 1.00 0.00 C ATOM 443 SG CYS A 32 -5.137 -3.404 1.709 1.00 0.00 S ATOM 444 H CYS A 32 -6.019 -2.342 -1.848 1.00 0.00 H ATOM 445 HA CYS A 32 -6.008 -4.831 -0.438 1.00 0.00 H ATOM 446 HB2 CYS A 32 -6.375 -2.008 0.223 1.00 0.00 H ATOM 447 HB3 CYS A 32 -7.432 -3.067 1.150 1.00 0.00 H ATOM 448 N PHE A 33 -8.310 -5.209 -1.841 1.00 0.00 N ATOM 449 CA PHE A 33 -9.649 -5.712 -2.121 1.00 0.00 C ATOM 450 C PHE A 33 -10.664 -4.574 -2.118 1.00 0.00 C ATOM 451 O PHE A 33 -10.293 -3.399 -2.136 1.00 0.00 O ATOM 452 CB PHE A 33 -10.047 -6.768 -1.089 1.00 0.00 C ATOM 453 CG PHE A 33 -8.876 -7.466 -0.451 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.713 -7.698 -1.167 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.945 -7.893 0.866 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.639 -8.342 -0.580 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.875 -8.537 1.458 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.720 -8.762 0.733 1.00 0.00 C ATOM 459 H PHE A 33 -7.570 -5.461 -2.432 1.00 0.00 H ATOM 460 HA PHE A 33 -9.635 -6.164 -3.102 1.00 0.00 H ATOM 461 HB2 PHE A 33 -10.615 -6.294 -0.303 1.00 0.00 H ATOM 462 HB3 PHE A 33 -10.659 -7.516 -1.567 1.00 0.00 H ATOM 463 HD1 PHE A 33 -7.647 -7.370 -2.194 1.00 0.00 H ATOM 464 HD2 PHE A 33 -9.847 -7.718 1.433 1.00 0.00 H ATOM 465 HE1 PHE A 33 -5.737 -8.517 -1.149 1.00 0.00 H ATOM 466 HE2 PHE A 33 -7.941 -8.864 2.485 1.00 0.00 H ATOM 467 HZ PHE A 33 -5.884 -9.266 1.194 1.00 0.00 H ATOM 468 N SER A 34 -11.944 -4.926 -2.091 1.00 0.00 N ATOM 469 CA SER A 34 -13.010 -3.931 -2.080 1.00 0.00 C ATOM 470 C SER A 34 -14.145 -4.362 -1.156 1.00 0.00 C ATOM 471 O SER A 34 -15.295 -4.479 -1.579 1.00 0.00 O ATOM 472 CB SER A 34 -13.544 -3.702 -3.495 1.00 0.00 C ATOM 473 OG SER A 34 -12.503 -3.785 -4.454 1.00 0.00 O ATOM 474 H SER A 34 -12.179 -5.878 -2.073 1.00 0.00 H ATOM 475 HA SER A 34 -12.593 -3.006 -1.708 1.00 0.00 H ATOM 476 HB2 SER A 34 -14.287 -4.450 -3.724 1.00 0.00 H ATOM 477 HB3 SER A 34 -13.992 -2.720 -3.554 1.00 0.00 H ATOM 478 HG SER A 34 -12.543 -3.022 -5.037 1.00 0.00 H ATOM 479 N ARG A 35 -13.809 -4.596 0.110 1.00 0.00 N ATOM 480 CA ARG A 35 -14.797 -5.016 1.098 1.00 0.00 C ATOM 481 C ARG A 35 -15.818 -3.913 1.347 1.00 0.00 C ATOM 482 O ARG A 35 -15.478 -2.731 1.372 1.00 0.00 O ATOM 483 CB ARG A 35 -14.109 -5.391 2.411 1.00 0.00 C ATOM 484 CG ARG A 35 -15.077 -5.643 3.556 1.00 0.00 C ATOM 485 CD ARG A 35 -16.010 -6.804 3.252 1.00 0.00 C ATOM 486 NE ARG A 35 -17.367 -6.554 3.729 1.00 0.00 N ATOM 487 CZ ARG A 35 -18.213 -7.517 4.078 1.00 0.00 C ATOM 488 NH1 ARG A 35 -17.841 -8.788 4.004 1.00 0.00 N ATOM 489 NH2 ARG A 35 -19.433 -7.210 4.500 1.00 0.00 N ATOM 490 H ARG A 35 -12.875 -4.486 0.385 1.00 0.00 H ATOM 491 HA ARG A 35 -15.309 -5.883 0.710 1.00 0.00 H ATOM 492 HB2 ARG A 35 -13.528 -6.288 2.256 1.00 0.00 H ATOM 493 HB3 ARG A 35 -13.446 -4.588 2.699 1.00 0.00 H ATOM 494 HG2 ARG A 35 -14.514 -5.873 4.448 1.00 0.00 H ATOM 495 HG3 ARG A 35 -15.667 -4.753 3.719 1.00 0.00 H ATOM 496 HD2 ARG A 35 -16.039 -6.955 2.182 1.00 0.00 H ATOM 497 HD3 ARG A 35 -15.626 -7.691 3.731 1.00 0.00 H ATOM 498 HE ARG A 35 -17.661 -5.622 3.793 1.00 0.00 H ATOM 499 HH11 ARG A 35 -16.924 -9.023 3.685 1.00 0.00 H ATOM 500 HH12 ARG A 35 -18.480 -9.512 4.268 1.00 0.00 H ATOM 501 HH21 ARG A 35 -19.716 -6.253 4.557 1.00 0.00 H ATOM 502 HH22 ARG A 35 -20.069 -7.936 4.762 1.00 0.00 H ATOM 503 N ALA A 36 -17.072 -4.308 1.532 1.00 0.00 N ATOM 504 CA ALA A 36 -18.141 -3.353 1.781 1.00 0.00 C ATOM 505 C ALA A 36 -18.936 -3.729 3.022 1.00 0.00 C ATOM 506 O ALA A 36 -19.994 -4.353 2.931 1.00 0.00 O ATOM 507 CB ALA A 36 -19.062 -3.265 0.579 1.00 0.00 C ATOM 508 H ALA A 36 -17.282 -5.266 1.501 1.00 0.00 H ATOM 509 HA ALA A 36 -17.692 -2.383 1.933 1.00 0.00 H ATOM 510 HB1 ALA A 36 -18.792 -4.026 -0.136 1.00 0.00 H ATOM 511 HB2 ALA A 36 -20.082 -3.415 0.898 1.00 0.00 H ATOM 512 HB3 ALA A 36 -18.965 -2.290 0.123 1.00 0.00 H ATOM 513 N TYR A 37 -18.425 -3.339 4.179 1.00 0.00 N ATOM 514 CA TYR A 37 -19.094 -3.628 5.440 1.00 0.00 C ATOM 515 C TYR A 37 -20.500 -3.029 5.436 1.00 0.00 C ATOM 516 O TYR A 37 -21.489 -3.753 5.313 1.00 0.00 O ATOM 517 CB TYR A 37 -18.275 -3.092 6.615 1.00 0.00 C ATOM 518 CG TYR A 37 -17.266 -4.082 7.156 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.665 -5.152 7.948 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.912 -3.943 6.874 1.00 0.00 C ATOM 521 CE1 TYR A 37 -16.743 -6.055 8.445 1.00 0.00 C ATOM 522 CE2 TYR A 37 -14.984 -4.843 7.367 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.405 -5.897 8.151 1.00 0.00 C ATOM 524 OH TYR A 37 -14.484 -6.794 8.643 1.00 0.00 O ATOM 525 H TYR A 37 -17.584 -2.840 4.184 1.00 0.00 H ATOM 526 HA TYR A 37 -19.177 -4.702 5.529 1.00 0.00 H ATOM 527 HB2 TYR A 37 -17.734 -2.214 6.295 1.00 0.00 H ATOM 528 HB3 TYR A 37 -18.944 -2.824 7.420 1.00 0.00 H ATOM 529 HD1 TYR A 37 -18.712 -5.274 8.176 1.00 0.00 H ATOM 530 HD2 TYR A 37 -15.585 -3.118 6.261 1.00 0.00 H ATOM 531 HE1 TYR A 37 -17.073 -6.880 9.059 1.00 0.00 H ATOM 532 HE2 TYR A 37 -13.936 -4.718 7.137 1.00 0.00 H ATOM 533 HH TYR A 37 -14.472 -6.749 9.602 1.00 0.00 H ATOM 534 N PRO A 38 -20.612 -1.694 5.550 1.00 0.00 N ATOM 535 CA PRO A 38 -21.901 -1.005 5.537 1.00 0.00 C ATOM 536 C PRO A 38 -22.351 -0.688 4.115 1.00 0.00 C ATOM 537 O PRO A 38 -21.875 -1.295 3.156 1.00 0.00 O ATOM 538 CB PRO A 38 -21.582 0.281 6.287 1.00 0.00 C ATOM 539 CG PRO A 38 -20.187 0.594 5.865 1.00 0.00 C ATOM 540 CD PRO A 38 -19.494 -0.737 5.687 1.00 0.00 C ATOM 541 HA PRO A 38 -22.666 -1.560 6.056 1.00 0.00 H ATOM 542 HB2 PRO A 38 -22.273 1.058 5.994 1.00 0.00 H ATOM 543 HB3 PRO A 38 -21.644 0.110 7.350 1.00 0.00 H ATOM 544 HG2 PRO A 38 -20.200 1.138 4.931 1.00 0.00 H ATOM 545 HG3 PRO A 38 -19.693 1.173 6.631 1.00 0.00 H ATOM 546 HD2 PRO A 38 -18.882 -0.729 4.797 1.00 0.00 H ATOM 547 HD3 PRO A 38 -18.897 -0.962 6.555 1.00 0.00 H ATOM 548 N THR A 39 -23.253 0.277 3.981 1.00 0.00 N ATOM 549 CA THR A 39 -23.741 0.681 2.669 1.00 0.00 C ATOM 550 C THR A 39 -22.718 1.583 1.984 1.00 0.00 C ATOM 551 O THR A 39 -22.402 2.664 2.481 1.00 0.00 O ATOM 552 CB THR A 39 -25.080 1.409 2.798 1.00 0.00 C ATOM 553 OG1 THR A 39 -25.985 0.656 3.587 1.00 0.00 O ATOM 554 CG2 THR A 39 -25.746 1.679 1.467 1.00 0.00 C ATOM 555 H THR A 39 -23.587 0.737 4.778 1.00 0.00 H ATOM 556 HA THR A 39 -23.877 -0.210 2.075 1.00 0.00 H ATOM 557 HB THR A 39 -24.916 2.359 3.285 1.00 0.00 H ATOM 558 HG1 THR A 39 -25.623 0.542 4.468 1.00 0.00 H ATOM 559 HG21 THR A 39 -25.220 1.147 0.688 1.00 0.00 H ATOM 560 HG22 THR A 39 -26.772 1.342 1.503 1.00 0.00 H ATOM 561 HG23 THR A 39 -25.722 2.739 1.261 1.00 0.00 H ATOM 562 N PRO A 40 -22.179 1.148 0.836 1.00 0.00 N ATOM 563 CA PRO A 40 -21.181 1.914 0.086 1.00 0.00 C ATOM 564 C PRO A 40 -21.592 3.369 -0.109 1.00 0.00 C ATOM 565 O PRO A 40 -22.674 3.658 -0.620 1.00 0.00 O ATOM 566 CB PRO A 40 -21.095 1.192 -1.268 1.00 0.00 C ATOM 567 CG PRO A 40 -22.194 0.177 -1.264 1.00 0.00 C ATOM 568 CD PRO A 40 -22.489 -0.124 0.177 1.00 0.00 C ATOM 569 HA PRO A 40 -20.218 1.881 0.573 1.00 0.00 H ATOM 570 HB2 PRO A 40 -21.226 1.909 -2.065 1.00 0.00 H ATOM 571 HB3 PRO A 40 -20.126 0.721 -1.361 1.00 0.00 H ATOM 572 HG2 PRO A 40 -23.070 0.585 -1.747 1.00 0.00 H ATOM 573 HG3 PRO A 40 -21.867 -0.717 -1.775 1.00 0.00 H ATOM 574 HD2 PRO A 40 -23.528 -0.386 0.303 1.00 0.00 H ATOM 575 HD3 PRO A 40 -21.848 -0.914 0.538 1.00 0.00 H ATOM 576 N LEU A 41 -20.718 4.284 0.304 1.00 0.00 N ATOM 577 CA LEU A 41 -20.986 5.712 0.179 1.00 0.00 C ATOM 578 C LEU A 41 -20.042 6.355 -0.834 1.00 0.00 C ATOM 579 O LEU A 41 -19.065 5.740 -1.260 1.00 0.00 O ATOM 580 CB LEU A 41 -20.842 6.400 1.537 1.00 0.00 C ATOM 581 CG LEU A 41 -20.905 5.465 2.747 1.00 0.00 C ATOM 582 CD1 LEU A 41 -19.518 5.250 3.333 1.00 0.00 C ATOM 583 CD2 LEU A 41 -21.848 6.023 3.801 1.00 0.00 C ATOM 584 H LEU A 41 -19.874 3.990 0.703 1.00 0.00 H ATOM 585 HA LEU A 41 -22.001 5.831 -0.169 1.00 0.00 H ATOM 586 HB2 LEU A 41 -19.895 6.918 1.556 1.00 0.00 H ATOM 587 HB3 LEU A 41 -21.634 7.127 1.633 1.00 0.00 H ATOM 588 HG LEU A 41 -21.286 4.504 2.433 1.00 0.00 H ATOM 589 HD11 LEU A 41 -18.910 6.123 3.147 1.00 0.00 H ATOM 590 HD12 LEU A 41 -19.598 5.088 4.397 1.00 0.00 H ATOM 591 HD13 LEU A 41 -19.061 4.388 2.870 1.00 0.00 H ATOM 592 HD21 LEU A 41 -22.744 6.390 3.323 1.00 0.00 H ATOM 593 HD22 LEU A 41 -22.107 5.245 4.501 1.00 0.00 H ATOM 594 HD23 LEU A 41 -21.362 6.834 4.325 1.00 0.00 H ATOM 595 N ARG A 42 -20.342 7.592 -1.219 1.00 0.00 N ATOM 596 CA ARG A 42 -19.517 8.308 -2.187 1.00 0.00 C ATOM 597 C ARG A 42 -19.505 9.810 -1.907 1.00 0.00 C ATOM 598 O ARG A 42 -19.924 10.256 -0.839 1.00 0.00 O ATOM 599 CB ARG A 42 -20.025 8.050 -3.606 1.00 0.00 C ATOM 600 CG ARG A 42 -21.217 7.109 -3.665 1.00 0.00 C ATOM 601 CD ARG A 42 -22.078 7.385 -4.884 1.00 0.00 C ATOM 602 NE ARG A 42 -23.492 7.499 -4.542 1.00 0.00 N ATOM 603 CZ ARG A 42 -24.477 7.182 -5.372 1.00 0.00 C ATOM 604 NH1 ARG A 42 -24.199 6.746 -6.594 1.00 0.00 N ATOM 605 NH2 ARG A 42 -25.740 7.302 -4.987 1.00 0.00 N ATOM 606 H ARG A 42 -21.137 8.031 -0.848 1.00 0.00 H ATOM 607 HA ARG A 42 -18.509 7.932 -2.105 1.00 0.00 H ATOM 608 HB2 ARG A 42 -20.316 8.991 -4.049 1.00 0.00 H ATOM 609 HB3 ARG A 42 -19.226 7.619 -4.189 1.00 0.00 H ATOM 610 HG2 ARG A 42 -20.859 6.092 -3.712 1.00 0.00 H ATOM 611 HG3 ARG A 42 -21.816 7.242 -2.775 1.00 0.00 H ATOM 612 HD2 ARG A 42 -21.752 8.309 -5.338 1.00 0.00 H ATOM 613 HD3 ARG A 42 -21.952 6.575 -5.588 1.00 0.00 H ATOM 614 HE ARG A 42 -23.717 7.827 -3.645 1.00 0.00 H ATOM 615 HH11 ARG A 42 -23.248 6.660 -6.888 1.00 0.00 H ATOM 616 HH12 ARG A 42 -24.941 6.505 -7.218 1.00 0.00 H ATOM 617 HH21 ARG A 42 -25.953 7.634 -4.068 1.00 0.00 H ATOM 618 HH22 ARG A 42 -26.479 7.060 -5.614 1.00 0.00 H ATOM 619 N SER A 43 -19.018 10.582 -2.877 1.00 0.00 N ATOM 620 CA SER A 43 -18.945 12.034 -2.744 1.00 0.00 C ATOM 621 C SER A 43 -17.640 12.451 -2.073 1.00 0.00 C ATOM 622 O SER A 43 -17.609 12.736 -0.875 1.00 0.00 O ATOM 623 CB SER A 43 -20.136 12.561 -1.941 1.00 0.00 C ATOM 624 OG SER A 43 -20.276 13.964 -2.096 1.00 0.00 O ATOM 625 H SER A 43 -18.698 10.164 -3.703 1.00 0.00 H ATOM 626 HA SER A 43 -18.975 12.460 -3.737 1.00 0.00 H ATOM 627 HB2 SER A 43 -21.040 12.083 -2.287 1.00 0.00 H ATOM 628 HB3 SER A 43 -19.989 12.339 -0.895 1.00 0.00 H ATOM 629 HG SER A 43 -20.918 14.147 -2.785 1.00 0.00 H ATOM 630 N LYS A 44 -16.564 12.482 -2.853 1.00 0.00 N ATOM 631 CA LYS A 44 -15.252 12.859 -2.336 1.00 0.00 C ATOM 632 C LYS A 44 -14.325 13.287 -3.470 1.00 0.00 C ATOM 633 O LYS A 44 -13.132 12.984 -3.457 1.00 0.00 O ATOM 634 CB LYS A 44 -14.633 11.687 -1.570 1.00 0.00 C ATOM 635 CG LYS A 44 -13.606 12.110 -0.533 1.00 0.00 C ATOM 636 CD LYS A 44 -14.115 13.262 0.319 1.00 0.00 C ATOM 637 CE LYS A 44 -13.296 13.416 1.590 1.00 0.00 C ATOM 638 NZ LYS A 44 -13.994 14.255 2.603 1.00 0.00 N ATOM 639 H LYS A 44 -16.653 12.242 -3.800 1.00 0.00 H ATOM 640 HA LYS A 44 -15.387 13.690 -1.662 1.00 0.00 H ATOM 641 HB2 LYS A 44 -15.419 11.147 -1.066 1.00 0.00 H ATOM 642 HB3 LYS A 44 -14.149 11.028 -2.276 1.00 0.00 H ATOM 643 HG2 LYS A 44 -13.391 11.270 0.109 1.00 0.00 H ATOM 644 HG3 LYS A 44 -12.703 12.419 -1.040 1.00 0.00 H ATOM 645 HD2 LYS A 44 -14.050 14.175 -0.253 1.00 0.00 H ATOM 646 HD3 LYS A 44 -15.144 13.072 0.585 1.00 0.00 H ATOM 647 HE2 LYS A 44 -13.116 12.437 2.008 1.00 0.00 H ATOM 648 HE3 LYS A 44 -12.353 13.879 1.339 1.00 0.00 H ATOM 649 HZ1 LYS A 44 -14.682 14.880 2.136 1.00 0.00 H ATOM 650 HZ2 LYS A 44 -14.497 13.650 3.283 1.00 0.00 H ATOM 651 HZ3 LYS A 44 -13.307 14.838 3.119 1.00 0.00 H ATOM 652 N LYS A 45 -14.882 13.992 -4.449 1.00 0.00 N ATOM 653 CA LYS A 45 -14.107 14.461 -5.592 1.00 0.00 C ATOM 654 C LYS A 45 -13.886 13.333 -6.597 1.00 0.00 C ATOM 655 O LYS A 45 -14.568 13.263 -7.618 1.00 0.00 O ATOM 656 CB LYS A 45 -12.762 15.032 -5.130 1.00 0.00 C ATOM 657 CG LYS A 45 -12.082 15.907 -6.172 1.00 0.00 C ATOM 658 CD LYS A 45 -11.954 17.345 -5.697 1.00 0.00 C ATOM 659 CE LYS A 45 -10.530 17.669 -5.266 1.00 0.00 C ATOM 660 NZ LYS A 45 -9.720 18.219 -6.389 1.00 0.00 N ATOM 661 H LYS A 45 -15.838 14.200 -4.403 1.00 0.00 H ATOM 662 HA LYS A 45 -14.673 15.245 -6.072 1.00 0.00 H ATOM 663 HB2 LYS A 45 -12.923 15.626 -4.243 1.00 0.00 H ATOM 664 HB3 LYS A 45 -12.099 14.215 -4.889 1.00 0.00 H ATOM 665 HG2 LYS A 45 -11.096 15.514 -6.371 1.00 0.00 H ATOM 666 HG3 LYS A 45 -12.667 15.888 -7.080 1.00 0.00 H ATOM 667 HD2 LYS A 45 -12.233 18.006 -6.505 1.00 0.00 H ATOM 668 HD3 LYS A 45 -12.618 17.498 -4.859 1.00 0.00 H ATOM 669 HE2 LYS A 45 -10.566 18.398 -4.470 1.00 0.00 H ATOM 670 HE3 LYS A 45 -10.062 16.766 -4.904 1.00 0.00 H ATOM 671 HZ1 LYS A 45 -10.335 18.710 -7.069 1.00 0.00 H ATOM 672 HZ2 LYS A 45 -9.017 18.895 -6.026 1.00 0.00 H ATOM 673 HZ3 LYS A 45 -9.221 17.450 -6.881 1.00 0.00 H ATOM 674 N THR A 46 -12.933 12.452 -6.297 1.00 0.00 N ATOM 675 CA THR A 46 -12.617 11.321 -7.168 1.00 0.00 C ATOM 676 C THR A 46 -13.106 11.559 -8.595 1.00 0.00 C ATOM 677 O THR A 46 -12.393 12.133 -9.417 1.00 0.00 O ATOM 678 CB THR A 46 -13.235 10.036 -6.612 1.00 0.00 C ATOM 679 OG1 THR A 46 -12.614 9.672 -5.391 1.00 0.00 O ATOM 680 CG2 THR A 46 -13.121 8.857 -7.555 1.00 0.00 C ATOM 681 H THR A 46 -12.429 12.564 -5.465 1.00 0.00 H ATOM 682 HA THR A 46 -11.543 11.212 -7.185 1.00 0.00 H ATOM 683 HB THR A 46 -14.286 10.207 -6.420 1.00 0.00 H ATOM 684 HG1 THR A 46 -12.569 8.716 -5.327 1.00 0.00 H ATOM 685 HG21 THR A 46 -12.170 8.895 -8.065 1.00 0.00 H ATOM 686 HG22 THR A 46 -13.191 7.938 -6.991 1.00 0.00 H ATOM 687 HG23 THR A 46 -13.920 8.897 -8.279 1.00 0.00 H ATOM 688 N MET A 47 -14.326 11.114 -8.881 1.00 0.00 N ATOM 689 CA MET A 47 -14.911 11.277 -10.208 1.00 0.00 C ATOM 690 C MET A 47 -13.984 10.723 -11.286 1.00 0.00 C ATOM 691 O MET A 47 -13.750 11.369 -12.307 1.00 0.00 O ATOM 692 CB MET A 47 -15.202 12.754 -10.485 1.00 0.00 C ATOM 693 CG MET A 47 -16.383 13.301 -9.700 1.00 0.00 C ATOM 694 SD MET A 47 -17.474 14.323 -10.710 1.00 0.00 S ATOM 695 CE MET A 47 -17.955 15.575 -9.522 1.00 0.00 C ATOM 696 H MET A 47 -14.846 10.664 -8.181 1.00 0.00 H ATOM 697 HA MET A 47 -15.839 10.727 -10.230 1.00 0.00 H ATOM 698 HB2 MET A 47 -14.328 13.335 -10.229 1.00 0.00 H ATOM 699 HB3 MET A 47 -15.409 12.876 -11.538 1.00 0.00 H ATOM 700 HG2 MET A 47 -16.952 12.473 -9.308 1.00 0.00 H ATOM 701 HG3 MET A 47 -16.010 13.899 -8.883 1.00 0.00 H ATOM 702 HE1 MET A 47 -17.619 15.285 -8.537 1.00 0.00 H ATOM 703 HE2 MET A 47 -17.507 16.519 -9.792 1.00 0.00 H ATOM 704 HE3 MET A 47 -19.031 15.674 -9.519 1.00 0.00 H ATOM 705 N LEU A 48 -13.463 9.524 -11.053 1.00 0.00 N ATOM 706 CA LEU A 48 -12.562 8.883 -12.005 1.00 0.00 C ATOM 707 C LEU A 48 -13.276 7.770 -12.764 1.00 0.00 C ATOM 708 O LEU A 48 -14.313 7.273 -12.323 1.00 0.00 O ATOM 709 CB LEU A 48 -11.343 8.313 -11.278 1.00 0.00 C ATOM 710 CG LEU A 48 -11.488 6.861 -10.817 1.00 0.00 C ATOM 711 CD1 LEU A 48 -10.771 5.921 -11.773 1.00 0.00 C ATOM 712 CD2 LEU A 48 -10.952 6.696 -9.403 1.00 0.00 C ATOM 713 H LEU A 48 -13.688 9.057 -10.220 1.00 0.00 H ATOM 714 HA LEU A 48 -12.234 9.632 -12.710 1.00 0.00 H ATOM 715 HB2 LEU A 48 -10.492 8.376 -11.940 1.00 0.00 H ATOM 716 HB3 LEU A 48 -11.149 8.924 -10.410 1.00 0.00 H ATOM 717 HG LEU A 48 -12.536 6.596 -10.811 1.00 0.00 H ATOM 718 HD11 LEU A 48 -10.291 6.495 -12.551 1.00 0.00 H ATOM 719 HD12 LEU A 48 -10.028 5.355 -11.231 1.00 0.00 H ATOM 720 HD13 LEU A 48 -11.487 5.244 -12.215 1.00 0.00 H ATOM 721 HD21 LEU A 48 -10.272 7.504 -9.182 1.00 0.00 H ATOM 722 HD22 LEU A 48 -11.773 6.714 -8.704 1.00 0.00 H ATOM 723 HD23 LEU A 48 -10.430 5.753 -9.324 1.00 0.00 H ATOM 724 N VAL A 49 -12.714 7.379 -13.904 1.00 0.00 N ATOM 725 CA VAL A 49 -13.301 6.317 -14.715 1.00 0.00 C ATOM 726 C VAL A 49 -13.936 5.255 -13.826 1.00 0.00 C ATOM 727 O VAL A 49 -13.238 4.481 -13.170 1.00 0.00 O ATOM 728 CB VAL A 49 -12.259 5.641 -15.630 1.00 0.00 C ATOM 729 CG1 VAL A 49 -12.810 5.483 -17.040 1.00 0.00 C ATOM 730 CG2 VAL A 49 -10.957 6.428 -15.643 1.00 0.00 C ATOM 731 H VAL A 49 -11.887 7.811 -14.202 1.00 0.00 H ATOM 732 HA VAL A 49 -14.068 6.758 -15.337 1.00 0.00 H ATOM 733 HB VAL A 49 -12.055 4.656 -15.238 1.00 0.00 H ATOM 734 HG11 VAL A 49 -13.264 6.410 -17.356 1.00 0.00 H ATOM 735 HG12 VAL A 49 -12.005 5.228 -17.714 1.00 0.00 H ATOM 736 HG13 VAL A 49 -13.551 4.696 -17.052 1.00 0.00 H ATOM 737 HG21 VAL A 49 -11.161 7.456 -15.899 1.00 0.00 H ATOM 738 HG22 VAL A 49 -10.500 6.383 -14.665 1.00 0.00 H ATOM 739 HG23 VAL A 49 -10.286 6.001 -16.374 1.00 0.00 H ATOM 740 N GLN A 50 -15.261 5.230 -13.800 1.00 0.00 N ATOM 741 CA GLN A 50 -15.992 4.270 -12.983 1.00 0.00 C ATOM 742 C GLN A 50 -15.847 2.853 -13.529 1.00 0.00 C ATOM 743 O GLN A 50 -16.840 2.186 -13.822 1.00 0.00 O ATOM 744 CB GLN A 50 -17.469 4.657 -12.913 1.00 0.00 C ATOM 745 CG GLN A 50 -17.702 6.079 -12.429 1.00 0.00 C ATOM 746 CD GLN A 50 -17.621 6.201 -10.919 1.00 0.00 C ATOM 747 OE1 GLN A 50 -16.869 7.019 -10.389 1.00 0.00 O ATOM 748 NE2 GLN A 50 -18.398 5.385 -10.220 1.00 0.00 N ATOM 749 H GLN A 50 -15.761 5.877 -14.340 1.00 0.00 H ATOM 750 HA GLN A 50 -15.575 4.301 -11.987 1.00 0.00 H ATOM 751 HB2 GLN A 50 -17.901 4.559 -13.898 1.00 0.00 H ATOM 752 HB3 GLN A 50 -17.974 3.982 -12.238 1.00 0.00 H ATOM 753 HG2 GLN A 50 -16.952 6.722 -12.866 1.00 0.00 H ATOM 754 HG3 GLN A 50 -18.682 6.399 -12.750 1.00 0.00 H ATOM 755 HE21 GLN A 50 -18.971 4.758 -10.710 1.00 0.00 H ATOM 756 HE22 GLN A 50 -18.369 5.443 -9.242 1.00 0.00 H ATOM 757 N LYS A 51 -14.605 2.394 -13.658 1.00 0.00 N ATOM 758 CA LYS A 51 -14.334 1.053 -14.164 1.00 0.00 C ATOM 759 C LYS A 51 -13.727 0.177 -13.071 1.00 0.00 C ATOM 760 O LYS A 51 -12.553 -0.187 -13.134 1.00 0.00 O ATOM 761 CB LYS A 51 -13.390 1.119 -15.366 1.00 0.00 C ATOM 762 CG LYS A 51 -14.080 0.857 -16.695 1.00 0.00 C ATOM 763 CD LYS A 51 -14.134 -0.629 -17.010 1.00 0.00 C ATOM 764 CE LYS A 51 -13.829 -0.899 -18.475 1.00 0.00 C ATOM 765 NZ LYS A 51 -12.550 -1.642 -18.651 1.00 0.00 N ATOM 766 H LYS A 51 -13.854 2.970 -13.404 1.00 0.00 H ATOM 767 HA LYS A 51 -15.272 0.620 -14.477 1.00 0.00 H ATOM 768 HB2 LYS A 51 -12.943 2.102 -15.405 1.00 0.00 H ATOM 769 HB3 LYS A 51 -12.610 0.383 -15.239 1.00 0.00 H ATOM 770 HG2 LYS A 51 -15.087 1.242 -16.648 1.00 0.00 H ATOM 771 HG3 LYS A 51 -13.534 1.363 -17.477 1.00 0.00 H ATOM 772 HD2 LYS A 51 -13.405 -1.143 -16.401 1.00 0.00 H ATOM 773 HD3 LYS A 51 -15.122 -0.999 -16.781 1.00 0.00 H ATOM 774 HE2 LYS A 51 -14.634 -1.484 -18.894 1.00 0.00 H ATOM 775 HE3 LYS A 51 -13.763 0.045 -18.995 1.00 0.00 H ATOM 776 HZ1 LYS A 51 -12.522 -2.464 -18.014 1.00 0.00 H ATOM 777 HZ2 LYS A 51 -12.461 -1.975 -19.632 1.00 0.00 H ATOM 778 HZ3 LYS A 51 -11.744 -1.022 -18.433 1.00 0.00 H ATOM 779 N ASN A 52 -14.533 -0.154 -12.066 1.00 0.00 N ATOM 780 CA ASN A 52 -14.072 -0.982 -10.958 1.00 0.00 C ATOM 781 C ASN A 52 -13.015 -0.248 -10.141 1.00 0.00 C ATOM 782 O ASN A 52 -12.032 -0.842 -9.700 1.00 0.00 O ATOM 783 CB ASN A 52 -13.500 -2.303 -11.481 1.00 0.00 C ATOM 784 CG ASN A 52 -14.534 -3.125 -12.225 1.00 0.00 C ATOM 785 OD1 ASN A 52 -15.574 -3.482 -11.671 1.00 0.00 O ATOM 786 ND2 ASN A 52 -14.253 -3.432 -13.486 1.00 0.00 N ATOM 787 H ASN A 52 -15.460 0.169 -12.069 1.00 0.00 H ATOM 788 HA ASN A 52 -14.920 -1.193 -10.324 1.00 0.00 H ATOM 789 HB2 ASN A 52 -12.683 -2.092 -12.155 1.00 0.00 H ATOM 790 HB3 ASN A 52 -13.135 -2.884 -10.648 1.00 0.00 H ATOM 791 HD21 ASN A 52 -13.406 -3.115 -13.862 1.00 0.00 H ATOM 792 HD22 ASN A 52 -14.907 -3.961 -13.990 1.00 0.00 H ATOM 793 N VAL A 53 -13.225 1.049 -9.946 1.00 0.00 N ATOM 794 CA VAL A 53 -12.293 1.872 -9.185 1.00 0.00 C ATOM 795 C VAL A 53 -13.036 2.889 -8.326 1.00 0.00 C ATOM 796 O VAL A 53 -12.496 3.941 -7.985 1.00 0.00 O ATOM 797 CB VAL A 53 -11.324 2.622 -10.121 1.00 0.00 C ATOM 798 CG1 VAL A 53 -10.042 2.989 -9.388 1.00 0.00 C ATOM 799 CG2 VAL A 53 -11.023 1.786 -11.355 1.00 0.00 C ATOM 800 H VAL A 53 -14.028 1.465 -10.326 1.00 0.00 H ATOM 801 HA VAL A 53 -11.715 1.222 -8.544 1.00 0.00 H ATOM 802 HB VAL A 53 -11.803 3.536 -10.441 1.00 0.00 H ATOM 803 HG11 VAL A 53 -10.278 3.289 -8.378 1.00 0.00 H ATOM 804 HG12 VAL A 53 -9.381 2.136 -9.366 1.00 0.00 H ATOM 805 HG13 VAL A 53 -9.556 3.807 -9.901 1.00 0.00 H ATOM 806 HG21 VAL A 53 -11.946 1.549 -11.862 1.00 0.00 H ATOM 807 HG22 VAL A 53 -10.378 2.342 -12.018 1.00 0.00 H ATOM 808 HG23 VAL A 53 -10.531 0.871 -11.059 1.00 0.00 H ATOM 809 N THR A 54 -14.280 2.571 -7.985 1.00 0.00 N ATOM 810 CA THR A 54 -15.099 3.464 -7.172 1.00 0.00 C ATOM 811 C THR A 54 -15.619 2.756 -5.921 1.00 0.00 C ATOM 812 O THR A 54 -15.783 3.375 -4.870 1.00 0.00 O ATOM 813 CB THR A 54 -16.268 4.001 -8.002 1.00 0.00 C ATOM 814 OG1 THR A 54 -16.532 5.355 -7.682 1.00 0.00 O ATOM 815 CG2 THR A 54 -17.554 3.226 -7.808 1.00 0.00 C ATOM 816 H THR A 54 -14.658 1.721 -8.290 1.00 0.00 H ATOM 817 HA THR A 54 -14.478 4.293 -6.868 1.00 0.00 H ATOM 818 HB THR A 54 -16.006 3.946 -9.050 1.00 0.00 H ATOM 819 HG1 THR A 54 -16.642 5.445 -6.733 1.00 0.00 H ATOM 820 HG21 THR A 54 -17.787 3.175 -6.755 1.00 0.00 H ATOM 821 HG22 THR A 54 -18.358 3.724 -8.332 1.00 0.00 H ATOM 822 HG23 THR A 54 -17.434 2.227 -8.198 1.00 0.00 H ATOM 823 N SER A 55 -15.881 1.457 -6.043 1.00 0.00 N ATOM 824 CA SER A 55 -16.389 0.669 -4.923 1.00 0.00 C ATOM 825 C SER A 55 -15.360 0.572 -3.800 1.00 0.00 C ATOM 826 O SER A 55 -15.654 0.891 -2.648 1.00 0.00 O ATOM 827 CB SER A 55 -16.775 -0.734 -5.392 1.00 0.00 C ATOM 828 OG SER A 55 -16.227 -1.013 -6.670 1.00 0.00 O ATOM 829 H SER A 55 -15.734 1.019 -6.907 1.00 0.00 H ATOM 830 HA SER A 55 -17.271 1.164 -4.543 1.00 0.00 H ATOM 831 HB2 SER A 55 -16.401 -1.462 -4.689 1.00 0.00 H ATOM 832 HB3 SER A 55 -17.850 -0.809 -5.450 1.00 0.00 H ATOM 833 HG SER A 55 -15.301 -1.247 -6.578 1.00 0.00 H ATOM 834 N GLU A 56 -14.155 0.126 -4.143 1.00 0.00 N ATOM 835 CA GLU A 56 -13.082 -0.017 -3.164 1.00 0.00 C ATOM 836 C GLU A 56 -13.182 1.047 -2.077 1.00 0.00 C ATOM 837 O GLU A 56 -13.723 2.129 -2.301 1.00 0.00 O ATOM 838 CB GLU A 56 -11.719 0.075 -3.853 1.00 0.00 C ATOM 839 CG GLU A 56 -10.599 -0.604 -3.080 1.00 0.00 C ATOM 840 CD GLU A 56 -9.400 0.300 -2.873 1.00 0.00 C ATOM 841 OE1 GLU A 56 -9.479 1.201 -2.012 1.00 0.00 O ATOM 842 OE2 GLU A 56 -8.383 0.107 -3.572 1.00 0.00 O ATOM 843 H GLU A 56 -13.983 -0.116 -5.076 1.00 0.00 H ATOM 844 HA GLU A 56 -13.177 -0.991 -2.707 1.00 0.00 H ATOM 845 HB2 GLU A 56 -11.788 -0.387 -4.825 1.00 0.00 H ATOM 846 HB3 GLU A 56 -11.461 1.116 -3.976 1.00 0.00 H ATOM 847 HG2 GLU A 56 -10.975 -0.903 -2.114 1.00 0.00 H ATOM 848 HG3 GLU A 56 -10.281 -1.479 -3.627 1.00 0.00 H ATOM 849 N SER A 57 -12.652 0.729 -0.900 1.00 0.00 N ATOM 850 CA SER A 57 -12.675 1.656 0.226 1.00 0.00 C ATOM 851 C SER A 57 -11.315 1.691 0.925 1.00 0.00 C ATOM 852 O SER A 57 -10.318 1.212 0.384 1.00 0.00 O ATOM 853 CB SER A 57 -13.773 1.258 1.218 1.00 0.00 C ATOM 854 OG SER A 57 -13.239 1.004 2.505 1.00 0.00 O ATOM 855 H SER A 57 -12.232 -0.149 -0.787 1.00 0.00 H ATOM 856 HA SER A 57 -12.891 2.640 -0.160 1.00 0.00 H ATOM 857 HB2 SER A 57 -14.493 2.059 1.294 1.00 0.00 H ATOM 858 HB3 SER A 57 -14.266 0.364 0.864 1.00 0.00 H ATOM 859 HG SER A 57 -13.956 0.833 3.121 1.00 0.00 H ATOM 860 N THR A 58 -11.281 2.261 2.125 1.00 0.00 N ATOM 861 CA THR A 58 -10.044 2.358 2.894 1.00 0.00 C ATOM 862 C THR A 58 -8.957 3.066 2.092 1.00 0.00 C ATOM 863 O THR A 58 -9.152 3.400 0.924 1.00 0.00 O ATOM 864 CB THR A 58 -9.560 0.966 3.305 1.00 0.00 C ATOM 865 OG1 THR A 58 -9.791 0.027 2.271 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.233 0.445 4.557 1.00 0.00 C ATOM 867 H THR A 58 -12.108 2.626 2.504 1.00 0.00 H ATOM 868 HA THR A 58 -10.251 2.935 3.783 1.00 0.00 H ATOM 869 HB THR A 58 -8.497 1.009 3.495 1.00 0.00 H ATOM 870 HG1 THR A 58 -9.037 0.013 1.675 1.00 0.00 H ATOM 871 HG21 THR A 58 -10.489 1.274 5.199 1.00 0.00 H ATOM 872 HG22 THR A 58 -11.131 -0.092 4.288 1.00 0.00 H ATOM 873 HG23 THR A 58 -9.559 -0.218 5.077 1.00 0.00 H ATOM 874 N CYS A 59 -7.810 3.291 2.727 1.00 0.00 N ATOM 875 CA CYS A 59 -6.691 3.954 2.070 1.00 0.00 C ATOM 876 C CYS A 59 -5.368 3.566 2.720 1.00 0.00 C ATOM 877 O CYS A 59 -5.268 3.487 3.944 1.00 0.00 O ATOM 878 CB CYS A 59 -6.869 5.474 2.116 1.00 0.00 C ATOM 879 SG CYS A 59 -8.550 6.039 1.697 1.00 0.00 S ATOM 880 H CYS A 59 -7.714 2.999 3.658 1.00 0.00 H ATOM 881 HA CYS A 59 -6.677 3.635 1.042 1.00 0.00 H ATOM 882 HB2 CYS A 59 -6.644 5.826 3.112 1.00 0.00 H ATOM 883 HB3 CYS A 59 -6.184 5.930 1.417 1.00 0.00 H ATOM 884 N CYS A 60 -4.357 3.322 1.894 1.00 0.00 N ATOM 885 CA CYS A 60 -3.044 2.940 2.397 1.00 0.00 C ATOM 886 C CYS A 60 -2.006 4.017 2.103 1.00 0.00 C ATOM 887 O CYS A 60 -1.761 4.364 0.947 1.00 0.00 O ATOM 888 CB CYS A 60 -2.602 1.608 1.790 1.00 0.00 C ATOM 889 SG CYS A 60 -3.591 1.074 0.360 1.00 0.00 S ATOM 890 H CYS A 60 -4.495 3.400 0.927 1.00 0.00 H ATOM 891 HA CYS A 60 -3.124 2.825 3.466 1.00 0.00 H ATOM 892 HB2 CYS A 60 -1.575 1.693 1.463 1.00 0.00 H ATOM 893 HB3 CYS A 60 -2.671 0.839 2.544 1.00 0.00 H ATOM 894 N VAL A 61 -1.400 4.536 3.163 1.00 0.00 N ATOM 895 CA VAL A 61 -0.382 5.570 3.045 1.00 0.00 C ATOM 896 C VAL A 61 0.850 5.189 3.856 1.00 0.00 C ATOM 897 O VAL A 61 1.100 5.762 4.915 1.00 0.00 O ATOM 898 CB VAL A 61 -0.911 6.928 3.546 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.089 8.037 3.261 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.261 7.239 2.916 1.00 0.00 C ATOM 901 H VAL A 61 -1.642 4.210 4.054 1.00 0.00 H ATOM 902 HA VAL A 61 -0.110 5.666 2.004 1.00 0.00 H ATOM 903 HB VAL A 61 -1.047 6.865 4.615 1.00 0.00 H ATOM 904 HG11 VAL A 61 1.077 7.614 3.166 1.00 0.00 H ATOM 905 HG12 VAL A 61 -0.180 8.538 2.343 1.00 0.00 H ATOM 906 HG13 VAL A 61 0.079 8.747 4.076 1.00 0.00 H ATOM 907 HG21 VAL A 61 -2.541 6.436 2.250 1.00 0.00 H ATOM 908 HG22 VAL A 61 -3.006 7.339 3.691 1.00 0.00 H ATOM 909 HG23 VAL A 61 -2.195 8.162 2.358 1.00 0.00 H ATOM 910 N ALA A 62 1.605 4.205 3.361 1.00 0.00 N ATOM 911 CA ALA A 62 2.800 3.733 4.057 1.00 0.00 C ATOM 912 C ALA A 62 2.784 4.165 5.518 1.00 0.00 C ATOM 913 O ALA A 62 3.201 5.273 5.852 1.00 0.00 O ATOM 914 CB ALA A 62 4.060 4.232 3.368 1.00 0.00 C ATOM 915 H ALA A 62 1.347 3.781 2.515 1.00 0.00 H ATOM 916 HA ALA A 62 2.804 2.655 4.015 1.00 0.00 H ATOM 917 HB1 ALA A 62 4.537 4.976 3.987 1.00 0.00 H ATOM 918 HB2 ALA A 62 4.736 3.402 3.215 1.00 0.00 H ATOM 919 HB3 ALA A 62 3.800 4.665 2.416 1.00 0.00 H ATOM 920 N LYS A 63 2.306 3.279 6.385 1.00 0.00 N ATOM 921 CA LYS A 63 2.243 3.568 7.807 1.00 0.00 C ATOM 922 C LYS A 63 3.585 4.072 8.270 1.00 0.00 C ATOM 923 O LYS A 63 3.686 4.913 9.163 1.00 0.00 O ATOM 924 CB LYS A 63 1.866 2.316 8.594 1.00 0.00 C ATOM 925 CG LYS A 63 1.381 2.616 9.994 1.00 0.00 C ATOM 926 CD LYS A 63 1.348 1.363 10.853 1.00 0.00 C ATOM 927 CE LYS A 63 0.167 1.374 11.808 1.00 0.00 C ATOM 928 NZ LYS A 63 0.359 2.348 12.917 1.00 0.00 N ATOM 929 H LYS A 63 2.002 2.408 6.062 1.00 0.00 H ATOM 930 HA LYS A 63 1.498 4.333 7.968 1.00 0.00 H ATOM 931 HB2 LYS A 63 1.086 1.790 8.064 1.00 0.00 H ATOM 932 HB3 LYS A 63 2.736 1.676 8.666 1.00 0.00 H ATOM 933 HG2 LYS A 63 2.049 3.335 10.444 1.00 0.00 H ATOM 934 HG3 LYS A 63 0.386 3.030 9.935 1.00 0.00 H ATOM 935 HD2 LYS A 63 1.272 0.500 10.210 1.00 0.00 H ATOM 936 HD3 LYS A 63 2.263 1.308 11.425 1.00 0.00 H ATOM 937 HE2 LYS A 63 -0.723 1.640 11.257 1.00 0.00 H ATOM 938 HE3 LYS A 63 0.048 0.384 12.226 1.00 0.00 H ATOM 939 HZ1 LYS A 63 1.296 2.793 12.843 1.00 0.00 H ATOM 940 HZ2 LYS A 63 -0.369 3.089 12.872 1.00 0.00 H ATOM 941 HZ3 LYS A 63 0.289 1.863 13.834 1.00 0.00 H ATOM 942 N SER A 64 4.616 3.551 7.634 1.00 0.00 N ATOM 943 CA SER A 64 5.973 3.942 7.947 1.00 0.00 C ATOM 944 C SER A 64 6.831 3.888 6.697 1.00 0.00 C ATOM 945 O SER A 64 7.189 2.812 6.226 1.00 0.00 O ATOM 946 CB SER A 64 6.559 3.039 9.029 1.00 0.00 C ATOM 947 OG SER A 64 5.678 2.919 10.132 1.00 0.00 O ATOM 948 H SER A 64 4.453 2.892 6.921 1.00 0.00 H ATOM 949 HA SER A 64 5.939 4.955 8.307 1.00 0.00 H ATOM 950 HB2 SER A 64 6.735 2.059 8.616 1.00 0.00 H ATOM 951 HB3 SER A 64 7.493 3.459 9.370 1.00 0.00 H ATOM 952 HG SER A 64 5.044 2.220 9.961 1.00 0.00 H ATOM 953 N TYR A 65 7.142 5.053 6.157 1.00 0.00 N ATOM 954 CA TYR A 65 7.943 5.142 4.943 1.00 0.00 C ATOM 955 C TYR A 65 9.421 5.249 5.244 1.00 0.00 C ATOM 956 O TYR A 65 9.828 5.570 6.360 1.00 0.00 O ATOM 957 CB TYR A 65 7.532 6.357 4.121 1.00 0.00 C ATOM 958 CG TYR A 65 7.193 7.574 4.950 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.932 7.728 5.510 1.00 0.00 C ATOM 960 CD2 TYR A 65 8.136 8.572 5.168 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.619 8.840 6.267 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.831 9.687 5.924 1.00 0.00 C ATOM 963 CZ TYR A 65 6.571 9.817 6.470 1.00 0.00 C ATOM 964 OH TYR A 65 6.262 10.927 7.224 1.00 0.00 O ATOM 965 H TYR A 65 6.815 5.874 6.577 1.00 0.00 H ATOM 966 HA TYR A 65 7.769 4.252 4.357 1.00 0.00 H ATOM 967 HB2 TYR A 65 8.349 6.624 3.463 1.00 0.00 H ATOM 968 HB3 TYR A 65 6.670 6.103 3.532 1.00 0.00 H ATOM 969 HD1 TYR A 65 5.190 6.960 5.350 1.00 0.00 H ATOM 970 HD2 TYR A 65 9.121 8.466 4.739 1.00 0.00 H ATOM 971 HE1 TYR A 65 4.634 8.942 6.696 1.00 0.00 H ATOM 972 HE2 TYR A 65 8.577 10.452 6.084 1.00 0.00 H ATOM 973 HH TYR A 65 6.702 10.868 8.075 1.00 0.00 H ATOM 974 N ASN A 66 10.217 5.014 4.212 1.00 0.00 N ATOM 975 CA ASN A 66 11.661 5.118 4.322 1.00 0.00 C ATOM 976 C ASN A 66 12.164 5.858 3.109 1.00 0.00 C ATOM 977 O ASN A 66 13.280 5.668 2.624 1.00 0.00 O ATOM 978 CB ASN A 66 12.287 3.742 4.442 1.00 0.00 C ATOM 979 CG ASN A 66 13.800 3.772 4.360 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.418 2.895 3.759 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.407 4.784 4.970 1.00 0.00 N ATOM 982 H ASN A 66 9.814 4.791 3.331 1.00 0.00 H ATOM 983 HA ASN A 66 11.882 5.703 5.197 1.00 0.00 H ATOM 984 HB2 ASN A 66 12.003 3.318 5.391 1.00 0.00 H ATOM 985 HB3 ASN A 66 11.908 3.123 3.648 1.00 0.00 H ATOM 986 HD21 ASN A 66 13.851 5.445 5.433 1.00 0.00 H ATOM 987 HD22 ASN A 66 15.385 4.828 4.933 1.00 0.00 H ATOM 988 N ARG A 67 11.267 6.695 2.647 1.00 0.00 N ATOM 989 CA ARG A 67 11.456 7.543 1.479 1.00 0.00 C ATOM 990 C ARG A 67 12.895 7.538 0.980 1.00 0.00 C ATOM 991 O ARG A 67 13.843 7.699 1.748 1.00 0.00 O ATOM 992 CB ARG A 67 11.000 8.962 1.801 1.00 0.00 C ATOM 993 CG ARG A 67 10.144 9.588 0.712 1.00 0.00 C ATOM 994 CD ARG A 67 10.785 10.847 0.148 1.00 0.00 C ATOM 995 NE ARG A 67 10.473 12.029 0.949 1.00 0.00 N ATOM 996 CZ ARG A 67 11.288 12.538 1.868 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.456 11.962 2.122 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.934 13.628 2.535 1.00 0.00 N ATOM 999 H ARG A 67 10.419 6.737 3.127 1.00 0.00 H ATOM 1000 HA ARG A 67 10.826 7.156 0.695 1.00 0.00 H ATOM 1001 HB2 ARG A 67 10.418 8.938 2.712 1.00 0.00 H ATOM 1002 HB3 ARG A 67 11.867 9.580 1.953 1.00 0.00 H ATOM 1003 HG2 ARG A 67 10.019 8.873 -0.088 1.00 0.00 H ATOM 1004 HG3 ARG A 67 9.180 9.840 1.126 1.00 0.00 H ATOM 1005 HD2 ARG A 67 11.855 10.711 0.124 1.00 0.00 H ATOM 1006 HD3 ARG A 67 10.422 10.999 -0.858 1.00 0.00 H ATOM 1007 HE ARG A 67 9.612 12.469 0.788 1.00 0.00 H ATOM 1008 HH11 ARG A 67 12.727 11.140 1.624 1.00 0.00 H ATOM 1009 HH12 ARG A 67 13.065 12.351 2.813 1.00 0.00 H ATOM 1010 HH21 ARG A 67 10.054 14.064 2.349 1.00 0.00 H ATOM 1011 HH22 ARG A 67 11.548 14.013 3.224 1.00 0.00 H ATOM 1012 N VAL A 68 13.029 7.351 -0.327 1.00 0.00 N ATOM 1013 CA VAL A 68 14.329 7.318 -0.983 1.00 0.00 C ATOM 1014 C VAL A 68 14.270 8.058 -2.309 1.00 0.00 C ATOM 1015 O VAL A 68 14.641 7.518 -3.349 1.00 0.00 O ATOM 1016 CB VAL A 68 14.783 5.873 -1.258 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.749 5.032 0.009 1.00 0.00 C ATOM 1018 CG2 VAL A 68 13.916 5.250 -2.345 1.00 0.00 C ATOM 1019 H VAL A 68 12.224 7.234 -0.868 1.00 0.00 H ATOM 1020 HA VAL A 68 15.049 7.795 -0.339 1.00 0.00 H ATOM 1021 HB VAL A 68 15.802 5.899 -1.616 1.00 0.00 H ATOM 1022 HG11 VAL A 68 14.627 5.672 0.866 1.00 0.00 H ATOM 1023 HG12 VAL A 68 13.924 4.337 -0.043 1.00 0.00 H ATOM 1024 HG13 VAL A 68 15.675 4.479 0.099 1.00 0.00 H ATOM 1025 HG21 VAL A 68 13.377 6.021 -2.869 1.00 0.00 H ATOM 1026 HG22 VAL A 68 14.541 4.718 -3.040 1.00 0.00 H ATOM 1027 HG23 VAL A 68 13.211 4.564 -1.899 1.00 0.00 H ATOM 1028 N THR A 69 13.783 9.290 -2.267 1.00 0.00 N ATOM 1029 CA THR A 69 13.651 10.100 -3.467 1.00 0.00 C ATOM 1030 C THR A 69 14.627 9.661 -4.548 1.00 0.00 C ATOM 1031 O THR A 69 15.844 9.711 -4.362 1.00 0.00 O ATOM 1032 CB THR A 69 13.865 11.576 -3.167 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.837 12.077 -2.332 1.00 0.00 O ATOM 1034 CG2 THR A 69 13.898 12.412 -4.426 1.00 0.00 C ATOM 1035 H THR A 69 13.492 9.655 -1.411 1.00 0.00 H ATOM 1036 HA THR A 69 12.647 9.968 -3.837 1.00 0.00 H ATOM 1037 HB THR A 69 14.810 11.698 -2.661 1.00 0.00 H ATOM 1038 HG1 THR A 69 12.822 13.035 -2.381 1.00 0.00 H ATOM 1039 HG21 THR A 69 12.964 12.297 -4.957 1.00 0.00 H ATOM 1040 HG22 THR A 69 14.042 13.448 -4.168 1.00 0.00 H ATOM 1041 HG23 THR A 69 14.710 12.078 -5.056 1.00 0.00 H ATOM 1042 N VAL A 70 14.082 9.228 -5.672 1.00 0.00 N ATOM 1043 CA VAL A 70 14.896 8.773 -6.792 1.00 0.00 C ATOM 1044 C VAL A 70 14.729 9.652 -8.022 1.00 0.00 C ATOM 1045 O VAL A 70 14.140 10.731 -7.966 1.00 0.00 O ATOM 1046 CB VAL A 70 14.555 7.327 -7.194 1.00 0.00 C ATOM 1047 CG1 VAL A 70 15.799 6.458 -7.152 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.460 6.759 -6.304 1.00 0.00 C ATOM 1049 H VAL A 70 13.110 9.210 -5.747 1.00 0.00 H ATOM 1050 HA VAL A 70 15.928 8.802 -6.487 1.00 0.00 H ATOM 1051 HB VAL A 70 14.190 7.338 -8.212 1.00 0.00 H ATOM 1052 HG11 VAL A 70 16.421 6.763 -6.324 1.00 0.00 H ATOM 1053 HG12 VAL A 70 15.515 5.425 -7.028 1.00 0.00 H ATOM 1054 HG13 VAL A 70 16.350 6.573 -8.074 1.00 0.00 H ATOM 1055 HG21 VAL A 70 13.661 7.020 -5.274 1.00 0.00 H ATOM 1056 HG22 VAL A 70 12.506 7.170 -6.598 1.00 0.00 H ATOM 1057 HG23 VAL A 70 13.436 5.684 -6.404 1.00 0.00 H ATOM 1058 N MET A 71 15.261 9.159 -9.132 1.00 0.00 N ATOM 1059 CA MET A 71 15.196 9.859 -10.411 1.00 0.00 C ATOM 1060 C MET A 71 15.175 11.366 -10.208 1.00 0.00 C ATOM 1061 O MET A 71 15.908 11.901 -9.378 1.00 0.00 O ATOM 1062 CB MET A 71 13.953 9.420 -11.189 1.00 0.00 C ATOM 1063 CG MET A 71 13.386 8.103 -10.712 1.00 0.00 C ATOM 1064 SD MET A 71 12.080 7.472 -11.784 1.00 0.00 S ATOM 1065 CE MET A 71 12.859 7.596 -13.393 1.00 0.00 C ATOM 1066 H MET A 71 15.712 8.291 -9.089 1.00 0.00 H ATOM 1067 HA MET A 71 16.073 9.594 -10.977 1.00 0.00 H ATOM 1068 HB2 MET A 71 13.187 10.172 -11.079 1.00 0.00 H ATOM 1069 HB3 MET A 71 14.208 9.323 -12.233 1.00 0.00 H ATOM 1070 HG2 MET A 71 14.185 7.382 -10.675 1.00 0.00 H ATOM 1071 HG3 MET A 71 12.982 8.247 -9.721 1.00 0.00 H ATOM 1072 HE1 MET A 71 13.124 8.626 -13.587 1.00 0.00 H ATOM 1073 HE2 MET A 71 13.750 6.988 -13.410 1.00 0.00 H ATOM 1074 HE3 MET A 71 12.173 7.252 -14.153 1.00 0.00 H ATOM 1075 N GLY A 72 14.326 12.046 -10.969 1.00 0.00 N ATOM 1076 CA GLY A 72 14.220 13.481 -10.854 1.00 0.00 C ATOM 1077 C GLY A 72 13.544 13.915 -9.567 1.00 0.00 C ATOM 1078 O GLY A 72 13.127 15.066 -9.435 1.00 0.00 O ATOM 1079 H GLY A 72 13.765 11.569 -11.613 1.00 0.00 H ATOM 1080 HA2 GLY A 72 15.212 13.902 -10.887 1.00 0.00 H ATOM 1081 HA3 GLY A 72 13.650 13.851 -11.691 1.00 0.00 H ATOM 1082 N GLY A 73 13.429 12.990 -8.620 1.00 0.00 N ATOM 1083 CA GLY A 73 12.795 13.295 -7.353 1.00 0.00 C ATOM 1084 C GLY A 73 11.643 12.357 -7.058 1.00 0.00 C ATOM 1085 O GLY A 73 10.622 12.767 -6.506 1.00 0.00 O ATOM 1086 H GLY A 73 13.774 12.091 -8.782 1.00 0.00 H ATOM 1087 HA2 GLY A 73 13.528 13.210 -6.565 1.00 0.00 H ATOM 1088 HA3 GLY A 73 12.424 14.308 -7.380 1.00 0.00 H ATOM 1089 N PHE A 74 11.805 11.093 -7.438 1.00 0.00 N ATOM 1090 CA PHE A 74 10.770 10.090 -7.222 1.00 0.00 C ATOM 1091 C PHE A 74 10.714 9.667 -5.763 1.00 0.00 C ATOM 1092 O PHE A 74 11.681 9.136 -5.221 1.00 0.00 O ATOM 1093 CB PHE A 74 11.010 8.875 -8.117 1.00 0.00 C ATOM 1094 CG PHE A 74 10.427 9.034 -9.491 1.00 0.00 C ATOM 1095 CD1 PHE A 74 10.603 10.214 -10.196 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.697 8.011 -10.077 1.00 0.00 C ATOM 1097 CE1 PHE A 74 10.063 10.372 -11.459 1.00 0.00 C ATOM 1098 CE2 PHE A 74 9.157 8.162 -11.339 1.00 0.00 C ATOM 1099 CZ PHE A 74 9.339 9.344 -12.031 1.00 0.00 C ATOM 1100 H PHE A 74 12.640 10.830 -7.879 1.00 0.00 H ATOM 1101 HA PHE A 74 9.826 10.537 -7.486 1.00 0.00 H ATOM 1102 HB2 PHE A 74 12.074 8.717 -8.219 1.00 0.00 H ATOM 1103 HB3 PHE A 74 10.563 8.004 -7.659 1.00 0.00 H ATOM 1104 HD1 PHE A 74 11.170 11.019 -9.751 1.00 0.00 H ATOM 1105 HD2 PHE A 74 9.555 7.087 -9.536 1.00 0.00 H ATOM 1106 HE1 PHE A 74 10.207 11.297 -11.998 1.00 0.00 H ATOM 1107 HE2 PHE A 74 8.591 7.357 -11.784 1.00 0.00 H ATOM 1108 HZ PHE A 74 8.915 9.464 -13.017 1.00 0.00 H ATOM 1109 N LYS A 75 9.572 9.911 -5.133 1.00 0.00 N ATOM 1110 CA LYS A 75 9.378 9.570 -3.733 1.00 0.00 C ATOM 1111 C LYS A 75 8.629 8.256 -3.581 1.00 0.00 C ATOM 1112 O LYS A 75 7.525 8.082 -4.097 1.00 0.00 O ATOM 1113 CB LYS A 75 8.617 10.684 -3.016 1.00 0.00 C ATOM 1114 CG LYS A 75 8.756 12.041 -3.683 1.00 0.00 C ATOM 1115 CD LYS A 75 8.507 13.172 -2.701 1.00 0.00 C ATOM 1116 CE LYS A 75 7.356 14.056 -3.152 1.00 0.00 C ATOM 1117 NZ LYS A 75 6.037 13.508 -2.735 1.00 0.00 N ATOM 1118 H LYS A 75 8.842 10.334 -5.621 1.00 0.00 H ATOM 1119 HA LYS A 75 10.355 9.469 -3.281 1.00 0.00 H ATOM 1120 HB2 LYS A 75 7.569 10.427 -2.986 1.00 0.00 H ATOM 1121 HB3 LYS A 75 8.988 10.765 -2.004 1.00 0.00 H ATOM 1122 HG2 LYS A 75 9.757 12.136 -4.079 1.00 0.00 H ATOM 1123 HG3 LYS A 75 8.041 12.110 -4.489 1.00 0.00 H ATOM 1124 HD2 LYS A 75 8.266 12.751 -1.735 1.00 0.00 H ATOM 1125 HD3 LYS A 75 9.401 13.772 -2.621 1.00 0.00 H ATOM 1126 HE2 LYS A 75 7.482 15.037 -2.718 1.00 0.00 H ATOM 1127 HE3 LYS A 75 7.380 14.134 -4.229 1.00 0.00 H ATOM 1128 HZ1 LYS A 75 6.149 12.539 -2.373 1.00 0.00 H ATOM 1129 HZ2 LYS A 75 5.624 14.100 -1.985 1.00 0.00 H ATOM 1130 HZ3 LYS A 75 5.385 13.490 -3.545 1.00 0.00 H ATOM 1131 N VAL A 76 9.248 7.342 -2.858 1.00 0.00 N ATOM 1132 CA VAL A 76 8.675 6.026 -2.601 1.00 0.00 C ATOM 1133 C VAL A 76 8.450 5.839 -1.139 1.00 0.00 C ATOM 1134 O VAL A 76 8.216 4.725 -0.671 1.00 0.00 O ATOM 1135 CB VAL A 76 9.636 4.915 -3.052 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.799 4.938 -4.563 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.966 5.156 -2.358 1.00 0.00 C ATOM 1138 H VAL A 76 10.122 7.561 -2.480 1.00 0.00 H ATOM 1139 HA VAL A 76 7.753 5.954 -3.108 1.00 0.00 H ATOM 1140 HB VAL A 76 9.256 3.924 -2.741 1.00 0.00 H ATOM 1141 HG11 VAL A 76 8.904 5.336 -5.016 1.00 0.00 H ATOM 1142 HG12 VAL A 76 10.642 5.562 -4.823 1.00 0.00 H ATOM 1143 HG13 VAL A 76 9.970 3.935 -4.921 1.00 0.00 H ATOM 1144 HG21 VAL A 76 10.902 6.055 -1.765 1.00 0.00 H ATOM 1145 HG22 VAL A 76 11.196 4.321 -1.715 1.00 0.00 H ATOM 1146 HG23 VAL A 76 11.742 5.272 -3.097 1.00 0.00 H ATOM 1147 N GLU A 77 8.570 6.931 -0.425 1.00 0.00 N ATOM 1148 CA GLU A 77 8.440 6.894 1.026 1.00 0.00 C ATOM 1149 C GLU A 77 8.814 5.493 1.449 1.00 0.00 C ATOM 1150 O GLU A 77 8.149 4.868 2.269 1.00 0.00 O ATOM 1151 CB GLU A 77 7.011 7.226 1.458 1.00 0.00 C ATOM 1152 CG GLU A 77 6.076 7.514 0.299 1.00 0.00 C ATOM 1153 CD GLU A 77 6.176 8.946 -0.189 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.251 9.859 0.661 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.179 9.156 -1.420 1.00 0.00 O ATOM 1156 H GLU A 77 8.774 7.759 -0.890 1.00 0.00 H ATOM 1157 HA GLU A 77 9.137 7.597 1.451 1.00 0.00 H ATOM 1158 HB2 GLU A 77 6.612 6.387 2.004 1.00 0.00 H ATOM 1159 HB3 GLU A 77 7.031 8.091 2.103 1.00 0.00 H ATOM 1160 HG2 GLU A 77 6.323 6.854 -0.519 1.00 0.00 H ATOM 1161 HG3 GLU A 77 5.061 7.327 0.617 1.00 0.00 H ATOM 1162 N ASN A 78 9.858 4.997 0.784 1.00 0.00 N ATOM 1163 CA ASN A 78 10.325 3.640 0.947 1.00 0.00 C ATOM 1164 C ASN A 78 9.502 2.955 2.008 1.00 0.00 C ATOM 1165 O ASN A 78 9.951 2.694 3.124 1.00 0.00 O ATOM 1166 CB ASN A 78 11.813 3.536 1.223 1.00 0.00 C ATOM 1167 CG ASN A 78 12.229 2.102 1.041 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.152 1.560 -0.060 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.667 1.481 2.112 1.00 0.00 N ATOM 1170 H ASN A 78 10.277 5.555 0.131 1.00 0.00 H ATOM 1171 HA ASN A 78 10.131 3.138 0.002 1.00 0.00 H ATOM 1172 HB2 ASN A 78 12.356 4.158 0.528 1.00 0.00 H ATOM 1173 HB3 ASN A 78 12.024 3.838 2.232 1.00 0.00 H ATOM 1174 N HIS A 79 8.260 2.727 1.631 1.00 0.00 N ATOM 1175 CA HIS A 79 7.274 2.136 2.497 1.00 0.00 C ATOM 1176 C HIS A 79 7.823 1.027 3.353 1.00 0.00 C ATOM 1177 O HIS A 79 8.321 0.010 2.876 1.00 0.00 O ATOM 1178 CB HIS A 79 6.086 1.670 1.686 1.00 0.00 C ATOM 1179 CG HIS A 79 5.467 2.820 0.993 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.383 2.749 0.164 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.842 4.114 1.024 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.136 3.986 -0.285 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.996 4.856 0.210 1.00 0.00 N ATOM 1184 H HIS A 79 7.986 3.008 0.732 1.00 0.00 H ATOM 1185 HA HIS A 79 6.941 2.924 3.148 1.00 0.00 H ATOM 1186 HB2 HIS A 79 6.409 0.953 0.948 1.00 0.00 H ATOM 1187 HB3 HIS A 79 5.348 1.226 2.337 1.00 0.00 H ATOM 1188 HD1 HIS A 79 3.876 1.939 -0.053 1.00 0.00 H ATOM 1189 HD2 HIS A 79 6.668 4.512 1.597 1.00 0.00 H ATOM 1190 HE1 HIS A 79 3.349 4.237 -0.971 1.00 0.00 H ATOM 1191 N THR A 80 7.708 1.255 4.637 1.00 0.00 N ATOM 1192 CA THR A 80 8.167 0.308 5.630 1.00 0.00 C ATOM 1193 C THR A 80 6.981 -0.281 6.389 1.00 0.00 C ATOM 1194 O THR A 80 7.145 -1.193 7.201 1.00 0.00 O ATOM 1195 CB THR A 80 9.147 0.997 6.576 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.481 1.485 7.726 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.864 2.164 5.922 1.00 0.00 C ATOM 1198 H THR A 80 7.293 2.099 4.925 1.00 0.00 H ATOM 1199 HA THR A 80 8.680 -0.489 5.113 1.00 0.00 H ATOM 1200 HB THR A 80 9.894 0.284 6.891 1.00 0.00 H ATOM 1201 HG1 THR A 80 8.110 0.748 8.219 1.00 0.00 H ATOM 1202 HG21 THR A 80 9.137 2.885 5.574 1.00 0.00 H ATOM 1203 HG22 THR A 80 10.524 2.632 6.636 1.00 0.00 H ATOM 1204 HG23 THR A 80 10.439 1.805 5.081 1.00 0.00 H ATOM 1205 N ALA A 81 5.781 0.237 6.112 1.00 0.00 N ATOM 1206 CA ALA A 81 4.574 -0.256 6.765 1.00 0.00 C ATOM 1207 C ALA A 81 3.327 0.337 6.137 1.00 0.00 C ATOM 1208 O ALA A 81 2.793 1.316 6.633 1.00 0.00 O ATOM 1209 CB ALA A 81 4.599 0.074 8.243 1.00 0.00 C ATOM 1210 H ALA A 81 5.705 0.964 5.450 1.00 0.00 H ATOM 1211 HA ALA A 81 4.547 -1.330 6.658 1.00 0.00 H ATOM 1212 HB1 ALA A 81 5.513 -0.295 8.678 1.00 0.00 H ATOM 1213 HB2 ALA A 81 3.752 -0.390 8.727 1.00 0.00 H ATOM 1214 HB3 ALA A 81 4.544 1.145 8.370 1.00 0.00 H ATOM 1215 N CYS A 82 2.860 -0.256 5.053 1.00 0.00 N ATOM 1216 CA CYS A 82 1.665 0.241 4.380 1.00 0.00 C ATOM 1217 C CYS A 82 0.399 -0.238 5.090 1.00 0.00 C ATOM 1218 O CYS A 82 0.232 -1.431 5.341 1.00 0.00 O ATOM 1219 CB CYS A 82 1.648 -0.207 2.916 1.00 0.00 C ATOM 1220 SG CYS A 82 2.268 1.045 1.743 1.00 0.00 S ATOM 1221 H CYS A 82 3.325 -1.042 4.701 1.00 0.00 H ATOM 1222 HA CYS A 82 1.695 1.319 4.418 1.00 0.00 H ATOM 1223 HB2 CYS A 82 2.264 -1.088 2.811 1.00 0.00 H ATOM 1224 HB3 CYS A 82 0.634 -0.449 2.634 1.00 0.00 H ATOM 1225 N HIS A 83 -0.489 0.702 5.414 1.00 0.00 N ATOM 1226 CA HIS A 83 -1.737 0.371 6.096 1.00 0.00 C ATOM 1227 C HIS A 83 -2.945 0.908 5.334 1.00 0.00 C ATOM 1228 O HIS A 83 -3.188 2.114 5.313 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.742 0.934 7.514 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.664 2.428 7.567 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.644 3.215 8.137 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.713 3.282 7.120 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.299 4.486 8.037 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.132 4.553 7.425 1.00 0.00 N ATOM 1235 H HIS A 83 -0.301 1.638 5.189 1.00 0.00 H ATOM 1236 HA HIS A 83 -1.806 -0.703 6.151 1.00 0.00 H ATOM 1237 HB2 HIS A 83 -2.654 0.631 8.006 1.00 0.00 H ATOM 1238 HB3 HIS A 83 -0.897 0.534 8.053 1.00 0.00 H ATOM 1239 HD1 HIS A 83 -3.472 2.889 8.549 1.00 0.00 H ATOM 1240 HD2 HIS A 83 0.205 3.013 6.619 1.00 0.00 H ATOM 1241 HE1 HIS A 83 -2.871 5.327 8.401 1.00 0.00 H ATOM 1242 HE2 HIS A 83 -0.636 5.377 7.239 1.00 0.00 H ATOM 1243 N CYS A 84 -3.706 0.006 4.722 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.896 0.401 3.971 1.00 0.00 C ATOM 1245 C CYS A 84 -6.106 0.490 4.892 1.00 0.00 C ATOM 1246 O CYS A 84 -6.663 -0.527 5.305 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.174 -0.582 2.827 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.524 -2.287 3.362 1.00 0.00 S ATOM 1249 H CYS A 84 -3.468 -0.941 4.787 1.00 0.00 H ATOM 1250 HA CYS A 84 -4.709 1.379 3.554 1.00 0.00 H ATOM 1251 HB2 CYS A 84 -6.031 -0.235 2.268 1.00 0.00 H ATOM 1252 HB3 CYS A 84 -4.316 -0.611 2.172 1.00 0.00 H ATOM 1253 N SER A 85 -6.500 1.719 5.210 1.00 0.00 N ATOM 1254 CA SER A 85 -7.638 1.968 6.088 1.00 0.00 C ATOM 1255 C SER A 85 -7.478 3.314 6.786 1.00 0.00 C ATOM 1256 O SER A 85 -6.709 4.164 6.339 1.00 0.00 O ATOM 1257 CB SER A 85 -7.772 0.851 7.128 1.00 0.00 C ATOM 1258 OG SER A 85 -8.685 1.207 8.150 1.00 0.00 O ATOM 1259 H SER A 85 -6.006 2.485 4.844 1.00 0.00 H ATOM 1260 HA SER A 85 -8.529 1.994 5.480 1.00 0.00 H ATOM 1261 HB2 SER A 85 -8.128 -0.048 6.646 1.00 0.00 H ATOM 1262 HB3 SER A 85 -6.807 0.661 7.574 1.00 0.00 H ATOM 1263 HG SER A 85 -8.715 0.510 8.811 1.00 0.00 H ATOM 1264 N THR A 86 -8.202 3.503 7.884 1.00 0.00 N ATOM 1265 CA THR A 86 -8.130 4.749 8.636 1.00 0.00 C ATOM 1266 C THR A 86 -7.911 5.928 7.695 1.00 0.00 C ATOM 1267 O THR A 86 -6.948 6.683 7.838 1.00 0.00 O ATOM 1268 CB THR A 86 -7.000 4.686 9.665 1.00 0.00 C ATOM 1269 OG1 THR A 86 -6.634 3.341 9.924 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.360 5.329 10.985 1.00 0.00 C ATOM 1271 H THR A 86 -8.797 2.789 8.196 1.00 0.00 H ATOM 1272 HA THR A 86 -9.069 4.883 9.152 1.00 0.00 H ATOM 1273 HB THR A 86 -6.138 5.201 9.269 1.00 0.00 H ATOM 1274 HG1 THR A 86 -6.277 2.946 9.126 1.00 0.00 H ATOM 1275 HG21 THR A 86 -8.039 6.150 10.813 1.00 0.00 H ATOM 1276 HG22 THR A 86 -7.834 4.598 11.625 1.00 0.00 H ATOM 1277 HG23 THR A 86 -6.464 5.697 11.463 1.00 0.00 H ATOM 1278 N CYS A 87 -8.809 6.074 6.727 1.00 0.00 N ATOM 1279 CA CYS A 87 -8.720 7.152 5.751 1.00 0.00 C ATOM 1280 C CYS A 87 -9.262 8.462 6.318 1.00 0.00 C ATOM 1281 O CYS A 87 -9.548 9.399 5.573 1.00 0.00 O ATOM 1282 CB CYS A 87 -9.487 6.775 4.484 1.00 0.00 C ATOM 1283 SG CYS A 87 -8.872 7.584 2.972 1.00 0.00 S ATOM 1284 H CYS A 87 -9.551 5.435 6.665 1.00 0.00 H ATOM 1285 HA CYS A 87 -7.677 7.286 5.502 1.00 0.00 H ATOM 1286 HB2 CYS A 87 -9.418 5.708 4.336 1.00 0.00 H ATOM 1287 HB3 CYS A 87 -10.525 7.050 4.606 1.00 0.00 H ATOM 1288 N TYR A 88 -9.401 8.523 7.640 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.908 9.720 8.299 1.00 0.00 C ATOM 1290 C TYR A 88 -9.839 9.576 9.816 1.00 0.00 C ATOM 1291 O TYR A 88 -9.183 8.673 10.335 1.00 0.00 O ATOM 1292 CB TYR A 88 -11.348 9.998 7.865 1.00 0.00 C ATOM 1293 CG TYR A 88 -11.517 11.291 7.096 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -10.596 12.327 7.221 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -12.597 11.474 6.243 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -10.750 13.505 6.517 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -12.756 12.650 5.535 1.00 0.00 C ATOM 1298 CZ TYR A 88 -11.831 13.662 5.675 1.00 0.00 C ATOM 1299 OH TYR A 88 -11.985 14.834 4.971 1.00 0.00 O ATOM 1300 H TYR A 88 -9.156 7.747 8.183 1.00 0.00 H ATOM 1301 HA TYR A 88 -9.284 10.549 8.002 1.00 0.00 H ATOM 1302 HB2 TYR A 88 -11.686 9.192 7.232 1.00 0.00 H ATOM 1303 HB3 TYR A 88 -11.978 10.047 8.742 1.00 0.00 H ATOM 1304 HD1 TYR A 88 -9.751 12.202 7.880 1.00 0.00 H ATOM 1305 HD2 TYR A 88 -13.321 10.679 6.136 1.00 0.00 H ATOM 1306 HE1 TYR A 88 -10.024 14.297 6.626 1.00 0.00 H ATOM 1307 HE2 TYR A 88 -13.604 12.774 4.878 1.00 0.00 H ATOM 1308 HH TYR A 88 -11.485 14.784 4.153 1.00 0.00 H ATOM 1309 N TYR A 89 -10.520 10.474 10.521 1.00 0.00 N ATOM 1310 CA TYR A 89 -10.535 10.451 11.979 1.00 0.00 C ATOM 1311 C TYR A 89 -11.964 10.431 12.511 1.00 0.00 C ATOM 1312 O TYR A 89 -12.882 10.952 11.877 1.00 0.00 O ATOM 1313 CB TYR A 89 -9.791 11.666 12.537 1.00 0.00 C ATOM 1314 CG TYR A 89 -8.689 11.309 13.508 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -7.424 10.953 13.055 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -8.913 11.326 14.879 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -6.415 10.625 13.941 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -7.910 11.000 15.771 1.00 0.00 C ATOM 1319 CZ TYR A 89 -6.664 10.650 15.297 1.00 0.00 C ATOM 1320 OH TYR A 89 -5.661 10.324 16.183 1.00 0.00 O ATOM 1321 H TYR A 89 -11.021 11.172 10.049 1.00 0.00 H ATOM 1322 HA TYR A 89 -10.030 9.552 12.302 1.00 0.00 H ATOM 1323 HB2 TYR A 89 -9.348 12.215 11.719 1.00 0.00 H ATOM 1324 HB3 TYR A 89 -10.495 12.303 13.053 1.00 0.00 H ATOM 1325 HD1 TYR A 89 -7.233 10.935 11.991 1.00 0.00 H ATOM 1326 HD2 TYR A 89 -9.891 11.600 15.246 1.00 0.00 H ATOM 1327 HE1 TYR A 89 -5.438 10.352 13.569 1.00 0.00 H ATOM 1328 HE2 TYR A 89 -8.106 11.019 16.833 1.00 0.00 H ATOM 1329 HH TYR A 89 -5.793 10.800 17.006 1.00 0.00 H ATOM 1330 N HIS A 90 -12.143 9.833 13.685 1.00 0.00 N ATOM 1331 CA HIS A 90 -13.458 9.752 14.311 1.00 0.00 C ATOM 1332 C HIS A 90 -13.508 10.627 15.559 1.00 0.00 C ATOM 1333 O HIS A 90 -12.566 11.365 15.846 1.00 0.00 O ATOM 1334 CB HIS A 90 -13.790 8.302 14.664 1.00 0.00 C ATOM 1335 CG HIS A 90 -12.590 7.410 14.724 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -12.333 6.432 13.787 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -11.572 7.352 15.615 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -11.212 5.809 14.100 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -10.729 6.349 15.203 1.00 0.00 N ATOM 1340 H HIS A 90 -11.370 9.442 14.143 1.00 0.00 H ATOM 1341 HA HIS A 90 -14.186 10.117 13.601 1.00 0.00 H ATOM 1342 HB2 HIS A 90 -14.273 8.274 15.629 1.00 0.00 H ATOM 1343 HB3 HIS A 90 -14.464 7.903 13.920 1.00 0.00 H ATOM 1344 HD1 HIS A 90 -12.891 6.226 13.007 1.00 0.00 H ATOM 1345 HD2 HIS A 90 -11.444 7.980 16.485 1.00 0.00 H ATOM 1346 HE1 HIS A 90 -10.765 4.997 13.545 1.00 0.00 H ATOM 1347 HE2 HIS A 90 -9.954 6.017 15.701 1.00 0.00 H ATOM 1348 N LYS A 91 -14.610 10.549 16.296 1.00 0.00 N ATOM 1349 CA LYS A 91 -14.770 11.346 17.507 1.00 0.00 C ATOM 1350 C LYS A 91 -14.491 12.817 17.219 1.00 0.00 C ATOM 1351 O LYS A 91 -15.401 13.574 16.880 1.00 0.00 O ATOM 1352 CB LYS A 91 -13.831 10.842 18.607 1.00 0.00 C ATOM 1353 CG LYS A 91 -13.739 11.777 19.803 1.00 0.00 C ATOM 1354 CD LYS A 91 -14.971 11.671 20.686 1.00 0.00 C ATOM 1355 CE LYS A 91 -14.752 10.709 21.844 1.00 0.00 C ATOM 1356 NZ LYS A 91 -15.238 11.273 23.134 1.00 0.00 N ATOM 1357 H LYS A 91 -15.333 9.949 16.017 1.00 0.00 H ATOM 1358 HA LYS A 91 -15.791 11.244 17.841 1.00 0.00 H ATOM 1359 HB2 LYS A 91 -14.184 9.882 18.954 1.00 0.00 H ATOM 1360 HB3 LYS A 91 -12.840 10.724 18.193 1.00 0.00 H ATOM 1361 HG2 LYS A 91 -12.867 11.517 20.384 1.00 0.00 H ATOM 1362 HG3 LYS A 91 -13.647 12.792 19.447 1.00 0.00 H ATOM 1363 HD2 LYS A 91 -15.200 12.649 21.084 1.00 0.00 H ATOM 1364 HD3 LYS A 91 -15.800 11.320 20.089 1.00 0.00 H ATOM 1365 HE2 LYS A 91 -15.286 9.792 21.640 1.00 0.00 H ATOM 1366 HE3 LYS A 91 -13.695 10.500 21.928 1.00 0.00 H ATOM 1367 HZ1 LYS A 91 -14.843 12.225 23.281 1.00 0.00 H ATOM 1368 HZ2 LYS A 91 -16.276 11.340 23.126 1.00 0.00 H ATOM 1369 HZ3 LYS A 91 -14.946 10.663 23.924 1.00 0.00 H ATOM 1370 N SER A 92 -13.223 13.208 17.353 1.00 0.00 N ATOM 1371 CA SER A 92 -12.797 14.585 17.106 1.00 0.00 C ATOM 1372 C SER A 92 -13.986 15.508 16.857 1.00 0.00 C ATOM 1373 O SER A 92 -14.406 16.202 17.807 1.00 0.00 O ATOM 1374 CB SER A 92 -11.844 14.630 15.909 1.00 0.00 C ATOM 1375 OG SER A 92 -11.236 13.368 15.693 1.00 0.00 O ATOM 1376 OXT SER A 92 -14.488 15.530 15.713 1.00 0.00 O ATOM 1377 H SER A 92 -12.551 12.547 17.622 1.00 0.00 H ATOM 1378 HA SER A 92 -12.270 14.928 17.983 1.00 0.00 H ATOM 1379 HB2 SER A 92 -12.395 14.907 15.023 1.00 0.00 H ATOM 1380 HB3 SER A 92 -11.069 15.360 16.094 1.00 0.00 H ATOM 1381 HG SER A 92 -11.399 13.084 14.791 1.00 0.00 H TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.930 0.066 2.063 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.393 -0.203 2.390 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.658 -1.701 2.446 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.658 -2.379 3.369 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.236 -2.008 2.970 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.184 -2.585 3.898 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.048 1.389 1.648 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.835 1.999 0.499 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.212 0.398 1.355 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.974 -1.927 2.936 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.815 -3.808 3.282 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.065 -0.593 2.991 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.895 -2.065 3.601 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.205 1.815 2.792 1.00 0.00 O HETATM 1397 H1 NAG A 178 12.684 -0.314 1.054 1.00 0.00 H HETATM 1398 H2 NAG A 178 14.631 0.262 3.360 1.00 0.00 H HETATM 1399 H3 NAG A 178 14.574 -2.110 1.426 1.00 0.00 H HETATM 1400 H4 NAG A 178 13.861 -2.051 4.402 1.00 0.00 H HETATM 1401 H5 NAG A 178 12.038 -2.373 1.952 1.00 0.00 H HETATM 1402 H61 NAG A 178 11.177 -3.678 3.789 1.00 0.00 H HETATM 1403 H62 NAG A 178 11.453 -2.347 4.935 1.00 0.00 H HETATM 1404 H81 NAG A 178 16.294 1.863 -0.449 1.00 0.00 H HETATM 1405 H82 NAG A 178 16.981 3.076 0.666 1.00 0.00 H HETATM 1406 H83 NAG A 178 17.820 1.521 0.413 1.00 0.00 H HETATM 1407 HN2 NAG A 178 15.136 0.092 0.428 1.00 0.00 H HETATM 1408 HO3 NAG A 178 16.607 -1.502 2.352 1.00 0.00 H HETATM 1409 HO6 NAG A 178 9.912 -1.108 3.682 1.00 0.00 H HETATM 1410 C1 NAG A 179 13.516 -4.520 4.433 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.376 -5.994 4.102 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.101 -6.786 5.363 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.160 -6.495 6.408 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.314 -4.995 6.628 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.473 -4.663 7.544 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.529 -6.558 1.923 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.392 -6.442 0.920 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.281 -6.171 3.169 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.114 -8.172 5.055 1.00 0.00 O HETATM 1420 O4 NAG A 179 13.767 -7.098 7.652 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.562 -4.304 5.384 1.00 0.00 O HETATM 1422 O6 NAG A 179 15.582 -3.261 7.752 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.621 -6.998 1.564 1.00 0.00 O HETATM 1424 H1 NAG A 179 12.583 -4.138 4.875 1.00 0.00 H HETATM 1425 H2 NAG A 179 14.310 -6.342 3.630 1.00 0.00 H HETATM 1426 H3 NAG A 179 12.106 -6.505 5.745 1.00 0.00 H HETATM 1427 H4 NAG A 179 15.116 -6.928 6.071 1.00 0.00 H HETATM 1428 H5 NAG A 179 13.386 -4.606 7.075 1.00 0.00 H HETATM 1429 H61 NAG A 179 15.321 -5.173 8.506 1.00 0.00 H HETATM 1430 H62 NAG A 179 16.399 -5.049 7.098 1.00 0.00 H HETATM 1431 H81 NAG A 179 11.764 -6.623 -0.098 1.00 0.00 H HETATM 1432 H82 NAG A 179 10.609 -7.178 1.145 1.00 0.00 H HETATM 1433 H83 NAG A 179 10.951 -5.436 0.960 1.00 0.00 H HETATM 1434 HN2 NAG A 179 11.389 -5.833 3.395 1.00 0.00 H HETATM 1435 HO3 NAG A 179 13.975 -8.414 4.708 1.00 0.00 H HETATM 1436 HO6 NAG A 179 15.719 -2.824 6.908 1.00 0.00 H HETATM 1437 C1 BMA A 180 14.710 -7.895 8.271 1.00 0.00 C HETATM 1438 C2 BMA A 180 14.399 -7.976 9.755 1.00 0.00 C HETATM 1439 C3 BMA A 180 15.349 -8.939 10.444 1.00 0.00 C HETATM 1440 C4 BMA A 180 15.345 -10.282 9.737 1.00 0.00 C HETATM 1441 C5 BMA A 180 15.612 -10.106 8.249 1.00 0.00 C HETATM 1442 C6 BMA A 180 15.484 -11.397 7.483 1.00 0.00 C HETATM 1443 O2 BMA A 180 13.066 -8.434 9.927 1.00 0.00 O HETATM 1444 O3 BMA A 180 14.931 -9.122 11.809 1.00 0.00 O HETATM 1445 O4 BMA A 180 16.358 -11.103 10.299 1.00 0.00 O HETATM 1446 O5 BMA A 180 14.676 -9.186 7.655 1.00 0.00 O HETATM 1447 O6 BMA A 180 15.856 -11.180 6.111 1.00 0.00 O HETATM 1448 H1 BMA A 180 15.717 -7.475 8.116 1.00 0.00 H HETATM 1449 H2 BMA A 180 14.496 -6.966 10.187 1.00 0.00 H HETATM 1450 H3 BMA A 180 16.362 -8.505 10.427 1.00 0.00 H HETATM 1451 H4 BMA A 180 14.363 -10.759 9.892 1.00 0.00 H HETATM 1452 H5 BMA A 180 16.632 -9.716 8.110 1.00 0.00 H HETATM 1453 H61 BMA A 180 14.446 -11.752 7.546 1.00 0.00 H HETATM 1454 H62 BMA A 180 16.137 -12.153 7.940 1.00 0.00 H HETATM 1455 HO2 BMA A 180 12.992 -9.330 9.591 1.00 0.00 H HETATM 1456 HO4 BMA A 180 16.198 -11.208 11.239 1.00 0.00 H HETATM 1457 C1 MAN A 181 15.697 -8.444 12.761 1.00 0.00 C HETATM 1458 C2 MAN A 181 15.188 -8.820 14.144 1.00 0.00 C HETATM 1459 C3 MAN A 181 13.797 -8.256 14.377 1.00 0.00 C HETATM 1460 C4 MAN A 181 13.780 -6.762 14.108 1.00 0.00 C HETATM 1461 C5 MAN A 181 14.334 -6.462 12.721 1.00 0.00 C HETATM 1462 C6 MAN A 181 14.474 -4.975 12.465 1.00 0.00 C HETATM 1463 O2 MAN A 181 16.076 -8.279 15.140 1.00 0.00 O HETATM 1464 O3 MAN A 181 13.418 -8.493 15.725 1.00 0.00 O HETATM 1465 O4 MAN A 181 12.443 -6.289 14.190 1.00 0.00 O HETATM 1466 O5 MAN A 181 15.645 -7.035 12.556 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.346 -4.370 13.409 1.00 0.00 O HETATM 1468 H1 MAN A 181 16.752 -8.747 12.650 1.00 0.00 H HETATM 1469 H2 MAN A 181 15.169 -9.918 14.228 1.00 0.00 H HETATM 1470 H3 MAN A 181 13.091 -8.770 13.703 1.00 0.00 H HETATM 1471 H4 MAN A 181 14.389 -6.258 14.877 1.00 0.00 H HETATM 1472 H5 MAN A 181 13.659 -6.891 11.963 1.00 0.00 H HETATM 1473 H61 MAN A 181 13.480 -4.511 12.522 1.00 0.00 H HETATM 1474 H62 MAN A 181 14.860 -4.826 11.447 1.00 0.00 H HETATM 1475 HO3 MAN A 181 12.515 -8.196 15.858 1.00 0.00 H HETATM 1476 HO4 MAN A 181 12.095 -6.473 15.066 1.00 0.00 H HETATM 1477 HO6 MAN A 181 14.976 -4.467 14.290 1.00 0.00 H HETATM 1478 C1 MAN A 182 15.801 -12.365 5.388 1.00 0.00 C HETATM 1479 C2 MAN A 182 16.418 -12.128 4.015 1.00 0.00 C HETATM 1480 C3 MAN A 182 15.531 -11.229 3.165 1.00 0.00 C HETATM 1481 C4 MAN A 182 14.113 -11.770 3.125 1.00 0.00 C HETATM 1482 C5 MAN A 182 13.589 -11.974 4.537 1.00 0.00 C HETATM 1483 C6 MAN A 182 12.215 -12.611 4.560 1.00 0.00 C HETATM 1484 O2 MAN A 182 16.560 -13.391 3.355 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.050 -11.180 1.844 1.00 0.00 O HETATM 1486 O4 MAN A 182 13.277 -10.848 2.438 1.00 0.00 O HETATM 1487 O5 MAN A 182 14.462 -12.839 5.282 1.00 0.00 O HETATM 1488 O6 MAN A 182 12.235 -13.902 3.969 1.00 0.00 O HETATM 1489 H1 MAN A 182 16.372 -13.135 5.931 1.00 0.00 H HETATM 1490 H2 MAN A 182 17.411 -11.667 4.144 1.00 0.00 H HETATM 1491 H3 MAN A 182 15.540 -10.215 3.597 1.00 0.00 H HETATM 1492 H4 MAN A 182 14.118 -12.727 2.578 1.00 0.00 H HETATM 1493 H5 MAN A 182 13.532 -10.998 5.044 1.00 0.00 H HETATM 1494 H61 MAN A 182 11.514 -11.962 4.017 1.00 0.00 H HETATM 1495 H62 MAN A 182 11.873 -12.680 5.603 1.00 0.00 H HETATM 1496 HO3 MAN A 182 16.062 -12.065 1.473 1.00 0.00 H HETATM 1497 HO4 MAN A 182 13.257 -10.018 2.919 1.00 0.00 H HETATM 1498 HO6 MAN A 182 12.856 -14.457 4.445 1.00 0.00 H HETATM 1499 C1 NAG A 183 17.770 -14.045 3.514 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.698 -15.377 2.769 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.030 -16.096 2.842 1.00 0.00 C HETATM 1502 C4 NAG A 183 20.149 -15.184 2.373 1.00 0.00 C HETATM 1503 C5 NAG A 183 20.090 -13.844 3.091 1.00 0.00 C HETATM 1504 C6 NAG A 183 21.096 -12.851 2.549 1.00 0.00 C HETATM 1505 C7 NAG A 183 15.496 -16.333 2.785 1.00 0.00 C HETATM 1506 C8 NAG A 183 14.338 -16.819 3.641 1.00 0.00 C HETATM 1507 N2 NAG A 183 16.673 -16.199 3.383 1.00 0.00 N HETATM 1508 O3 NAG A 183 18.983 -17.246 2.010 1.00 0.00 O HETATM 1509 O4 NAG A 183 21.430 -15.799 2.640 1.00 0.00 O HETATM 1510 O5 NAG A 183 18.793 -13.239 2.946 1.00 0.00 O HETATM 1511 O6 NAG A 183 20.975 -11.591 3.193 1.00 0.00 O HETATM 1512 O7 NAG A 183 15.316 -16.083 1.593 1.00 0.00 O HETATM 1513 H1 NAG A 183 17.991 -14.194 4.584 1.00 0.00 H HETATM 1514 H2 NAG A 183 17.428 -15.182 1.718 1.00 0.00 H HETATM 1515 H3 NAG A 183 19.204 -16.405 3.884 1.00 0.00 H HETATM 1516 H4 NAG A 183 20.038 -15.034 1.286 1.00 0.00 H HETATM 1517 H5 NAG A 183 20.290 -14.001 4.162 1.00 0.00 H HETATM 1518 H61 NAG A 183 20.937 -12.738 1.468 1.00 0.00 H HETATM 1519 H62 NAG A 183 22.108 -13.252 2.702 1.00 0.00 H HETATM 1520 H81 NAG A 183 14.714 -17.403 4.492 1.00 0.00 H HETATM 1521 H82 NAG A 183 13.665 -17.454 3.049 1.00 0.00 H HETATM 1522 H83 NAG A 183 13.766 -15.965 4.027 1.00 0.00 H HETATM 1523 HN2 NAG A 183 16.743 -16.419 4.335 1.00 0.00 H HETATM 1524 HO3 NAG A 183 18.824 -16.976 1.102 1.00 0.00 H HETATM 1525 HO6 NAG A 183 20.086 -11.252 3.063 1.00 0.00 H HETATM 1526 C1 NAG A 184 17.058 -9.128 15.624 1.00 0.00 C HETATM 1527 C2 NAG A 184 17.454 -8.681 17.031 1.00 0.00 C HETATM 1528 C3 NAG A 184 18.463 -9.646 17.625 1.00 0.00 C HETATM 1529 C4 NAG A 184 17.937 -11.065 17.560 1.00 0.00 C HETATM 1530 C5 NAG A 184 17.489 -11.405 16.146 1.00 0.00 C HETATM 1531 C6 NAG A 184 16.828 -12.765 16.057 1.00 0.00 C HETATM 1532 C7 NAG A 184 17.465 -6.348 17.625 1.00 0.00 C HETATM 1533 C8 NAG A 184 18.129 -4.985 17.520 1.00 0.00 C HETATM 1534 N2 NAG A 184 18.034 -7.356 16.972 1.00 0.00 N HETATM 1535 O3 NAG A 184 18.697 -9.295 18.981 1.00 0.00 O HETATM 1536 O4 NAG A 184 18.986 -11.974 17.951 1.00 0.00 O HETATM 1537 O5 NAG A 184 16.526 -10.449 15.667 1.00 0.00 O HETATM 1538 O6 NAG A 184 17.743 -13.805 16.367 1.00 0.00 O HETATM 1539 O7 NAG A 184 16.441 -6.481 18.294 1.00 0.00 O HETATM 1540 H1 NAG A 184 17.927 -9.132 14.947 1.00 0.00 H HETATM 1541 H2 NAG A 184 16.548 -8.649 17.657 1.00 0.00 H HETATM 1542 H3 NAG A 184 19.404 -9.563 17.058 1.00 0.00 H HETATM 1543 H4 NAG A 184 17.092 -11.155 18.258 1.00 0.00 H HETATM 1544 H5 NAG A 184 18.366 -11.391 15.478 1.00 0.00 H HETATM 1545 H61 NAG A 184 16.434 -12.902 15.041 1.00 0.00 H HETATM 1546 H62 NAG A 184 15.979 -12.792 16.754 1.00 0.00 H HETATM 1547 H81 NAG A 184 19.148 -5.025 17.930 1.00 0.00 H HETATM 1548 H82 NAG A 184 17.553 -4.236 18.082 1.00 0.00 H HETATM 1549 H83 NAG A 184 18.186 -4.668 16.470 1.00 0.00 H HETATM 1550 HN2 NAG A 184 18.850 -7.196 16.453 1.00 0.00 H HETATM 1551 HO3 NAG A 184 17.877 -9.372 19.475 1.00 0.00 H HETATM 1552 HO6 NAG A 184 18.453 -13.808 15.720 1.00 0.00 H HETATM 1553 C1 GAL A 185 18.872 -12.549 19.209 1.00 0.00 C HETATM 1554 C2 GAL A 185 17.689 -13.510 19.236 1.00 0.00 C HETATM 1555 C3 GAL A 185 17.629 -14.242 20.564 1.00 0.00 C HETATM 1556 C4 GAL A 185 18.967 -14.889 20.874 1.00 0.00 C HETATM 1557 C5 GAL A 185 20.090 -13.867 20.780 1.00 0.00 C HETATM 1558 C6 GAL A 185 21.457 -14.493 20.969 1.00 0.00 C HETATM 1559 O2 GAL A 185 16.486 -12.779 19.057 1.00 0.00 O HETATM 1560 O3 GAL A 185 16.629 -15.248 20.497 1.00 0.00 O HETATM 1561 O4 GAL A 185 19.204 -15.928 19.938 1.00 0.00 O HETATM 1562 O5 GAL A 185 20.101 -13.233 19.488 1.00 0.00 O HETATM 1563 O6 GAL A 185 21.695 -15.511 20.007 1.00 0.00 O HETATM 1564 H1 GAL A 185 18.747 -11.764 19.971 1.00 0.00 H HETATM 1565 H2 GAL A 185 17.801 -14.231 18.411 1.00 0.00 H HETATM 1566 H3 GAL A 185 17.367 -13.517 21.353 1.00 0.00 H HETATM 1567 H4 GAL A 185 18.927 -15.316 21.889 1.00 0.00 H HETATM 1568 H5 GAL A 185 19.943 -13.098 21.554 1.00 0.00 H HETATM 1569 H61 GAL A 185 21.516 -14.914 21.983 1.00 0.00 H HETATM 1570 H62 GAL A 185 22.221 -13.708 20.881 1.00 0.00 H HETATM 1571 HO2 GAL A 185 16.396 -12.138 19.767 1.00 0.00 H HETATM 1572 HO3 GAL A 185 16.578 -15.702 21.341 1.00 0.00 H HETATM 1573 HO4 GAL A 185 19.229 -15.559 19.052 1.00 0.00 H HETATM 1574 HO6 GAL A 185 21.024 -16.192 20.093 1.00 0.00 H HETATM 1575 C1 GAL A 186 21.518 -16.646 3.740 1.00 0.00 C HETATM 1576 C2 GAL A 186 21.080 -15.907 5.001 1.00 0.00 C HETATM 1577 C3 GAL A 186 21.053 -16.852 6.192 1.00 0.00 C HETATM 1578 C4 GAL A 186 20.245 -18.097 5.868 1.00 0.00 C HETATM 1579 C5 GAL A 186 20.736 -18.733 4.576 1.00 0.00 C HETATM 1580 C6 GAL A 186 19.893 -19.920 4.155 1.00 0.00 C HETATM 1581 O2 GAL A 186 21.995 -14.855 5.265 1.00 0.00 O HETATM 1582 O3 GAL A 186 20.464 -16.189 7.301 1.00 0.00 O HETATM 1583 O4 GAL A 186 18.878 -17.737 5.718 1.00 0.00 O HETATM 1584 O5 GAL A 186 20.694 -17.790 3.491 1.00 0.00 O HETATM 1585 O6 GAL A 186 18.541 -19.543 3.941 1.00 0.00 O HETATM 1586 H1 GAL A 186 22.555 -17.004 3.852 1.00 0.00 H HETATM 1587 H2 GAL A 186 20.078 -15.482 4.836 1.00 0.00 H HETATM 1588 H3 GAL A 186 22.091 -17.129 6.441 1.00 0.00 H HETATM 1589 H4 GAL A 186 20.342 -18.809 6.703 1.00 0.00 H HETATM 1590 H5 GAL A 186 21.775 -19.071 4.716 1.00 0.00 H HETATM 1591 H61 GAL A 186 19.948 -20.687 4.940 1.00 0.00 H HETATM 1592 H62 GAL A 186 20.314 -20.347 3.235 1.00 0.00 H HETATM 1593 HO2 GAL A 186 22.870 -15.223 5.410 1.00 0.00 H HETATM 1594 HO3 GAL A 186 20.951 -15.383 7.486 1.00 0.00 H HETATM 1595 HO4 GAL A 186 18.563 -17.340 6.534 1.00 0.00 H HETATM 1596 HO6 GAL A 186 18.179 -19.183 4.754 1.00 0.00 H